Program PWSCF v.5.1.1 starts on 28Oct2015 at 22:49:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaCu3Se4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 35 10 1852 1065 168 Max 51 36 11 1855 1083 173 Sum 2409 1685 489 88951 51627 8121 bravais-lattice index = 14 lattice parameter (alat) = 10.6958 a.u. unit-cell volume = 1223.6178 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.695849 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no 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 = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816326 0.0816326), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938775 0.1938775), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183673 0.4183673), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0045662 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0045662 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0045662 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0045662 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0045662 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0045662 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0045662 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0045662 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0045662 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0045662 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0045662 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0045662 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0045662 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045662 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0045662 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0045662 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0045662 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0045662 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0045662 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0045662 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0045662 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0045662 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0045662 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0045662 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0045662 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0045662 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0045662 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0045662 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0045662 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0045662 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0045662 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0045662 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0045662 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0045662 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0045662 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0045662 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0045662 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0045662 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0045662 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0045662 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0045662 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0045662 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0045662 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0045662 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0045662 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0045662 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0045662 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0045662 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0045662 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0045662 k( 55) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0045662 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0045662 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0045662 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 60) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0045662 k( 61) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0045662 k( 62) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0045662 k( 63) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0045662 k( 64) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0045662 k( 65) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0045662 k( 66) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0045662 k( 67) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0045662 k( 68) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0045662 k( 69) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0045662 k( 70) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0045662 k( 71) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0045662 k( 72) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0045662 k( 73) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0045662 k( 74) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0045662 k( 75) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0045662 k( 76) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0045662 k( 77) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0045662 k( 78) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0045662 k( 79) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0045662 k( 80) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0045662 k( 81) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0045662 k( 82) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0045662 k( 83) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0045662 k( 84) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0045662 k( 85) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0045662 k( 86) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0045662 k( 87) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0045662 k( 88) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0045662 k( 89) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0045662 k( 90) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0045662 k( 91) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0045662 k( 92) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0045662 k( 93) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0045662 k( 94) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0045662 k( 95) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0045662 k( 96) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0045662 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0045662 k( 98) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 101) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0045662 k( 102) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0045662 k( 103) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0045662 k( 104) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0045662 k( 105) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0045662 k( 106) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0045662 k( 107) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 108) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0045662 k( 109) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0045662 k( 110) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0045662 k( 111) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0045662 k( 112) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0045662 k( 113) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0045662 k( 114) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 115) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0045662 k( 116) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0045662 k( 117) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0045662 k( 118) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0045662 k( 119) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0045662 k( 120) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0045662 k( 121) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 122) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0045662 k( 123) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0045662 k( 124) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0045662 k( 125) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0045662 k( 126) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0045662 k( 127) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0045662 k( 128) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 129) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0045662 k( 130) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0045662 k( 131) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0045662 k( 132) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0045662 k( 133) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0045662 k( 134) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0045662 k( 135) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 136) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0045662 k( 137) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0045662 k( 138) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0045662 k( 139) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0045662 k( 140) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0045662 k( 141) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0045662 k( 142) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 143) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0045662 k( 144) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0045662 k( 145) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0045662 k( 146) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0045662 k( 147) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0045662 k( 148) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0045662 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 150) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 151) = ( 0.4875000 0.5000000 0.4875000), wk = 0.0045662 k( 152) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0045662 k( 153) = ( 0.4625000 0.5000000 0.4625000), wk = 0.0045662 k( 154) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0045662 k( 155) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0045662 k( 156) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0045662 k( 157) = ( 0.4125000 0.5000000 0.4125000), wk = 0.0045662 k( 158) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0045662 k( 159) = ( 0.3875000 0.5000000 0.3875000), wk = 0.0045662 k( 160) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0045662 k( 161) = ( 0.3625000 0.5000000 0.3625000), wk = 0.0045662 k( 162) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0045662 k( 163) = ( 0.3375000 0.5000000 0.3375000), wk = 0.0045662 k( 164) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0045662 k( 165) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0045662 k( 166) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0045662 k( 167) = ( 0.2875000 0.5000000 0.2875000), wk = 0.0045662 k( 168) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0045662 k( 169) = ( 0.2625000 0.5000000 0.2625000), wk = 0.0045662 k( 170) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0045662 k( 171) = ( 0.2375000 0.5000000 0.2375000), wk = 0.0045662 k( 172) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0045662 k( 173) = ( 0.2125000 0.5000000 0.2125000), wk = 0.0045662 k( 174) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0045662 k( 175) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0045662 k( 176) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0045662 k( 177) = ( 0.1625000 0.5000000 0.1625000), wk = 0.0045662 k( 178) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0045662 k( 179) = ( 0.1375000 0.5000000 0.1375000), wk = 0.0045662 k( 180) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0045662 k( 181) = ( 0.1125000 0.5000000 0.1125000), wk = 0.0045662 k( 182) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0045662 k( 183) = ( 0.0875000 0.5000000 0.0875000), wk = 0.0045662 k( 184) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0045662 k( 185) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0045662 k( 186) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0045662 k( 187) = ( 0.0375000 0.5000000 0.0375000), wk = 0.0045662 k( 188) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0045662 k( 189) = ( 0.0125000 0.5000000 0.0125000), wk = 0.0045662 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045662 k( 191) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045662 k( 192) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0045662 k( 193) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0045662 k( 194) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0045662 k( 195) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0045662 k( 196) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0045662 k( 197) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0045662 k( 198) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0045662 k( 199) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0045662 k( 200) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0045662 k( 201) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0045662 k( 202) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0045662 k( 203) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0045662 k( 204) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0045662 k( 205) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0045662 k( 206) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0045662 k( 207) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0045662 k( 208) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0045662 k( 209) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0045662 k( 210) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0045662 k( 211) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0045662 k( 212) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0045662 k( 213) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0045662 k( 214) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0045662 k( 215) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0045662 k( 216) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0045662 k( 217) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0045662 k( 218) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0045662 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 Dense grid: 88951 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 51627 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 286, 84) NL pseudopotentials 0.36 Mb ( 143, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1854) G-vector shells 0.00 Mb ( 474) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 286, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.42 Mb ( 164, 2, 84) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./TaCu3Se4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.4 secs Computing kpt #: 2 total cpu time spent up to now is 56.9 secs Computing kpt #: 3 total cpu time spent up to now is 63.8 secs Computing kpt #: 4 total cpu time spent up to now is 71.5 secs Computing kpt #: 5 total cpu time spent up to now is 80.3 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.8 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.3 secs Computing kpt #: 8 total cpu time spent up to now is 108.2 secs Computing kpt #: 9 total cpu time spent up to now is 115.8 secs Computing kpt #: 10 total cpu time spent up to now is 122.7 secs Computing kpt #: 11 total cpu time spent up to now is 129.2 secs Computing kpt #: 12 total cpu time spent up to now is 135.0 secs Computing kpt #: 13 total cpu time spent up to now is 140.6 secs Computing kpt #: 14 total cpu time spent up to now is 145.8 secs Computing kpt #: 15 total cpu time spent up to now is 151.0 secs Computing kpt #: 16 total cpu time spent up to now is 155.5 secs Computing kpt #: 17 total cpu time spent up to now is 160.0 secs Computing kpt #: 18 total cpu time spent up to now is 164.4 secs Computing kpt #: 19 total cpu time spent up to now is 168.7 secs Computing kpt #: 20 total cpu time spent up to now is 173.2 secs Computing kpt #: 21 total cpu time spent up to now is 177.7 secs Computing kpt #: 22 total cpu time spent up to now is 182.4 secs Computing kpt #: 23 total cpu time spent up to now is 187.1 secs Computing kpt #: 24 total cpu time spent up to now is 191.7 secs Computing kpt #: 25 total cpu time spent up to now is 196.4 secs Computing kpt #: 26 total cpu time spent up to now is 201.0 secs Computing kpt #: 27 total cpu time spent up to now is 205.6 secs Computing kpt #: 28 total cpu time spent up to now is 210.2 secs Computing kpt #: 29 total cpu time spent up to now is 215.0 secs Computing kpt #: 30 total cpu time spent up to now is 220.1 secs Computing kpt #: 31 total cpu time spent up to now is 224.7 secs Computing kpt #: 32 total cpu time spent up to now is 229.4 secs Computing kpt #: 33 total cpu time spent up to now is 234.2 secs Computing kpt #: 34 total cpu time spent up to now is 239.2 secs Computing kpt #: 35 total cpu time spent up to now is 244.4 secs Computing kpt #: 36 total cpu time spent up to now is 249.2 secs Computing kpt #: 37 total cpu time spent up to now is 254.0 secs Computing kpt #: 38 total cpu time spent up to now is 258.8 secs Computing kpt #: 39 total cpu time spent up to now is 263.6 secs Computing kpt #: 40 total cpu time spent up to now is 268.5 secs Computing kpt #: 41 total cpu time spent up to now is 273.2 secs Computing kpt #: 42 total cpu time spent up to now is 277.8 secs Computing kpt #: 43 total cpu time spent up to now is 282.3 secs Computing kpt #: 44 total cpu time spent up to now is 287.1 secs Computing kpt #: 45 total cpu time spent up to now is 291.7 secs Computing kpt #: 46 total cpu time spent up to now is 296.1 secs Computing kpt #: 47 total cpu time spent up to now is 300.4 secs Computing kpt #: 48 total cpu time spent up to now is 304.6 secs Computing kpt #: 49 total cpu time spent up to now is 308.6 secs Computing kpt #: 50 total cpu time spent up to now is 312.7 secs Computing kpt #: 51 total cpu time spent up to now is 316.8 secs Computing kpt #: 52 total cpu time spent up to now is 320.9 secs Computing kpt #: 53 total cpu time spent up to now is 325.1 secs Computing kpt #: 54 total cpu time spent up to now is 329.2 secs Computing kpt #: 55 total cpu time spent up to now is 333.4 secs Computing kpt #: 56 total cpu time spent up to now is 337.5 secs Computing kpt #: 57 total cpu time spent up to now is 341.8 secs Computing kpt #: 58 total cpu time spent up to now is 345.9 secs Computing kpt #: 59 total cpu time spent up to now is 350.0 secs Computing kpt #: 60 total cpu time spent up to now is 354.1 secs Computing kpt #: 61 total cpu time spent up to now is 358.4 secs Computing kpt #: 62 total cpu time spent up to now is 362.5 secs Computing kpt #: 63 total cpu time spent up to now is 366.6 secs Computing kpt #: 64 total cpu time spent up to now is 370.7 secs Computing kpt #: 65 total cpu time spent up to now is 374.7 secs Computing kpt #: 66 total cpu time spent up to now is 379.0 secs Computing kpt #: 67 total cpu time spent up to now is 383.2 secs Computing kpt #: 68 total cpu time spent up to now is 387.6 secs Computing kpt #: 69 total cpu time spent up to now is 392.4 secs Computing kpt #: 70 total cpu time spent up to now is 397.2 secs Computing kpt #: 71 total cpu time spent up to now is 402.0 secs Computing kpt #: 72 total cpu time spent up to now is 407.5 secs Computing kpt #: 73 total cpu time spent up to now is 412.5 secs Computing kpt #: 74 total cpu time spent up to now is 417.4 secs Computing kpt #: 75 total cpu time spent up to now is 422.4 secs Computing kpt #: 76 total cpu time spent up to now is 427.2 secs Computing kpt #: 77 total cpu time spent up to now is 432.1 secs Computing kpt #: 78 total cpu time spent up to now is 437.0 secs Computing kpt #: 79 total cpu time spent up to now is 442.1 secs Computing kpt #: 80 total cpu time spent up to now is 447.1 secs Computing kpt #: 81 total cpu time spent up to now is 452.4 secs Computing kpt #: 82 total cpu time spent up to now is 458.0 secs Computing kpt #: 83 total cpu time spent up to now is 467.4 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.3 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.4 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 497.2 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.3 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.7 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.7 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 537.7 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 547.8 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 568.0 secs Computing kpt #: 94 total cpu time spent up to now is 576.2 secs Computing kpt #: 95 total cpu time spent up to now is 584.3 secs Computing kpt #: 96 total cpu time spent up to now is 592.4 secs Computing kpt #: 97 total cpu time spent up to now is 599.5 secs Computing kpt #: 98 total cpu time spent up to now is 606.3 secs Computing kpt #: 99 total cpu time spent up to now is 612.8 secs Computing kpt #: 100 total cpu time spent up to now is 619.1 secs Computing kpt #: 101 total cpu time spent up to now is 625.9 secs Computing kpt #: 102 total cpu time spent up to now is 633.5 secs Computing kpt #: 103 total cpu time spent up to now is 641.3 secs Computing kpt #: 104 total cpu time spent up to now is 648.8 secs Computing kpt #: 105 total cpu time spent up to now is 656.8 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 666.3 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 675.8 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 685.6 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 695.1 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 704.9 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 714.4 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 724.1 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 733.8 secs Computing kpt #: 114 total cpu time spent up to now is 742.7 secs Computing kpt #: 115 total cpu time spent up to now is 750.3 secs Computing kpt #: 116 total cpu time spent up to now is 756.9 secs Computing kpt #: 117 total cpu time spent up to now is 763.7 secs Computing kpt #: 118 total cpu time spent up to now is 770.2 secs Computing kpt #: 119 total cpu time spent up to now is 776.9 secs Computing kpt #: 120 total cpu time spent up to now is 782.5 secs Computing kpt #: 121 total cpu time spent up to now is 788.3 secs Computing kpt #: 122 total cpu time spent up to now is 794.3 secs Computing kpt #: 123 total cpu time spent up to now is 802.4 secs Computing kpt #: 124 total cpu time spent up to now is 807.2 secs Computing kpt #: 125 total cpu time spent up to now is 811.9 secs Computing kpt #: 126 total cpu time spent up to now is 817.2 secs Computing kpt #: 127 total cpu time spent up to now is 821.7 secs Computing kpt #: 128 total cpu time spent up to now is 826.2 secs Computing kpt #: 129 total cpu time spent up to now is 830.8 secs Computing kpt #: 130 total cpu time spent up to now is 835.4 secs Computing kpt #: 131 total cpu time spent up to now is 839.8 secs Computing kpt #: 132 total cpu time spent up to now is 844.3 secs Computing kpt #: 133 total cpu time spent up to now is 848.6 secs Computing kpt #: 134 total cpu time spent up to now is 853.0 secs Computing kpt #: 135 total cpu time spent up to now is 857.6 secs Computing kpt #: 136 total cpu time spent up to now is 862.1 secs Computing kpt #: 137 total cpu time spent up to now is 866.5 secs Computing kpt #: 138 total cpu time spent up to now is 870.8 secs Computing kpt #: 139 total cpu time spent up to now is 875.1 secs Computing kpt #: 140 total cpu time spent up to now is 879.5 secs Computing kpt #: 141 total cpu time spent up to now is 883.8 secs Computing kpt #: 142 total cpu time spent up to now is 888.2 secs Computing kpt #: 143 total cpu time spent up to now is 892.6 secs Computing kpt #: 144 total cpu time spent up to now is 896.9 secs Computing kpt #: 145 total cpu time spent up to now is 901.2 secs Computing kpt #: 146 total cpu time spent up to now is 905.6 secs Computing kpt #: 147 total cpu time spent up to now is 910.2 secs Computing kpt #: 148 total cpu time spent up to now is 914.4 secs Computing kpt #: 149 total cpu time spent up to now is 918.4 secs Computing kpt #: 150 total cpu time spent up to now is 922.5 secs Computing kpt #: 151 total cpu time spent up to now is 926.8 secs Computing kpt #: 152 total cpu time spent up to now is 931.1 secs Computing kpt #: 153 total cpu time spent up to now is 935.5 secs Computing kpt #: 154 total cpu time spent up to now is 939.9 secs Computing kpt #: 155 total cpu time spent up to now is 944.3 secs Computing kpt #: 156 total cpu time spent up to now is 948.6 secs Computing kpt #: 157 total cpu time spent up to now is 953.0 secs Computing kpt #: 158 total cpu time spent up to now is 957.9 secs Computing kpt #: 159 total cpu time spent up to now is 962.1 secs Computing kpt #: 160 total cpu time spent up to now is 966.3 secs Computing kpt #: 161 total cpu time spent up to now is 970.4 secs Computing kpt #: 162 total cpu time spent up to now is 974.6 secs Computing kpt #: 163 total cpu time spent up to now is 978.6 secs Computing kpt #: 164 total cpu time spent up to now is 982.7 secs Computing kpt #: 165 total cpu time spent up to now is 986.8 secs Computing kpt #: 166 total cpu time spent up to now is 990.9 secs Computing kpt #: 167 total cpu time spent up to now is 995.0 secs Computing kpt #: 168 total cpu time spent up to now is 999.0 secs Computing kpt #: 169 total cpu time spent up to now is 1003.2 secs Computing kpt #: 170 total cpu time spent up to now is 1007.3 secs Computing kpt #: 171 total cpu time spent up to now is 1011.5 secs Computing kpt #: 172 total cpu time spent up to now is 1015.8 secs Computing kpt #: 173 total cpu time spent up to now is 1020.1 secs Computing kpt #: 174 total cpu time spent up to now is 1024.5 secs Computing kpt #: 175 total cpu time spent up to now is 1028.7 secs Computing kpt #: 176 total cpu time spent up to now is 1033.1 secs Computing kpt #: 177 total cpu time spent up to now is 1037.5 secs Computing kpt #: 178 total cpu time spent up to now is 1042.0 secs Computing kpt #: 179 total cpu time spent up to now is 1046.6 secs Computing kpt #: 180 total cpu time spent up to now is 1051.4 secs Computing kpt #: 181 total cpu time spent up to now is 1056.3 secs Computing kpt #: 182 total cpu time spent up to now is 1061.1 secs Computing kpt #: 183 total cpu time spent up to now is 1065.9 secs Computing kpt #: 184 total cpu time spent up to now is 1070.7 secs Computing kpt #: 185 total cpu time spent up to now is 1075.5 secs Computing kpt #: 186 total cpu time spent up to now is 1080.3 secs Computing kpt #: 187 total cpu time spent up to now is 1085.0 secs Computing kpt #: 188 total cpu time spent up to now is 1089.9 secs Computing kpt #: 189 total cpu time spent up to now is 1094.6 secs Computing kpt #: 190 total cpu time spent up to now is 1099.2 secs Computing kpt #: 191 total cpu time spent up to now is 1103.5 secs Computing kpt #: 192 total cpu time spent up to now is 1107.5 secs Computing kpt #: 193 total cpu time spent up to now is 1111.5 secs Computing kpt #: 194 total cpu time spent up to now is 1116.1 secs Computing kpt #: 195 total cpu time spent up to now is 1121.5 secs Computing kpt #: 196 total cpu time spent up to now is 1125.5 secs Computing kpt #: 197 total cpu time spent up to now is 1129.5 secs Computing kpt #: 198 total cpu time spent up to now is 1133.5 secs Computing kpt #: 199 total cpu time spent up to now is 1137.4 secs Computing kpt #: 200 total cpu time spent up to now is 1141.6 secs Computing kpt #: 201 total cpu time spent up to now is 1145.7 secs Computing kpt #: 202 total cpu time spent up to now is 1150.0 secs Computing kpt #: 203 total cpu time spent up to now is 1154.3 secs Computing kpt #: 204 total cpu time spent up to now is 1158.6 secs Computing kpt #: 205 total cpu time spent up to now is 1163.1 secs Computing kpt #: 206 total cpu time spent up to now is 1167.6 secs Computing kpt #: 207 total cpu time spent up to now is 1172.0 secs Computing kpt #: 208 total cpu time spent up to now is 1176.4 secs Computing kpt #: 209 total cpu time spent up to now is 1180.8 secs Computing kpt #: 210 total cpu time spent up to now is 1185.2 secs Computing kpt #: 211 total cpu time spent up to now is 1189.5 secs Computing kpt #: 212 total cpu time spent up to now is 1193.8 secs Computing kpt #: 213 total cpu time spent up to now is 1198.1 secs Computing kpt #: 214 total cpu time spent up to now is 1202.4 secs Computing kpt #: 215 total cpu time spent up to now is 1206.6 secs Computing kpt #: 216 total cpu time spent up to now is 1210.9 secs Computing kpt #: 217 total cpu time spent up to now is 1215.0 secs Computing kpt #: 218 total cpu time spent up to now is 1219.1 secs Computing kpt #: 219 total cpu time spent up to now is 1223.2 secs ethr = 1.43E-11, avg # of iterations = 43.8 total cpu time spent up to now is 1223.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1105 -7.1105 -6.0956 -6.0956 -6.0089 -6.0089 -6.0089 -6.0089 1.0373 1.0373 1.0373 1.0373 1.4295 1.4295 2.7496 2.7496 2.7978 2.7978 2.7978 2.7978 3.3236 3.3236 3.4319 3.4319 3.4319 3.4319 3.7965 3.7965 3.8096 3.8096 3.8096 3.8096 3.8580 3.8580 3.8580 3.8580 4.4354 4.4354 4.5545 4.5545 4.5545 4.5545 4.6731 4.6731 4.7167 4.7167 4.7167 4.7167 4.9882 4.9882 5.1200 5.1200 5.2047 5.2047 5.2047 5.2047 6.2942 6.2942 6.2942 6.2942 6.3282 6.3282 8.3956 8.3956 8.5031 8.5031 8.5031 8.5031 8.5729 8.5729 8.7120 8.7120 8.7120 8.7120 11.9060 11.9060 k = 0.0000 0.0179-0.0000 ( 6443 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1099 -7.1099 -6.0959 -6.0959 -6.0095 -6.0095 -6.0089 -6.0089 1.0375 1.0375 1.0392 1.0392 1.4306 1.4306 2.7492 2.7492 2.7968 2.7968 2.7982 2.7982 3.3229 3.3229 3.4296 3.4296 3.4325 3.4325 3.7879 3.7879 3.8045 3.8045 3.8179 3.8179 3.8547 3.8547 3.8666 3.8666 4.4347 4.4347 4.5488 4.5488 4.5593 4.5593 4.6728 4.6728 4.7145 4.7145 4.7191 4.7191 4.9885 4.9885 5.1199 5.1199 5.2010 5.2010 5.2077 5.2077 6.2916 6.2916 6.2936 6.2936 6.3267 6.3267 8.3937 8.3937 8.4898 8.4898 8.5053 8.5053 8.5912 8.5912 8.7083 8.7083 8.7220 8.7220 11.9077 11.9077 k = 0.0000 0.0357-0.0000 ( 6451 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6731 -25.6731 -7.1078 -7.1078 -6.0968 -6.0968 -6.0112 -6.0112 -6.0089 -6.0089 1.0396 1.0396 1.0436 1.0436 1.4337 1.4337 2.7478 2.7478 2.7943 2.7943 2.7991 2.7991 3.3207 3.3207 3.4251 3.4251 3.4319 3.4319 3.7697 3.7697 3.8035 3.8035 3.8230 3.8230 3.8548 3.8548 3.8804 3.8804 4.4327 4.4327 4.5425 4.5425 4.5628 4.5628 4.6720 4.6720 4.7126 4.7126 4.7216 4.7216 4.9893 4.9893 5.1195 5.1195 5.1966 5.1966 5.2100 5.2100 6.2833 6.2833 6.2918 6.2918 6.3226 6.3226 8.3862 8.3862 8.4734 8.4734 8.5085 8.5085 8.6257 8.6257 8.7092 8.7092 8.7415 8.7415 11.9128 11.9128 k = 0.0000 0.0536-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6731 -25.6731 -7.1045 -7.1045 -6.0982 -6.0982 -6.0139 -6.0139 -6.0089 -6.0089 1.0433 1.0433 1.0507 1.0507 1.4390 1.4390 2.7448 2.7448 2.7909 2.7909 2.8007 2.8007 3.3167 3.3167 3.4185 3.4185 3.4304 3.4304 3.7482 3.7482 3.8030 3.8030 3.8258 3.8258 3.8570 3.8570 3.8972 3.8972 4.4294 4.4294 4.5359 4.5359 4.5648 4.5648 4.6709 4.6709 4.7108 4.7108 4.7241 4.7241 4.9905 4.9905 5.1188 5.1188 5.1913 5.1913 5.2117 5.2117 6.2688 6.2688 6.2888 6.2888 6.3171 6.3171 8.3711 8.3711 8.4675 8.4675 8.5135 8.5135 8.6587 8.6587 8.7147 8.7147 8.7753 8.7753 11.9210 11.9210 k = 0.0000 0.0714-0.0000 ( 6475 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0998 -7.0998 -6.1005 -6.1005 -6.0175 -6.0175 -6.0089 -6.0089 1.0485 1.0485 1.0606 1.0606 1.4463 1.4463 2.7392 2.7392 2.7875 2.7875 2.8029 2.8029 3.3107 3.3107 3.4100 3.4100 3.4283 3.4283 3.7245 3.7245 3.8025 3.8025 3.8277 3.8277 3.8603 3.8603 3.9156 3.9156 4.4248 4.4248 4.5294 4.5294 4.5650 4.5650 4.6698 4.6698 4.7094 4.7094 4.7267 4.7267 4.9922 4.9922 5.1178 5.1178 5.1855 5.1855 5.2128 5.2128 6.2480 6.2480 6.2848 6.2848 6.3106 6.3106 8.3509 8.3509 8.4724 8.4724 8.5203 8.5203 8.6839 8.6839 8.7251 8.7251 8.8258 8.8258 11.9317 11.9317 k = 0.0000 0.0893-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0939 -7.0939 -6.1036 -6.1036 -6.0218 -6.0218 -6.0089 -6.0089 1.0552 1.0552 1.0732 1.0732 1.4558 1.4558 2.7301 2.7301 2.7854 2.7854 2.8058 2.8058 3.3023 3.3023 3.4004 3.4004 3.4255 3.4255 3.6990 3.6990 3.8021 3.8021 3.8294 3.8294 3.8645 3.8645 3.9347 3.9347 4.4189 4.4189 4.5230 4.5230 4.5632 4.5632 4.6686 4.6686 4.7081 4.7081 4.7292 4.7292 4.9943 4.9943 5.1164 5.1164 5.1791 5.1791 5.2136 5.2136 6.2214 6.2214 6.2798 6.2798 6.3035 6.3035 8.3293 8.3293 8.4845 8.4845 8.5286 8.5286 8.7023 8.7023 8.7411 8.7411 8.8900 8.8900 11.9431 11.9431 k = 0.0000 0.1071-0.0000 ( 6459 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0866 -7.0866 -6.1079 -6.1079 -6.0266 -6.0266 -6.0089 -6.0089 1.0633 1.0633 1.0884 1.0884 1.4673 1.4673 2.7168 2.7168 2.7849 2.7849 2.8093 2.8093 3.2907 3.2907 3.3904 3.3904 3.4220 3.4220 3.6716 3.6716 3.8015 3.8015 3.8311 3.8311 3.8693 3.8693 3.9543 3.9543 4.4119 4.4119 4.5170 4.5170 4.5594 4.5594 4.6677 4.6677 4.7070 4.7070 4.7318 4.7318 4.9967 4.9967 5.1145 5.1145 5.1725 5.1725 5.2141 5.2141 6.1900 6.1900 6.2738 6.2738 6.2955 6.2955 8.3085 8.3085 8.5015 8.5015 8.5379 8.5379 8.7178 8.7178 8.7617 8.7617 8.9639 8.9639 11.9402 11.9402 k = 0.0000 0.1250-0.0000 ( 6475 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6734 -25.6734 -25.6732 -25.6732 -7.0781 -7.0781 -6.1136 -6.1136 -6.0315 -6.0315 -6.0089 -6.0089 1.0727 1.0727 1.1062 1.1062 1.4809 1.4809 2.6998 2.6998 2.7859 2.7859 2.8132 2.8132 3.2757 3.2757 3.3809 3.3809 3.4180 3.4180 3.6423 3.6423 3.8009 3.8009 3.8330 3.8330 3.8743 3.8743 3.9741 3.9741 4.4038 4.4038 4.5112 4.5112 4.5536 4.5536 4.6667 4.6667 4.7059 4.7059 4.7341 4.7341 4.9995 4.9995 5.1122 5.1122 5.1656 5.1656 5.2145 5.2145 6.1546 6.1546 6.2670 6.2670 6.2867 6.2867 8.2892 8.2892 8.5221 8.5221 8.5481 8.5481 8.7329 8.7329 8.7859 8.7859 9.0450 9.0450 11.9230 11.9230 k = 0.0000 0.1429-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6734 -25.6734 -25.6732 -25.6732 -7.0684 -7.0684 -6.1210 -6.1210 -6.0362 -6.0362 -6.0089 -6.0089 1.0834 1.0834 1.1266 1.1266 1.4966 1.4966 2.6795 2.6795 2.7882 2.7882 2.8178 2.8178 3.2570 3.2570 3.3722 3.3722 3.4133 3.4133 3.6111 3.6111 3.8003 3.8003 3.8351 3.8351 3.8796 3.8796 3.9943 3.9943 4.3949 4.3949 4.5058 4.5058 4.5464 4.5464 4.6658 4.6658 4.7047 4.7047 4.7363 4.7363 5.0026 5.0026 5.1095 5.1095 5.1588 5.1588 5.2150 5.2150 6.1162 6.1162 6.2596 6.2596 6.2771 6.2771 8.2715 8.2715 8.5456 8.5456 8.5587 8.5587 8.7490 8.7490 8.8127 8.8127 9.1321 9.1321 11.9030 11.9030 k = 0.0000 0.1607-0.0000 ( 6455 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6735 -25.6735 -25.6732 -25.6732 -7.0575 -7.0575 -6.1301 -6.1301 -6.0405 -6.0405 -6.0089 -6.0089 1.0954 1.0954 1.1495 1.1495 1.5144 1.5144 2.6562 2.6562 2.7912 2.7912 2.8227 2.8227 3.2348 3.2348 3.3646 3.3646 3.4079 3.4079 3.5781 3.5781 3.7997 3.7997 3.8376 3.8376 3.8851 3.8851 4.0148 4.0148 4.3855 4.3855 4.5006 4.5006 4.5380 4.5380 4.6647 4.6647 4.7031 4.7031 4.7382 4.7382 5.0061 5.0061 5.1065 5.1065 5.1523 5.1523 5.2155 5.2155 6.0755 6.0755 6.2516 6.2516 6.2669 6.2669 8.2555 8.2555 8.5691 8.5691 8.5718 8.5718 8.7666 8.7666 8.8416 8.8416 9.2239 9.2239 11.8819 11.8819 k = 0.0000 0.1786-0.0000 ( 6455 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6735 -25.6735 -25.6732 -25.6732 -7.0454 -7.0454 -6.1412 -6.1412 -6.0442 -6.0442 -6.0089 -6.0089 1.1085 1.1085 1.1746 1.1746 1.5342 1.5342 2.6302 2.6302 2.7950 2.7950 2.8281 2.8281 3.2095 3.2095 3.3579 3.3579 3.4015 3.4015 3.5433 3.5433 3.7990 3.7990 3.8402 3.8402 3.8905 3.8905 4.0356 4.0356 4.3758 4.3758 4.4954 4.4954 4.5287 4.5287 4.6633 4.6633 4.7009 4.7009 4.7396 4.7396 5.0100 5.0100 5.1034 5.1034 5.1461 5.1461 5.2162 5.2162 6.0333 6.0333 6.2432 6.2432 6.2560 6.2560 8.2409 8.2409 8.5802 8.5802 8.5989 8.5989 8.7857 8.7857 8.8722 8.8722 9.3198 9.3198 11.8604 11.8604 k = 0.0000 0.1964-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6736 -25.6736 -25.6732 -25.6732 -7.0322 -7.0322 -6.1541 -6.1541 -6.0473 -6.0473 -6.0089 -6.0089 1.1227 1.1227 1.2021 1.2021 1.5561 1.5561 2.6018 2.6018 2.7991 2.7991 2.8337 2.8337 3.1817 3.1817 3.3520 3.3520 3.3938 3.3938 3.5074 3.5074 3.7983 3.7983 3.8432 3.8432 3.8957 3.8957 4.0565 4.0565 4.3660 4.3660 4.4901 4.4901 4.5189 4.5189 4.6615 4.6615 4.6979 4.6979 4.7405 4.7405 5.0143 5.0143 5.1005 5.1005 5.1404 5.1404 5.2170 5.2170 5.9902 5.9902 6.2345 6.2345 6.2446 6.2446 8.2276 8.2276 8.5908 8.5908 8.6277 8.6277 8.8061 8.8061 8.9040 8.9040 9.4190 9.4190 11.8390 11.8390 k = 0.0000 0.2143-0.0000 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6737 -25.6737 -25.6732 -25.6732 -7.0181 -7.0181 -6.1688 -6.1688 -6.0498 -6.0498 -6.0089 -6.0089 1.1378 1.1378 1.2316 1.2316 1.5799 1.5799 2.5712 2.5712 2.8037 2.8037 2.8397 2.8397 3.1519 3.1519 3.3467 3.3467 3.3835 3.3835 3.4715 3.4715 3.7975 3.7975 3.8464 3.8464 3.9009 3.9009 4.0777 4.0777 4.3563 4.3563 4.4847 4.4847 4.5091 4.5091 4.6595 4.6595 4.6940 4.6940 4.7407 4.7407 5.0191 5.0191 5.0980 5.0980 5.1352 5.1352 5.2179 5.2179 5.9467 5.9467 6.2257 6.2257 6.2329 6.2329 8.2155 8.2155 8.6012 8.6012 8.6572 8.6572 8.8276 8.8276 8.9367 8.9367 9.5208 9.5208 11.8180 11.8180 k = 0.0000 0.2321-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6738 -25.6738 -25.6732 -25.6732 -7.0029 -7.0029 -6.1850 -6.1850 -6.0518 -6.0518 -6.0089 -6.0089 1.1536 1.1536 1.2631 1.2631 1.6057 1.6057 2.5388 2.5388 2.8085 2.8085 2.8459 2.8459 3.1207 3.1207 3.3417 3.3417 3.3678 3.3678 3.4388 3.4388 3.7968 3.7968 3.8498 3.8498 3.9058 3.9058 4.0991 4.0991 4.3470 4.3470 4.4788 4.4788 4.4995 4.4995 4.6571 4.6571 4.6891 4.6891 4.7400 4.7400 5.0245 5.0245 5.0961 5.0961 5.1307 5.1307 5.2191 5.2191 5.9033 5.9033 6.2168 6.2168 6.2210 6.2210 8.2045 8.2045 8.6112 8.6112 8.6872 8.6872 8.8498 8.8498 8.9697 8.9697 9.6245 9.6245 11.7980 11.7980 k = 0.0000 0.2500-0.0000 ( 6479 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6738 -25.6738 -25.6732 -25.6732 -6.9868 -6.9868 -6.2025 -6.2025 -6.0534 -6.0534 -6.0089 -6.0089 1.1702 1.1702 1.2964 1.2964 1.6334 1.6334 2.5045 2.5045 2.8135 2.8135 2.8523 2.8523 3.0884 3.0884 3.3345 3.3345 3.3442 3.3442 3.4144 3.4144 3.7959 3.7959 3.8534 3.8534 3.9105 3.9105 4.1207 4.1207 4.3381 4.3381 4.4724 4.4724 4.4904 4.4904 4.6543 4.6543 4.6831 4.6831 4.7382 4.7382 5.0303 5.0303 5.0950 5.0950 5.1268 5.1268 5.2203 5.2203 5.8606 5.8606 6.2078 6.2078 6.2093 6.2093 8.1945 8.1945 8.6208 8.6208 8.7171 8.7171 8.8724 8.8724 9.0026 9.0026 9.7295 9.7295 11.7791 11.7791 k = 0.0000 0.2679-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6739 -25.6739 -25.6732 -25.6732 -6.9700 -6.9700 -6.2212 -6.2212 -6.0547 -6.0547 -6.0089 -6.0089 1.1872 1.1872 1.3315 1.3315 1.6628 1.6628 2.4688 2.4688 2.8187 2.8187 2.8587 2.8587 3.0557 3.0557 3.3026 3.3026 3.3349 3.3349 3.3988 3.3988 3.7952 3.7952 3.8571 3.8571 3.9149 3.9149 4.1423 4.1423 4.3297 4.3297 4.4654 4.4654 4.4822 4.4822 4.6512 4.6512 4.6765 4.6765 4.7352 4.7352 5.0365 5.0365 5.0951 5.0951 5.1237 5.1237 5.2217 5.2217 5.8187 5.8187 6.1970 6.1970 6.1996 6.1996 8.1854 8.1854 8.6301 8.6301 8.7466 8.7466 8.8949 8.8949 9.0351 9.0351 9.8350 9.8350 11.7615 11.7615 k = 0.0000 0.2857-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6740 -25.6740 -25.6732 -25.6732 -6.9525 -6.9525 -6.2408 -6.2408 -6.0556 -6.0556 -6.0089 -6.0089 1.2045 1.2045 1.3680 1.3680 1.6938 1.6938 2.4317 2.4317 2.8238 2.8238 2.8651 2.8651 3.0228 3.0228 3.2592 3.2592 3.3309 3.3309 3.3882 3.3882 3.7943 3.7943 3.8610 3.8610 3.9190 3.9190 4.1639 4.1639 4.3220 4.3220 4.4578 4.4578 4.4747 4.4747 4.6475 4.6475 4.6695 4.6695 4.7310 4.7310 5.0428 5.0428 5.0962 5.0962 5.1216 5.1216 5.2232 5.2232 5.7780 5.7780 6.1854 6.1854 6.1912 6.1912 8.1770 8.1770 8.6390 8.6390 8.7753 8.7753 8.9171 8.9171 9.0666 9.0666 9.9404 9.9404 11.7455 11.7455 k = 0.0000 0.3036-0.0000 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6740 -25.6740 -25.6732 -25.6732 -6.9344 -6.9344 -6.2610 -6.2610 -6.0564 -6.0564 -6.0089 -6.0089 1.2219 1.2219 1.4058 1.4058 1.7262 1.7262 2.3936 2.3936 2.8290 2.8290 2.8714 2.8714 2.9903 2.9903 3.2120 3.2120 3.3276 3.3276 3.3798 3.3798 3.7935 3.7935 3.8650 3.8650 3.9228 3.9228 4.1855 4.1855 4.3149 4.3149 4.4499 4.4499 4.4680 4.4680 4.6430 4.6430 4.6626 4.6626 4.7255 4.7255 5.0490 5.0490 5.0979 5.0979 5.1210 5.1210 5.2249 5.2249 5.7388 5.7388 6.1742 6.1742 6.1832 6.1832 8.1695 8.1695 8.6476 8.6476 8.8029 8.8029 8.9384 8.9384 9.0970 9.0970 10.0448 10.0448 11.7309 11.7309 k = 0.0000 0.3214-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6741 -25.6741 -25.6732 -25.6732 -6.9159 -6.9159 -6.2818 -6.2818 -6.0570 -6.0570 -6.0089 -6.0089 1.2392 1.2392 1.4449 1.4449 1.7597 1.7597 2.3546 2.3546 2.8339 2.8339 2.8776 2.8776 2.9586 2.9586 3.1629 3.1629 3.3247 3.3247 3.3725 3.3725 3.7927 3.7927 3.8690 3.8690 3.9263 3.9263 4.2068 4.2068 4.3085 4.3085 4.4419 4.4419 4.4617 4.4617 4.6371 4.6371 4.6565 4.6565 4.7188 4.7188 5.0548 5.0548 5.0994 5.0994 5.1228 5.1228 5.2267 5.2267 5.7012 5.7012 6.1634 6.1634 6.1757 6.1757 8.1627 8.1627 8.6556 8.6556 8.8291 8.8291 8.9588 8.9588 9.1257 9.1257 10.1473 10.1473 11.7178 11.7178 k = 0.0000 0.3393-0.0000 ( 6467 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6742 -25.6742 -25.6732 -25.6732 -6.8971 -6.8971 -6.3027 -6.3027 -6.0575 -6.0575 -6.0089 -6.0089 1.2561 1.2561 1.4849 1.4849 1.7938 1.7938 2.3151 2.3151 2.8386 2.8386 2.8833 2.8833 2.9282 2.9282 3.1129 3.1129 3.3222 3.3222 3.3658 3.3658 3.7920 3.7920 3.8729 3.8729 3.9295 3.9295 4.2279 4.2279 4.3028 4.3028 4.4342 4.4342 4.4560 4.4560 4.6300 4.6300 4.6519 4.6519 4.7110 4.7110 5.0602 5.0602 5.1001 5.1001 5.1274 5.1274 5.2287 5.2287 5.6653 5.6653 6.1532 6.1532 6.1687 6.1687 8.1566 8.1566 8.6632 8.6632 8.8535 8.8535 8.9778 8.9778 9.1526 9.1526 10.2471 10.2471 11.7058 11.7058 k = 0.0000 0.3571-0.0000 ( 6491 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6743 -25.6743 -25.6732 -25.6732 -6.8784 -6.8784 -6.3236 -6.3236 -6.0578 -6.0578 -6.0089 -6.0089 1.2724 1.2724 1.5257 1.5257 1.8279 1.8279 2.2755 2.2755 2.8430 2.8430 2.8881 2.8881 2.9002 2.9002 3.0629 3.0629 3.3202 3.3202 3.3596 3.3596 3.7912 3.7912 3.8767 3.8767 3.9323 3.9323 4.2484 4.2484 4.2977 4.2977 4.4268 4.4268 4.4507 4.4507 4.6218 4.6218 4.6483 4.6483 4.7022 4.7022 5.0650 5.0650 5.0999 5.0999 5.1345 5.1345 5.2309 5.2309 5.6314 5.6314 6.1437 6.1437 6.1621 6.1621 8.1511 8.1511 8.6702 8.6702 8.8760 8.8760 8.9952 8.9952 9.1772 9.1772 10.3430 10.3430 11.6948 11.6948 k = 0.0000 0.3750-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6743 -25.6743 -25.6732 -25.6732 -6.8599 -6.8599 -6.3440 -6.3440 -6.0581 -6.0581 -6.0089 -6.0089 1.2877 1.2877 1.5672 1.5672 1.8611 1.8611 2.2365 2.2365 2.8467 2.8467 2.8723 2.8723 2.8949 2.8949 3.0138 3.0138 3.3186 3.3186 3.3539 3.3539 3.7906 3.7906 3.8804 3.8804 3.9348 3.9348 4.2681 4.2681 4.2937 4.2937 4.4199 4.4199 4.4459 4.4459 4.6134 4.6134 4.6455 4.6455 4.6929 4.6929 5.0695 5.0695 5.0992 5.0992 5.1433 5.1433 5.2336 5.2336 5.5997 5.5997 6.1351 6.1351 6.1563 6.1563 8.1464 8.1464 8.6767 8.6767 8.8964 8.8964 9.0110 9.0110 9.1996 9.1996 10.4339 10.4339 11.6843 11.6843 k = 0.0000 0.3929-0.0000 ( 6479 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6744 -25.6744 -25.6732 -25.6732 -6.8421 -6.8421 -6.3637 -6.3637 -6.0583 -6.0583 -6.0089 -6.0089 1.3018 1.3018 1.6092 1.6092 1.8918 1.8918 2.1989 2.1989 2.8438 2.8438 2.8550 2.8550 2.8993 2.8993 2.9665 2.9665 3.3175 3.3175 3.3485 3.3485 3.7899 3.7899 3.8838 3.8838 3.9368 3.9368 4.2844 4.2844 4.2926 4.2926 4.4133 4.4133 4.4418 4.4418 4.6051 4.6051 4.6433 4.6433 4.6833 4.6833 5.0734 5.0734 5.0982 5.0982 5.1527 5.1527 5.2366 5.2366 5.5704 5.5704 6.1274 6.1274 6.1512 6.1512 8.1422 8.1422 8.6824 8.6824 8.9145 8.9145 9.0248 9.0248 9.2193 9.2193 10.5185 10.5185 11.6741 11.6741 k = 0.0000 0.4107-0.0000 ( 6459 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6744 -25.6744 -25.6732 -25.6732 -6.8253 -6.8253 -6.3820 -6.3820 -6.0585 -6.0585 -6.0089 -6.0089 1.3144 1.3144 1.6513 1.6513 1.9177 1.9177 2.1644 2.1644 2.8250 2.8250 2.8557 2.8557 2.9030 2.9030 2.9225 2.9225 3.3169 3.3169 3.3436 3.3436 3.7894 3.7894 3.8869 3.8869 3.9386 3.9386 4.2853 4.2853 4.3063 4.3063 4.4070 4.4070 4.4385 4.4385 4.5974 4.5974 4.6416 4.6416 4.6739 4.6739 5.0770 5.0770 5.0972 5.0972 5.1620 5.1620 5.2403 5.2403 5.5439 5.5439 6.1207 6.1207 6.1468 6.1468 8.1387 8.1387 8.6875 8.6875 8.9300 8.9300 9.0367 9.0367 9.2362 9.2362 10.5952 10.5952 11.6638 11.6638 k = 0.0000 0.4286-0.0000 ( 6459 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6744 -25.6744 -25.6732 -25.6732 -6.8101 -6.8101 -6.3985 -6.3985 -6.0586 -6.0586 -6.0089 -6.0089 1.3251 1.3251 1.6933 1.6933 1.9348 1.9348 2.1361 2.1361 2.8074 2.8074 2.8577 2.8577 2.8822 2.8822 2.9071 2.9071 3.3168 3.3168 3.3391 3.3391 3.7890 3.7890 3.8896 3.8896 3.9400 3.9400 4.2832 4.2832 4.3221 4.3221 4.4011 4.4011 4.4359 4.4359 4.5905 4.5905 4.6402 4.6402 4.6650 4.6650 5.0803 5.0803 5.0961 5.0961 5.1703 5.1703 5.2446 5.2446 5.5204 5.5204 6.1151 6.1151 6.1431 6.1431 8.1358 8.1358 8.6917 8.6917 8.9429 8.9429 9.0464 9.0464 9.2502 9.2502 10.6622 10.6622 11.6536 11.6536 k = 0.0000 0.4464-0.0000 ( 6459 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6744 -25.6744 -25.6732 -25.6732 -6.7972 -6.7972 -6.4125 -6.4125 -6.0587 -6.0587 -6.0089 -6.0089 1.3338 1.3338 1.7348 1.7348 1.9385 1.9385 2.1176 2.1176 2.7932 2.7932 2.8464 2.8464 2.8617 2.8617 2.9097 2.9097 3.3171 3.3171 3.3352 3.3352 3.7886 3.7886 3.8918 3.8918 3.9411 3.9411 4.2814 4.2814 4.3362 4.3362 4.3954 4.3954 4.4343 4.4343 4.5847 4.5847 4.6392 4.6392 4.6574 4.6574 5.0832 5.0832 5.0948 5.0948 5.1771 5.1771 5.2492 5.2492 5.5008 5.5008 6.1107 6.1107 6.1402 6.1402 8.1336 8.1336 8.6950 8.6950 8.9530 8.9530 9.0541 9.0541 9.2612 9.2612 10.7176 10.7176 11.6440 11.6440 k = 0.0000 0.4643-0.0000 ( 6456 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7873 -6.7873 -6.4232 -6.4232 -6.0588 -6.0588 -6.0089 -6.0089 1.3402 1.3402 1.7749 1.7749 1.9268 1.9268 2.1101 2.1101 2.7830 2.7830 2.8208 2.8208 2.8625 2.8625 2.9116 2.9116 3.3177 3.3177 3.3320 3.3320 3.7883 3.7883 3.8934 3.8934 3.9419 3.9419 4.2801 4.2801 4.3480 4.3480 4.3899 4.3899 4.4333 4.4333 4.5802 4.5802 4.6385 4.6385 4.6514 4.6514 5.0857 5.0857 5.0935 5.0935 5.1820 5.1820 5.2535 5.2535 5.4857 5.4857 6.1076 6.1076 6.1381 6.1381 8.1320 8.1320 8.6974 8.6974 8.9604 8.9604 9.0596 9.0596 9.2692 9.2692 10.7592 10.7592 11.6358 11.6358 k = 0.0000 0.4821-0.0000 ( 6456 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7809 -6.7809 -6.4300 -6.4300 -6.0588 -6.0588 -6.0089 -6.0089 1.3441 1.3441 1.8110 1.8110 1.9048 1.9048 2.1093 2.1093 2.7769 2.7769 2.8041 2.8041 2.8634 2.8634 2.9128 2.9128 3.3184 3.3184 3.3297 3.3297 3.7882 3.7882 3.8944 3.8944 3.9423 3.9423 4.2793 4.2793 4.3567 4.3567 4.3852 4.3852 4.4329 4.4329 4.5774 4.5774 4.6381 4.6381 4.6475 4.6475 5.0879 5.0879 5.0921 5.0921 5.1850 5.1850 5.2567 5.2567 5.4761 5.4761 6.1056 6.1056 6.1369 6.1369 8.1311 8.1311 8.6989 8.6989 8.9648 8.9648 9.0628 9.0628 9.2739 9.2739 10.7852 10.7852 11.6302 11.6302 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7788 -6.7788 -6.4324 -6.4324 -6.0588 -6.0588 -6.0089 -6.0089 1.3454 1.3454 1.8304 1.8304 1.8896 1.8896 2.1097 2.1097 2.7749 2.7749 2.7982 2.7982 2.8637 2.8637 2.9132 2.9132 3.3187 3.3187 3.3288 3.3288 3.7881 3.7881 3.8947 3.8947 3.9424 3.9424 4.2790 4.2790 4.3602 4.3602 4.3829 4.3829 4.4327 4.4327 4.5763 4.5763 4.6379 4.6379 4.6462 4.6462 5.0891 5.0891 5.0910 5.0910 5.1859 5.1859 5.2578 5.2578 5.4728 5.4728 6.1050 6.1050 6.1365 6.1365 8.1307 8.1307 8.6994 8.6994 8.9662 8.9662 9.0639 9.0639 9.2755 9.2755 10.7940 10.7940 11.6282 11.6282 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7788 -6.7788 -6.4324 -6.4324 -6.0588 -6.0588 -6.0089 -6.0089 1.3454 1.3454 1.8304 1.8304 1.8896 1.8896 2.1097 2.1097 2.7749 2.7749 2.7982 2.7982 2.8637 2.8637 2.9132 2.9132 3.3187 3.3187 3.3288 3.3288 3.7881 3.7881 3.8947 3.8947 3.9424 3.9424 4.2790 4.2790 4.3602 4.3602 4.3829 4.3829 4.4327 4.4327 4.5763 4.5763 4.6379 4.6379 4.6462 4.6462 5.0891 5.0891 5.0910 5.0910 5.1859 5.1859 5.2578 5.2578 5.4728 5.4728 6.1050 6.1050 6.1365 6.1365 8.1307 8.1307 8.6994 8.6994 8.9662 8.9662 9.0639 9.0639 9.2755 9.2755 10.7940 10.7940 11.6282 11.6282 k = 0.0179 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7783 -6.7782 -6.4332 -6.4310 -6.0605 -6.0579 -6.0093 -6.0093 1.3448 1.3476 1.8304 1.8304 1.8887 1.8901 2.1078 2.1120 2.7722 2.7774 2.7952 2.8014 2.8632 2.8640 2.9129 2.9133 3.3178 3.3184 3.3284 3.3287 3.7821 3.7911 3.8895 3.8944 3.9429 3.9457 4.2777 4.2793 4.3561 4.3630 4.3756 4.3890 4.4280 4.4425 4.5736 4.5775 4.6308 4.6432 4.6497 4.6510 5.0714 5.0899 5.0902 5.1011 5.1819 5.1933 5.2555 5.2637 5.4694 5.4782 6.1032 6.1045 6.1348 6.1360 8.1271 8.1381 8.6962 8.7061 8.9542 8.9772 9.0573 9.0673 9.2643 9.2895 10.7926 10.7986 11.6308 11.6311 k = 0.0357 0.5000-0.0000 ( 6460 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7767 -6.7766 -6.4334 -6.4291 -6.0630 -6.0578 -6.0106 -6.0105 1.3457 1.3513 1.8303 1.8304 1.8875 1.8901 2.1061 2.1146 2.7686 2.7796 2.7928 2.8045 2.8625 2.8640 2.9123 2.9132 3.3154 3.3173 3.3272 3.3285 3.7732 3.7911 3.8800 3.8889 3.9467 3.9517 4.2755 4.2786 4.3510 4.3627 4.3707 4.3919 4.4289 4.4553 4.5684 4.5791 4.6277 4.6411 4.6586 4.6653 5.0502 5.0871 5.0891 5.1034 5.1836 5.2001 5.2577 5.2728 5.4678 5.4855 6.0991 6.1017 6.1310 6.1335 8.1271 8.1492 8.6964 8.7165 8.9420 8.9858 9.0486 9.0670 9.2561 9.3061 10.7945 10.8065 11.6388 11.6394 k = 0.0536 0.5000-0.0000 ( 6464 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7741 -6.7740 -6.4331 -6.4266 -6.0663 -6.0585 -6.0125 -6.0125 1.3481 1.3565 1.8302 1.8304 1.8858 1.8898 2.1047 2.1175 2.7639 2.7818 2.7914 2.8072 2.8616 2.8637 2.9116 2.9128 3.3114 3.3155 3.3252 3.3283 3.7618 3.7881 3.8675 3.8796 3.9525 3.9591 4.2727 4.2768 4.3455 4.3579 4.3712 4.3925 4.4334 4.4694 4.5619 4.5827 4.6267 4.6396 4.6696 4.6837 5.0277 5.0800 5.0873 5.0998 5.1878 5.2045 5.2663 5.2850 5.4680 5.4946 6.0929 6.0968 6.1253 6.1288 8.1308 8.1638 8.6996 8.7301 8.9305 8.9897 9.0404 9.0632 9.2507 9.3248 10.7997 10.8174 11.6522 11.6528 k = 0.0714 0.5000-0.0000 ( 6460 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7705 -6.7703 -6.4323 -6.4236 -6.0703 -6.0601 -6.0153 -6.0152 1.3520 1.3632 1.8301 1.8304 1.8838 1.8890 2.1038 2.1207 2.7582 2.7841 2.7910 2.8096 2.8606 2.8631 2.9109 2.9123 3.3057 3.3127 3.3225 3.3282 3.7480 3.7824 3.8529 3.8674 3.9593 3.9672 4.2695 4.2742 4.3405 4.3528 4.3735 4.3925 4.4385 4.4833 4.5557 4.5888 4.6269 4.6387 4.6838 4.7043 5.0048 5.0674 5.0852 5.0959 5.1895 5.2060 5.2822 5.2997 5.4702 5.5055 6.0847 6.0900 6.1180 6.1223 8.1382 8.1820 8.7052 8.7469 8.9202 8.9858 9.0359 9.0565 9.2482 9.3451 10.8080 10.8314 11.6707 11.6711 k = 0.0893 0.5000-0.0000 ( 6456 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7658 -6.7656 -6.4308 -6.4201 -6.0750 -6.0626 -6.0189 -6.0186 1.3573 1.3712 1.8299 1.8304 1.8816 1.8880 2.1032 2.1244 2.7515 2.7862 2.7917 2.8116 2.8596 2.8621 2.9102 2.9117 3.2985 3.3086 3.3196 3.3279 3.7321 3.7742 3.8367 3.8527 3.9666 3.9757 4.2665 4.2708 4.3366 4.3488 4.3763 4.3926 4.4427 4.4950 4.5516 4.5963 4.6281 4.6393 4.7004 4.7265 4.9822 5.0511 5.0828 5.0925 5.1877 5.2049 5.3030 5.3160 5.4746 5.5180 6.0749 6.0814 6.1092 6.1142 8.1490 8.2035 8.7124 8.7660 8.9120 8.9742 9.0357 9.0476 9.2486 9.3663 10.8194 10.8483 11.6937 11.6940 k = 0.1071 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7601 -6.7599 -6.4289 -6.4161 -6.0805 -6.0660 -6.0233 -6.0226 1.3638 1.3804 1.8296 1.8302 1.8792 1.8866 2.1031 2.1285 2.7443 2.7881 2.7931 2.8136 2.8585 2.8607 2.9098 2.9111 3.2899 3.3028 3.3169 3.3276 3.7144 3.7639 3.8193 3.8357 3.9742 3.9842 4.2640 4.2671 4.3342 4.3459 4.3795 4.3928 4.4457 4.5024 4.5508 4.6028 4.6311 4.6432 4.7186 4.7501 4.9601 5.0330 5.0802 5.0891 5.1834 5.2016 5.3255 5.3328 5.4818 5.5319 6.0636 6.0714 6.0995 6.1049 8.1633 8.2282 8.7200 8.7868 8.9064 8.9584 9.0374 9.0378 9.2518 9.3881 10.8337 10.8678 11.7198 11.7218 k = 0.1250 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7535 -6.7532 -6.4264 -6.4116 -6.0866 -6.0704 -6.0285 -6.0271 1.3714 1.3907 1.8290 1.8300 1.8768 1.8850 2.1037 2.1333 2.7367 2.7893 2.7953 2.8156 2.8574 2.8590 2.9095 2.9106 3.2799 3.2951 3.3145 3.3272 3.6950 3.7519 3.8010 3.8168 3.9820 3.9927 4.2621 4.2634 4.3330 4.3441 4.3829 4.3933 4.4478 4.5047 4.5526 4.6056 4.6369 4.6518 4.7378 4.7746 4.9388 5.0144 5.0774 5.0853 5.1776 5.1965 5.3465 5.3493 5.4929 5.5471 6.0512 6.0602 6.0894 6.0951 8.1807 8.2559 8.7265 8.8079 8.9040 8.9410 9.0283 9.0397 9.2574 9.4099 10.8508 10.8898 11.7483 11.7536 k = 0.1429 0.5000-0.0000 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6745 -25.6745 -25.6734 -25.6734 -6.7459 -6.7456 -6.4234 -6.4066 -6.0935 -6.0759 -6.0343 -6.0321 1.3800 1.4019 1.8281 1.8296 1.8745 1.8832 2.1049 2.1387 2.7290 2.7897 2.7980 2.8181 2.8565 2.8571 2.9096 2.9103 3.2685 3.2858 3.3123 3.3266 3.6743 3.7383 3.7818 3.7962 3.9898 4.0009 4.2602 4.2611 4.3331 4.3433 4.3865 4.3939 4.4495 4.5035 4.5547 4.6048 4.6462 4.6641 4.7573 4.7994 4.9188 4.9960 5.0747 5.0811 5.1709 5.1898 5.3632 5.3645 5.5089 5.5633 6.0376 6.0475 6.0799 6.0857 8.2012 8.2862 8.7308 8.8270 8.9047 8.9244 9.0209 9.0430 9.2651 9.4313 10.8705 10.9141 11.7773 11.7883 k = 0.1607 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6734 -25.6734 -6.7374 -6.7371 -6.4199 -6.4012 -6.1011 -6.0823 -6.0407 -6.0375 1.3895 1.4138 1.8268 1.8290 1.8723 1.8813 2.1071 2.1450 2.7212 2.7890 2.8013 2.8212 2.8551 2.8558 2.9100 2.9101 3.2558 3.2749 3.3103 3.3259 3.6527 3.7234 3.7620 3.7741 3.9975 4.0087 4.2577 4.2608 4.3341 4.3435 4.3901 4.3946 4.4509 4.5009 4.5551 4.6018 4.6588 4.6779 4.7764 4.8240 4.9008 4.9784 5.0720 5.0764 5.1638 5.1819 5.3740 5.3776 5.5303 5.5801 6.0229 6.0334 6.0722 6.0778 8.2246 8.3190 8.7319 8.8396 8.9073 8.9125 9.0180 9.0486 9.2745 9.4520 10.8924 10.9403 11.8041 11.8243 k = 0.1786 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6746 -25.6746 -25.6734 -25.6734 -6.7281 -6.7277 -6.4159 -6.3953 -6.1093 -6.0898 -6.0478 -6.0432 1.3995 1.4262 1.8250 1.8283 1.8705 1.8792 2.1105 2.1524 2.7137 2.7873 2.8050 2.8247 2.8532 2.8556 2.9102 2.9106 3.2418 3.2625 3.3084 3.3251 3.6304 3.7074 3.7416 3.7509 4.0050 4.0160 4.2562 4.2614 4.3359 4.3445 4.3937 4.3955 4.4524 4.4978 4.5537 4.5974 4.6738 4.6913 4.7940 4.8459 4.8874 4.9627 5.0695 5.0714 5.1565 5.1729 5.3787 5.3879 5.5559 5.5973 6.0070 6.0177 6.0673 6.0727 8.2505 8.3538 8.7297 8.8397 8.9099 8.9099 9.0218 9.0582 9.2850 9.4716 10.9164 10.9682 11.8251 11.8584 k = 0.1964 0.5000-0.0000 ( 6452 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6746 -25.6746 -25.6735 -25.6735 -6.7179 -6.7174 -6.4115 -6.3890 -6.1183 -6.0982 -6.0554 -6.0493 1.4101 1.4387 1.8227 1.8273 1.8690 1.8770 2.1152 2.1609 2.7066 2.7848 2.8090 2.8286 2.8516 2.8561 2.9104 2.9114 3.2265 3.2486 3.3066 3.3241 3.6078 3.6905 3.7205 3.7268 4.0122 4.0228 4.2558 4.2628 4.3382 4.3463 4.3966 4.3971 4.4541 4.4947 4.5508 4.5923 4.6903 4.7028 4.8087 4.8549 4.8893 4.9500 5.0662 5.0671 5.1493 5.1632 5.3781 5.3947 5.5838 5.6144 5.9899 6.0005 6.0661 6.0715 8.2788 8.3902 8.7245 8.8285 8.9109 8.9148 9.0337 9.0730 9.2962 9.4900 10.9422 10.9974 11.8368 11.8844 k = 0.2143 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6746 -25.6746 -25.6735 -25.6735 -6.7069 -6.7064 -6.4066 -6.3824 -6.1279 -6.1076 -6.0634 -6.0557 1.4209 1.4514 1.8198 1.8259 1.8678 1.8747 2.1217 2.1708 2.7000 2.7816 2.8133 2.8324 2.8504 2.8573 2.9109 2.9125 3.2099 3.2332 3.3050 3.3231 3.5851 3.6727 3.6989 3.7020 4.0189 4.0290 4.2566 4.2649 4.3410 4.3489 4.3980 4.4003 4.4562 4.4921 4.5470 4.5867 4.7075 4.7110 4.8184 4.8501 4.9082 4.9424 5.0613 5.0651 5.1422 5.1530 5.3731 5.3973 5.6121 5.6310 5.9716 5.9823 6.0692 6.0751 8.3090 8.4276 8.7171 8.8125 8.9106 8.9208 9.0529 9.0933 9.3078 9.5070 10.9693 11.0276 11.8372 11.8945 k = 0.2321 0.5000-0.0000 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6735 -25.6735 -6.6952 -6.6947 -6.4013 -6.3755 -6.1381 -6.1178 -6.0719 -6.0623 1.4318 1.4637 1.8165 1.8243 1.8668 1.8723 2.1301 2.1823 2.6941 2.7780 2.8177 2.8360 2.8498 2.8596 2.9117 2.9138 3.1921 3.2164 3.3035 3.3220 3.5628 3.6544 3.6768 3.6768 4.0253 4.0346 4.2587 4.2676 4.3440 4.3522 4.3998 4.4032 4.4585 4.4898 4.5429 4.5809 4.7145 4.7247 4.8215 4.8461 4.9303 4.9410 5.0570 5.0633 5.1354 5.1426 5.3644 5.3957 5.6392 5.6467 5.9526 5.9634 6.0770 6.0837 8.3409 8.4653 8.7082 8.7959 8.9098 8.9251 9.0777 9.1182 9.3196 9.5222 10.9975 11.0584 11.8258 11.8857 k = 0.2500 0.5000-0.0000 ( 6404 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6735 -25.6735 -6.6829 -6.6823 -6.3957 -6.3682 -6.1488 -6.1288 -6.0807 -6.0693 1.4427 1.4757 1.8126 1.8223 1.8658 1.8697 2.1408 2.1956 2.6890 2.7740 2.8223 2.8392 2.8500 2.8629 2.9125 2.9151 3.1729 3.1981 3.3021 3.3209 3.5410 3.6355 3.6514 3.6544 4.0312 4.0396 4.2618 4.2710 4.3470 4.3558 4.4018 4.4056 4.4612 4.4880 4.5387 4.5748 4.7128 4.7413 4.8182 4.8469 4.9453 4.9517 5.0540 5.0617 5.1289 5.1326 5.3525 5.3896 5.6613 5.6638 5.9330 5.9441 6.0897 6.0973 8.3740 8.5023 8.6985 8.7808 8.9098 8.9277 9.1061 9.1464 9.3314 9.5357 11.0263 11.0894 11.8036 11.8607 k = 0.2679 0.5000-0.0000 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6747 -25.6747 -25.6736 -25.6736 -6.6700 -6.6693 -6.3897 -6.3608 -6.1601 -6.1404 -6.0897 -6.0765 1.4535 1.4870 1.8084 1.8197 1.8648 1.8671 2.1541 2.2107 2.6847 2.7697 2.8268 2.8421 2.8511 2.8670 2.9135 2.9164 3.1524 3.1783 3.3009 3.3196 3.5199 3.6159 3.6263 3.6316 4.0366 4.0439 4.2659 4.2749 4.3499 4.3596 4.4042 4.4074 4.4642 4.4867 4.5348 4.5688 4.7064 4.7557 4.8120 4.8523 4.9523 4.9714 5.0531 5.0601 5.1226 5.1235 5.3380 5.3794 5.6747 5.6853 5.9133 5.9247 6.1069 6.1153 8.4078 8.5370 8.6890 8.7690 8.9109 8.9292 9.1366 9.1762 9.3430 9.5471 11.0554 11.1200 11.7718 11.8237 k = 0.2857 0.5000-0.0000 ( 6426 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6748 -25.6748 -25.6736 -25.6736 -6.6565 -6.6559 -6.3834 -6.3533 -6.1718 -6.1526 -6.0989 -6.0840 1.4639 1.4976 1.8038 1.8168 1.8637 1.8643 2.1700 2.2278 2.6814 2.7654 2.8312 2.8447 2.8530 2.8716 2.9146 2.9176 3.1306 3.1571 3.2998 3.3184 3.5000 3.5949 3.6026 3.6087 4.0415 4.0478 4.2708 4.2793 4.3526 4.3635 4.4068 4.4087 4.4678 4.4862 4.5313 4.5629 4.6968 4.7638 4.8091 4.8613 4.9592 4.9888 5.0554 5.0579 5.1164 5.1167 5.3212 5.3654 5.6869 5.7034 5.8938 5.9056 6.1282 6.1370 8.4418 8.5674 8.6802 8.7624 8.9136 8.9301 9.1683 9.2066 9.3544 9.5563 11.0843 11.1500 11.7322 11.7779 k = 0.3036 0.5000-0.0000 ( 6426 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6748 -25.6748 -25.6737 -25.6737 -6.6427 -6.6420 -6.3770 -6.3457 -6.1839 -6.1651 -6.1082 -6.0918 1.4740 1.5074 1.7990 1.8133 1.8615 1.8622 2.1886 2.2469 2.6791 2.7609 2.8355 2.8473 2.8559 2.8765 2.9160 2.9189 3.1076 3.1346 3.2989 3.3172 3.4812 3.5718 3.5816 3.5860 4.0459 4.0512 4.2764 4.2841 4.3549 4.3670 4.4094 4.4096 4.4717 4.4865 4.5284 4.5572 4.6854 4.7606 4.8161 4.8725 4.9638 5.0031 5.0546 5.0613 5.1111 5.1124 5.3028 5.3483 5.6980 5.7182 5.8748 5.8869 6.1526 6.1612 8.4750 8.5908 8.6732 8.7634 8.9179 8.9311 9.2004 9.2365 9.3657 9.5633 11.1126 11.1786 11.6867 11.7262 k = 0.3214 0.5000-0.0000 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6749 -25.6749 -25.6737 -25.6737 -6.6286 -6.6279 -6.3704 -6.3382 -6.1961 -6.1779 -6.1175 -6.0997 1.4836 1.5162 1.7941 1.8094 1.8587 1.8605 2.2099 2.2678 2.6779 2.7564 2.8396 2.8499 2.8595 2.8813 2.9174 2.9201 3.0834 3.1108 3.2983 3.3159 3.4640 3.5479 3.5623 3.5637 4.0499 4.0542 4.2825 4.2894 4.3569 4.3699 4.4095 4.4124 4.4762 4.4877 4.5262 4.5519 4.6732 4.7494 4.8303 4.8851 4.9657 5.0141 5.0498 5.0705 5.1059 5.1121 5.2830 5.3287 5.7081 5.7300 5.8565 5.8690 6.1790 6.1870 8.5066 8.6054 8.6688 8.7730 8.9236 8.9325 9.2320 9.2653 9.3769 9.5680 11.1398 11.2054 11.6373 11.6708 k = 0.3393 0.5000-0.0000 ( 6426 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6749 -25.6749 -25.6737 -25.6737 -6.6144 -6.6137 -6.3638 -6.3310 -6.2082 -6.1907 -6.1267 -6.1078 1.4928 1.5240 1.7892 1.8050 1.8560 1.8585 2.2336 2.2903 2.6776 2.7518 2.8435 2.8526 2.8638 2.8859 2.9190 2.9211 3.0583 3.0858 3.2979 3.3147 3.4483 3.5245 3.5421 3.5438 4.0535 4.0568 4.2890 4.2950 4.3584 4.3720 4.4093 4.4150 4.4813 4.4900 4.5245 4.5472 4.6610 4.7355 4.8472 4.8985 4.9657 5.0213 5.0444 5.0818 5.1010 5.1150 5.2623 5.3073 5.7172 5.7391 5.8394 5.8523 6.2062 6.2133 8.5349 8.6120 8.6684 8.7893 8.9306 8.9350 9.2627 9.2924 9.3881 9.5702 11.1655 11.2297 11.5861 11.6142 k = 0.3571 0.5000-0.0000 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6749 -25.6749 -25.6737 -25.6737 -6.6001 -6.5994 -6.3573 -6.3244 -6.2199 -6.2032 -6.1357 -6.1161 1.5014 1.5308 1.7844 1.8003 1.8534 1.8563 2.2594 2.3141 2.6783 2.7471 2.8474 2.8551 2.8684 2.8900 2.9207 2.9221 3.0326 3.0600 3.2977 3.3135 3.4345 3.5023 3.5215 3.5260 4.0566 4.0591 4.2957 4.3009 4.3594 4.3729 4.4090 4.4172 4.4869 4.4932 4.5233 4.5430 4.6492 4.7205 4.8652 4.9123 4.9647 5.0233 5.0412 5.0921 5.0982 5.1196 5.2410 5.2849 5.7254 5.7460 5.8237 5.8368 6.2332 6.2392 8.5581 8.6135 8.6735 8.8081 8.9388 8.9395 9.2919 9.3173 9.3993 9.5698 11.1893 11.2511 11.5350 11.5582 k = 0.3750 0.5000-0.0000 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5861 -6.5854 -6.3512 -6.3187 -6.2308 -6.2152 -6.1443 -6.1244 1.5095 1.5367 1.7798 1.7953 1.8509 1.8540 2.2869 2.3386 2.6800 2.7423 2.8510 2.8575 2.8732 2.8936 2.9225 2.9227 3.0068 3.0336 3.2978 3.3124 3.4226 3.4816 3.5023 3.5091 4.0593 4.0611 4.3025 4.3071 4.3600 4.3726 4.4087 4.4188 4.4929 4.4974 4.5226 4.5397 4.6381 4.7053 4.8835 4.9260 4.9637 5.0196 5.0423 5.0902 5.1079 5.1242 5.2196 5.2622 5.7327 5.7508 5.8096 5.8230 6.2589 6.2638 8.5746 8.6123 8.6852 8.8250 8.9466 8.9479 9.3193 9.3400 9.4106 9.5670 11.2109 11.2691 11.4857 11.5046 k = 0.3929 0.5000-0.0000 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5726 -6.5719 -6.3455 -6.3146 -6.2402 -6.2263 -6.1524 -6.1326 1.5171 1.5414 1.7756 1.7901 1.8487 1.8517 2.3153 2.3633 2.6824 2.7373 2.8544 2.8596 2.8779 2.8966 2.9229 2.9242 2.9818 3.0072 3.2982 3.3113 3.4128 3.4628 3.4849 3.4933 4.0616 4.0629 4.3092 4.3134 4.3601 4.3710 4.4087 4.4197 4.4991 4.5022 4.5221 4.5372 4.6281 4.6901 4.9016 4.9390 4.9637 5.0142 5.0455 5.0857 5.1196 5.1270 5.1983 5.2403 5.7390 5.7537 5.7974 5.8111 6.2827 6.2865 8.5849 8.6103 8.7025 8.8371 8.9567 8.9576 9.3443 9.3605 9.4218 9.5617 11.2302 11.2833 11.4398 11.4550 k = 0.4107 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5598 -6.5593 -6.3406 -6.3127 -6.2474 -6.2360 -6.1596 -6.1407 1.5240 1.5452 1.7719 1.7851 1.8468 1.8495 2.3438 2.3871 2.6855 2.7322 2.8571 2.8611 2.8826 2.8989 2.9221 2.9258 2.9592 2.9815 3.2989 3.3102 3.4051 3.4461 3.4696 3.4787 4.0635 4.0644 4.3159 4.3197 4.3598 4.3684 4.4091 4.4200 4.5051 4.5074 4.5220 4.5357 4.6195 4.6754 4.9183 4.9503 4.9662 5.0103 5.0492 5.0811 5.1263 5.1299 5.1782 5.2207 5.7440 5.7549 5.7876 5.8013 6.3038 6.3066 8.5909 8.6082 8.7231 8.8435 8.9676 8.9688 9.3667 9.3789 9.4326 9.5540 11.2470 11.2936 11.3988 11.4106 k = 0.4286 0.5000-0.0000 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5483 -6.5478 -6.3368 -6.3135 -6.2519 -6.2437 -6.1656 -6.1485 1.5303 1.5479 1.7690 1.7802 1.8452 1.8475 2.3716 2.4089 2.6891 2.7269 2.8587 2.8618 2.8869 2.9006 2.9181 2.9271 2.9424 2.9575 3.2998 3.3091 3.3995 3.4316 3.4567 3.4657 4.0650 4.0655 4.3223 4.3260 4.3587 4.3648 4.4096 4.4195 4.5101 4.5126 4.5220 4.5354 4.6127 4.6611 4.9315 4.9579 4.9734 5.0105 5.0532 5.0763 5.1204 5.1358 5.1618 5.2049 5.7475 5.7545 5.7805 5.7938 6.3217 6.3237 8.5945 8.6064 8.7443 8.8447 8.9774 8.9810 9.3861 9.3956 9.4429 9.5440 11.2612 11.3000 11.3639 11.3725 k = 0.4464 0.5000-0.0000 ( 6426 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5384 -6.5380 -6.3340 -6.3166 -6.2539 -6.2493 -6.1701 -6.1557 1.5358 1.5494 1.7670 1.7758 1.8440 1.8458 2.3971 2.4272 2.6931 2.7216 2.8587 2.8613 2.8908 2.9016 2.9097 2.9269 2.9348 2.9375 3.3008 3.3080 3.3960 3.4196 3.4466 3.4545 4.0662 4.0665 4.3285 4.3320 4.3571 4.3607 4.4105 4.4185 4.5139 4.5169 4.5231 4.5359 4.6084 4.6477 4.9397 4.9604 4.9869 5.0164 5.0575 5.0713 5.1086 5.1282 5.1587 5.1939 5.7491 5.7531 5.7766 5.7884 6.3360 6.3373 8.5970 8.6049 8.7647 8.8418 8.9866 8.9915 9.4022 9.4099 9.4527 9.5321 11.2731 11.3026 11.3364 11.3419 k = 0.4643 0.5000-0.0000 ( 6442 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5307 -6.5305 -6.3320 -6.3207 -6.2545 -6.2527 -6.1727 -6.1622 1.5405 1.5498 1.7659 1.7720 1.8432 1.8444 2.4191 2.4404 2.6973 2.7162 2.8571 2.8596 2.8939 2.9018 2.9022 2.9171 2.9311 2.9326 3.3020 3.3069 3.3947 3.4101 3.4397 3.4456 4.0671 4.0672 4.3345 4.3377 4.3546 4.3561 4.4115 4.4172 4.5163 4.5188 4.5262 4.5365 4.6072 4.6353 4.9447 4.9590 5.0049 5.0266 5.0620 5.0657 5.0926 5.1122 5.1640 5.1865 5.7491 5.7511 5.7757 5.7844 6.3465 6.3473 8.5988 8.6037 8.7835 8.8355 8.9943 8.9989 9.4147 9.4209 9.4632 9.5186 11.2826 11.3009 11.3179 11.3196 k = 0.4821 0.5000-0.0000 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5258 -6.5257 -6.3303 -6.3248 -6.2546 -6.2542 -6.1731 -6.1675 1.5444 1.5491 1.7658 1.7690 1.8429 1.8435 2.4356 2.4467 2.7016 2.7111 2.8551 2.8570 2.8961 2.8998 2.9015 2.9059 2.9312 2.9319 3.3032 3.3057 3.3954 3.4030 3.4362 3.4393 4.0676 4.0676 4.3403 4.3429 4.3512 4.3515 4.4128 4.4157 4.5177 4.5190 4.5303 4.5359 4.6096 4.6244 4.9486 4.9559 5.0247 5.0380 5.0594 5.0627 5.0795 5.0965 5.1701 5.1809 5.7487 5.7495 5.7768 5.7813 6.3529 6.3532 8.6003 8.6026 8.8002 8.8264 9.0000 9.0028 9.4233 9.4270 9.4754 9.5041 11.2892 11.2955 11.3068 11.3089 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5241 -6.5241 -6.3280 -6.3280 -6.2546 -6.2546 -6.1713 -6.1713 1.5473 1.5473 1.7669 1.7669 1.8430 1.8430 2.4452 2.4452 2.7062 2.7062 2.8551 2.8551 2.8993 2.8993 2.9006 2.9006 2.9315 2.9315 3.3045 3.3045 3.3982 3.3982 3.4361 3.4361 4.0678 4.0678 4.3455 4.3455 4.3480 4.3480 4.4142 4.4142 4.5186 4.5186 4.5338 4.5338 4.6156 4.6156 4.9523 4.9523 5.0425 5.0425 5.0535 5.0535 5.0840 5.0840 5.1757 5.1757 5.7487 5.7487 5.7788 5.7788 6.3552 6.3552 8.6015 8.6015 8.8146 8.8146 9.0031 9.0031 9.4276 9.4276 9.4894 9.4894 11.2919 11.2919 11.3048 11.3048 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5241 -6.5241 -6.3280 -6.3280 -6.2546 -6.2546 -6.1713 -6.1713 1.5473 1.5473 1.7669 1.7669 1.8430 1.8430 2.4452 2.4452 2.7062 2.7062 2.8551 2.8551 2.8993 2.8993 2.9006 2.9006 2.9315 2.9315 3.3045 3.3045 3.3982 3.3982 3.4361 3.4361 4.0678 4.0678 4.3455 4.3455 4.3480 4.3480 4.4142 4.4142 4.5186 4.5186 4.5338 4.5338 4.6156 4.6156 4.9523 4.9523 5.0425 5.0425 5.0535 5.0535 5.0840 5.0840 5.1757 5.1757 5.7487 5.7487 5.7788 5.7788 6.3552 6.3552 8.6015 8.6015 8.8146 8.8146 9.0031 9.0031 9.4276 9.4276 9.4894 9.4894 11.2919 11.2919 11.3048 11.3048 k = 0.4875 0.4875-0.0000 ( 6434 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5258 -6.5257 -6.3302 -6.3248 -6.2545 -6.2543 -6.1731 -6.1676 1.5444 1.5491 1.7658 1.7689 1.8429 1.8435 2.4357 2.4467 2.7016 2.7110 2.8550 2.8572 2.8965 2.8995 2.9017 2.9057 2.9312 2.9319 3.3032 3.3057 3.3955 3.4027 3.4363 3.4392 4.0676 4.0676 4.3393 4.3462 4.3473 4.3531 4.4128 4.4157 4.5178 4.5190 4.5303 4.5360 4.6096 4.6244 4.9486 4.9559 5.0247 5.0387 5.0586 5.0628 5.0796 5.0964 5.1701 5.1809 5.7487 5.7495 5.7768 5.7813 6.3529 6.3533 8.6003 8.6026 8.8004 8.8262 9.0000 9.0029 9.4228 9.4275 9.4759 9.5037 11.2906 11.2912 11.3090 11.3094 k = 0.4750 0.4750-0.0000 ( 6434 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5307 -6.5305 -6.3312 -6.3209 -6.2540 -6.2537 -6.1729 -6.1621 1.5406 1.5499 1.7652 1.7717 1.8437 1.8447 2.4193 2.4403 2.6973 2.7163 2.8566 2.8613 2.8967 2.8984 2.9038 2.9155 2.9309 2.9325 3.3020 3.3069 3.3956 3.4082 3.4408 3.4450 4.0671 4.0672 4.3319 4.3454 4.3471 4.3586 4.4115 4.4172 4.5165 4.5190 4.5257 4.5368 4.6066 4.6356 4.9445 4.9592 5.0049 5.0287 5.0617 5.0641 5.0927 5.1122 5.1641 5.1864 5.7496 5.7510 5.7755 5.7842 6.3467 6.3475 8.5989 8.6035 8.7840 8.8354 8.9940 8.9995 9.4107 9.4245 9.4658 9.5168 11.2784 11.2870 11.3231 11.3319 k = 0.4625 0.4625-0.0000 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5385 -6.5385 -6.3311 -6.3163 -6.2529 -6.2527 -6.1707 -6.1553 1.5359 1.5496 1.7640 1.7741 1.8463 1.8476 2.3971 2.4266 2.6932 2.7218 2.8591 2.8658 2.8975 2.8984 2.9090 2.9268 2.9309 2.9352 3.3007 3.3082 3.3984 3.4137 3.4502 3.4531 4.0662 4.0665 4.3242 4.3444 4.3467 4.3632 4.4103 4.4184 4.5149 4.5189 4.5205 4.5363 4.6064 4.6488 4.9394 4.9594 4.9889 5.0197 5.0564 5.0684 5.1085 5.1285 5.1587 5.1939 5.7511 5.7527 5.7751 5.7875 6.3368 6.3380 8.5973 8.6044 8.7655 8.8417 8.9853 8.9930 9.3914 9.4195 9.4594 9.5276 11.2590 11.2742 11.3517 11.3680 k = 0.4500 0.4500-0.0000 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5492 -6.5490 -6.3299 -6.3112 -6.2512 -6.2511 -6.1668 -6.1475 1.5304 1.5483 1.7610 1.7745 1.8517 1.8535 2.3703 2.4067 2.6894 2.7276 2.8613 2.8692 2.8972 2.9008 2.9177 2.9312 2.9328 2.9481 3.2994 3.3095 3.4038 3.4189 3.4633 3.4640 4.0651 4.0656 4.3164 4.3430 4.3460 4.3668 4.4092 4.4190 4.5128 4.5153 4.5185 4.5349 4.6090 4.6636 4.9326 4.9494 4.9845 5.0136 5.0509 5.0719 5.1200 5.1367 5.1618 5.2051 5.7531 5.7542 5.7762 5.7912 6.3237 6.3252 8.5954 8.6053 8.7453 8.8454 8.9745 8.9837 9.3672 9.4129 9.4544 9.5355 11.2334 11.2535 11.3927 11.4161 k = 0.4375 0.4375-0.0000 ( 6422 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5624 -6.5619 -6.3276 -6.3058 -6.2492 -6.2487 -6.1614 -6.1390 1.5242 1.5460 1.7551 1.7716 1.8607 1.8634 2.3402 2.3820 2.6863 2.7336 2.8626 2.8706 2.8983 2.9045 2.9227 2.9327 2.9431 2.9665 3.2982 3.3111 3.4115 3.4245 3.4755 3.4814 4.0635 4.0645 4.3086 4.3415 4.3451 4.3695 4.4080 4.4186 4.5095 4.5114 4.5179 4.5327 4.6143 4.6797 4.9237 4.9320 4.9890 5.0109 5.0456 5.0747 5.1258 5.1311 5.1785 5.2210 5.7552 5.7554 5.7786 5.7951 6.3079 6.3100 8.5930 8.6060 8.7235 8.8463 8.9620 8.9720 9.3403 9.4050 9.4491 9.5402 11.2017 11.2258 11.4443 11.4748 k = 0.4250 0.4250-0.0000 ( 6418 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5777 -6.5768 -6.3244 -6.3000 -6.2466 -6.2455 -6.1549 -6.1300 1.5172 1.5426 1.7461 1.7650 1.8730 1.8774 2.3078 2.3539 2.6844 2.7398 2.8623 2.8701 2.9010 2.9099 2.9229 2.9345 2.9618 2.9870 3.2972 3.3130 3.4209 3.4308 3.4895 3.5012 4.0616 4.0631 4.3009 4.3398 4.3441 4.3712 4.4067 4.4169 4.5048 4.5094 4.5170 4.5302 4.6220 4.6966 4.9131 4.9131 4.9964 5.0114 5.0404 5.0772 5.1215 5.1264 5.1992 5.2407 5.7560 5.7580 5.7817 5.7988 6.2903 6.2929 8.5901 8.6067 8.7005 8.8444 8.9483 8.9585 9.3117 9.3957 9.4427 9.5418 11.1642 11.1912 11.5045 11.5423 k = 0.4125 0.4125-0.0000 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6750 -25.6750 -25.6738 -25.6738 -6.5948 -6.5935 -6.3202 -6.2939 -6.2432 -6.2416 -6.1476 -6.1208 1.5095 1.5382 1.7341 1.7549 1.8883 1.8949 2.2740 2.3236 2.6841 2.7464 2.8604 2.8682 2.9048 2.9165 2.9223 2.9375 2.9843 3.0088 3.2963 3.3152 3.4316 3.4378 3.5051 3.5229 4.0593 4.0615 4.2933 4.3379 4.3429 4.3722 4.4050 4.4136 4.5002 4.5080 4.5155 4.5278 4.6319 4.7142 4.8943 4.9014 5.0049 5.0142 5.0355 5.0792 5.1106 5.1233 5.2208 5.2627 5.7572 5.7608 5.7845 5.8019 6.2718 6.2750 8.5865 8.6071 8.6764 8.8401 8.9338 8.9437 9.2824 9.3849 9.4346 9.5402 11.1209 11.1501 11.5711 11.6166 k = 0.4000 0.4000-0.0000 ( 6412 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6749 -25.6749 -25.6737 -25.6737 -6.6134 -6.6117 -6.3153 -6.2875 -6.2390 -6.2370 -6.1398 -6.1116 1.5009 1.5326 1.7194 1.7417 1.9057 1.9149 2.2397 2.2923 2.6857 2.7535 2.8573 2.8656 2.9087 2.9188 2.9272 2.9425 3.0092 3.0314 3.2958 3.3177 3.4433 3.4456 3.5222 3.5459 4.0567 4.0597 4.2859 4.3362 4.3418 4.3726 4.4029 4.4088 4.4960 4.5076 4.5132 4.5263 4.6438 4.7321 4.8762 4.8891 5.0140 5.0183 5.0316 5.0801 5.1002 5.1176 5.2427 5.2856 5.7593 5.7640 5.7861 5.8038 6.2536 6.2574 8.5822 8.6074 8.6517 8.8335 8.9189 8.9281 9.2528 9.3727 9.4246 9.5356 11.0722 11.1030 11.6416 11.6952 k = 0.3875 0.3875-0.0000 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6749 -25.6749 -25.6737 -25.6737 -6.6331 -6.6311 -6.3097 -6.2808 -6.2341 -6.2317 -6.1318 -6.1026 1.4915 1.5258 1.7023 1.7259 1.9241 1.9362 2.2059 2.2613 2.6896 2.7612 2.8535 2.8627 2.9116 2.9170 2.9372 2.9500 3.0356 3.0545 3.2955 3.3206 3.4540 3.4555 3.5403 3.5696 4.0536 4.0576 4.2787 4.3342 4.3406 4.3723 4.4000 4.4024 4.4920 4.5079 4.5101 4.5256 4.6573 4.7499 4.8588 4.8765 5.0195 5.0229 5.0319 5.0763 5.0942 5.1102 5.2645 5.3086 5.7623 5.7672 5.7859 5.8042 6.2368 6.2412 8.5770 8.6070 8.6268 8.8251 8.9037 8.9120 9.2234 9.3589 9.4123 9.5278 11.0184 11.0503 11.7130 11.7751 k = 0.3750 0.3750-0.0000 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6748 -25.6748 -25.6737 -25.6737 -6.6537 -6.6515 -6.3034 -6.2738 -6.2284 -6.2257 -6.1237 -6.0938 1.4811 1.5174 1.6831 1.7078 1.9420 1.9572 2.1744 2.2322 2.6962 2.7696 2.8493 2.8601 2.9132 2.9149 2.9488 2.9603 3.0631 3.0780 3.2956 3.3240 3.4629 3.4681 3.5594 3.5937 4.0501 4.0554 4.2717 4.3325 4.3396 4.3717 4.3948 4.3962 4.4886 4.5069 4.5090 4.5260 4.6720 4.7671 4.8428 4.8640 5.0160 5.0311 5.0379 5.0661 5.0953 5.1017 5.2861 5.3311 5.7649 5.7691 5.7849 5.8041 6.2225 6.2274 8.5709 8.5989 8.6090 8.8149 8.8886 8.8961 9.1944 9.3433 9.3977 9.5171 10.9597 10.9924 11.7816 11.8525 k = 0.3625 0.3625-0.0000 ( 6438 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6748 -25.6748 -25.6737 -25.6737 -6.6750 -6.6727 -6.2966 -6.2665 -6.2220 -6.2192 -6.1157 -6.0854 1.4695 1.5075 1.6620 1.6876 1.9572 1.9748 2.1481 2.2073 2.7057 2.7785 2.8449 2.8582 2.9126 2.9137 2.9615 2.9727 3.0915 3.1019 3.2961 3.3278 3.4722 3.4808 3.5790 3.6178 4.0464 4.0529 4.2651 4.3308 4.3387 4.3706 4.3862 4.3912 4.4858 4.5040 4.5110 4.5270 4.6877 4.7825 4.8294 4.8518 5.0109 5.0371 5.0461 5.0541 5.0925 5.0998 5.3074 5.3528 5.7619 5.7667 5.7881 5.8062 6.2116 6.2170 8.5638 8.5745 8.6071 8.8032 8.8739 8.8805 9.1661 9.3260 9.3807 9.5035 10.8967 10.9298 11.8425 11.9196 k = 0.3500 0.3500-0.0000 ( 6438 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6747 -25.6747 -25.6737 -25.6737 -6.6969 -6.6945 -6.2892 -6.2589 -6.2150 -6.2120 -6.1079 -6.0775 1.4568 1.4960 1.6392 1.6655 1.9667 1.9836 2.1324 2.1896 2.7182 2.7874 2.8405 2.8577 2.9104 2.9135 2.9755 2.9871 3.1204 3.1260 3.2972 3.3321 3.4818 3.4935 3.5989 3.6416 4.0423 4.0503 4.2590 4.3289 4.3380 4.3685 4.3778 4.3849 4.4836 4.5019 4.5138 4.5287 4.7038 4.7903 4.8238 4.8400 5.0051 5.0346 5.0483 5.0549 5.0830 5.1061 5.3285 5.3736 5.7506 5.7573 5.7980 5.8133 6.2046 6.2105 8.5494 8.5557 8.6056 8.7898 8.8601 8.8656 9.1384 9.3069 9.3612 9.4872 10.8296 10.8630 11.8890 11.9486 k = 0.3375 0.3375-0.0000 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6747 -25.6747 -25.6737 -25.6737 -6.7191 -6.7167 -6.2813 -6.2511 -6.2073 -6.2044 -6.1004 -6.0701 1.4429 1.4827 1.6149 1.6416 1.9669 1.9778 2.1330 2.1828 2.7337 2.7953 2.8361 2.8593 2.9086 2.9128 2.9905 3.0029 3.1498 3.1502 3.2988 3.3371 3.4915 3.5061 3.6187 3.6649 4.0379 4.0473 4.2534 4.3265 4.3373 4.3626 4.3730 4.3772 4.4821 4.5010 4.5173 4.5309 4.7201 4.7846 4.8287 4.8322 4.9986 5.0220 5.0506 5.0639 5.0738 5.1134 5.3498 5.3936 5.7333 5.7414 5.8125 5.8250 6.2018 6.2078 8.5245 8.5467 8.6036 8.7746 8.8476 8.8516 9.1114 9.2859 9.3393 9.4682 10.7590 10.7925 11.9169 11.9578 k = 0.3250 0.3250-0.0000 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6736 -25.6736 -6.7415 -6.7391 -6.2730 -6.2431 -6.1991 -6.1963 -6.0932 -6.0633 1.4277 1.4677 1.5893 1.6162 1.9564 1.9587 2.1488 2.1882 2.7521 2.8012 2.8318 2.8634 2.9080 2.9119 3.0064 3.0200 3.1746 3.1792 3.3012 3.3430 3.5013 3.5185 3.6383 3.6872 4.0333 4.0442 4.2484 4.3225 4.3363 4.3545 4.3685 4.3717 4.4813 4.5013 4.5216 4.5336 4.7360 4.7730 4.8183 4.8465 4.9913 5.0078 5.0531 5.0652 5.0725 5.1210 5.3716 5.4133 5.7115 5.7207 5.8307 5.8403 6.2027 6.2087 8.5002 8.5370 8.6009 8.7576 8.8367 8.8385 9.0849 9.2631 9.3150 9.4466 10.6853 10.7187 11.9329 11.9645 k = 0.3125 0.3125-0.0000 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6745 -25.6745 -25.6736 -25.6736 -6.7641 -6.7617 -6.2643 -6.2348 -6.1904 -6.1877 -6.0864 -6.0570 1.4113 1.4510 1.5625 1.5895 1.9320 1.9368 2.1737 2.2042 2.7729 2.8044 2.8277 2.8691 2.9103 2.9110 3.0233 3.0382 3.1988 3.2084 3.3044 3.3498 3.5110 3.5307 3.6574 3.7084 4.0284 4.0406 4.2443 4.3152 4.3339 4.3483 4.3601 4.3716 4.4811 4.5030 4.5265 4.5367 4.7507 4.7605 4.8093 4.8617 4.9829 4.9935 5.0548 5.0577 5.0804 5.1282 5.3944 5.4330 5.6863 5.6965 5.8519 5.8585 6.2067 6.2126 8.4765 8.5265 8.5975 8.7390 8.8264 8.8274 9.0589 9.2386 9.2884 9.4225 10.6088 10.6420 11.9440 11.9703 k = 0.3000 0.3000-0.0000 ( 6446 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6736 -25.6736 -6.7865 -6.7843 -6.2553 -6.2264 -6.1813 -6.1788 -6.0800 -6.0513 1.3938 1.4327 1.5347 1.5616 1.9020 1.9114 2.2033 2.2273 2.7956 2.8054 2.8237 2.8732 2.9108 2.9180 3.0409 3.0573 3.2227 3.2367 3.3089 3.3583 3.5207 3.5425 3.6757 3.7283 4.0234 4.0367 4.2410 4.3039 4.3280 4.3455 4.3544 4.3726 4.4815 4.5059 4.5322 4.5403 4.7480 4.7625 4.8033 4.8764 4.9734 4.9796 5.0516 5.0559 5.0872 5.1343 5.4187 5.4535 5.6585 5.6697 5.8757 5.8793 6.2132 6.2188 8.4536 8.5155 8.5934 8.7192 8.8152 8.8193 9.0331 9.2125 9.2598 9.3961 10.5298 10.5628 11.9529 11.9755 k = 0.2875 0.2875-0.0000 ( 6462 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6744 -25.6744 -25.6736 -25.6736 -6.8089 -6.8068 -6.2460 -6.2178 -6.1718 -6.1696 -6.0741 -6.0461 1.3752 1.4130 1.5062 1.5327 1.8708 1.8828 2.2356 2.2551 2.8048 2.8179 2.8206 2.8739 2.9124 2.9322 3.0593 3.0773 3.2455 3.2633 3.3153 3.3690 3.5302 3.5540 3.6931 3.7467 4.0182 4.0324 4.2386 4.2896 4.3177 4.3450 4.3524 4.3745 4.4824 4.5099 4.5385 4.5442 4.7360 4.7673 4.8040 4.8896 4.9627 4.9668 5.0471 5.0563 5.0926 5.1390 5.4450 5.4755 5.6291 5.6413 5.9016 5.9021 6.2215 6.2267 8.4317 8.5040 8.5886 8.6988 8.8046 8.8120 9.0075 9.1850 9.2293 9.3674 10.4487 10.4813 11.9603 11.9801 k = 0.2750 0.2750-0.0000 ( 6448 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6743 -25.6743 -25.6735 -25.6735 -6.8310 -6.8290 -6.2365 -6.2092 -6.1621 -6.1601 -6.0684 -6.0415 1.3556 1.3921 1.4770 1.5031 1.8394 1.8525 2.2694 2.2857 2.8034 2.8162 2.8393 2.8721 2.9182 2.9513 3.0784 3.0980 3.2661 3.2871 3.3248 3.3832 3.5396 3.5653 3.7094 3.7633 4.0129 4.0277 4.2370 4.2735 4.3048 4.3461 4.3532 4.3778 4.4840 4.5152 4.5455 4.5488 4.7245 4.7644 4.8123 4.8999 4.9514 4.9567 5.0440 5.0564 5.0967 5.1423 5.4736 5.4993 5.5989 5.6122 5.9265 5.9291 6.2309 6.2357 8.4107 8.4922 8.5832 8.6783 8.7944 8.8051 8.9819 9.1563 9.1973 9.3367 10.3656 10.3978 11.9666 11.9843 k = 0.2625 0.2625-0.0000 ( 6462 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6743 -25.6743 -25.6735 -25.6735 -6.8527 -6.8509 -6.2268 -6.2006 -6.1521 -6.1504 -6.0632 -6.0374 1.3353 1.3701 1.4474 1.4728 1.8083 1.8216 2.3039 2.3178 2.8015 2.8128 2.8534 2.8687 2.9320 2.9733 3.0980 3.1192 3.2830 3.3068 3.3390 3.4018 3.5488 3.5761 3.7245 3.7781 4.0074 4.0223 4.2353 4.2561 4.2916 4.3481 4.3553 4.3824 4.4860 4.5213 4.5530 4.5537 4.7136 4.7580 4.8233 4.9038 4.9399 4.9528 5.0423 5.0559 5.0992 5.1443 5.5038 5.5248 5.5690 5.5835 5.9522 5.9576 6.2409 6.2451 8.3909 8.4800 8.5772 8.6579 8.7844 8.7982 8.9563 9.1267 9.1641 9.3042 10.2809 10.3126 11.9716 11.9881 k = 0.2500 0.2500-0.0000 ( 6458 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6742 -25.6742 -25.6735 -25.6735 -6.8740 -6.8724 -6.2169 -6.1920 -6.1420 -6.1406 -6.0583 -6.0338 1.3145 1.3474 1.4176 1.4423 1.7777 1.7907 2.3388 2.3510 2.7993 2.8096 2.8596 2.8645 2.9547 2.9973 3.1181 3.1408 3.2955 3.3224 3.3585 3.4248 3.5579 3.5867 3.7383 3.7911 4.0019 4.0165 4.2317 4.2378 4.2807 4.3508 4.3584 4.3886 4.4886 4.5281 4.5593 4.5610 4.7034 4.7507 4.8341 4.8993 4.9290 4.9572 5.0419 5.0549 5.1004 5.1453 5.5298 5.5327 5.5595 5.5617 5.9787 5.9868 6.2510 6.2547 8.3722 8.4677 8.5709 8.6381 8.7740 8.7908 8.9306 9.0966 9.1300 9.2700 10.1945 10.2257 11.9749 11.9914 k = 0.2375 0.2375-0.0000 ( 6458 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6741 -25.6741 -25.6735 -25.6735 -6.8948 -6.8933 -6.2071 -6.1835 -6.1319 -6.1308 -6.0538 -6.0307 1.2932 1.3242 1.3877 1.4115 1.7479 1.7601 2.3738 2.3846 2.7971 2.8066 2.8599 2.8604 2.9833 3.0225 3.1384 3.1626 3.3050 3.3345 3.3818 3.4512 3.5668 3.5969 3.7507 3.8021 3.9962 4.0101 4.2187 4.2231 4.2756 4.3540 4.3623 4.3964 4.4915 4.5353 4.5655 4.5693 4.6938 4.7434 4.8426 4.8896 4.9202 4.9668 5.0423 5.0532 5.1004 5.1457 5.5047 5.5170 5.5816 5.5893 6.0057 6.0161 6.2609 6.2640 8.3548 8.4552 8.5642 8.6191 8.7630 8.7828 8.9048 9.0663 9.0955 9.2345 10.1067 10.1374 11.9763 11.9944 k = 0.2250 0.2250-0.0000 ( 6466 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6740 -25.6740 -25.6735 -25.6735 -6.9149 -6.9136 -6.1973 -6.1751 -6.1217 -6.1209 -6.0496 -6.0280 1.2718 1.3007 1.3579 1.3808 1.7189 1.7300 2.4085 2.4181 2.7949 2.8037 2.8550 2.8584 3.0149 3.0483 3.1591 3.1846 3.3131 3.3443 3.4074 3.4798 3.5756 3.6068 3.7617 3.8112 3.9904 4.0032 4.1989 4.2088 4.2770 4.3576 4.3669 4.4059 4.4949 4.5423 4.5726 4.5780 4.6851 4.7363 4.8466 4.8779 4.9156 4.9784 5.0437 5.0509 5.0994 5.1460 5.4753 5.4899 5.6189 5.6240 6.0327 6.0453 6.2703 6.2728 8.3387 8.4426 8.5573 8.6011 8.7510 8.7739 8.8789 9.0361 9.0609 9.1978 10.0175 10.0478 11.9754 11.9970 k = 0.2125 0.2125-0.0000 ( 6466 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6740 -25.6739 -25.6734 -25.6734 -6.9344 -6.9333 -6.1875 -6.1670 -6.1116 -6.1110 -6.0456 -6.0257 1.2503 1.2772 1.3285 1.3504 1.6909 1.7009 2.4427 2.4514 2.7927 2.8010 2.8498 2.8550 3.0476 3.0744 3.1798 3.2064 3.3207 3.3526 3.4343 3.5094 3.5845 3.6165 3.7714 3.8186 3.9843 3.9958 4.1786 4.1908 4.2831 4.3617 4.3721 4.4171 4.4988 4.5488 4.5809 4.5868 4.6773 4.7297 4.8445 4.8657 4.9169 4.9906 5.0458 5.0479 5.0981 5.1465 5.4465 5.4622 5.6598 5.6617 6.0595 6.0738 6.2790 6.2809 8.3241 8.4300 8.5503 8.5843 8.7377 8.7639 8.8531 9.0063 9.0266 9.1604 9.9273 9.9570 11.9722 11.9990 k = 0.2000 0.2000-0.0000 ( 6456 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6739 -25.6739 -25.6734 -25.6734 -6.9531 -6.9522 -6.1780 -6.1591 -6.1017 -6.1013 -6.0418 -6.0237 1.2291 1.2540 1.2996 1.3204 1.6638 1.6726 2.4761 2.4840 2.7906 2.7985 2.8446 2.8507 3.0803 3.1003 3.2006 3.2279 3.3283 3.3599 3.4619 3.5392 3.5934 3.6261 3.7797 3.8243 3.9780 3.9879 4.1578 4.1709 4.2922 4.3662 4.3782 4.4297 4.5031 4.5543 4.5904 4.5956 4.6706 4.7237 4.8373 4.8535 4.9234 5.0030 5.0442 5.0483 5.0966 5.1477 5.4186 5.4351 5.7020 5.7031 6.0858 6.1016 6.2869 6.2881 8.3111 8.4175 8.5432 8.5686 8.7229 8.7527 8.8275 8.9772 8.9929 9.1225 9.8361 9.8652 11.9674 12.0001 k = 0.1875 0.1875-0.0000 ( 6444 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6738 -25.6738 -25.6734 -25.6734 -6.9711 -6.9703 -6.1686 -6.1516 -6.0919 -6.0918 -6.0383 -6.0220 1.2084 1.2312 1.2714 1.2910 1.6379 1.6455 2.5086 2.5157 2.7886 2.7960 2.8394 2.8460 3.1123 3.1258 3.2213 3.2489 3.3361 3.3667 3.4897 3.5686 3.6025 3.6355 3.7869 3.8286 3.9713 3.9797 4.1368 4.1499 4.3032 4.3710 4.3851 4.4437 4.5079 4.5586 4.6009 4.6043 4.6651 4.7183 4.8271 4.8415 4.9330 5.0154 5.0400 5.0512 5.0956 5.1495 5.3920 5.4089 5.7447 5.7484 6.1113 6.1281 6.2937 6.2944 8.2999 8.4053 8.5361 8.5540 8.7065 8.7401 8.8026 8.9491 8.9601 9.0846 9.7441 9.7726 11.9620 11.9995 k = 0.1750 0.1750-0.0000 ( 6452 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6737 -25.6737 -25.6733 -25.6733 -6.9881 -6.9874 -6.1596 -6.1444 -6.0825 -6.0824 -6.0349 -6.0206 1.1882 1.2090 1.2440 1.2625 1.6131 1.6195 2.5399 2.5463 2.7867 2.7937 2.8343 2.8411 3.1429 3.1504 3.2417 3.2691 3.3444 3.3730 3.5175 3.5972 3.6119 3.6450 3.7928 3.8315 3.9643 3.9711 4.1154 4.1282 4.3154 4.3760 4.3928 4.4584 4.5130 4.5615 4.6122 4.6127 4.6610 4.7135 4.8154 4.8299 4.9441 5.0270 5.0359 5.0543 5.0953 5.1522 5.3666 5.3838 5.7895 5.7952 6.1357 6.1532 6.2995 6.2996 8.2904 8.3937 8.5290 8.5403 8.6885 8.7258 8.7790 8.9220 8.9283 9.0469 9.6516 9.6795 11.9569 11.9961 k = 0.1625 0.1625-0.0000 ( 6445 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6736 -25.6736 -25.6733 -25.6733 -7.0042 -7.0037 -6.1509 -6.1377 -6.0735 -6.0733 -6.0318 -6.0194 1.1687 1.1877 1.2178 1.2350 1.5895 1.5949 2.5698 2.5756 2.7850 2.7916 2.8293 2.8361 3.1716 3.1741 3.2618 3.2886 3.3532 3.3790 3.5450 3.6218 3.6247 3.6546 3.7979 3.8332 3.9568 3.9623 4.0939 4.1061 4.3285 4.3813 4.4015 4.4737 4.5185 4.5631 4.6207 4.6237 4.6585 4.7095 4.8032 4.8188 4.9555 5.0290 5.0409 5.0575 5.0964 5.1557 5.3426 5.3599 5.8360 5.8434 6.1589 6.1766 6.3038 6.3043 8.2831 8.3830 8.5221 8.5276 8.6690 8.7094 8.7576 8.8960 8.8978 9.0100 9.5589 9.5861 11.9525 11.9911 k = 0.1500 0.1500-0.0000 ( 6437 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6735 -25.6735 -25.6733 -25.6733 -7.0194 -7.0189 -6.1428 -6.1314 -6.0649 -6.0645 -6.0287 -6.0183 1.1502 1.1674 1.1927 1.2087 1.5673 1.5716 2.5981 2.6033 2.7835 2.7897 2.8245 2.8312 3.1965 3.1980 3.2815 3.3070 3.3625 3.3847 3.5718 3.6324 3.6504 3.6647 3.8020 3.8341 3.9489 3.9533 4.0723 4.0838 4.3418 4.3868 4.4112 4.4890 4.5243 4.5634 4.6282 4.6350 4.6579 4.7063 4.7909 4.8081 4.9666 5.0242 5.0523 5.0612 5.0989 5.1600 5.3201 5.3373 5.8838 5.8923 6.1806 6.1983 6.3071 6.3081 8.2780 8.3736 8.5153 8.5155 8.6485 8.6906 8.7393 8.8686 8.8709 8.9741 9.4665 9.4927 11.9495 11.9864 k = 0.1375 0.1375-0.0000 ( 6461 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6735 -25.6735 -25.6733 -25.6733 -7.0335 -7.0331 -6.1351 -6.1257 -6.0567 -6.0562 -6.0258 -6.0173 1.1327 1.1481 1.1691 1.1838 1.5464 1.5498 2.6245 2.6292 2.7820 2.7878 2.8200 2.8264 3.2175 3.2218 3.3006 3.3245 3.3721 3.3902 3.5976 3.6438 3.6715 3.6781 3.8055 3.8340 3.9405 3.9442 4.0506 4.0616 4.3550 4.3922 4.4221 4.5038 4.5304 4.5624 4.6352 4.6447 4.6600 4.7039 4.7787 4.7977 4.9764 5.0191 5.0637 5.0659 5.1029 5.1649 5.2992 5.3160 5.9323 5.9417 6.2008 6.2179 6.3093 6.3109 8.2755 8.3658 8.5040 8.5087 8.6272 8.6700 8.7241 8.8407 8.8466 8.9396 9.3747 9.3999 11.9478 11.9830 k = 0.1250 0.1250-0.0000 ( 6459 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6735 -25.6735 -25.6733 -25.6733 -7.0465 -7.0462 -6.1280 -6.1204 -6.0490 -6.0484 -6.0231 -6.0163 1.1164 1.1302 1.1470 1.1604 1.5270 1.5297 2.6491 2.6532 2.7810 2.7863 2.8158 2.8219 3.2367 3.2427 3.3190 3.3411 3.3819 3.3955 3.6221 3.6564 3.6834 3.6993 3.8084 3.8334 3.9317 3.9351 4.0291 4.0394 4.3676 4.3978 4.4341 4.5173 4.5370 4.5608 4.6416 4.6510 4.6660 4.7024 4.7669 4.7879 4.9842 5.0142 5.0722 5.0745 5.1083 5.1704 5.2801 5.2964 5.9812 5.9909 6.2192 6.2354 6.3109 6.3129 8.2757 8.3600 8.4930 8.5024 8.6056 8.6486 8.7116 8.8143 8.8231 8.9069 9.2843 9.3080 11.9476 11.9814 k = 0.1125 0.1125-0.0000 ( 6461 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6734 -25.6734 -25.6733 -25.6733 -7.0584 -7.0582 -6.1216 -6.1157 -6.0418 -6.0412 -6.0205 -6.0154 1.1014 1.1135 1.1266 1.1387 1.5092 1.5112 2.6713 2.6749 2.7802 2.7851 2.8120 2.8176 3.2542 3.2606 3.3366 3.3569 3.3916 3.4006 3.6449 3.6704 3.6944 3.7202 3.8109 3.8322 3.9224 3.9261 4.0076 4.0175 4.3795 4.4033 4.4471 4.5289 4.5438 4.5585 4.6475 4.6548 4.6748 4.7017 4.7558 4.7784 4.9896 5.0095 5.0804 5.0846 5.1149 5.1763 5.2628 5.2784 6.0296 6.0394 6.2358 6.2506 6.3117 6.3142 8.2789 8.3566 8.4824 8.4964 8.5843 8.6275 8.7012 8.7895 8.8001 8.8763 9.1958 9.2177 11.9484 11.9816 k = 0.1000 0.1000-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6734 -25.6734 -25.6732 -25.6732 -7.0692 -7.0690 -6.1159 -6.1115 -6.0353 -6.0347 -6.0182 -6.0145 1.0877 1.0984 1.1080 1.1188 1.4930 1.4944 2.6911 2.6942 2.7798 2.7843 2.8086 2.8137 3.2697 3.2756 3.3533 3.3718 3.4007 3.4055 3.6657 3.6860 3.7056 3.7394 3.8131 3.8307 3.9128 3.9172 3.9862 3.9959 4.3904 4.4086 4.4607 4.5382 4.5510 4.5560 4.6530 4.6578 4.6839 4.7018 4.7454 4.7694 4.9926 5.0052 5.0898 5.0938 5.1228 5.1825 5.2477 5.2624 6.0769 6.0863 6.2503 6.2635 6.3121 6.3150 8.2854 8.3558 8.4724 8.4910 8.5635 8.6073 8.6926 8.7667 8.7775 8.8481 9.1101 9.1297 11.9496 11.9838 k = 0.0875 0.0875-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0787 -7.0786 -6.1109 -6.1078 -6.0293 -6.0287 -6.0160 -6.0136 1.0756 1.0848 1.0914 1.1009 1.4784 1.4794 2.7082 2.7107 2.7802 2.7841 2.8057 2.8103 3.2831 3.2880 3.3688 3.3856 3.4089 3.4103 3.6847 3.7029 3.7173 3.7568 3.8150 3.8288 3.9029 3.9084 3.9651 3.9748 4.4004 4.4137 4.4746 4.5453 4.5537 4.5577 4.6580 4.6607 4.6923 4.7025 4.7360 4.7608 4.9937 5.0013 5.0990 5.1016 5.1325 5.1887 5.2347 5.2483 6.1223 6.1310 6.2629 6.2741 6.3123 6.3156 8.2953 8.3578 8.4634 8.4860 8.5441 8.5885 8.6855 8.7461 8.7553 8.8222 9.0282 9.0448 11.9493 11.9725 k = 0.0750 0.0750-0.0000 ( 6479 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0871 -7.0870 -6.1066 -6.1046 -6.0241 -6.0235 -6.0141 -6.0127 1.0650 1.0727 1.0769 1.0850 1.4657 1.4663 2.7222 2.7242 2.7815 2.7847 2.8032 2.8072 3.2945 3.2981 3.3831 3.3982 3.4148 3.4160 3.7025 3.7204 3.7294 3.7725 3.8168 3.8267 3.8927 3.8999 3.9443 3.9542 4.4094 4.4186 4.4885 4.5506 4.5516 4.5631 4.6624 4.6635 4.6996 4.7039 4.7280 4.7526 4.9935 4.9979 5.1066 5.1081 5.1438 5.1947 5.2241 5.2364 6.1645 6.1722 6.2733 6.2822 6.3126 6.3163 8.3088 8.3626 8.4560 8.4815 8.5265 8.5713 8.6794 8.7283 8.7333 8.7989 8.9513 8.9639 11.9453 11.9590 k = 0.0625 0.0625-0.0000 ( 6479 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0942 -7.0942 -6.1031 -6.1019 -6.0196 -6.0191 -6.0124 -6.0118 1.0560 1.0624 1.0645 1.0713 1.4548 1.4551 2.7329 2.7343 2.7839 2.7864 2.8012 2.8045 3.3039 3.3062 3.3959 3.4091 3.4190 3.4219 3.7200 3.7376 3.7420 3.7865 3.8184 3.8243 3.8824 3.8916 3.9240 3.9344 4.4172 4.4230 4.5019 4.5502 4.5544 4.5667 4.6661 4.6662 4.7058 4.7059 4.7215 4.7449 4.9926 4.9949 5.1123 5.1129 5.1563 5.2001 5.2158 5.2266 6.2027 6.2091 6.2815 6.2879 6.3134 6.3174 8.3258 8.3698 8.4513 8.4772 8.5121 8.5557 8.6733 8.7108 8.7140 8.7781 8.8812 8.8885 11.9373 11.9451 k = 0.0500 0.0500-0.0000 ( 6471 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6732 -25.6732 -7.1001 -7.1000 -6.1003 -6.0997 -6.0158 -6.0154 -6.0111 -6.0109 1.0487 1.0538 1.0544 1.0598 1.4458 1.4460 2.7405 2.7413 2.7873 2.7890 2.7996 2.8024 3.3113 3.3126 3.4071 3.4182 3.4228 3.4264 3.7375 3.7541 3.7549 3.7986 3.8199 3.8217 3.8722 3.8835 3.9043 3.9155 4.4238 4.4270 4.5146 4.5496 4.5567 4.5684 4.6685 4.6688 4.7083 4.7106 4.7169 4.7377 4.9914 4.9925 5.1160 5.1163 5.1690 5.2046 5.2100 5.2191 6.2357 6.2404 6.2873 6.2914 6.3153 6.3190 8.3455 8.3782 8.4511 8.4732 8.5020 8.5418 8.6647 8.6864 8.7044 8.7597 8.8205 8.8210 11.9281 11.9322 k = 0.0375 0.0375-0.0000 ( 6465 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6732 -25.6732 -7.1046 -7.1046 -6.0982 -6.0979 -6.0129 -6.0125 -6.0101 -6.0101 1.0431 1.0466 1.0469 1.0507 1.4387 1.4388 2.7452 2.7455 2.7911 2.7922 2.7985 2.8006 3.3169 3.3174 3.4165 3.4250 3.4262 3.4297 3.7551 3.7677 3.7695 3.8085 3.8187 3.8212 3.8628 3.8758 3.8858 3.8977 4.4289 4.4304 4.5264 4.5499 4.5577 4.5679 4.6705 4.6708 4.7109 4.7140 4.7143 4.7311 4.9902 4.9906 5.1182 5.1183 5.1807 5.2063 5.2076 5.2134 6.2621 6.2649 6.2908 6.2933 6.3186 6.3212 8.3662 8.3857 8.4578 8.4710 8.4969 8.5295 8.6497 8.6577 8.7002 8.7436 8.7659 8.7731 11.9193 11.9212 k = 0.0250 0.0250-0.0000 ( 6447 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6731 -25.6731 -7.1079 -7.1079 -6.0968 -6.0967 -6.0107 -6.0105 -6.0095 -6.0094 1.0393 1.0412 1.0418 1.0439 1.4336 1.4336 2.7479 2.7480 2.7945 2.7952 2.7979 2.7993 3.3207 3.3209 3.4238 3.4289 3.4296 3.4318 3.7724 3.7800 3.7839 3.8147 3.8152 3.8215 3.8555 3.8686 3.8697 3.8817 4.4326 4.4330 4.5371 4.5509 4.5575 4.5653 4.6719 4.6721 4.7134 4.7135 4.7161 4.7253 4.9892 4.9893 5.1194 5.1194 5.1909 5.2045 5.2086 5.2097 6.2808 6.2818 6.2928 6.2941 6.3228 6.3240 8.3837 8.3911 8.4724 8.4755 8.4961 8.5189 8.6238 8.6239 8.7007 8.7296 8.7301 8.7414 11.9123 11.9128 k = 0.0125 0.0125-0.0000 ( 6443 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1099 -7.1099 -6.0959 -6.0959 -6.0094 -6.0093 -6.0091 -6.0090 1.0373 1.0381 1.0386 1.0394 1.4306 1.4306 2.7492 2.7492 2.7969 2.7972 2.7977 2.7983 3.3229 3.3229 3.4290 3.4309 3.4317 3.4327 3.7882 3.7907 3.7972 3.8111 3.8144 3.8188 3.8533 3.8595 3.8621 3.8681 4.4347 4.4348 4.5465 4.5526 4.5563 4.5608 4.6728 4.6728 4.7144 4.7154 4.7170 4.7204 4.9885 4.9885 5.1199 5.1199 5.1990 5.2041 5.2065 5.2081 6.2911 6.2912 6.2937 6.2944 6.3267 6.3269 8.3933 8.3943 8.4900 8.4920 8.4984 8.5101 8.5904 8.5911 8.7048 8.7144 8.7181 8.7230 11.9076 11.9077 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1105 -7.1105 -6.0956 -6.0956 -6.0089 -6.0089 -6.0089 -6.0089 1.0373 1.0373 1.0373 1.0373 1.4295 1.4295 2.7496 2.7496 2.7978 2.7978 2.7978 2.7978 3.3236 3.3236 3.4319 3.4319 3.4319 3.4319 3.7965 3.7965 3.8096 3.8096 3.8096 3.8096 3.8580 3.8580 3.8580 3.8580 4.4354 4.4354 4.5545 4.5545 4.5545 4.5545 4.6731 4.6731 4.7167 4.7167 4.7167 4.7167 4.9882 4.9882 5.1200 5.1200 5.2047 5.2047 5.2047 5.2047 6.2942 6.2942 6.2942 6.2942 6.3282 6.3282 8.3956 8.3956 8.5031 8.5031 8.5031 8.5031 8.5729 8.5729 8.7120 8.7120 8.7120 8.7120 11.9060 11.9060 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1105 -7.1105 -6.0956 -6.0956 -6.0089 -6.0089 -6.0089 -6.0089 1.0373 1.0373 1.0373 1.0373 1.4295 1.4295 2.7496 2.7496 2.7978 2.7978 2.7978 2.7978 3.3236 3.3236 3.4319 3.4319 3.4319 3.4319 3.7965 3.7965 3.8096 3.8096 3.8096 3.8096 3.8580 3.8580 3.8580 3.8580 4.4354 4.4354 4.5545 4.5545 4.5545 4.5545 4.6731 4.6731 4.7167 4.7167 4.7167 4.7167 4.9882 4.9882 5.1200 5.1200 5.2047 5.2047 5.2047 5.2047 6.2942 6.2942 6.2942 6.2942 6.3282 6.3282 8.3956 8.3956 8.5031 8.5031 8.5031 8.5031 8.5729 8.5729 8.7120 8.7120 8.7120 8.7120 11.9060 11.9060 k = 0.0102 0.0102 0.0102 ( 6445 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6731 -25.6731 -25.6731 -25.6731 -7.1099 -7.1099 -6.0959 -6.0959 -6.0093 -6.0092 -6.0092 -6.0091 1.0373 1.0383 1.0383 1.0394 1.4306 1.4306 2.7492 2.7492 2.7971 2.7971 2.7976 2.7983 3.3229 3.3229 3.4289 3.4313 3.4313 3.4326 3.7898 3.7898 3.7963 3.8128 3.8128 3.8186 3.8537 3.8608 3.8608 3.8680 4.4347 4.4347 4.5462 4.5545 4.5545 4.5610 4.6728 4.6728 4.7143 4.7161 4.7161 4.7206 4.9885 4.9885 5.1199 5.1199 5.1987 5.2054 5.2054 5.2081 6.2910 6.2910 6.2939 6.2945 6.3268 6.3268 8.3938 8.3938 8.4912 8.4912 8.4976 8.5105 8.5907 8.5907 8.7045 8.7166 8.7166 8.7227 11.9076 11.9076 k = 0.0204 0.0204 0.0204 ( 6454 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6731 -25.6731 -7.1079 -7.1079 -6.0967 -6.0967 -6.0102 -6.0101 -6.0101 -6.0098 1.0395 1.0415 1.0415 1.0437 1.4336 1.4336 2.7479 2.7479 2.7950 2.7950 2.7976 2.7992 3.3208 3.3208 3.4238 3.4296 3.4296 3.4310 3.7776 3.7776 3.7821 3.8147 3.8147 3.8183 3.8601 3.8688 3.8688 3.8803 4.4328 4.4328 4.5365 4.5544 4.5544 4.5656 4.6720 4.6720 4.7137 4.7144 4.7144 4.7257 4.9892 4.9892 5.1194 5.1194 5.1900 5.2074 5.2074 5.2088 6.2805 6.2805 6.2934 6.2947 6.3236 6.3236 8.3874 8.3874 8.4747 8.4747 8.4939 8.5195 8.6236 8.6236 8.7002 8.7328 8.7328 8.7364 11.9125 11.9125 k = 0.0306 0.0306 0.0306 ( 6472 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6732 -25.6732 -7.1046 -7.1046 -6.0980 -6.0980 -6.0116 -6.0115 -6.0115 -6.0110 1.0437 1.0467 1.0467 1.0502 1.4387 1.4387 2.7455 2.7455 2.7920 2.7920 2.7980 2.8003 3.3172 3.3172 3.4166 3.4268 3.4268 3.4269 3.7642 3.7642 3.7681 3.8120 3.8126 3.8126 3.8737 3.8807 3.8807 3.8941 4.4297 4.4297 4.5255 4.5542 4.5542 4.5680 4.6705 4.6705 4.7117 4.7117 4.7150 4.7319 4.9904 4.9904 5.1181 5.1181 5.1789 5.2070 5.2114 5.2114 6.2613 6.2613 6.2929 6.2947 6.3204 6.3204 8.3757 8.3757 8.4670 8.4670 8.4921 8.5298 8.6524 8.6524 8.6995 8.7530 8.7662 8.7662 11.9201 11.9201 k = 0.0408 0.0408 0.0408 ( 6472 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6732 -25.6732 -25.6732 -25.6732 -7.1001 -7.1001 -6.0999 -6.0999 -6.0136 -6.0135 -6.0135 -6.0128 1.0501 1.0539 1.0539 1.0587 1.4458 1.4458 2.7413 2.7413 2.7886 2.7886 2.7987 2.8017 3.3122 3.3122 3.4075 3.4204 3.4229 3.4229 3.7503 3.7503 3.7548 3.8042 3.8072 3.8072 3.8899 3.8948 3.8948 3.9090 4.4255 4.4255 4.5134 4.5537 4.5537 4.5685 4.6685 4.6685 4.7083 4.7083 4.7182 4.7388 4.9919 4.9919 5.1159 5.1159 5.1654 5.2029 5.2177 5.2177 6.2337 6.2337 6.2922 6.2944 6.3176 6.3176 8.3610 8.3610 8.4683 8.4683 8.4921 8.5410 8.6729 8.6729 8.7024 8.7723 8.8178 8.8178 11.9296 11.9296 k = 0.0510 0.0510 0.0510 ( 6478 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6732 -25.6732 -7.0942 -7.0942 -6.1022 -6.1022 -6.0161 -6.0161 -6.0161 -6.0151 1.0585 1.0631 1.0631 1.0693 1.4549 1.4549 2.7345 2.7345 2.7855 2.7855 2.7997 2.8034 3.3057 3.3057 3.3966 3.4114 3.4180 3.4180 3.7364 3.7364 3.7423 3.7964 3.7992 3.7992 3.9070 3.9101 3.9101 3.9247 4.4203 4.4203 4.5005 4.5529 4.5529 4.5669 4.6656 4.6656 4.7046 4.7046 4.7232 4.7463 4.9937 4.9937 5.1124 5.1124 5.1501 5.1970 5.2269 5.2269 6.1986 6.1986 6.2911 6.2938 6.3148 6.3148 8.3467 8.3467 8.4756 8.4756 8.4937 8.5527 8.6888 8.6888 8.7093 8.7942 8.8820 8.8820 11.9400 11.9400 k = 0.0612 0.0612 0.0612 ( 6487 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6733 -25.6733 -7.0871 -7.0871 -6.1051 -6.1051 -6.0192 -6.0192 -6.0191 -6.0180 1.0689 1.0743 1.0743 1.0819 1.4658 1.4658 2.7248 2.7248 2.7834 2.7834 2.8009 2.8053 3.2977 3.2977 3.3840 3.3999 3.4120 3.4120 3.7224 3.7224 3.7308 3.7889 3.7889 3.7889 3.9245 3.9261 3.9261 3.9413 4.4143 4.4143 4.4869 4.5516 4.5516 4.5637 4.6615 4.6615 4.7012 4.7012 4.7297 4.7542 4.9957 4.9957 5.1078 5.1078 5.1333 5.1895 5.2391 5.2391 6.1574 6.1574 6.2897 6.2927 6.3118 6.3118 8.3349 8.3349 8.4866 8.4866 8.4966 8.5643 8.7039 8.7039 8.7203 8.8185 8.9541 8.9541 11.9504 11.9504 k = 0.0714 0.0714 0.0714 ( 6478 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6733 -25.6733 -7.0787 -7.0787 -6.1084 -6.1084 -6.0228 -6.0228 -6.0226 -6.0213 1.0812 1.0873 1.0873 1.0965 1.4785 1.4785 2.7119 2.7119 2.7824 2.7824 2.8026 2.8076 3.2882 3.2882 3.3698 3.3860 3.4053 3.4053 3.7086 3.7086 3.7203 3.7766 3.7766 3.7819 3.9423 3.9425 3.9425 3.9585 4.4076 4.4076 4.4727 4.5497 4.5497 4.5592 4.6561 4.6561 4.6986 4.6986 4.7374 4.7624 4.9977 4.9977 5.1024 5.1024 5.1155 5.1810 5.2545 5.2545 6.1111 6.1111 6.2877 6.2910 6.3084 6.3084 8.3263 8.3263 8.4999 8.4999 8.5008 8.5758 8.7198 8.7198 8.7352 8.8451 9.0313 9.0313 11.9600 11.9600 k = 0.0816 0.0816 0.0816 ( 6466 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6733 -25.6733 -25.6733 -25.6733 -7.0691 -7.0691 -6.1122 -6.1122 -6.0269 -6.0269 -6.0265 -6.0250 1.0953 1.1020 1.1020 1.1129 1.4930 1.4930 2.6959 2.6959 2.7825 2.7825 2.8046 2.8101 3.2771 3.2771 3.3542 3.3699 3.3978 3.3978 3.6945 3.6945 3.7108 3.7626 3.7626 3.7753 3.9589 3.9589 3.9601 3.9764 4.4003 4.4003 4.4580 4.5470 4.5470 4.5536 4.6493 4.6493 4.6971 4.6971 4.7460 4.7709 4.9996 4.9996 5.0966 5.0966 5.0971 5.1717 5.2727 5.2727 6.0608 6.0608 6.2851 6.2885 6.3043 6.3043 8.3212 8.3212 8.5060 8.5145 8.5145 8.5867 8.7375 8.7375 8.7538 8.8736 9.1118 9.1118 11.9684 11.9684 k = 0.0918 0.0918 0.0918 ( 6472 PWs) bands (ev): -61.4031 -61.4031 -34.3236 -34.3236 -25.6734 -25.6734 -25.6733 -25.6733 -7.0583 -7.0583 -6.1165 -6.1165 -6.0315 -6.0315 -6.0310 -6.0293 1.1111 1.1184 1.1184 1.1311 1.5090 1.5090 2.6771 2.6771 2.7832 2.7832 2.8068 2.8128 3.2645 3.2645 3.3373 3.3516 3.3896 3.3896 3.6800 3.6800 3.7021 3.7473 3.7473 3.7691 3.9753 3.9753 3.9778 3.9948 4.3927 4.3927 4.4430 4.5435 4.5435 4.5472 4.6413 4.6413 4.6970 4.6970 4.7551 4.7793 5.0013 5.0013 5.0786 5.0908 5.0908 5.1621 5.2936 5.2936 6.0074 6.0074 6.2817 6.2852 6.2994 6.2994 8.3196 8.3196 8.5120 8.5298 8.5298 8.5973 8.7572 8.7572 8.7757 8.9038 9.1942 9.1942 11.9753 11.9753 k = 0.1020 0.1020 0.1020 ( 6475 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6734 -25.6734 -25.6734 -25.6734 -7.0463 -7.0463 -6.1211 -6.1211 -6.0365 -6.0365 -6.0358 -6.0340 1.1285 1.1363 1.1363 1.1509 1.5265 1.5265 2.6557 2.6557 2.7845 2.7845 2.8093 2.8157 3.2505 3.2505 3.3192 3.3315 3.3809 3.3809 3.6646 3.6646 3.6943 3.7312 3.7312 3.7631 3.9915 3.9915 3.9955 4.0136 4.3848 4.3848 4.4277 4.5392 4.5392 4.5401 4.6325 4.6325 4.6980 4.6980 4.7646 4.7879 5.0027 5.0027 5.0604 5.0854 5.0854 5.1526 5.3170 5.3170 5.9517 5.9517 6.2775 6.2810 6.2938 6.2938 8.3214 8.3214 8.5186 8.5454 8.5454 8.6077 8.7791 8.7791 8.8002 8.9355 9.2774 9.2774 11.9804 11.9804 k = 0.1122 0.1122 0.1122 ( 6469 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6734 -25.6734 -25.6734 -25.6734 -7.0332 -7.0332 -6.1262 -6.1262 -6.0420 -6.0420 -6.0410 -6.0390 1.1474 1.1555 1.1555 1.1722 1.5454 1.5454 2.6321 2.6321 2.7864 2.7864 2.8122 2.8189 3.2350 3.2350 3.3002 3.3098 3.3718 3.3718 3.6475 3.6475 3.6871 3.7151 3.7151 3.7573 4.0074 4.0074 4.0128 4.0327 4.3770 4.3770 4.4123 4.5327 4.5340 4.5340 4.6235 4.6235 4.7001 4.7001 4.7743 4.7964 5.0039 5.0039 5.0432 5.0807 5.0807 5.1434 5.3428 5.3428 5.8947 5.8947 6.2724 6.2758 6.2873 6.2873 8.3263 8.3263 8.5256 8.5610 8.5610 8.6179 8.8033 8.8033 8.8268 8.9682 9.3602 9.3602 11.9834 11.9834 k = 0.1224 0.1224 0.1224 ( 6469 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6735 -25.6735 -25.6735 -25.6735 -7.0190 -7.0190 -6.1316 -6.1316 -6.0479 -6.0479 -6.0466 -6.0445 1.1675 1.1760 1.1760 1.1950 1.5654 1.5654 2.6062 2.6062 2.7885 2.7885 2.8153 2.8221 3.2183 3.2183 3.2804 3.2867 3.3623 3.3623 3.6283 3.6283 3.6805 3.6996 3.6996 3.7515 4.0229 4.0229 4.0299 4.0520 4.3692 4.3692 4.3971 4.5252 4.5280 4.5280 4.6145 4.6145 4.7032 4.7032 4.7839 4.8048 5.0048 5.0048 5.0271 5.0767 5.0767 5.1349 5.3707 5.3707 5.8368 5.8368 6.2666 6.2697 6.2801 6.2801 8.3343 8.3343 8.5328 8.5763 8.5763 8.6280 8.8296 8.8296 8.8550 9.0020 9.4417 9.4417 11.9840 11.9840 k = 0.1327 0.1327 0.1327 ( 6454 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6735 -25.6735 -25.6735 -25.6735 -7.0038 -7.0038 -6.1373 -6.1373 -6.0541 -6.0541 -6.0526 -6.0503 1.1889 1.1976 1.1976 1.2189 1.5863 1.5863 2.5785 2.5785 2.7911 2.7911 2.8188 2.8256 3.2006 3.2006 3.2599 3.2626 3.3525 3.3525 3.6063 3.6063 3.6744 3.6852 3.6852 3.7458 4.0377 4.0377 4.0465 4.0714 4.3618 4.3618 4.3824 4.5178 4.5213 4.5213 4.6059 4.6059 4.7071 4.7071 4.7932 4.8132 5.0055 5.0055 5.0128 5.0734 5.0734 5.1273 5.4005 5.4005 5.7786 5.7786 6.2599 6.2626 6.2720 6.2720 8.3452 8.3452 8.5402 8.5914 8.5914 8.6382 8.8577 8.8577 8.8844 9.0363 9.5207 9.5207 11.9823 11.9823 k = 0.1429 0.1429 0.1429 ( 6448 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6735 -25.6735 -25.6735 -25.6735 -6.9875 -6.9875 -6.1434 -6.1434 -6.0606 -6.0606 -6.0588 -6.0565 1.2112 1.2200 1.2200 1.2440 1.6080 1.6080 2.5489 2.5489 2.7938 2.7938 2.8225 2.8291 3.1820 3.1820 3.2378 3.2390 3.3425 3.3425 3.5816 3.5816 3.6685 3.6722 3.6722 3.7400 4.0518 4.0518 4.0626 4.0906 4.3548 4.3548 4.3682 4.5107 4.5141 4.5141 4.5980 4.5980 4.7118 4.7118 4.8019 4.8215 5.0005 5.0061 5.0061 5.0709 5.0709 5.1208 5.4321 5.4321 5.7208 5.7208 6.2523 6.2547 6.2631 6.2631 8.3586 8.3586 8.5474 8.6062 8.6062 8.6483 8.8875 8.8875 8.9147 9.0711 9.5964 9.5964 11.9786 11.9786 k = 0.1531 0.1531 0.1531 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6736 -25.6736 -25.6736 -25.6736 -6.9703 -6.9703 -6.1497 -6.1497 -6.0675 -6.0675 -6.0654 -6.0629 1.2343 1.2431 1.2431 1.2699 1.6301 1.6301 2.5176 2.5176 2.7967 2.7967 2.8264 2.8326 3.1629 3.1629 3.2126 3.2178 3.3322 3.3322 3.5546 3.5546 3.6604 3.6604 3.6627 3.7340 4.0649 4.0649 4.0780 4.1094 4.3484 4.3484 4.3548 4.5042 4.5065 4.5065 4.5907 4.5907 4.7172 4.7172 4.8099 4.8296 4.9905 5.0067 5.0067 5.0688 5.0688 5.1153 5.4653 5.4653 5.6636 5.6636 6.2440 6.2459 6.2536 6.2536 8.3744 8.3744 8.5545 8.6209 8.6209 8.6584 8.9187 8.9187 8.9455 9.1061 9.6680 9.6680 11.9734 11.9734 k = 0.1633 0.1633 0.1633 ( 6448 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6736 -25.6736 -25.6736 -25.6736 -6.9522 -6.9522 -6.1563 -6.1563 -6.0746 -6.0746 -6.0721 -6.0696 1.2581 1.2667 1.2667 1.2964 1.6523 1.6523 2.4851 2.4851 2.7997 2.7997 2.8306 2.8360 3.1435 3.1435 3.1874 3.1967 3.3218 3.3218 3.5257 3.5257 3.6496 3.6496 3.6571 3.7277 4.0770 4.0770 4.0928 4.1277 4.3428 4.3428 4.3428 4.4984 4.4989 4.4989 4.5843 4.5843 4.7233 4.7233 4.8168 4.8376 4.9834 5.0075 5.0075 5.0670 5.0670 5.1111 5.4998 5.4998 5.6078 5.6078 6.2351 6.2364 6.2434 6.2434 8.3922 8.3922 8.5613 8.6356 8.6356 8.6684 8.9510 8.9510 8.9767 9.1413 9.7348 9.7348 11.9674 11.9674 k = 0.1735 0.1735 0.1735 ( 6457 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6737 -25.6737 -25.6737 -25.6737 -6.9332 -6.9332 -6.1631 -6.1631 -6.0819 -6.0819 -6.0792 -6.0765 1.2822 1.2904 1.2904 1.3235 1.6744 1.6744 2.4514 2.4514 2.8028 2.8028 2.8350 2.8393 3.1242 3.1242 3.1626 3.1757 3.3111 3.3111 3.4955 3.4955 3.6394 3.6394 3.6514 3.7210 4.0879 4.0879 4.1067 4.1449 4.3323 4.3380 4.3380 4.4915 4.4915 4.4936 4.5785 4.5785 4.7301 4.7301 4.8224 4.8455 4.9791 5.0084 5.0084 5.0653 5.0653 5.1082 5.5334 5.5334 5.5556 5.5556 6.2257 6.2263 6.2328 6.2328 8.4118 8.4118 8.5677 8.6506 8.6506 8.6781 8.9841 8.9841 9.0082 9.1764 9.7963 9.7963 11.9611 11.9611 k = 0.1837 0.1837 0.1837 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3237 -34.3237 -25.6738 -25.6738 -25.6738 -25.6738 -6.9135 -6.9135 -6.1701 -6.1701 -6.0894 -6.0894 -6.0864 -6.0836 1.3065 1.3142 1.3142 1.3507 1.6960 1.6960 2.4169 2.4169 2.8059 2.8059 2.8396 2.8422 3.1054 3.1054 3.1386 3.1553 3.3001 3.3001 3.4647 3.4647 3.6296 3.6296 3.6456 3.7140 4.0977 4.0977 4.1198 4.1607 4.3240 4.3341 4.3341 4.4846 4.4846 4.4899 4.5734 4.5734 4.7376 4.7376 4.8264 4.8532 4.9779 5.0093 5.0093 5.0635 5.0635 5.1064 5.4989 5.4989 5.5747 5.5747 6.2158 6.2158 6.2218 6.2218 8.4326 8.4326 8.5736 8.6661 8.6661 8.6876 9.0180 9.0180 9.0399 9.2114 9.8520 9.8520 11.9549 11.9549 k = 0.1939 0.1939 0.1939 ( 6457 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6738 -25.6738 -25.6738 -25.6738 -6.8930 -6.8930 -6.1772 -6.1772 -6.0970 -6.0970 -6.0937 -6.0909 1.3307 1.3376 1.3376 1.3778 1.7166 1.7166 2.3817 2.3817 2.8090 2.8090 2.8444 2.8447 3.0874 3.0874 3.1159 3.1356 3.2888 3.2888 3.4339 3.4339 3.6201 3.6201 3.6397 3.7066 4.1062 4.1062 4.1320 4.1744 4.3184 4.3311 4.3311 4.4783 4.4783 4.4875 4.5689 4.5689 4.7456 4.7456 4.8290 4.8608 4.9797 5.0102 5.0102 5.0617 5.0617 5.1060 5.4487 5.4487 5.6129 5.6129 6.2050 6.2058 6.2107 6.2107 8.4541 8.4541 8.5790 8.6825 8.6825 8.6966 9.0523 9.0523 9.0717 9.2462 9.9019 9.9019 11.9490 11.9490 k = 0.2041 0.2041 0.2041 ( 6445 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6739 -25.6739 -25.6739 -25.6739 -6.8719 -6.8719 -6.1845 -6.1845 -6.1047 -6.1047 -6.1012 -6.0983 1.3547 1.3605 1.3605 1.4047 1.7358 1.7358 2.3463 2.3463 2.8120 2.8120 2.8466 2.8493 3.0706 3.0706 3.0949 3.1170 3.2770 3.2770 3.4038 3.4038 3.6108 3.6108 3.6335 3.6987 4.1135 4.1135 4.1435 4.1856 4.3162 4.3290 4.3290 4.4727 4.4727 4.4863 4.5649 4.5649 4.7542 4.7542 4.8301 4.8682 4.9844 5.0106 5.0106 5.0598 5.0598 5.1067 5.4008 5.4008 5.6522 5.6522 6.1943 6.1959 6.1996 6.1996 8.4760 8.4760 8.5839 8.7002 8.7002 8.7051 9.0869 9.0869 9.1036 9.2807 9.9460 9.9460 11.9433 11.9433 k = 0.2143 0.2143 0.2143 ( 6457 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6740 -25.6740 -25.6739 -25.6739 -6.8503 -6.8503 -6.1918 -6.1918 -6.1126 -6.1126 -6.1087 -6.1059 1.3781 1.3825 1.3825 1.4309 1.7529 1.7529 2.3109 2.3109 2.8149 2.8149 2.8477 2.8543 3.0554 3.0554 3.0762 3.0996 3.2644 3.2644 3.3751 3.3751 3.6015 3.6015 3.6271 3.6902 4.1198 4.1198 4.1542 4.1937 4.3175 4.3276 4.3276 4.4679 4.4679 4.4863 4.5613 4.5613 4.7632 4.7632 4.8300 4.8752 4.9914 5.0096 5.0096 5.0582 5.0582 5.1084 5.3558 5.3558 5.6925 5.6925 6.1838 6.1862 6.1888 6.1888 8.4974 8.4974 8.5883 8.7130 8.7195 8.7195 9.1217 9.1217 9.1356 9.3149 9.9845 9.9845 11.9377 11.9377 k = 0.2245 0.2245 0.2245 ( 6451 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6740 -25.6740 -25.6740 -25.6740 -6.8281 -6.8281 -6.1992 -6.1992 -6.1204 -6.1204 -6.1163 -6.1134 1.4007 1.4035 1.4035 1.4563 1.7675 1.7675 2.2759 2.2759 2.8177 2.8177 2.8479 2.8593 3.0420 3.0420 3.0602 3.0839 3.2510 3.2510 3.3486 3.3486 3.5922 3.5922 3.6204 3.6814 4.1251 4.1251 4.1643 4.1990 4.3226 4.3269 4.3269 4.4640 4.4640 4.4874 4.5581 4.5581 4.7725 4.7725 4.8289 4.8820 5.0004 5.0066 5.0066 5.0574 5.0574 5.1112 5.3144 5.3144 5.7336 5.7336 6.1738 6.1770 6.1785 6.1785 8.5180 8.5180 8.5921 8.7202 8.7408 8.7408 9.1564 9.1564 9.1676 9.3486 10.0179 10.0179 11.9217 11.9320 k = 0.2347 0.2347 0.2347 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6741 -25.6741 -25.6741 -25.6741 -6.8055 -6.8055 -6.2067 -6.2067 -6.1283 -6.1283 -6.1240 -6.1211 1.4223 1.4231 1.4231 1.4805 1.7788 1.7788 2.2417 2.2417 2.8204 2.8204 2.8471 2.8643 3.0308 3.0308 3.0472 3.0700 3.2367 3.2367 3.3250 3.3250 3.5829 3.5829 3.6134 3.6720 4.1297 4.1297 4.1740 4.2019 4.3268 4.3268 4.3305 4.4607 4.4607 4.4896 4.5553 4.5553 4.7819 4.7819 4.8272 4.8883 5.0004 5.0004 5.0107 5.0578 5.0578 5.1148 5.2770 5.2770 5.7753 5.7753 6.1646 6.1686 6.1689 6.1689 8.5371 8.5371 8.5953 8.7268 8.7642 8.7642 9.1909 9.1909 9.1995 9.3817 10.0468 10.0468 11.8865 11.9159 k = 0.2449 0.2449 0.2449 ( 6463 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6742 -25.6742 -25.6742 -25.6741 -6.7826 -6.7826 -6.2141 -6.2141 -6.1361 -6.1361 -6.1316 -6.1287 1.4410 1.4410 1.4426 1.5033 1.7865 1.7865 2.2086 2.2086 2.8232 2.8232 2.8453 2.8692 3.0220 3.0220 3.0375 3.0583 3.2216 3.2216 3.3046 3.3046 3.5735 3.5735 3.6062 3.6622 4.1338 4.1338 4.1834 4.2034 4.3272 4.3272 4.3406 4.4581 4.4581 4.4926 4.5527 4.5527 4.7912 4.7912 4.8248 4.8941 4.9904 4.9904 5.0221 5.0596 5.0596 5.1192 5.2440 5.2440 5.8174 5.8174 6.1566 6.1604 6.1604 6.1614 8.5545 8.5545 8.5981 8.7325 8.7900 8.7900 9.2250 9.2250 9.2314 9.4141 10.0718 10.0718 11.8457 11.8799 k = 0.2551 0.2551 0.2551 ( 6457 PWs) bands (ev): -61.4031 -61.4031 -34.3239 -34.3239 -25.6742 -25.6742 -25.6742 -25.6742 -6.7594 -6.7594 -6.2215 -6.2215 -6.1439 -6.1439 -6.1391 -6.1362 1.4572 1.4572 1.4615 1.5243 1.7899 1.7899 2.1770 2.1770 2.8261 2.8261 2.8429 2.8741 3.0156 3.0156 3.0311 3.0488 3.2064 3.2064 3.2873 3.2873 3.5641 3.5641 3.5986 3.6520 4.1375 4.1375 4.1926 4.2042 4.3280 4.3280 4.3519 4.4560 4.4560 4.4962 4.5504 4.5504 4.8002 4.8002 4.8221 4.8993 4.9767 4.9767 5.0341 5.0623 5.0623 5.1241 5.2160 5.2160 5.8599 5.8599 6.1501 6.1533 6.1533 6.1556 8.5700 8.5700 8.6005 8.7376 8.8178 8.8178 9.2586 9.2586 9.2630 9.4458 10.0937 10.0937 11.7991 11.8381 k = 0.2653 0.2653 0.2653 ( 6457 PWs) bands (ev): -61.4031 -61.4031 -34.3239 -34.3239 -25.6743 -25.6743 -25.6743 -25.6743 -6.7361 -6.7361 -6.2288 -6.2288 -6.1515 -6.1515 -6.1466 -6.1438 1.4713 1.4713 1.4788 1.5434 1.7887 1.7887 2.1468 2.1468 2.8294 2.8294 2.8402 2.8789 3.0116 3.0116 3.0278 3.0417 3.1922 3.1922 3.2727 3.2727 3.5546 3.5546 3.5908 3.6415 4.1410 4.1410 4.2019 4.2051 4.3290 4.3290 4.3637 4.4542 4.4542 4.5003 4.5483 4.5483 4.8088 4.8088 4.8190 4.9038 4.9596 4.9596 5.0461 5.0653 5.0653 5.1293 5.1930 5.1930 5.9025 5.9025 6.1455 6.1479 6.1479 6.1518 8.5838 8.5838 8.6024 8.7419 8.8474 8.8474 9.2913 9.2913 9.2942 9.4764 10.1133 10.1133 11.7465 11.7904 k = 0.2755 0.2755 0.2755 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6743 -25.6743 -25.6743 -25.6743 -6.7127 -6.7127 -6.2360 -6.2360 -6.1591 -6.1591 -6.1540 -6.1512 1.4832 1.4832 1.4944 1.5603 1.7828 1.7828 2.1182 2.1182 2.8333 2.8333 2.8378 2.8837 3.0100 3.0100 3.0271 3.0372 3.1798 3.1798 3.2603 3.2603 3.5450 3.5450 3.5828 3.6306 4.1444 4.1444 4.2063 4.2114 4.3304 4.3304 4.3756 4.4528 4.4528 4.5047 4.5465 4.5465 4.8156 4.8168 4.8168 4.9075 4.9398 4.9398 5.0579 5.0677 5.0677 5.1344 5.1750 5.1750 5.9452 5.9452 6.1432 6.1446 6.1446 6.1502 8.5959 8.5959 8.6041 8.7455 8.8784 8.8784 9.3230 9.3230 9.3248 9.5058 10.1313 10.1313 11.6882 11.7366 k = 0.2857 0.2857 0.2857 ( 6454 PWs) bands (ev): -61.4031 -61.4031 -34.3239 -34.3239 -25.6744 -25.6744 -25.6744 -25.6744 -6.6894 -6.6894 -6.2431 -6.2431 -6.1664 -6.1664 -6.1613 -6.1585 1.4929 1.4929 1.5080 1.5749 1.7725 1.7725 2.0907 2.0907 2.8363 2.8380 2.8380 2.8885 3.0104 3.0104 3.0287 3.0350 3.1702 3.1702 3.2494 3.2494 3.5354 3.5354 3.5745 3.6195 4.1478 4.1478 4.2083 4.2211 4.3320 4.3320 4.3873 4.4514 4.4514 4.5092 4.5447 4.5447 4.8119 4.8240 4.8240 4.9103 4.9182 4.9182 5.0688 5.0688 5.0690 5.1391 5.1618 5.1618 5.9878 5.9878 6.1434 6.1438 6.1438 6.1512 8.6056 8.6065 8.6065 8.7486 8.9101 8.9101 9.3534 9.3534 9.3546 9.5336 10.1484 10.1484 11.6242 11.6769 k = 0.2959 0.2959 0.2959 ( 6433 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6744 -25.6744 -25.6744 -25.6744 -6.6662 -6.6662 -6.2501 -6.2501 -6.1736 -6.1736 -6.1684 -6.1657 1.5004 1.5004 1.5198 1.5870 1.7584 1.7584 2.0640 2.0640 2.8360 2.8436 2.8436 2.8936 3.0129 3.0129 3.0322 3.0350 3.1638 3.1638 3.2399 3.2399 3.5258 3.5258 3.5661 3.6083 4.1513 4.1513 4.2111 4.2313 4.3339 4.3339 4.3986 4.4502 4.4502 4.5137 4.5432 4.5432 4.8080 4.8302 4.8302 4.8960 4.8960 4.9124 5.0677 5.0677 5.0791 5.1431 5.1528 5.1528 6.0301 6.0301 6.1457 6.1457 6.1467 6.1551 8.6070 8.6160 8.6160 8.7511 8.9422 8.9422 9.3821 9.3821 9.3833 9.5597 10.1653 10.1653 11.5552 11.6116 k = 0.3061 0.3061 0.3061 ( 6421 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6745 -25.6745 -25.6744 -25.6744 -6.6432 -6.6432 -6.2569 -6.2569 -6.1805 -6.1805 -6.1753 -6.1727 1.5055 1.5055 1.5297 1.5966 1.7411 1.7411 2.0376 2.0376 2.8374 2.8504 2.8504 2.8990 3.0171 3.0171 3.0371 3.0372 3.1609 3.1609 3.2315 3.2315 3.5162 3.5162 3.5575 3.5969 4.1549 4.1549 4.2149 4.2419 4.3360 4.3360 4.4095 4.4489 4.4489 4.5181 4.5416 4.5416 4.8038 4.8352 4.8352 4.8741 4.8741 4.9136 5.0641 5.0641 5.0878 5.1460 5.1476 5.1476 6.0717 6.0717 6.1509 6.1509 6.1532 6.1623 8.6085 8.6246 8.6246 8.7531 8.9741 8.9741 9.4089 9.4089 9.4105 9.5836 10.1826 10.1826 11.4818 11.5414 k = 0.3163 0.3163 0.3163 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6746 -25.6746 -25.6745 -25.6745 -6.6206 -6.6206 -6.2636 -6.2636 -6.1872 -6.1872 -6.1820 -6.1794 1.5084 1.5084 1.5376 1.6038 1.7216 1.7216 2.0109 2.0109 2.8405 2.8583 2.8583 2.9049 3.0227 3.0227 3.0410 3.0431 3.1614 3.1614 3.2240 3.2240 3.5067 3.5067 3.5488 3.5854 4.1585 4.1585 4.2197 4.2530 4.3384 4.3384 4.4198 4.4474 4.4474 4.5223 4.5400 4.5400 4.7993 4.8370 4.8370 4.8551 4.8551 4.9139 5.0581 5.0581 5.0948 5.1447 5.1447 5.1474 6.1123 6.1123 6.1598 6.1598 6.1631 6.1730 8.6100 8.6325 8.6325 8.7548 9.0053 9.0053 9.4332 9.4332 9.4357 9.6050 10.2006 10.2006 11.4050 11.4672 k = 0.3265 0.3265 0.3265 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6746 -25.6746 -25.6746 -25.6746 -6.5984 -6.5984 -6.2700 -6.2700 -6.1937 -6.1937 -6.1885 -6.1860 1.5092 1.5092 1.5438 1.6086 1.7006 1.7006 1.9836 1.9836 2.8455 2.8672 2.8672 2.9113 3.0295 3.0295 3.0464 3.0500 3.1651 3.1651 3.2178 3.2178 3.4972 3.4972 3.5401 3.5739 4.1622 4.1622 4.2256 4.2646 4.3411 4.3411 4.4294 4.4457 4.4457 4.5261 4.5384 4.5384 4.7946 4.8267 4.8267 4.8487 4.8487 4.9135 5.0504 5.0504 5.0998 5.1430 5.1430 5.1471 6.1500 6.1500 6.1742 6.1742 6.1767 6.1872 8.6118 8.6399 8.6399 8.7562 9.0355 9.0355 9.4548 9.4548 9.4586 9.6232 10.2198 10.2198 11.3258 11.3901 k = 0.3367 0.3367 0.3367 ( 6431 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6747 -25.6747 -25.6746 -25.6746 -6.5768 -6.5768 -6.2762 -6.2762 -6.1998 -6.1998 -6.1947 -6.1923 1.5080 1.5080 1.5483 1.6113 1.6792 1.6792 1.9556 1.9556 2.8523 2.8771 2.8771 2.9184 3.0374 3.0374 3.0529 3.0576 3.1708 3.1708 3.2133 3.2133 3.4879 3.4879 3.5314 3.5625 4.1659 4.1659 4.2325 4.2768 4.3441 4.3441 4.4385 4.4439 4.4439 4.5297 4.5368 4.5368 4.7897 4.8094 4.8094 4.8502 4.8502 4.9123 5.0413 5.0413 5.1029 5.1415 5.1415 5.1449 6.1779 6.1779 6.1939 6.2010 6.2010 6.2049 8.6141 8.6470 8.6470 8.7576 9.0644 9.0644 9.4732 9.4732 9.4786 9.6379 10.2405 10.2405 11.2457 11.3114 k = 0.3469 0.3469 0.3469 ( 6425 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6747 -25.6747 -25.6747 -25.6747 -6.5558 -6.5558 -6.2822 -6.2822 -6.2056 -6.2056 -6.2007 -6.1984 1.5050 1.5050 1.5513 1.6119 1.6579 1.6579 1.9267 1.9267 2.8608 2.8879 2.8879 2.9260 3.0461 3.0461 3.0604 3.0655 3.1768 3.1768 3.2121 3.2121 3.4788 3.4788 3.5228 3.5512 4.1695 4.1695 4.2404 4.2894 4.3474 4.3474 4.4419 4.4419 4.4470 4.5328 4.5351 4.5351 4.7847 4.7929 4.7929 4.8520 4.8520 4.9104 5.0315 5.0315 5.1038 5.1393 5.1393 5.1408 6.1989 6.1989 6.2145 6.2261 6.2369 6.2369 8.6168 8.6540 8.6540 8.7590 9.0917 9.0917 9.4878 9.4878 9.4950 9.6485 10.2627 10.2627 11.1659 11.2327 k = 0.3571 0.3571 0.3571 ( 6425 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6748 -25.6748 -25.6747 -25.6747 -6.5356 -6.5356 -6.2879 -6.2879 -6.2111 -6.2111 -6.2063 -6.2041 1.5004 1.5004 1.5529 1.6108 1.6373 1.6373 1.8971 1.8971 2.8708 2.8993 2.8993 2.9341 3.0553 3.0553 3.0685 3.0737 3.1798 3.1798 3.2167 3.2167 3.4699 3.4699 3.5142 3.5401 4.1730 4.1730 4.2494 4.3025 4.3511 4.3511 4.4396 4.4396 4.4549 4.5333 4.5333 4.5355 4.7782 4.7782 4.7796 4.8534 4.8534 4.9078 5.0211 5.0211 5.1028 5.1348 5.1360 5.1360 6.2209 6.2209 6.2384 6.2504 6.2737 6.2737 8.6203 8.6610 8.6610 8.7605 9.1172 9.1172 9.4982 9.4982 9.5073 9.6543 10.2866 10.2866 11.0880 11.1553 k = 0.3673 0.3673 0.3673 ( 6431 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6748 -25.6748 -25.6748 -25.6748 -6.5162 -6.5162 -6.2933 -6.2933 -6.2162 -6.2162 -6.2117 -6.2096 1.4943 1.4943 1.5535 1.6081 1.6181 1.6181 1.8670 1.8670 2.8820 2.9111 2.9111 2.9426 3.0650 3.0650 3.0770 3.0820 3.1790 3.1790 3.2273 3.2273 3.4615 3.4615 3.5059 3.5293 4.1763 4.1763 4.2593 4.3160 4.3551 4.3551 4.4371 4.4371 4.4621 4.5313 4.5313 4.5377 4.7658 4.7658 4.7746 4.8541 4.8541 4.9045 5.0105 5.0105 5.0998 5.1270 5.1313 5.1313 6.2453 6.2453 6.2652 6.2775 6.3095 6.3095 8.6245 8.6681 8.6681 8.7624 9.1409 9.1409 9.5039 9.5039 9.5148 9.6549 10.3122 10.3122 11.0135 11.0796 k = 0.3776 0.3776 0.3776 ( 6437 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6749 -25.6749 -25.6749 -25.6749 -6.4978 -6.4978 -6.2985 -6.2985 -6.2209 -6.2209 -6.2167 -6.2147 1.4871 1.4871 1.5531 1.6005 1.6005 1.6043 1.8367 1.8367 2.8941 2.9231 2.9231 2.9514 3.0749 3.0749 3.0857 3.0902 3.1763 3.1763 3.2416 3.2416 3.4536 3.4536 3.4978 3.5188 4.1793 4.1793 4.2702 4.3297 4.3594 4.3594 4.4344 4.4344 4.4689 4.5292 4.5292 4.5393 4.7556 4.7556 4.7697 4.8542 4.8542 4.9006 4.9998 4.9998 5.0952 5.1176 5.1251 5.1251 6.2718 6.2718 6.2943 6.3068 6.3439 6.3439 8.6298 8.6756 8.6756 8.7646 9.1625 9.1625 9.5046 9.5046 9.5169 9.6496 10.3393 10.3393 10.9438 11.0082 k = 0.3878 0.3878 0.3878 ( 6434 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6749 -25.6749 -25.6749 -25.6749 -6.4805 -6.4805 -6.3034 -6.3034 -6.2252 -6.2252 -6.2213 -6.2195 1.4789 1.4789 1.5521 1.5849 1.5849 1.5995 1.8066 1.8066 2.9069 2.9351 2.9351 2.9603 3.0848 3.0848 3.0943 3.0981 3.1729 3.1729 3.2575 3.2575 3.4464 3.4464 3.4901 3.5087 4.1819 4.1819 4.2819 4.3435 4.3640 4.3640 4.4316 4.4316 4.4750 4.5271 4.5271 4.5403 4.7478 4.7478 4.7652 4.8536 4.8536 4.8960 4.9895 4.9895 5.0892 5.1069 5.1176 5.1176 6.2999 6.2999 6.3252 6.3378 6.3768 6.3768 8.6362 8.6836 8.6836 8.7673 9.1821 9.1821 9.4999 9.4999 9.5133 9.6383 10.3678 10.3678 10.8801 10.9424 k = 0.3980 0.3980 0.3980 ( 6443 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6749 -25.6749 -6.4643 -6.4643 -6.3080 -6.3080 -6.2291 -6.2291 -6.2256 -6.2239 1.4702 1.4702 1.5505 1.5715 1.5715 1.5940 1.7769 1.7769 2.9200 2.9468 2.9468 2.9692 3.0946 3.0946 3.1026 3.1058 3.1695 3.1695 3.2737 3.2737 3.4400 3.4400 3.4827 3.4991 4.1841 4.1841 4.2943 4.3573 4.3689 4.3689 4.4288 4.4288 4.4806 4.5248 4.5248 4.5406 4.7422 4.7422 4.7612 4.8521 4.8521 4.8906 4.9797 4.9797 5.0821 5.0953 5.1087 5.1087 6.3291 6.3291 6.3573 6.3697 6.4077 6.4077 8.6438 8.6921 8.6921 8.7707 9.1996 9.1996 9.4899 9.4899 9.5038 9.6209 10.3976 10.3976 10.8235 10.8829 k = 0.4082 0.4082 0.4082 ( 6437 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6750 -25.6750 -6.4493 -6.4493 -6.3123 -6.3123 -6.2326 -6.2326 -6.2295 -6.2280 1.4612 1.4612 1.5487 1.5601 1.5601 1.5880 1.7480 1.7480 2.9332 2.9581 2.9581 2.9778 3.1042 3.1042 3.1106 3.1129 3.1663 3.1663 3.2894 3.2894 3.4349 3.4349 3.4758 3.4901 4.1858 4.1858 4.3075 4.3708 4.3738 4.3738 4.4261 4.4261 4.4857 4.5226 4.5226 4.5402 4.7387 4.7387 4.7579 4.8497 4.8497 4.8846 4.9709 4.9709 5.0743 5.0833 5.0988 5.0988 6.3585 6.3585 6.3899 6.4020 6.4367 6.4367 8.6529 8.7013 8.7013 8.7746 9.2149 9.2149 9.4748 9.4748 9.4885 9.5976 10.4283 10.4283 10.7747 10.8306 k = 0.4184 0.4184 0.4184 ( 6449 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6750 -25.6750 -6.4355 -6.4355 -6.3164 -6.3164 -6.2356 -6.2356 -6.2330 -6.2317 1.4524 1.4524 1.5467 1.5510 1.5510 1.5819 1.7203 1.7203 2.9462 2.9688 2.9688 2.9860 3.1132 3.1132 3.1179 3.1195 3.1633 3.1633 3.3035 3.3035 3.4314 3.4314 3.4695 3.4817 4.1871 4.1871 4.3211 4.3787 4.3787 4.3838 4.4236 4.4236 4.4902 4.5205 4.5205 4.5388 4.7371 4.7371 4.7555 4.8460 4.8460 4.8776 4.9635 4.9635 5.0660 5.0712 5.0882 5.0882 6.3875 6.3875 6.4221 6.4337 6.4636 6.4636 8.6634 8.7111 8.7111 8.7790 9.2280 9.2280 9.4554 9.4554 9.4682 9.5691 10.4595 10.4595 10.7339 10.7856 k = 0.4286 0.4286 0.4286 ( 6461 PWs) bands (ev): -61.4030 -61.4030 -34.3241 -34.3241 -25.6751 -25.6751 -25.6751 -25.6751 -6.4231 -6.4231 -6.3201 -6.3201 -6.2383 -6.2383 -6.2362 -6.2350 1.4440 1.4440 1.5440 1.5440 1.5449 1.5757 1.6939 1.6939 2.9587 2.9787 2.9787 2.9936 3.1215 3.1215 3.1244 3.1254 3.1607 3.1607 3.3154 3.3154 3.4296 3.4296 3.4637 3.4741 4.1879 4.1879 4.3351 4.3834 4.3834 4.3958 4.4215 4.4215 4.4942 4.5185 4.5185 4.5366 4.7373 4.7373 4.7544 4.8412 4.8412 4.8697 4.9577 4.9577 5.0575 5.0595 5.0770 5.0770 6.4152 6.4152 6.4533 6.4641 6.4881 6.4881 8.6755 8.7216 8.7216 8.7837 9.2387 9.2387 9.4328 9.4328 9.4440 9.5365 10.4909 10.4909 10.7011 10.7478 k = 0.4388 0.4388 0.4388 ( 6446 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.4121 -6.4121 -6.3236 -6.3236 -6.2405 -6.2405 -6.2389 -6.2378 1.4364 1.4364 1.5390 1.5390 1.5432 1.5697 1.6692 1.6692 2.9705 2.9877 2.9877 3.0005 3.1289 3.1289 3.1301 3.1306 3.1587 3.1587 3.3246 3.3246 3.4300 3.4300 3.4587 3.4673 4.1883 4.1883 4.3494 4.3876 4.3876 4.4067 4.4200 4.4200 4.4977 4.5167 4.5167 4.5337 4.7391 4.7391 4.7549 4.8351 4.8351 4.8609 4.9538 4.9538 5.0488 5.0494 5.0656 5.0656 6.4408 6.4408 6.4825 6.4923 6.5103 6.5103 8.6891 8.7326 8.7326 8.7885 9.2466 9.2466 9.4087 9.4087 9.4177 9.5012 10.5218 10.5218 10.6757 10.7170 k = 0.4490 0.4490 0.4490 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.4025 -6.4025 -6.3267 -6.3267 -6.2423 -6.2423 -6.2412 -6.2403 1.4297 1.4297 1.5362 1.5362 1.5419 1.5641 1.6465 1.6465 2.9814 2.9956 2.9956 3.0063 3.1349 3.1350 3.1351 3.1351 3.1573 3.1573 3.3310 3.3310 3.4322 3.4322 3.4545 3.4614 4.1885 4.1885 4.3636 4.3911 4.3911 4.4160 4.4192 4.4192 4.5007 4.5150 4.5150 4.5300 4.7423 4.7423 4.7570 4.8279 4.8279 4.8512 4.9518 4.9518 5.0394 5.0417 5.0544 5.0544 6.4635 6.4635 6.5091 6.5177 6.5299 6.5299 8.7041 8.7437 8.7437 8.7927 9.2513 9.2513 9.3852 9.3852 9.3912 9.4650 10.5514 10.5514 10.6569 10.6926 k = 0.4592 0.4592 0.4592 ( 6425 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.3944 -6.3944 -6.3296 -6.3296 -6.2438 -6.2438 -6.2430 -6.2423 1.4242 1.4242 1.5354 1.5354 1.5412 1.5589 1.6260 1.6260 2.9911 3.0024 3.0024 3.0110 3.1386 3.1387 3.1398 3.1398 3.1568 3.1568 3.3348 3.3348 3.4357 3.4357 3.4510 3.4564 4.1884 4.1884 4.3775 4.3937 4.3937 4.4192 4.4192 4.4231 4.5032 4.5136 4.5136 4.5257 4.7466 4.7466 4.7610 4.8198 4.8198 4.8405 4.9515 4.9515 5.0316 5.0348 5.0438 5.0438 6.4828 6.4828 6.5323 6.5395 6.5466 6.5466 8.7200 8.7546 8.7546 8.7957 9.2522 9.2522 9.3648 9.3648 9.3669 9.4296 10.5787 10.5787 10.6440 10.6739 k = 0.4694 0.4694 0.4694 ( 6431 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.3879 -6.3879 -6.3320 -6.3320 -6.2448 -6.2448 -6.2445 -6.2439 1.4199 1.4199 1.5364 1.5364 1.5409 1.5542 1.6080 1.6080 2.9994 3.0077 3.0077 3.0144 3.1414 3.1416 3.1428 3.1428 3.1571 3.1571 3.3368 3.3368 3.4395 3.4395 3.4484 3.4523 4.1882 4.1882 4.3907 4.3953 4.3953 4.4197 4.4197 4.4275 4.5052 4.5125 4.5125 4.5213 4.7518 4.7518 4.7669 4.8115 4.8115 4.8291 4.9524 4.9524 5.0256 5.0289 5.0343 5.0343 6.4981 6.4981 6.5513 6.5569 6.5602 6.5602 8.7363 8.7644 8.7644 8.7966 9.2492 9.2492 9.3472 9.3497 9.3497 9.3970 10.6023 10.6023 10.6361 10.6602 k = 0.4796 0.4796 0.4796 ( 6452 PWs) bands (ev): -61.4030 -61.4030 -34.3241 -34.3241 -25.6752 -25.6752 -25.6751 -25.6751 -6.3831 -6.3831 -6.3339 -6.3339 -6.2456 -6.2456 -6.2455 -6.2451 1.4168 1.4168 1.5392 1.5392 1.5413 1.5502 1.5931 1.5931 3.0062 3.0116 3.0116 3.0162 3.1433 3.1435 3.1443 3.1443 3.1580 3.1580 3.3377 3.3377 3.4428 3.4428 3.4466 3.4491 4.1879 4.1879 4.3961 4.3961 4.4027 4.4205 4.4205 4.4287 4.5070 4.5116 4.5116 4.5171 4.7574 4.7574 4.7745 4.8034 4.8034 4.8173 4.9540 4.9540 5.0216 5.0243 5.0265 5.0265 6.5091 6.5091 6.5656 6.5694 6.5703 6.5703 8.7523 8.7724 8.7724 8.7945 9.2437 9.2437 9.3342 9.3402 9.3402 9.3691 10.6207 10.6207 10.6323 10.6503 k = 0.4898 0.4898 0.4898 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3800 -6.3800 -6.3352 -6.3352 -6.2461 -6.2460 -6.2460 -6.2459 1.4149 1.4149 1.5425 1.5425 1.5425 1.5469 1.5824 1.5824 3.0113 3.0139 3.0139 3.0163 3.1445 3.1446 3.1448 3.1448 3.1588 3.1588 3.3380 3.3380 3.4451 3.4451 3.4457 3.4470 4.1876 4.1876 4.3964 4.3964 4.4131 4.4210 4.4210 4.4266 4.5087 4.5110 4.5110 4.5135 4.7622 4.7622 4.7836 4.7968 4.7968 4.8055 4.9555 4.9555 5.0195 5.0210 5.0212 5.0212 6.5157 6.5157 6.5748 6.5764 6.5764 6.5767 8.7671 8.7777 8.7777 8.7889 9.2387 9.2387 9.3296 9.3355 9.3355 9.3476 10.6319 10.6319 10.6322 10.6413 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3790 -6.3790 -6.3357 -6.3357 -6.2462 -6.2462 -6.2462 -6.2462 1.4143 1.4143 1.5443 1.5443 1.5443 1.5443 1.5781 1.5781 3.0147 3.0147 3.0147 3.0147 3.1449 3.1449 3.1449 3.1449 3.1592 3.1592 3.3381 3.3381 3.4459 3.4459 3.4459 3.4459 4.1876 4.1876 4.3965 4.3965 4.4213 4.4213 4.4213 4.4213 4.5108 4.5108 4.5108 4.5108 4.7644 4.7644 4.7941 4.7941 4.7941 4.7941 4.9561 4.9561 5.0194 5.0194 5.0194 5.0194 6.5180 6.5180 6.5785 6.5785 6.5785 6.5785 8.7796 8.7796 8.7796 8.7796 9.2367 9.2367 9.3341 9.3341 9.3341 9.3341 10.6352 10.6352 10.6352 10.6352 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3790 -6.3790 -6.3357 -6.3357 -6.2462 -6.2462 -6.2462 -6.2462 1.4143 1.4143 1.5443 1.5443 1.5443 1.5443 1.5781 1.5781 3.0147 3.0147 3.0147 3.0147 3.1449 3.1449 3.1449 3.1449 3.1592 3.1592 3.3381 3.3381 3.4459 3.4459 3.4459 3.4459 4.1876 4.1876 4.3965 4.3965 4.4213 4.4213 4.4213 4.4213 4.5108 4.5108 4.5108 4.5108 4.7644 4.7644 4.7941 4.7941 4.7941 4.7941 4.9561 4.9561 5.0194 5.0194 5.0194 5.0194 6.5180 6.5180 6.5785 6.5785 6.5785 6.5785 8.7796 8.7796 8.7796 8.7796 9.2367 9.2367 9.3341 9.3341 9.3341 9.3341 10.6352 10.6352 10.6352 10.6352 k = 0.4875 0.5000 0.4875 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3800 -6.3800 -6.3352 -6.3352 -6.2462 -6.2460 -6.2460 -6.2458 1.4149 1.4149 1.5416 1.5430 1.5431 1.5468 1.5823 1.5824 3.0114 3.0133 3.0145 3.0162 3.1443 3.1444 3.1449 3.1451 3.1588 3.1589 3.3379 3.3380 3.4449 3.4453 3.4457 3.4469 4.1876 4.1876 4.3964 4.3964 4.4134 4.4192 4.4227 4.4266 4.5088 4.5104 4.5116 4.5135 4.7620 4.7624 4.7842 4.7940 4.7994 4.8052 4.9555 4.9555 5.0195 5.0207 5.0212 5.0216 6.5157 6.5157 6.5747 6.5763 6.5763 6.5771 8.7673 8.7750 8.7804 8.7886 9.2386 9.2389 9.3297 9.3336 9.3378 9.3472 10.6306 10.6323 10.6341 10.6403 k = 0.4750 0.5000 0.4750 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6751 -25.6751 -6.3831 -6.3829 -6.3342 -6.3337 -6.2461 -6.2456 -6.2451 -6.2449 1.4167 1.4168 1.5373 1.5400 1.5424 1.5503 1.5928 1.5933 3.0065 3.0103 3.0128 3.0160 3.1421 3.1429 3.1447 3.1454 3.1576 3.1586 3.3374 3.3381 3.4424 3.4437 3.4465 3.4488 4.1879 4.1879 4.3961 4.3961 4.4033 4.4168 4.4230 4.4294 4.5070 4.5106 4.5126 4.5171 4.7560 4.7579 4.7763 4.7981 4.8082 4.8169 4.9538 4.9544 5.0213 5.0236 5.0268 5.0272 6.5090 6.5091 6.5652 6.5683 6.5703 6.5719 8.7519 8.7679 8.7770 8.7950 9.2428 9.2454 9.3335 9.3379 9.3436 9.3683 10.6191 10.6274 10.6318 10.6423 k = 0.4625 0.5000 0.4625 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.3881 -6.3875 -6.3328 -6.3314 -6.2461 -6.2449 -6.2437 -6.2435 1.4196 1.4201 1.5335 1.5375 1.5429 1.5546 1.6073 1.6085 2.9998 3.0058 3.0095 3.0142 3.1381 3.1400 3.1436 3.1456 3.1562 3.1590 3.3357 3.3381 3.4381 3.4415 3.4481 3.4514 4.1881 4.1882 4.3908 4.3954 4.3962 4.4142 4.4211 4.4308 4.5050 4.5111 4.5135 4.5214 4.7485 4.7525 4.7706 4.8041 4.8185 4.8285 4.9517 4.9534 5.0248 5.0277 5.0350 5.0353 6.4975 6.4978 6.5502 6.5549 6.5608 6.5632 8.7341 8.7590 8.7696 8.7990 9.2464 9.2557 9.3429 9.3504 9.3504 9.3964 10.6024 10.6145 10.6335 10.6439 k = 0.4500 0.5000 0.4500 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.3946 -6.3935 -6.3314 -6.3284 -6.2463 -6.2437 -6.2416 -6.2415 1.4236 1.4247 1.5310 1.5365 1.5445 1.5600 1.6246 1.6266 2.9917 3.0000 3.0048 3.0108 3.1321 3.1358 3.1415 3.1448 3.1554 3.1606 3.3323 3.3381 3.4324 3.4393 3.4508 3.4549 4.1883 4.1886 4.3780 4.3940 4.3948 4.4118 4.4165 4.4319 4.5029 4.5119 4.5145 4.5261 4.7407 4.7470 4.7671 4.8108 4.8295 4.8396 4.9500 4.9534 5.0303 5.0332 5.0440 5.0459 6.4813 6.4820 6.5305 6.5367 6.5483 6.5514 8.7150 8.7490 8.7593 8.8010 9.2476 9.2688 9.3562 9.3574 9.3719 9.4297 10.5829 10.5972 10.6371 10.6471 k = 0.4375 0.5000 0.4375 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6751 -25.6751 -6.4024 -6.4007 -6.3301 -6.3249 -6.2468 -6.2421 -6.2389 -6.2388 1.4286 1.4306 1.5299 1.5372 1.5471 1.5665 1.6442 1.6474 2.9822 2.9929 2.9988 3.0061 3.1242 3.1299 3.1382 3.1425 3.1562 3.1633 3.3265 3.3375 3.4254 3.4379 3.4543 3.4591 4.1883 4.1887 4.3642 4.3919 4.3929 4.4095 4.4099 4.4331 4.5005 4.5128 4.5154 4.5305 4.7336 4.7417 4.7657 4.8176 4.8407 4.8499 4.9492 4.9546 5.0377 5.0398 5.0536 5.0577 6.4603 6.4614 6.5068 6.5144 6.5331 6.5369 8.6957 8.7381 8.7475 8.8011 9.2457 9.2839 9.3641 9.3732 9.3988 9.4661 10.5625 10.5777 10.6426 10.6521 k = 0.4250 0.5000 0.4250 ( 6460 PWs) bands (ev): -61.4030 -61.4030 -34.3241 -34.3241 -25.6751 -25.6751 -25.6751 -25.6751 -6.4115 -6.4092 -6.3291 -6.3209 -6.2475 -6.2400 -6.2357 -6.2354 1.4345 1.4376 1.5304 1.5397 1.5510 1.5740 1.6658 1.6704 2.9716 2.9847 2.9916 3.0003 3.1149 3.1224 3.1338 3.1390 3.1582 3.1667 3.3177 3.3357 3.4180 3.4379 3.4589 3.4641 4.1879 4.1887 4.3502 4.3888 4.3900 4.4010 4.4089 4.4347 4.4980 4.5136 4.5163 4.5345 4.7274 4.7369 4.7662 4.8244 4.8512 4.8597 4.9496 4.9574 5.0472 5.0477 5.0632 5.0701 6.4350 6.4365 6.4800 6.4887 6.5154 6.5198 8.6772 8.7267 8.7352 8.7997 9.2408 9.2997 9.3698 9.3930 9.4281 9.5036 10.5430 10.5581 10.6505 10.6592 k = 0.4125 0.5000 0.4125 ( 6452 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6750 -25.6750 -6.4215 -6.4187 -6.3285 -6.3167 -6.2484 -6.2373 -6.2318 -6.2313 1.4413 1.4457 1.5324 1.5437 1.5562 1.5827 1.6892 1.6954 2.9601 2.9755 2.9835 2.9935 3.1044 3.1136 3.1285 3.1347 3.1609 3.1707 3.3058 3.3320 3.4111 3.4397 3.4644 3.4699 4.1873 4.1882 4.3365 4.3842 4.3864 4.3923 4.4087 4.4366 4.4955 4.5145 4.5172 4.5378 4.7227 4.7326 4.7684 4.8309 4.8601 4.8697 4.9510 4.9616 5.0567 5.0584 5.0723 5.0832 6.4060 6.4077 6.4509 6.4603 6.4954 6.5004 8.6600 8.7150 8.7234 8.7968 9.2331 9.3150 9.3741 9.4144 9.4570 9.5403 10.5258 10.5400 10.6613 10.6691 k = 0.4000 0.5000 0.4000 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6749 -25.6749 -6.4325 -6.4292 -6.3283 -6.3122 -6.2496 -6.2342 -6.2273 -6.2266 1.4489 1.4545 1.5358 1.5492 1.5628 1.5926 1.7139 1.7221 2.9478 2.9656 2.9746 2.9860 3.0931 3.1037 3.1225 3.1299 3.1642 3.1752 3.2909 3.3251 3.4060 3.4431 3.4709 3.4764 4.1859 4.1870 4.3234 4.3767 4.3823 4.3855 4.4090 4.4387 4.4931 4.5153 4.5181 4.5403 4.7194 4.7291 4.7719 4.8371 4.8670 4.8801 4.9533 4.9671 5.0668 5.0706 5.0807 5.0967 6.3743 6.3760 6.4203 6.4299 6.4732 6.4785 8.6444 8.7032 8.7125 8.7928 9.2224 9.3276 9.3772 9.4357 9.4835 9.5747 10.5120 10.5247 10.6757 10.6823 k = 0.3875 0.5000 0.3875 ( 6446 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6749 -25.6749 -6.4443 -6.4407 -6.3286 -6.3078 -6.2508 -6.2305 -6.2222 -6.2213 1.4571 1.4635 1.5409 1.5560 1.5708 1.6037 1.7398 1.7502 2.9348 2.9550 2.9649 2.9778 3.0812 3.0928 3.1159 3.1247 3.1677 3.1800 3.2735 3.3144 3.4034 3.4481 3.4782 3.4835 4.1837 4.1848 4.3113 4.3670 4.3780 4.3803 4.4095 4.4410 4.4909 4.5159 4.5189 4.5420 4.7177 4.7263 4.7766 4.8428 4.8725 4.8905 4.9562 4.9736 5.0774 5.0825 5.0882 5.1114 6.3407 6.3423 6.3884 6.3979 6.4487 6.4544 8.6307 8.6915 8.7030 8.7878 9.2087 9.3347 9.3800 9.4555 9.5063 9.6053 10.5023 10.5133 10.6944 10.6997 k = 0.3750 0.5000 0.3750 ( 6450 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6749 -25.6749 -6.4568 -6.4529 -6.3296 -6.3036 -6.2518 -6.2262 -6.2164 -6.2154 1.4656 1.4722 1.5478 1.5638 1.5801 1.6161 1.7664 1.7795 2.9213 2.9438 2.9548 2.9691 3.0690 3.0812 3.1089 3.1192 3.1715 3.1850 3.2541 3.2999 3.4034 3.4544 3.4862 3.4913 4.1805 4.1813 4.3005 4.3570 4.3736 4.3755 4.4102 4.4435 4.4889 4.5165 4.5196 4.5431 4.7176 4.7244 4.7822 4.8479 4.8771 4.9002 4.9595 4.9807 5.0867 5.0926 5.0965 5.1281 6.3064 6.3076 6.3559 6.3650 6.4222 6.4280 8.6189 8.6800 8.6949 8.7820 9.1920 9.3340 9.3836 9.4723 9.5247 9.6315 10.4973 10.5067 10.7182 10.7219 k = 0.3625 0.5000 0.3625 ( 6446 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6748 -25.6748 -6.4699 -6.4659 -6.3311 -6.3001 -6.2522 -6.2214 -6.2100 -6.2090 1.4744 1.4801 1.5568 1.5726 1.5909 1.6297 1.7935 1.8095 2.9074 2.9324 2.9442 2.9601 3.0567 3.0690 3.1018 3.1133 3.1756 3.1903 3.2335 3.2823 3.4057 3.4618 3.4950 3.4996 4.1760 4.1761 4.2915 4.3477 4.3692 4.3709 4.4107 4.4460 4.4873 4.5170 4.5201 4.5435 4.7193 4.7236 4.7888 4.8525 4.8815 4.9090 4.9633 4.9880 5.0916 5.1000 5.1084 5.1469 6.2722 6.2730 6.3231 6.3316 6.3936 6.3994 8.6091 8.6690 8.6883 8.7757 9.1722 9.3252 9.3869 9.4846 9.5386 9.6526 10.4973 10.5052 10.7476 10.7496 k = 0.3500 0.5000 0.3500 ( 6444 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6747 -25.6747 -6.4836 -6.4795 -6.3332 -6.2977 -6.2515 -6.2160 -6.2031 -6.2020 1.4830 1.4866 1.5681 1.5823 1.6030 1.6444 1.8208 1.8398 2.8933 2.9208 2.9334 2.9509 3.0445 3.0563 3.0948 3.1069 3.1797 3.1959 3.2125 3.2623 3.4097 3.4702 3.5044 3.5084 4.1694 4.1702 4.2843 4.3393 4.3650 4.3666 4.4110 4.4485 4.4862 4.5173 4.5204 4.5433 4.7227 4.7238 4.7961 4.8564 4.8857 4.9165 4.9675 4.9952 5.0928 5.1044 5.1229 5.1677 6.2388 6.2391 6.2903 6.2980 6.3633 6.3689 8.6011 8.6585 8.6829 8.7690 9.1497 9.3095 9.3879 9.4913 9.5480 9.6684 10.5023 10.5091 10.7831 10.7834 k = 0.3375 0.5000 0.3375 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6747 -25.6747 -6.4977 -6.4937 -6.3359 -6.2971 -6.2492 -6.2101 -6.1957 -6.1946 1.4912 1.4915 1.5814 1.5929 1.6164 1.6602 1.8478 1.8702 2.8790 2.9092 2.9224 2.9415 3.0326 3.0435 3.0882 3.0995 3.1827 3.1937 3.2016 3.2407 3.4150 3.4794 3.5144 3.5176 4.1611 4.1630 4.2789 4.3320 4.3610 4.3627 4.4108 4.4508 4.4858 4.5175 4.5206 4.5427 4.7252 4.7278 4.8041 4.8596 4.8899 4.9225 4.9722 5.0018 5.0913 5.1058 5.1389 5.1898 6.2064 6.2068 6.2580 6.2647 6.3314 6.3366 8.5949 8.6488 8.6784 8.7621 9.1250 9.2882 9.3851 9.4918 9.5534 9.6791 10.5120 10.5182 10.8235 10.8248 k = 0.3250 0.5000 0.3250 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6750 -25.6750 -25.6746 -25.6746 -6.5122 -6.5082 -6.3391 -6.2983 -6.2452 -6.2037 -6.1878 -6.1868 1.4948 1.4986 1.5965 1.6045 1.6309 1.6768 1.8742 1.9001 2.8648 2.8979 2.9113 2.9322 3.0212 3.0306 3.0821 3.0898 3.1724 3.1908 3.2073 3.2183 3.4215 3.4894 3.5250 3.5272 4.1517 4.1546 4.2749 4.3257 4.3571 4.3593 4.4100 4.4530 4.4861 4.5175 4.5206 4.5415 4.7278 4.7344 4.8129 4.8620 4.8942 4.9268 4.9774 5.0076 5.0873 5.1043 5.1562 5.2128 6.1750 6.1765 6.2265 6.2320 6.2984 6.3030 8.5901 8.6399 8.6741 8.7555 9.0989 9.2622 9.3779 9.4861 9.5548 9.6848 10.5262 10.5322 10.8699 10.8726 k = 0.3125 0.5000 0.3125 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6749 -25.6749 -25.6745 -25.6745 -6.5270 -6.5231 -6.3428 -6.3011 -6.2396 -6.1968 -6.1795 -6.1786 1.4966 1.5049 1.6128 1.6170 1.6464 1.6940 1.8997 1.9291 2.8508 2.8870 2.9002 2.9230 3.0104 3.0177 3.0764 3.0765 3.1597 3.1952 3.1953 3.2138 3.4288 3.5002 3.5360 3.5372 4.1414 4.1450 4.2720 4.3203 4.3533 4.3568 4.4085 4.4548 4.4872 4.5174 4.5204 4.5399 4.7315 4.7423 4.8226 4.8636 4.8986 4.9295 4.9831 5.0121 5.0812 5.1000 5.1744 5.2365 6.1449 6.1476 6.1961 6.2003 6.2651 6.2689 8.5866 8.6321 8.6692 8.7495 9.0723 9.2322 9.3662 9.4745 9.5525 9.6860 10.5442 10.5505 10.9223 10.9262 k = 0.3000 0.5000 0.3000 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6749 -25.6749 -25.6745 -25.6745 -6.5419 -6.5382 -6.3470 -6.3051 -6.2327 -6.1896 -6.1708 -6.1700 1.4970 1.5098 1.6300 1.6304 1.6629 1.7115 1.9240 1.9569 2.8370 2.8767 2.8892 2.9139 3.0001 3.0049 3.0591 3.0708 3.1522 3.1737 3.2004 3.2199 3.4370 3.5117 3.5474 3.5475 4.1306 4.1345 4.2699 4.3155 4.3496 4.3552 4.4062 4.4564 4.4891 4.5171 4.5202 4.5380 4.7363 4.7512 4.8329 4.8642 4.9030 4.9307 4.9894 5.0149 5.0737 5.0930 5.1933 5.2605 6.1152 6.1195 6.1670 6.1696 6.2325 6.2353 8.5839 8.6257 8.6623 8.7450 9.0461 9.1992 9.3501 9.4575 9.5468 9.6832 10.5655 10.5724 10.9804 10.9849 k = 0.2875 0.5000 0.2875 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6749 -25.6749 -25.6744 -25.6744 -6.5570 -6.5535 -6.3516 -6.3102 -6.2250 -6.1820 -6.1618 -6.1612 1.4961 1.5132 1.6446 1.6475 1.6800 1.7292 1.9469 1.9830 2.8238 2.8671 2.8785 2.9052 2.9904 2.9921 3.0386 3.0642 3.1500 3.1549 3.2058 3.2262 3.4459 3.5239 3.5579 3.5595 4.1196 4.1235 4.2683 4.3111 4.3460 4.3546 4.4032 4.4577 4.4918 4.5167 4.5199 4.5358 4.7420 4.7609 4.8440 4.8640 4.9074 4.9307 4.9960 5.0152 5.0659 5.0837 5.2130 5.2847 6.0849 6.0908 6.1395 6.1405 6.2021 6.2038 8.5811 8.6212 8.6517 8.7431 9.0217 9.1641 9.3299 9.4359 9.5380 9.6770 10.5894 10.5974 11.0432 11.0479 k = 0.2750 0.5000 0.2750 ( 6422 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6748 -25.6748 -25.6743 -25.6743 -6.5721 -6.5689 -6.3564 -6.3159 -6.2167 -6.1741 -6.1527 -6.1521 1.4940 1.5149 1.6595 1.6652 1.6976 1.7467 1.9681 2.0073 2.8113 2.8583 2.8681 2.8968 2.9790 2.9812 3.0170 3.0547 3.1412 3.1519 3.2115 3.2326 3.4557 3.5368 3.5687 3.5720 4.1088 4.1121 4.2670 4.3070 4.3425 4.3549 4.3994 4.4585 4.4952 4.5161 4.5196 4.5336 4.7484 4.7710 4.8554 4.8630 4.9113 4.9300 5.0030 5.0117 5.0598 5.0725 5.2332 5.3089 6.0523 6.0594 6.1136 6.1138 6.1754 6.1761 8.5774 8.6191 8.6363 8.7441 9.0000 9.1278 9.3062 9.4102 9.5266 9.6679 10.6152 10.6245 11.1101 11.1145 k = 0.2625 0.5000 0.2625 ( 6438 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6748 -25.6748 -25.6742 -25.6742 -6.5872 -6.5842 -6.3615 -6.3221 -6.2079 -6.1660 -6.1433 -6.1429 1.4907 1.5149 1.6748 1.6827 1.7154 1.7638 1.9876 2.0294 2.7996 2.8505 2.8581 2.8888 2.9647 2.9726 2.9964 3.0407 3.1346 3.1569 3.2173 3.2390 3.4663 3.5505 3.5797 3.5850 4.0982 4.1006 4.2659 4.3031 4.3389 4.3559 4.3951 4.4587 4.4991 4.5154 4.5193 4.5314 4.7550 4.7812 4.8592 4.8687 4.9136 4.9298 5.0034 5.0101 5.0571 5.0600 5.2536 5.3330 6.0163 6.0235 6.0895 6.0899 6.1534 6.1537 8.5720 8.6157 8.6198 8.7482 8.9818 9.0914 9.2794 9.3811 9.5131 9.6564 10.6421 10.6531 11.1801 11.1836 k = 0.2500 0.5000 0.2500 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6748 -25.6748 -25.6741 -25.6741 -6.6021 -6.5994 -6.3668 -6.3287 -6.1987 -6.1578 -6.1338 -6.1335 1.4862 1.5131 1.6903 1.6998 1.7330 1.7802 2.0052 2.0491 2.7890 2.8437 2.8485 2.8814 2.9482 2.9646 2.9792 3.0227 3.1350 3.1645 3.2234 3.2455 3.4777 3.5649 3.5911 3.5985 4.0881 4.0891 4.2648 4.2994 4.3353 4.3575 4.3903 4.4584 4.5035 4.5146 4.5191 4.5295 4.7617 4.7910 4.8560 4.8805 4.9131 4.9318 4.9912 5.0168 5.0475 5.0582 5.2743 5.3568 5.9769 5.9831 6.0681 6.0681 6.1360 6.1370 8.5644 8.5903 8.6231 8.7550 8.9677 9.0559 9.2501 9.3492 9.4979 9.6429 10.6695 10.6825 11.2524 11.2543 k = 0.2375 0.5000 0.2375 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6748 -25.6748 -25.6741 -25.6741 -6.6169 -6.6144 -6.3723 -6.3355 -6.1893 -6.1495 -6.1243 -6.1241 1.4806 1.5096 1.7058 1.7163 1.7502 1.7957 2.0209 2.0665 2.7796 2.8380 2.8394 2.8745 2.9295 2.9570 2.9659 3.0025 3.1407 3.1739 3.2297 3.2520 3.4901 3.5801 3.6027 3.6125 4.0778 4.0784 4.2636 4.2958 4.3317 4.3595 4.3851 4.4572 4.5076 4.5142 4.5189 4.5281 4.7675 4.7995 4.8519 4.8914 4.9099 4.9357 4.9773 5.0191 5.0396 5.0622 5.2951 5.3800 5.9344 5.9391 6.0486 6.0493 6.1234 6.1247 8.5545 8.5608 8.6285 8.7638 8.9576 9.0227 9.2189 9.3151 9.4814 9.6279 10.6966 10.7118 11.3256 11.3259 k = 0.2250 0.5000 0.2250 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6747 -25.6747 -25.6740 -25.6740 -6.6314 -6.6291 -6.3778 -6.3425 -6.1798 -6.1412 -6.1147 -6.1147 1.4740 1.5044 1.7211 1.7322 1.7666 1.8100 2.0348 2.0816 2.7714 2.8306 2.8333 2.8682 2.9104 2.9498 2.9555 2.9815 3.1501 3.1848 3.2362 3.2585 3.5035 3.5960 3.6147 3.6271 4.0668 4.0693 4.2624 4.2925 4.3283 4.3618 4.3799 4.4552 4.5094 4.5162 4.5190 4.5272 4.7722 4.8052 4.8488 4.8996 4.9052 4.9406 4.9643 5.0114 5.0432 5.0686 5.3158 5.4026 5.8896 5.8924 6.0314 6.0329 6.1147 6.1161 8.5281 8.5419 8.6356 8.7744 8.9514 8.9927 9.1863 9.2795 9.4640 9.6117 10.7228 10.7403 11.3965 11.3998 k = 0.2125 0.5000 0.2125 ( 6430 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6747 -25.6747 -25.6739 -25.6739 -6.6455 -6.6435 -6.3833 -6.3496 -6.1702 -6.1330 -6.1053 -6.1053 1.4664 1.4978 1.7360 1.7472 1.7821 1.8230 2.0469 2.0943 2.7646 2.8222 2.8299 2.8621 2.8927 2.9428 2.9469 2.9612 3.1621 3.1968 3.2428 3.2649 3.5179 3.6126 3.6270 3.6423 4.0561 4.0608 4.2609 4.2894 4.3250 4.3640 4.3746 4.4524 4.5084 4.5194 4.5208 4.5270 4.7749 4.8053 4.8492 4.8996 4.9014 4.9453 4.9562 5.0007 5.0522 5.0773 5.3364 5.4244 5.8433 5.8440 6.0167 6.0190 6.1089 6.1103 8.4933 8.5262 8.6440 8.7862 8.9486 8.9673 9.1529 9.2428 9.4459 9.5945 10.7476 10.7675 11.4660 11.4730 k = 0.2000 0.5000 0.2000 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6747 -25.6747 -25.6738 -25.6738 -6.6592 -6.6574 -6.3887 -6.3567 -6.1606 -6.1250 -6.0961 -6.0960 1.4579 1.4897 1.7502 1.7612 1.7964 1.8345 2.0574 2.1049 2.7590 2.8139 2.8275 2.8556 2.8781 2.9343 2.9396 2.9438 3.1757 3.2094 3.2495 3.2712 3.5333 3.6296 3.6400 3.6582 4.0459 4.0529 4.2592 4.2867 4.3220 4.3662 4.3695 4.4488 4.5066 4.5201 4.5259 4.5273 4.7752 4.7986 4.8542 4.8931 4.8942 4.9490 4.9563 4.9926 5.0631 5.0880 5.3565 5.4449 5.7945 5.7961 6.0046 6.0078 6.1055 6.1068 8.4572 8.5071 8.6534 8.7989 8.9471 8.9486 9.1192 9.2059 9.4274 9.5765 10.7702 10.7926 11.5330 11.5446 k = 0.1875 0.5000 0.1875 ( 6428 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6738 -25.6738 -6.6724 -6.6709 -6.3940 -6.3637 -6.1512 -6.1171 -6.0870 -6.0868 1.4488 1.4805 1.7635 1.7741 1.8094 1.8447 2.0664 2.1134 2.7547 2.8058 2.8261 2.8476 2.8682 2.9198 2.9334 2.9344 3.1903 3.2223 3.2564 3.2775 3.5497 3.6463 3.6542 3.6747 4.0362 4.0455 4.2571 4.2842 4.3195 4.3647 4.3680 4.4446 4.5041 4.5212 4.5280 4.5311 4.7727 4.7872 4.8600 4.8823 4.8852 4.9507 4.9623 4.9897 5.0750 5.1003 5.3760 5.4639 5.7445 5.7485 5.9953 5.9994 6.1039 6.1049 8.4207 8.4845 8.6636 8.8121 8.9327 8.9510 9.0857 9.1692 9.4087 9.5579 10.7902 10.8151 11.5966 11.6135 k = 0.1750 0.5000 0.1750 ( 6442 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6737 -25.6737 -6.6851 -6.6837 -6.3991 -6.3707 -6.1419 -6.1095 -6.0782 -6.0779 1.4390 1.4702 1.7758 1.7857 1.8211 1.8533 2.0741 2.1201 2.7517 2.7979 2.8256 2.8385 2.8628 2.9038 2.9281 2.9288 3.2051 3.2349 3.2633 3.2835 3.5672 3.6615 3.6709 3.6918 4.0269 4.0385 4.2548 4.2820 4.3176 4.3602 4.3695 4.4400 4.5010 4.5225 4.5291 4.5361 4.7675 4.7729 4.8542 4.8752 4.8806 4.9514 4.9708 4.9922 5.0878 5.1136 5.3944 5.4809 5.6943 5.7011 5.9890 5.9942 6.1035 6.1044 8.3846 8.4588 8.6742 8.8250 8.9241 8.9552 9.0531 9.1337 9.3901 9.5389 10.8071 10.8345 11.6553 11.6786 k = 0.1625 0.5000 0.1625 ( 6442 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6737 -25.6737 -6.6972 -6.6960 -6.4041 -6.3774 -6.1328 -6.1022 -6.0697 -6.0694 1.4289 1.4591 1.7869 1.7959 1.8316 1.8606 2.0805 2.1250 2.7497 2.7904 2.8259 2.8300 2.8601 2.8893 2.9236 2.9243 3.2198 3.2471 3.2704 3.2893 3.5854 3.6755 3.6895 3.7096 4.0180 4.0320 4.2524 4.2801 4.3165 4.3563 4.3706 4.4353 4.4973 4.5242 4.5303 4.5408 4.7570 4.7599 4.8367 4.8628 4.8900 4.9534 4.9804 4.9984 5.1011 5.1275 5.4115 5.4954 5.6446 5.6542 5.9859 5.9924 6.1042 6.1048 8.3493 8.4304 8.6849 8.8370 8.9209 8.9607 9.0217 9.1005 9.3716 9.5195 10.8207 10.8503 11.7078 11.7384 k = 0.1500 0.5000 0.1500 ( 6448 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6746 -25.6746 -25.6736 -25.6736 -6.7086 -6.7076 -6.4088 -6.3840 -6.1239 -6.0952 -6.0615 -6.0612 1.4186 1.4475 1.7967 1.8046 1.8409 1.8667 2.0858 2.1284 2.7488 2.7838 2.8228 2.8266 2.8588 2.8769 2.9199 2.9205 3.2339 3.2584 3.2775 3.2949 3.6043 3.6891 3.7089 3.7280 4.0097 4.0257 4.2502 4.2786 4.3163 4.3528 4.3712 4.4306 4.4930 4.5260 4.5314 4.5451 4.7401 4.7505 4.8164 4.8483 4.9019 4.9577 4.9908 5.0065 5.1147 5.1414 5.4266 5.5068 5.5960 5.6083 5.9862 5.9940 6.1056 6.1059 8.3156 8.4003 8.6953 8.8467 8.9226 8.9669 8.9924 9.0709 9.3534 9.4999 10.8307 10.8623 11.7522 11.7911 k = 0.1375 0.5000 0.1375 ( 6444 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6746 -25.6735 -25.6735 -6.7193 -6.7185 -6.4131 -6.3903 -6.1155 -6.0888 -6.0538 -6.0534 1.4083 1.4355 1.8052 1.8118 1.8491 1.8717 2.0900 2.1304 2.7488 2.7783 2.8168 2.8272 2.8586 2.8671 2.9170 2.9173 3.2471 3.2687 3.2847 3.3001 3.6237 3.7026 3.7287 3.7468 4.0017 4.0195 4.2483 4.2774 4.3169 4.3499 4.3714 4.4263 4.4879 4.5276 4.5327 4.5490 4.7230 4.7398 4.7951 4.8322 4.9148 4.9644 5.0018 5.0158 5.1283 5.1546 5.4392 5.5129 5.5507 5.5640 5.9900 5.9992 6.1075 6.1076 8.2837 8.3693 8.7050 8.8521 8.9282 8.9660 8.9734 9.0471 9.3359 9.4800 10.8370 10.8701 11.7854 11.8332 k = 0.1250 0.5000 0.1250 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6746 -25.6745 -25.6735 -25.6735 -6.7293 -6.7285 -6.4172 -6.3963 -6.1074 -6.0828 -6.0465 -6.0461 1.3981 1.4235 1.8122 1.8176 1.8564 1.8758 2.0934 2.1312 2.7495 2.7743 2.8118 2.8272 2.8589 2.8602 2.9147 2.9147 3.2593 3.2778 3.2919 3.3050 3.6433 3.7160 3.7485 3.7658 3.9941 4.0133 4.2473 4.2765 4.3183 4.3476 4.3713 4.4223 4.4820 4.5280 4.5344 4.5525 4.7062 4.7285 4.7733 4.8149 4.9284 4.9732 5.0135 5.0260 5.1415 5.1669 5.4485 5.4940 5.5222 5.5285 5.9972 6.0076 6.1096 6.1097 8.2541 8.3380 8.7131 8.8510 8.9353 8.9450 8.9799 9.0313 9.3191 9.4600 10.8397 10.8737 11.8029 11.8548 k = 0.1125 0.5000 0.1125 ( 6436 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6745 -25.6745 -25.6734 -25.6734 -6.7384 -6.7378 -6.4208 -6.4019 -6.0998 -6.0773 -6.0398 -6.0394 1.3884 1.4117 1.8178 1.8220 1.8627 1.8792 2.0961 2.1308 2.7509 2.7718 2.8075 2.8259 2.8564 2.8596 2.9128 2.9132 3.2704 3.2858 3.2989 3.3095 3.6627 3.7292 3.7681 3.7848 3.9869 4.0069 4.2474 4.2760 4.3205 4.3461 4.3708 4.4187 4.4754 4.5265 4.5372 4.5555 4.6904 4.7171 4.7511 4.7967 4.9426 4.9837 5.0257 5.0368 5.1542 5.1779 5.4510 5.4523 5.4863 5.5277 6.0075 6.0188 6.1118 6.1121 8.2271 8.3074 8.7188 8.8421 8.9237 8.9502 8.9863 9.0244 9.3033 9.4399 10.8389 10.8732 11.8001 11.8388 k = 0.1000 0.5000 0.1000 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3238 -34.3238 -25.6745 -25.6745 -25.6734 -25.6734 -6.7467 -6.7462 -6.4240 -6.4072 -6.0927 -6.0725 -6.0336 -6.0332 1.3792 1.4003 1.8222 1.8252 1.8683 1.8821 2.0982 2.1297 2.7527 2.7709 2.8038 2.8234 2.8552 2.8606 2.9115 2.9122 3.2803 3.2926 3.3055 3.3136 3.6819 3.7420 3.7872 3.8035 3.9800 4.0002 4.2488 4.2757 4.3233 4.3453 4.3701 4.4154 4.4680 4.5228 4.5408 4.5581 4.6762 4.7059 4.7290 4.7780 4.9573 4.9955 5.0383 5.0482 5.1658 5.1874 5.4106 5.4316 5.4719 5.5263 6.0204 6.0322 6.1142 6.1147 8.2029 8.2779 8.7213 8.8265 8.9116 8.9633 8.9924 9.0249 9.2889 9.4198 10.8352 10.8688 11.7797 11.8020 k = 0.0875 0.5000 0.0875 ( 6442 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7541 -6.7537 -6.4268 -6.4120 -6.0861 -6.0683 -6.0280 -6.0276 1.3708 1.3895 1.8253 1.8274 1.8731 1.8844 2.0998 2.1278 2.7550 2.7712 2.8005 2.8203 2.8558 2.8615 2.9107 2.9118 3.2891 3.2986 3.3114 3.3172 3.7003 3.7540 3.8056 3.8216 3.9734 3.9930 4.2516 4.2758 4.3266 4.3455 4.3693 4.4124 4.4601 4.5166 4.5452 4.5604 4.6642 4.6952 4.7075 4.7588 4.9725 5.0083 5.0509 5.0598 5.1760 5.1952 5.3713 5.3988 5.4711 5.5226 6.0352 6.0468 6.1167 6.1173 8.1817 8.2500 8.7203 8.8069 8.9057 8.9779 8.9977 9.0304 9.2762 9.3997 10.8291 10.8612 11.7512 11.7631 k = 0.0750 0.5000 0.0750 ( 6454 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7606 -6.7602 -6.4292 -6.4164 -6.0801 -6.0647 -6.0231 -6.0227 1.3634 1.3796 1.8275 1.8289 1.8771 1.8864 2.1011 2.1254 2.7576 2.7726 2.7975 2.8171 2.8571 2.8624 2.9104 2.9117 3.2966 3.3038 3.3165 3.3203 3.7179 3.7651 3.8232 3.8386 3.9670 3.9854 4.2557 4.2762 4.3305 4.3469 4.3685 4.4094 4.4520 4.5079 4.5502 4.5625 4.6548 4.6852 4.6869 4.7394 4.9882 5.0216 5.0630 5.0717 5.1843 5.2011 5.3355 5.3664 5.4709 5.5168 6.0507 6.0616 6.1192 6.1201 8.1638 8.2243 8.7162 8.7859 8.9057 8.9931 9.0008 9.0387 9.2658 9.3798 10.8215 10.8511 11.7216 11.7274 k = 0.0625 0.5000 0.0625 ( 6462 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7661 -6.7658 -6.4310 -6.4203 -6.0748 -6.0619 -6.0188 -6.0185 1.3570 1.3706 1.8289 1.8297 1.8806 1.8879 2.1023 2.1228 2.7604 2.7747 2.7950 2.8139 2.8587 2.8631 2.9106 2.9120 3.3031 3.3082 3.3207 3.3229 3.7343 3.7747 3.8396 3.8543 3.9609 3.9772 4.2608 4.2767 4.3348 4.3497 4.3677 4.4064 4.4440 4.4968 4.5560 4.5645 4.6481 4.6681 4.6761 4.7200 5.0044 5.0353 5.0742 5.0832 5.1900 5.2050 5.3043 5.3369 5.4699 5.5095 6.0660 6.0755 6.1219 6.1232 8.1493 8.2010 8.7103 8.7653 8.9107 9.0013 9.0082 9.0481 9.2582 9.3602 10.8133 10.8395 11.6943 11.6967 k = 0.0500 0.5000 0.0500 ( 6458 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7706 -6.7705 -6.4323 -6.4238 -6.0702 -6.0597 -6.0153 -6.0151 1.3519 1.3628 1.8297 1.8302 1.8834 1.8890 2.1034 2.1200 2.7634 2.7769 2.7930 2.8108 2.8602 2.8636 2.9110 2.9124 3.3085 3.3120 3.3239 3.3250 3.7493 3.7826 3.8548 3.8683 3.9553 3.9688 4.2662 4.2775 4.3398 4.3540 4.3669 4.4030 4.4368 4.4839 4.5624 4.5666 4.6438 4.6519 4.6680 4.7010 5.0212 5.0489 5.0837 5.0939 5.1917 5.2064 5.2797 5.3111 5.4687 5.5013 6.0797 6.0872 6.1249 6.1266 8.1383 8.1805 8.7042 8.7463 8.9192 8.9990 9.0228 9.0568 9.2539 9.3410 10.8054 10.8274 11.6710 11.6716 k = 0.0375 0.5000 0.0375 ( 6450 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7742 -6.7741 -6.4331 -6.4267 -6.0662 -6.0584 -6.0125 -6.0124 1.3481 1.3563 1.8301 1.8304 1.8857 1.8898 2.1047 2.1172 2.7664 2.7785 2.7921 2.8077 2.8614 2.8639 2.9117 2.9129 3.3128 3.3149 3.3263 3.3266 3.7625 3.7882 3.8686 3.8801 3.9501 3.9603 4.2712 4.2784 4.3453 4.3599 4.3660 4.3992 4.4310 4.4697 4.5689 4.5690 4.6390 4.6422 4.6608 4.6827 5.0385 5.0619 5.0906 5.1022 5.1887 5.2050 5.2638 5.2899 5.4677 5.4929 6.0908 6.0960 6.1282 6.1303 8.1309 8.1631 8.6992 8.7298 8.9300 8.9941 9.0362 9.0635 9.2535 9.3226 10.7988 10.8159 11.6523 11.6525 k = 0.0250 0.5000 0.0250 ( 6456 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7767 -6.7767 -6.4334 -6.4291 -6.0630 -6.0577 -6.0105 -6.0104 1.3457 1.3512 1.8303 1.8304 1.8874 1.8901 2.1061 2.1145 2.7694 2.7786 2.7929 2.8046 2.8624 2.8641 2.9123 2.9132 3.3159 3.3171 3.3278 3.3278 3.7735 3.7911 3.8804 3.8891 3.9457 3.9523 4.2751 4.2790 4.3510 4.3649 4.3672 4.3946 4.4276 4.4554 4.5715 4.5742 4.6318 4.6419 4.6545 4.6657 5.0561 5.0738 5.0944 5.1056 5.1834 5.2004 5.2566 5.2741 5.4678 5.4850 6.0986 6.1017 6.1318 6.1337 8.1271 8.1488 8.6963 8.7163 8.9419 8.9867 9.0479 9.0672 9.2570 9.3052 10.7944 10.8060 11.6388 11.6392 k = 0.0125 0.5000 0.0125 ( 6468 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6732 -25.6732 -6.7783 -6.7782 -6.4332 -6.4310 -6.0605 -6.0579 -6.0093 -6.0093 1.3448 1.3475 1.8303 1.8304 1.8887 1.8901 2.1078 2.1120 2.7723 2.7772 2.7952 2.8014 2.8632 2.8640 2.9129 2.9133 3.3179 3.3184 3.3285 3.3286 3.7822 3.7911 3.8896 3.8944 3.9427 3.9458 4.2777 4.2794 4.3561 4.3630 4.3753 4.3893 4.4278 4.4424 4.5741 4.5769 4.6313 4.6433 4.6482 4.6517 5.0734 5.0836 5.0945 5.1012 5.1818 5.1933 5.2553 5.2638 5.4694 5.4781 6.1032 6.1045 6.1349 6.1360 8.1271 8.1380 8.6962 8.7061 8.9543 8.9772 9.0573 9.0673 9.2645 9.2893 10.7926 10.7985 11.6308 11.6311 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4031 -61.4031 -34.3238 -34.3238 -25.6745 -25.6745 -25.6733 -25.6733 -6.7788 -6.7788 -6.4324 -6.4324 -6.0588 -6.0588 -6.0089 -6.0089 1.3454 1.3454 1.8304 1.8304 1.8896 1.8896 2.1097 2.1097 2.7749 2.7749 2.7982 2.7982 2.8637 2.8637 2.9132 2.9132 3.3187 3.3187 3.3288 3.3288 3.7881 3.7881 3.8947 3.8947 3.9424 3.9424 4.2790 4.2790 4.3602 4.3602 4.3829 4.3829 4.4327 4.4327 4.5763 4.5763 4.6379 4.6379 4.6462 4.6462 5.0891 5.0891 5.0910 5.0910 5.1859 5.1859 5.2578 5.2578 5.4728 5.4728 6.1050 6.1050 6.1365 6.1365 8.1307 8.1307 8.6994 8.6994 8.9662 8.9662 9.0639 9.0639 9.2755 9.2755 10.7940 10.7940 11.6282 11.6282 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5241 -6.5241 -6.3280 -6.3280 -6.2546 -6.2546 -6.1713 -6.1713 1.5473 1.5473 1.7669 1.7669 1.8430 1.8430 2.4452 2.4452 2.7062 2.7062 2.8551 2.8551 2.8993 2.8993 2.9006 2.9006 2.9315 2.9315 3.3045 3.3045 3.3982 3.3982 3.4361 3.4361 4.0678 4.0678 4.3455 4.3455 4.3480 4.3480 4.4142 4.4142 4.5186 4.5186 4.5338 4.5338 4.6156 4.6156 4.9523 4.9523 5.0425 5.0425 5.0535 5.0535 5.0840 5.0840 5.1757 5.1757 5.7487 5.7487 5.7788 5.7788 6.3552 6.3552 8.6015 8.6015 8.8146 8.8146 9.0031 9.0031 9.4276 9.4276 9.4894 9.4894 11.2919 11.2919 11.3048 11.3048 k = 0.5000 0.5000 0.0179 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6739 -25.6739 -6.5238 -6.5238 -6.3280 -6.3280 -6.2546 -6.2546 -6.1715 -6.1715 1.5470 1.5470 1.7658 1.7658 1.8417 1.8417 2.4369 2.4369 2.7123 2.7123 2.8562 2.8562 2.8995 2.8995 2.9015 2.9015 2.9330 2.9330 3.3041 3.3041 3.3981 3.3981 3.4363 3.4363 4.0684 4.0684 4.3445 4.3445 4.3482 4.3482 4.4148 4.4148 4.5177 4.5177 4.5340 4.5340 4.6157 4.6157 4.9512 4.9512 5.0431 5.0431 5.0533 5.0533 5.0848 5.0848 5.1754 5.1754 5.7504 5.7504 5.7804 5.7804 6.3558 6.3558 8.5988 8.5988 8.8178 8.8178 9.0037 9.0037 9.4281 9.4281 9.4902 9.4902 11.2889 11.2889 11.3016 11.3016 k = 0.5000 0.5000 0.0357 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6739 -25.6739 -6.5228 -6.5228 -6.3279 -6.3279 -6.2545 -6.2545 -6.1719 -6.1719 1.5460 1.5460 1.7624 1.7624 1.8382 1.8382 2.4146 2.4146 2.7283 2.7283 2.8596 2.8596 2.9004 2.9004 2.9042 2.9042 2.9376 2.9376 3.3031 3.3031 3.3980 3.3980 3.4370 3.4370 4.0704 4.0704 4.3419 4.3419 4.3487 4.3487 4.4166 4.4166 4.5154 4.5154 4.5346 4.5346 4.6163 4.6163 4.9483 4.9483 5.0440 5.0440 5.0540 5.0540 5.0868 5.0868 5.1747 5.1747 5.7557 5.7557 5.7850 5.7850 6.3577 6.3577 8.5911 8.5911 8.8268 8.8268 9.0056 9.0056 9.4294 9.4294 9.4926 9.4926 11.2798 11.2798 11.2922 11.2922 k = 0.5000 0.5000 0.0536 ( 6416 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6738 -25.6738 -6.5213 -6.5213 -6.3277 -6.3277 -6.2544 -6.2544 -6.1727 -6.1727 1.5444 1.5444 1.7569 1.7569 1.8324 1.8324 2.3827 2.3827 2.7491 2.7491 2.8653 2.8653 2.9021 2.9021 2.9084 2.9084 2.9460 2.9460 3.3015 3.3015 3.3980 3.3980 3.4381 3.4381 4.0738 4.0738 4.3379 4.3379 4.3497 4.3497 4.4194 4.4194 4.5119 4.5119 4.5353 4.5353 4.6172 4.6172 4.9439 4.9439 5.0430 5.0430 5.0575 5.0575 5.0894 5.0894 5.1734 5.1734 5.7645 5.7645 5.7930 5.7930 6.3608 6.3608 8.5800 8.5800 8.8398 8.8398 9.0092 9.0092 9.4317 9.4317 9.4965 9.4965 11.2647 11.2647 11.2766 11.2766 k = 0.5000 0.5000 0.0714 ( 6408 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6739 -25.6739 -6.5191 -6.5191 -6.3275 -6.3275 -6.2542 -6.2542 -6.1737 -6.1737 1.5422 1.5422 1.7494 1.7494 1.8244 1.8244 2.3449 2.3449 2.7704 2.7704 2.8729 2.8729 2.9047 2.9047 2.9141 2.9141 2.9586 2.9586 3.2992 3.2992 3.3979 3.3979 3.4395 3.4395 4.0784 4.0784 4.3328 4.3328 4.3509 4.3509 4.4228 4.4228 4.5075 4.5075 4.5360 4.5360 4.6184 4.6184 4.9384 4.9384 5.0401 5.0401 5.0634 5.0634 5.0920 5.0920 5.1717 5.1717 5.7771 5.7771 5.8043 5.8043 6.3652 6.3652 8.5670 8.5670 8.8543 8.8543 9.0155 9.0155 9.4348 9.4348 9.5017 9.5017 11.2440 11.2440 11.2552 11.2552 k = 0.5000 0.5000 0.0893 ( 6408 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6739 -25.6739 -6.5163 -6.5163 -6.3273 -6.3273 -6.2540 -6.2540 -6.1751 -6.1751 1.5393 1.5393 1.7399 1.7399 1.8145 1.8145 2.3038 2.3038 2.7896 2.7896 2.8818 2.8818 2.9084 2.9084 2.9213 2.9213 2.9761 2.9761 3.2962 3.2962 3.3979 3.3979 3.4412 3.4412 4.0842 4.0842 4.3271 4.3271 4.3525 4.3525 4.4264 4.4264 4.5025 4.5025 4.5367 4.5367 4.6199 4.6199 4.9322 4.9322 5.0362 5.0362 5.0702 5.0702 5.0940 5.0940 5.1695 5.1695 5.7934 5.7934 5.8190 5.8190 6.3707 6.3707 8.5535 8.5535 8.8680 8.8680 9.0255 9.0255 9.4385 9.4385 9.5080 9.5080 11.2179 11.2179 11.2282 11.2282 k = 0.5000 0.5000 0.1071 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6740 -25.6740 -6.5129 -6.5129 -6.3270 -6.3270 -6.2537 -6.2537 -6.1767 -6.1767 1.5359 1.5359 1.7287 1.7287 1.8029 1.8029 2.2608 2.2608 2.8057 2.8057 2.8906 2.8906 2.9136 2.9136 2.9297 2.9297 2.9982 2.9982 3.2925 3.2925 3.3979 3.3979 3.4430 3.4430 4.0911 4.0911 4.3209 4.3209 4.3543 4.3543 4.4303 4.4303 4.4970 4.4970 4.5374 4.5374 4.6218 4.6218 4.9255 4.9255 5.0313 5.0313 5.0770 5.0770 5.0949 5.0949 5.1669 5.1669 5.8136 5.8136 5.8372 5.8372 6.3773 6.3773 8.5403 8.5403 8.8790 8.8790 9.0400 9.0400 9.4428 9.4428 9.5150 9.5150 11.1868 11.1868 11.1963 11.1963 k = 0.5000 0.5000 0.1250 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6740 -25.6740 -6.5089 -6.5089 -6.3267 -6.3267 -6.2534 -6.2534 -6.1787 -6.1787 1.5319 1.5319 1.7160 1.7160 1.7899 1.7899 2.2168 2.2168 2.8193 2.8193 2.8985 2.8985 2.9209 2.9209 2.9395 2.9395 3.0243 3.0243 3.2883 3.2883 3.3981 3.3981 3.4449 3.4449 4.0991 4.0991 4.3146 4.3146 4.3564 4.3564 4.4341 4.4341 4.4914 4.4914 4.5380 4.5380 4.6240 4.6240 4.9185 4.9185 5.0257 5.0257 5.0832 5.0832 5.0948 5.0948 5.1640 5.1640 5.8377 5.8377 5.8592 5.8592 6.3849 6.3849 8.5282 8.5282 8.8864 8.8864 9.0594 9.0594 9.4474 9.4474 9.5226 9.5226 11.1513 11.1513 11.1600 11.1600 k = 0.5000 0.5000 0.1429 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6741 -25.6741 -6.5044 -6.5044 -6.3264 -6.3264 -6.2530 -6.2530 -6.1809 -6.1809 1.5274 1.5274 1.7021 1.7021 1.7756 1.7756 2.1725 2.1725 2.8310 2.8310 2.9051 2.9051 2.9303 2.9303 2.9505 2.9505 3.0529 3.0529 3.2835 3.2835 3.3985 3.3985 3.4468 3.4468 4.1079 4.1079 4.3085 4.3085 4.3587 4.3587 4.4380 4.4380 4.4857 4.4857 4.5386 4.5386 4.6268 4.6268 4.9113 4.9113 5.0192 5.0192 5.0872 5.0872 5.0943 5.0943 5.1610 5.1610 5.8656 5.8656 5.8848 5.8848 6.3933 6.3933 8.5177 8.5177 8.8900 8.8900 9.0833 9.0833 9.4520 9.4520 9.5302 9.5302 11.1121 11.1121 11.1203 11.1203 k = 0.5000 0.5000 0.1607 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6741 -25.6741 -6.4994 -6.4994 -6.3260 -6.3260 -6.2526 -6.2526 -6.1834 -6.1834 1.5224 1.5224 1.6872 1.6872 1.7604 1.7604 2.1284 2.1284 2.8417 2.8417 2.9108 2.9108 2.9414 2.9414 2.9623 2.9623 3.0827 3.0827 3.2781 3.2781 3.3989 3.3989 3.4487 3.4487 4.1175 4.1175 4.3027 4.3027 4.3613 4.3613 4.4416 4.4416 4.4802 4.4802 4.5392 4.5392 4.6299 4.6299 4.9040 4.9040 5.0118 5.0118 5.0859 5.0859 5.0959 5.0959 5.1580 5.1580 5.8972 5.8972 5.9140 5.9140 6.4026 6.4026 8.5093 8.5093 8.8904 8.8904 9.1105 9.1105 9.4564 9.4564 9.5374 9.5374 11.0697 11.0697 11.0779 11.0779 k = 0.5000 0.5000 0.1786 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6742 -25.6742 -6.4939 -6.4939 -6.3257 -6.3257 -6.2522 -6.2522 -6.1862 -6.1862 1.5170 1.5170 1.6715 1.6715 1.7445 1.7445 2.0847 2.0847 2.8519 2.8519 2.9164 2.9164 2.9535 2.9535 2.9749 2.9749 3.1128 3.1128 3.2722 3.2722 3.3995 3.3995 3.4504 3.4504 4.1276 4.1276 4.2975 4.2975 4.3639 4.3639 4.4451 4.4451 4.4750 4.4750 4.5397 4.5397 4.6337 4.6337 4.8965 4.8965 5.0033 5.0033 5.0808 5.0808 5.0977 5.0977 5.1551 5.1551 5.9321 5.9321 5.9468 5.9468 6.4126 6.4126 8.5033 8.5033 8.8883 8.8883 9.1399 9.1399 9.4602 9.4602 9.5439 9.5439 11.0252 11.0252 11.0340 11.0340 k = 0.5000 0.5000 0.1964 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3239 -34.3239 -25.6751 -25.6751 -25.6743 -25.6743 -6.4880 -6.4880 -6.3253 -6.3253 -6.2518 -6.2518 -6.1893 -6.1893 1.5111 1.5111 1.6554 1.6554 1.7282 1.7282 2.0419 2.0419 2.8619 2.8619 2.9220 2.9220 2.9664 2.9664 2.9881 2.9881 3.1422 3.1422 3.2658 3.2658 3.4004 3.4004 3.4520 3.4520 4.1379 4.1379 4.2932 4.2932 4.3667 4.3667 4.4481 4.4481 4.4705 4.4705 4.5402 4.5402 4.6379 4.6379 4.8890 4.8890 4.9940 4.9940 5.0737 5.0737 5.0978 5.0978 5.1524 5.1524 5.9700 5.9700 5.9829 5.9829 6.4232 6.4232 8.5000 8.5000 8.8844 8.8844 9.1704 9.1704 9.4632 9.4632 9.5491 9.5491 10.9794 10.9794 10.9894 10.9894 k = 0.5000 0.5000 0.2143 ( 6432 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6743 -25.6743 -6.4816 -6.4816 -6.3250 -6.3250 -6.2513 -6.2513 -6.1926 -6.1926 1.5050 1.5050 1.6391 1.6391 1.7116 1.7116 2.0000 2.0000 2.8720 2.8720 2.9279 2.9279 2.9798 2.9798 3.0016 3.0016 3.1705 3.1705 3.2589 3.2589 3.4013 3.4013 3.4533 3.4533 4.1482 4.1482 4.2901 4.2901 4.3696 4.3696 4.4503 4.4503 4.4671 4.4671 4.5407 4.5407 4.6428 4.6428 4.8813 4.8813 4.9838 4.9838 5.0648 5.0648 5.0960 5.0960 5.1498 5.1498 6.0101 6.0101 6.0222 6.0222 6.4341 6.4341 8.4996 8.4996 8.8792 8.8792 9.2008 9.2008 9.4648 9.4648 9.5525 9.5525 10.9335 10.9335 10.9450 10.9450 k = 0.5000 0.5000 0.2321 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6744 -25.6744 -6.4749 -6.4749 -6.3247 -6.3247 -6.2509 -6.2509 -6.1962 -6.1962 1.4985 1.4985 1.6230 1.6230 1.6949 1.6949 1.9593 1.9593 2.8823 2.8823 2.9340 2.9340 2.9937 2.9937 3.0153 3.0153 3.1971 3.1971 3.2516 3.2516 3.4025 3.4025 3.4544 3.4544 4.1580 4.1580 4.2885 4.2885 4.3724 4.3724 4.4508 4.4508 4.4658 4.4658 4.5410 4.5410 4.6481 4.6481 4.8734 4.8734 4.9729 4.9729 5.0546 5.0546 5.0923 5.0923 5.1470 5.1470 6.0520 6.0520 6.0644 6.0644 6.4454 6.4454 8.5022 8.5022 8.8730 8.8730 9.2302 9.2302 9.4649 9.4649 9.5536 9.5536 10.8884 10.8884 10.9018 10.9018 k = 0.5000 0.5000 0.2500 ( 6456 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6745 -25.6745 -6.4678 -6.4678 -6.3245 -6.3245 -6.2504 -6.2504 -6.2000 -6.2000 1.4918 1.4918 1.6073 1.6073 1.6785 1.6785 1.9199 1.9199 2.8928 2.8928 2.9405 2.9405 3.0078 3.0078 3.0290 3.0290 3.2217 3.2217 3.2441 3.2441 3.4039 3.4039 3.4551 3.4551 4.1670 4.1670 4.2888 4.2888 4.3752 4.3752 4.4494 4.4494 4.4669 4.4669 4.5411 4.5411 4.6541 4.6541 4.8654 4.8654 4.9616 4.9616 5.0432 5.0432 5.0873 5.0873 5.1435 5.1435 6.0952 6.0952 6.1090 6.1090 6.4569 6.4569 8.5081 8.5081 8.8661 8.8661 9.2574 9.2574 9.4632 9.4632 9.5522 9.5522 10.8449 10.8449 10.8606 10.8606 k = 0.5000 0.5000 0.2679 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6746 -25.6746 -6.4605 -6.4605 -6.3243 -6.3243 -6.2499 -6.2499 -6.2039 -6.2039 1.4849 1.4849 1.5923 1.5923 1.6624 1.6624 1.8821 1.8821 2.9036 2.9036 2.9474 2.9474 3.0221 3.0221 3.0427 3.0427 3.2356 3.2356 3.2448 3.2448 3.4056 3.4056 3.4556 3.4556 4.1746 4.1746 4.2914 4.2914 4.3780 4.3780 4.4470 4.4470 4.4697 4.4697 4.5412 4.5412 4.6605 4.6605 4.8573 4.8573 4.9499 4.9499 5.0310 5.0310 5.0814 5.0814 5.1391 5.1391 6.1392 6.1392 6.1554 6.1554 6.4685 6.4685 8.5173 8.5173 8.8587 8.8587 9.2814 9.2814 9.4595 9.4595 9.5479 9.5479 10.8039 10.8039 10.8221 10.8221 k = 0.5000 0.5000 0.2857 ( 6456 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6747 -25.6747 -6.4529 -6.4529 -6.3242 -6.3242 -6.2495 -6.2495 -6.2081 -6.2081 1.4778 1.4778 1.5784 1.5784 1.6469 1.6469 1.8458 1.8458 2.9146 2.9146 2.9544 2.9544 3.0364 3.0364 3.0561 3.0561 3.2277 3.2277 3.2646 3.2646 3.4077 3.4077 3.4557 3.4557 4.1805 4.1805 4.2965 4.2965 4.3806 4.3806 4.4443 4.4443 4.4731 4.4731 4.5409 4.5409 4.6675 4.6675 4.8490 4.8490 4.9381 4.9381 5.0183 5.0183 5.0749 5.0749 5.1335 5.1335 6.1837 6.1837 6.2026 6.2026 6.4800 6.4800 8.5297 8.5297 8.8512 8.8512 9.3008 9.3008 9.4537 9.4537 9.5407 9.5407 10.7654 10.7654 10.7871 10.7871 k = 0.5000 0.5000 0.3036 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6747 -25.6747 -6.4452 -6.4452 -6.3243 -6.3243 -6.2490 -6.2490 -6.2124 -6.2124 1.4706 1.4706 1.5659 1.5659 1.6320 1.6320 1.8113 1.8113 2.9257 2.9257 2.9618 2.9618 3.0506 3.0506 3.0691 3.0691 3.2194 3.2194 3.2821 3.2821 3.4102 3.4102 3.4555 3.4555 4.1847 4.1847 4.3040 4.3040 4.3831 4.3831 4.4418 4.4418 4.4769 4.4769 4.5403 4.5403 4.6750 4.6750 4.8406 4.8406 4.9262 4.9262 5.0056 5.0056 5.0681 5.0681 5.1264 5.1264 6.2280 6.2280 6.2500 6.2500 6.4913 6.4913 8.5453 8.5453 8.8435 8.8435 9.3146 9.3146 9.4461 9.4461 9.5305 9.5305 10.7294 10.7294 10.7558 10.7558 k = 0.5000 0.5000 0.3214 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6748 -25.6748 -6.4374 -6.4374 -6.3245 -6.3245 -6.2486 -6.2486 -6.2167 -6.2167 1.4633 1.4633 1.5549 1.5549 1.6180 1.6180 1.7786 1.7786 2.9368 2.9368 2.9692 2.9692 3.0645 3.0645 3.0816 3.0816 3.2109 3.2109 3.2969 3.2969 3.4133 3.4133 3.4551 3.4551 4.1874 4.1874 4.3136 4.3136 4.3855 4.3855 4.4396 4.4396 4.4809 4.4809 4.5394 4.5394 4.6829 4.6829 4.8323 4.8323 4.9142 4.9142 4.9934 4.9934 5.0612 5.0612 5.1179 5.1179 6.2717 6.2717 6.2969 6.2969 6.5023 6.5023 8.5639 8.5639 8.8359 8.8359 9.3219 9.3219 9.4366 9.4366 9.5177 9.5177 10.6957 10.6957 10.7287 10.7287 k = 0.5000 0.5000 0.3393 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6748 -25.6748 -6.4295 -6.4295 -6.3250 -6.3250 -6.2482 -6.2482 -6.2211 -6.2211 1.4560 1.4560 1.5457 1.5457 1.6049 1.6049 1.7479 1.7479 2.9477 2.9477 2.9767 2.9767 3.0778 3.0778 3.0935 3.0935 3.2024 3.2024 3.3090 3.3090 3.4168 3.4168 3.4543 3.4543 4.1889 4.1889 4.3249 4.3249 4.3876 4.3876 4.4377 4.4377 4.4850 4.4850 4.5379 4.5379 4.6913 4.6913 4.8240 4.8240 4.9022 4.9022 4.9821 4.9821 5.0544 5.0544 5.1082 5.1082 6.3140 6.3140 6.3425 6.3425 6.5129 6.5129 8.5852 8.5852 8.8286 8.8286 9.3225 9.3225 9.4253 9.4253 9.5025 9.5025 10.6653 10.6653 10.7058 10.7058 k = 0.5000 0.5000 0.3571 ( 6452 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6749 -25.6749 -6.4217 -6.4217 -6.3256 -6.3256 -6.2478 -6.2478 -6.2254 -6.2254 1.4488 1.4488 1.5386 1.5386 1.5929 1.5929 1.7191 1.7191 2.9583 2.9583 2.9840 2.9840 3.0906 3.0906 3.1046 3.1046 3.1940 3.1940 3.3185 3.3185 3.4209 3.4209 3.4533 3.4533 4.1895 4.1895 4.3371 4.3371 4.3895 4.3895 4.4361 4.4361 4.4891 4.4891 4.5360 4.5360 4.6999 4.6999 4.8161 4.8161 4.8901 4.8901 4.9722 4.9722 5.0479 5.0479 5.0973 5.0973 6.3541 6.3541 6.3861 6.3861 6.5231 6.5231 8.6088 8.6088 8.8216 8.8216 9.3172 9.3172 9.4122 9.4122 9.4852 9.4852 10.6406 10.6406 10.6870 10.6870 k = 0.5000 0.5000 0.3750 ( 6456 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6752 -25.6752 -25.6750 -25.6750 -6.4140 -6.4140 -6.3265 -6.3265 -6.2474 -6.2474 -6.2295 -6.2295 1.4418 1.4418 1.5334 1.5334 1.5820 1.5820 1.6924 1.6924 2.9685 2.9685 2.9911 2.9911 3.1024 3.1024 3.1148 3.1148 3.1858 3.1858 3.3255 3.3255 3.4253 3.4253 3.4522 3.4522 4.1896 4.1896 4.3500 4.3500 4.3912 4.3912 4.4348 4.4348 4.4930 4.4930 4.5336 4.5336 4.7089 4.7089 4.8086 4.8086 4.8776 4.8776 4.9642 4.9642 5.0418 5.0418 5.0855 5.0855 6.3914 6.3914 6.4269 6.4269 6.5327 6.5327 8.6342 8.6342 8.8151 8.8151 9.3072 9.3072 9.3973 9.3973 9.4659 9.4659 10.6231 10.6231 10.6722 10.6722 k = 0.5000 0.5000 0.3929 ( 6448 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6750 -25.6750 -6.4066 -6.4066 -6.3276 -6.3276 -6.2471 -6.2471 -6.2335 -6.2335 1.4352 1.4352 1.5304 1.5304 1.5725 1.5725 1.6678 1.6678 2.9781 2.9781 2.9978 2.9978 3.1132 3.1132 3.1241 3.1241 3.1780 3.1780 3.3306 3.3306 3.4299 3.4299 3.4510 3.4510 4.1894 4.1894 4.3629 4.3629 4.3927 4.3927 4.4336 4.4336 4.4967 4.4967 4.5305 4.5305 4.7183 4.7183 4.8019 4.8019 4.8650 4.8650 4.9583 4.9583 5.0362 5.0362 5.0731 5.0731 6.4250 6.4250 6.4642 6.4642 6.5419 6.5419 8.6606 8.6606 8.8091 8.8091 9.2944 9.2944 9.3815 9.3815 9.4448 9.4448 10.6134 10.6134 10.6610 10.6610 k = 0.5000 0.5000 0.4107 ( 6440 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6750 -25.6750 -6.3996 -6.3996 -6.3290 -6.3290 -6.2468 -6.2468 -6.2370 -6.2370 1.4292 1.4292 1.5294 1.5294 1.5642 1.5642 1.6455 1.6455 2.9871 2.9871 3.0037 3.0037 3.1227 3.1227 3.1322 3.1322 3.1710 3.1710 3.3339 3.3339 3.4342 3.4342 3.4498 3.4498 4.1890 4.1890 4.3756 4.3756 4.3939 4.3939 4.4326 4.4326 4.5002 4.5002 4.5271 4.5271 4.7278 4.7278 4.7961 4.7961 4.8521 4.8521 4.9546 4.9546 5.0313 5.0313 5.0607 5.0607 6.4542 6.4542 6.4974 6.4974 6.5506 6.5506 8.6871 8.6871 8.8037 8.8037 9.2805 9.2805 9.3658 9.3658 9.4223 9.4223 10.6106 10.6106 10.6528 10.6528 k = 0.5000 0.5000 0.4286 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6750 -25.6750 -6.3931 -6.3931 -6.3306 -6.3306 -6.2466 -6.2466 -6.2401 -6.2401 1.4241 1.4241 1.5303 1.5303 1.5574 1.5574 1.6254 1.6254 2.9952 2.9952 3.0087 3.0087 3.1307 3.1307 3.1389 3.1389 3.1650 3.1650 3.3360 3.3360 3.4381 3.4381 3.4487 3.4487 4.1886 4.1886 4.3876 4.3876 4.3950 4.3950 4.4315 4.4315 4.5032 4.5032 4.5232 4.5232 4.7374 4.7374 4.7914 4.7914 4.8393 4.8393 4.9530 4.9530 5.0272 5.0272 5.0486 5.0486 6.4781 6.4781 6.5256 6.5256 6.5589 6.5589 8.7126 8.7126 8.7989 8.7989 9.2668 9.2668 9.3516 9.3516 9.3994 9.3994 10.6130 10.6130 10.6470 10.6470 k = 0.5000 0.5000 0.4464 ( 6424 PWs) bands (ev): -61.4030 -61.4030 -34.3240 -34.3240 -25.6751 -25.6751 -25.6750 -25.6750 -6.3875 -6.3875 -6.3324 -6.3324 -6.2464 -6.2464 -6.2427 -6.2427 1.4199 1.4199 1.5330 1.5330 1.5520 1.5520 1.6079 1.6079 3.0022 3.0022 3.0125 3.0125 3.1370 3.1370 3.1436 3.1436 3.1606 3.1606 3.3372 3.3372 3.4413 3.4413 3.4477 3.4477 4.1883 4.1883 4.3956 4.3956 4.3986 4.3986 4.4301 4.4301 4.5058 4.5058 4.5193 4.5193 4.7469 4.7469 4.7881 4.7881 4.8267 4.8267 4.9530 4.9530 5.0238 5.0238 5.0375 5.0375 6.4962 6.4962 6.5482 6.5482 6.5665 6.5665 8.7357 8.7357 8.7946 8.7946 9.2546 9.2546 9.3402 9.3402 9.3776 9.3776 10.6186 10.6186 10.6430 10.6430 k = 0.5000 0.5000 0.4643 ( 6456 PWs) bands (ev): -61.4030 -61.4030 -34.3241 -34.3241 -25.6752 -25.6752 -25.6751 -25.6751 -6.3830 -6.3830 -6.3340 -6.3340 -6.2463 -6.2463 -6.2446 -6.2446 1.4168 1.4168 1.5370 1.5370 1.5481 1.5481 1.5932 1.5932 3.0078 3.0078 3.0149 3.0149 3.1414 3.1414 3.1455 3.1455 3.1587 3.1587 3.3378 3.3378 3.4437 3.4437 3.4468 3.4468 4.1879 4.1879 4.3962 4.3962 4.4079 4.4079 4.4282 4.4282 4.5078 4.5078 4.5157 4.5157 4.7555 4.7555 4.7867 4.7867 4.8146 4.8146 4.9542 4.9542 5.0213 5.0213 5.0282 5.0282 6.5086 6.5086 6.5648 6.5648 6.5729 6.5729 8.7551 8.7551 8.7905 8.7905 9.2450 9.2450 9.3329 9.3329 9.3584 9.3584 10.6253 10.6253 10.6402 10.6402 k = 0.5000 0.5000 0.4821 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3800 -6.3800 -6.3352 -6.3352 -6.2462 -6.2462 -6.2458 -6.2458 1.4149 1.4149 1.5415 1.5415 1.5457 1.5457 1.5824 1.5824 3.0121 3.0121 3.0156 3.0156 3.1440 3.1440 3.1452 3.1452 3.1588 3.1588 3.3380 3.3380 3.4452 3.4452 3.4463 3.4463 4.1876 4.1876 4.3964 4.3964 4.4155 4.4155 4.4254 4.4254 4.5093 4.5093 4.5128 4.5128 4.7620 4.7620 4.7883 4.7883 4.8034 4.8034 4.9555 4.9555 5.0197 5.0197 5.0218 5.0218 6.5157 6.5157 6.5749 6.5749 6.5772 6.5772 8.7697 8.7697 8.7860 8.7860 9.2388 9.2388 9.3306 9.3306 9.3436 9.3436 10.6311 10.6311 10.6379 10.6379 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4031 -61.4031 -34.3241 -34.3241 -25.6752 -25.6752 -25.6752 -25.6752 -6.3790 -6.3790 -6.3357 -6.3357 -6.2462 -6.2462 -6.2462 -6.2462 1.4143 1.4143 1.5443 1.5443 1.5443 1.5443 1.5781 1.5781 3.0147 3.0147 3.0147 3.0147 3.1449 3.1449 3.1449 3.1449 3.1592 3.1592 3.3381 3.3381 3.4459 3.4459 3.4459 3.4459 4.1876 4.1876 4.3965 4.3965 4.4213 4.4213 4.4213 4.4213 4.5108 4.5108 4.5108 4.5108 4.7644 4.7644 4.7941 4.7941 4.7941 4.7941 4.9561 4.9561 5.0194 5.0194 5.0194 5.0194 6.5180 6.5180 6.5785 6.5785 6.5785 6.5785 8.7796 8.7796 8.7796 8.7796 9.2367 9.2367 9.3341 9.3341 9.3341 9.3341 10.6352 10.6352 10.6352 10.6352 Writing output data file TaCu3Se4.save init_run : 4.81s CPU 13.85s WALL ( 1 calls) electrons : 1169.83s CPU 1182.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 1169.80s CPU 1182.63s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.20s CPU 0.52s WALL ( 1 calls) newd : 1.13s CPU 1.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 219 calls) cegterg : 1119.81s CPU 1130.17s WALL ( 604 calls) Called by sum_band: Called by *egterg: h_psi : 332.76s CPU 340.03s WALL ( 10409 calls) s_psi : 42.74s CPU 43.26s WALL ( 10409 calls) g_psi : 1.06s CPU 1.14s WALL ( 9586 calls) cdiaghg : 563.77s CPU 562.84s WALL ( 9805 calls) cegterg:over : 100.50s CPU 98.16s WALL ( 9586 calls) cegterg:upda : 33.87s CPU 35.90s WALL ( 9586 calls) cegterg:last : 24.18s CPU 24.56s WALL ( 1321 calls) Called by h_psi: h_psi:vloc : 245.44s CPU 250.68s WALL ( 10409 calls) h_psi:vnl : 86.68s CPU 88.03s WALL ( 10409 calls) add_vuspsi : 32.30s CPU 35.86s WALL ( 10409 calls) General routines calbec : 54.33s CPU 52.06s WALL ( 10409 calls) fft : 0.42s CPU 1.25s WALL ( 19 calls) ffts : 0.05s CPU 0.06s WALL ( 4 calls) fftw : 232.70s CPU 235.15s WALL ( 1318708 calls) interpolate : 0.08s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 1.59s WALL ( 438 calls) Parallel routines fft_scatter : 161.36s CPU 162.97s WALL ( 1318731 calls) PWSCF : 20m41.93s CPU 22m58.66s WALL This run was terminated on: 23:12:38 28Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=