Program PWSCF v.5.1.1 starts on 2Nov2015 at 0: 4:16 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 1856 1067 168 Max 51 36 11 1861 1081 173 Sum 2417 1685 489 89199 51627 8121 bravais-lattice index = 14 lattice parameter (alat) = 10.7034 a.u. unit-cell volume = 1226.2139 (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)= 10.703408 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: 89199 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 0.36 Mb ( 280, 84) NL pseudopotentials 0.35 Mb ( 140, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1858) G-vector shells 0.00 Mb ( 470) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.44 Mb ( 280, 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 49.4 secs Computing kpt #: 2 total cpu time spent up to now is 56.0 secs Computing kpt #: 3 total cpu time spent up to now is 63.5 secs Computing kpt #: 4 total cpu time spent up to now is 71.2 secs Computing kpt #: 5 total cpu time spent up to now is 80.2 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.7 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.2 secs Computing kpt #: 8 total cpu time spent up to now is 107.4 secs Computing kpt #: 9 total cpu time spent up to now is 114.9 secs Computing kpt #: 10 total cpu time spent up to now is 121.4 secs Computing kpt #: 11 total cpu time spent up to now is 127.5 secs Computing kpt #: 12 total cpu time spent up to now is 133.4 secs Computing kpt #: 13 total cpu time spent up to now is 139.0 secs Computing kpt #: 14 total cpu time spent up to now is 144.1 secs Computing kpt #: 15 total cpu time spent up to now is 148.9 secs Computing kpt #: 16 total cpu time spent up to now is 153.3 secs Computing kpt #: 17 total cpu time spent up to now is 157.5 secs Computing kpt #: 18 total cpu time spent up to now is 161.9 secs Computing kpt #: 19 total cpu time spent up to now is 166.3 secs Computing kpt #: 20 total cpu time spent up to now is 170.7 secs Computing kpt #: 21 total cpu time spent up to now is 175.4 secs Computing kpt #: 22 total cpu time spent up to now is 180.0 secs Computing kpt #: 23 total cpu time spent up to now is 184.7 secs Computing kpt #: 24 total cpu time spent up to now is 189.3 secs Computing kpt #: 25 total cpu time spent up to now is 193.9 secs Computing kpt #: 26 total cpu time spent up to now is 198.5 secs Computing kpt #: 27 total cpu time spent up to now is 203.3 secs Computing kpt #: 28 total cpu time spent up to now is 207.8 secs Computing kpt #: 29 total cpu time spent up to now is 212.4 secs Computing kpt #: 30 total cpu time spent up to now is 216.9 secs Computing kpt #: 31 total cpu time spent up to now is 221.6 secs Computing kpt #: 32 total cpu time spent up to now is 226.2 secs Computing kpt #: 33 total cpu time spent up to now is 230.9 secs Computing kpt #: 34 total cpu time spent up to now is 235.9 secs Computing kpt #: 35 total cpu time spent up to now is 240.8 secs Computing kpt #: 36 total cpu time spent up to now is 245.6 secs Computing kpt #: 37 total cpu time spent up to now is 250.5 secs Computing kpt #: 38 total cpu time spent up to now is 255.2 secs Computing kpt #: 39 total cpu time spent up to now is 260.0 secs Computing kpt #: 40 total cpu time spent up to now is 264.8 secs Computing kpt #: 41 total cpu time spent up to now is 269.5 secs Computing kpt #: 42 total cpu time spent up to now is 274.1 secs Computing kpt #: 43 total cpu time spent up to now is 278.7 secs Computing kpt #: 44 total cpu time spent up to now is 283.1 secs Computing kpt #: 45 total cpu time spent up to now is 287.7 secs Computing kpt #: 46 total cpu time spent up to now is 292.1 secs Computing kpt #: 47 total cpu time spent up to now is 296.4 secs Computing kpt #: 48 total cpu time spent up to now is 300.8 secs Computing kpt #: 49 total cpu time spent up to now is 305.4 secs Computing kpt #: 50 total cpu time spent up to now is 309.5 secs Computing kpt #: 51 total cpu time spent up to now is 313.6 secs Computing kpt #: 52 total cpu time spent up to now is 317.7 secs Computing kpt #: 53 total cpu time spent up to now is 321.7 secs Computing kpt #: 54 total cpu time spent up to now is 325.8 secs Computing kpt #: 55 total cpu time spent up to now is 330.1 secs Computing kpt #: 56 total cpu time spent up to now is 334.2 secs Computing kpt #: 57 total cpu time spent up to now is 338.4 secs Computing kpt #: 58 total cpu time spent up to now is 342.7 secs Computing kpt #: 59 total cpu time spent up to now is 346.8 secs Computing kpt #: 60 total cpu time spent up to now is 351.1 secs Computing kpt #: 61 total cpu time spent up to now is 355.2 secs Computing kpt #: 62 total cpu time spent up to now is 359.4 secs Computing kpt #: 63 total cpu time spent up to now is 363.5 secs Computing kpt #: 64 total cpu time spent up to now is 367.6 secs Computing kpt #: 65 total cpu time spent up to now is 371.7 secs Computing kpt #: 66 total cpu time spent up to now is 375.8 secs Computing kpt #: 67 total cpu time spent up to now is 379.8 secs Computing kpt #: 68 total cpu time spent up to now is 384.1 secs Computing kpt #: 69 total cpu time spent up to now is 388.6 secs Computing kpt #: 70 total cpu time spent up to now is 393.3 secs Computing kpt #: 71 total cpu time spent up to now is 398.3 secs Computing kpt #: 72 total cpu time spent up to now is 403.3 secs Computing kpt #: 73 total cpu time spent up to now is 408.2 secs Computing kpt #: 74 total cpu time spent up to now is 413.1 secs Computing kpt #: 75 total cpu time spent up to now is 418.1 secs Computing kpt #: 76 total cpu time spent up to now is 423.0 secs Computing kpt #: 77 total cpu time spent up to now is 428.0 secs Computing kpt #: 78 total cpu time spent up to now is 433.0 secs Computing kpt #: 79 total cpu time spent up to now is 438.0 secs Computing kpt #: 80 total cpu time spent up to now is 443.0 secs Computing kpt #: 81 total cpu time spent up to now is 448.6 secs Computing kpt #: 82 total cpu time spent up to now is 456.0 secs Computing kpt #: 83 total cpu time spent up to now is 463.1 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 472.9 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.2 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.1 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.1 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.1 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.1 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 532.9 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.1 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 553.2 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 563.2 secs Computing kpt #: 94 total cpu time spent up to now is 572.4 secs Computing kpt #: 95 total cpu time spent up to now is 580.2 secs Computing kpt #: 96 total cpu time spent up to now is 588.0 secs Computing kpt #: 97 total cpu time spent up to now is 595.8 secs Computing kpt #: 98 total cpu time spent up to now is 604.0 secs Computing kpt #: 99 total cpu time spent up to now is 611.9 secs Computing kpt #: 100 total cpu time spent up to now is 618.3 secs Computing kpt #: 101 total cpu time spent up to now is 624.9 secs Computing kpt #: 102 total cpu time spent up to now is 632.5 secs Computing kpt #: 103 total cpu time spent up to now is 639.2 secs Computing kpt #: 104 total cpu time spent up to now is 647.0 secs Computing kpt #: 105 total cpu time spent up to now is 654.9 secs Computing kpt #: 106 total cpu time spent up to now is 663.9 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 673.5 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 683.2 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 693.0 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 702.6 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 712.3 secs Computing kpt #: 112 total cpu time spent up to now is 721.7 secs Computing kpt #: 113 total cpu time spent up to now is 729.6 secs Computing kpt #: 114 total cpu time spent up to now is 738.3 secs Computing kpt #: 115 total cpu time spent up to now is 747.1 secs Computing kpt #: 116 total cpu time spent up to now is 754.8 secs Computing kpt #: 117 total cpu time spent up to now is 761.5 secs Computing kpt #: 118 total cpu time spent up to now is 769.0 secs Computing kpt #: 119 total cpu time spent up to now is 773.9 secs Computing kpt #: 120 total cpu time spent up to now is 779.6 secs Computing kpt #: 121 total cpu time spent up to now is 785.2 secs Computing kpt #: 122 total cpu time spent up to now is 790.1 secs Computing kpt #: 123 total cpu time spent up to now is 795.0 secs Computing kpt #: 124 total cpu time spent up to now is 800.7 secs Computing kpt #: 125 total cpu time spent up to now is 805.3 secs Computing kpt #: 126 total cpu time spent up to now is 809.9 secs Computing kpt #: 127 total cpu time spent up to now is 814.4 secs Computing kpt #: 128 total cpu time spent up to now is 819.1 secs Computing kpt #: 129 total cpu time spent up to now is 823.5 secs Computing kpt #: 130 total cpu time spent up to now is 828.1 secs Computing kpt #: 131 total cpu time spent up to now is 832.6 secs Computing kpt #: 132 total cpu time spent up to now is 836.9 secs Computing kpt #: 133 total cpu time spent up to now is 841.3 secs Computing kpt #: 134 total cpu time spent up to now is 845.7 secs Computing kpt #: 135 total cpu time spent up to now is 850.2 secs Computing kpt #: 136 total cpu time spent up to now is 854.5 secs Computing kpt #: 137 total cpu time spent up to now is 858.9 secs Computing kpt #: 138 total cpu time spent up to now is 863.2 secs Computing kpt #: 139 total cpu time spent up to now is 867.5 secs Computing kpt #: 140 total cpu time spent up to now is 872.0 secs Computing kpt #: 141 total cpu time spent up to now is 876.4 secs Computing kpt #: 142 total cpu time spent up to now is 880.7 secs Computing kpt #: 143 total cpu time spent up to now is 885.0 secs Computing kpt #: 144 total cpu time spent up to now is 889.2 secs Computing kpt #: 145 total cpu time spent up to now is 893.5 secs Computing kpt #: 146 total cpu time spent up to now is 897.9 secs Computing kpt #: 147 total cpu time spent up to now is 902.9 secs Computing kpt #: 148 total cpu time spent up to now is 908.2 secs Computing kpt #: 149 total cpu time spent up to now is 912.4 secs Computing kpt #: 150 total cpu time spent up to now is 916.5 secs Computing kpt #: 151 total cpu time spent up to now is 920.7 secs Computing kpt #: 152 total cpu time spent up to now is 925.0 secs Computing kpt #: 153 total cpu time spent up to now is 929.3 secs Computing kpt #: 154 total cpu time spent up to now is 933.6 secs Computing kpt #: 155 total cpu time spent up to now is 937.9 secs Computing kpt #: 156 total cpu time spent up to now is 942.3 secs Computing kpt #: 157 total cpu time spent up to now is 946.7 secs Computing kpt #: 158 total cpu time spent up to now is 951.0 secs Computing kpt #: 159 total cpu time spent up to now is 955.1 secs Computing kpt #: 160 total cpu time spent up to now is 959.4 secs Computing kpt #: 161 total cpu time spent up to now is 963.5 secs Computing kpt #: 162 total cpu time spent up to now is 967.6 secs Computing kpt #: 163 total cpu time spent up to now is 971.7 secs Computing kpt #: 164 total cpu time spent up to now is 975.8 secs Computing kpt #: 165 total cpu time spent up to now is 979.8 secs Computing kpt #: 166 total cpu time spent up to now is 983.9 secs Computing kpt #: 167 total cpu time spent up to now is 987.6 secs Computing kpt #: 168 total cpu time spent up to now is 991.8 secs Computing kpt #: 169 total cpu time spent up to now is 995.9 secs Computing kpt #: 170 total cpu time spent up to now is 1000.1 secs Computing kpt #: 171 total cpu time spent up to now is 1004.2 secs Computing kpt #: 172 total cpu time spent up to now is 1008.4 secs Computing kpt #: 173 total cpu time spent up to now is 1012.7 secs Computing kpt #: 174 total cpu time spent up to now is 1016.9 secs Computing kpt #: 175 total cpu time spent up to now is 1021.1 secs Computing kpt #: 176 total cpu time spent up to now is 1025.6 secs Computing kpt #: 177 total cpu time spent up to now is 1030.1 secs Computing kpt #: 178 total cpu time spent up to now is 1034.6 secs Computing kpt #: 179 total cpu time spent up to now is 1039.2 secs Computing kpt #: 180 total cpu time spent up to now is 1043.9 secs Computing kpt #: 181 total cpu time spent up to now is 1048.9 secs Computing kpt #: 182 total cpu time spent up to now is 1053.6 secs Computing kpt #: 183 total cpu time spent up to now is 1058.5 secs Computing kpt #: 184 total cpu time spent up to now is 1063.3 secs Computing kpt #: 185 total cpu time spent up to now is 1068.0 secs Computing kpt #: 186 total cpu time spent up to now is 1072.7 secs Computing kpt #: 187 total cpu time spent up to now is 1077.4 secs Computing kpt #: 188 total cpu time spent up to now is 1082.1 secs Computing kpt #: 189 total cpu time spent up to now is 1086.7 secs Computing kpt #: 190 total cpu time spent up to now is 1091.4 secs Computing kpt #: 191 total cpu time spent up to now is 1095.4 secs Computing kpt #: 192 total cpu time spent up to now is 1099.5 secs Computing kpt #: 193 total cpu time spent up to now is 1103.6 secs Computing kpt #: 194 total cpu time spent up to now is 1107.8 secs Computing kpt #: 195 total cpu time spent up to now is 1111.8 secs Computing kpt #: 196 total cpu time spent up to now is 1115.8 secs Computing kpt #: 197 total cpu time spent up to now is 1119.8 secs Computing kpt #: 198 total cpu time spent up to now is 1123.9 secs Computing kpt #: 199 total cpu time spent up to now is 1127.9 secs Computing kpt #: 200 total cpu time spent up to now is 1132.0 secs Computing kpt #: 201 total cpu time spent up to now is 1136.2 secs Computing kpt #: 202 total cpu time spent up to now is 1140.3 secs Computing kpt #: 203 total cpu time spent up to now is 1144.7 secs Computing kpt #: 204 total cpu time spent up to now is 1149.1 secs Computing kpt #: 205 total cpu time spent up to now is 1153.4 secs Computing kpt #: 206 total cpu time spent up to now is 1157.8 secs Computing kpt #: 207 total cpu time spent up to now is 1162.2 secs Computing kpt #: 208 total cpu time spent up to now is 1166.7 secs Computing kpt #: 209 total cpu time spent up to now is 1171.2 secs Computing kpt #: 210 total cpu time spent up to now is 1175.5 secs Computing kpt #: 211 total cpu time spent up to now is 1179.8 secs Computing kpt #: 212 total cpu time spent up to now is 1184.1 secs Computing kpt #: 213 total cpu time spent up to now is 1188.4 secs Computing kpt #: 214 total cpu time spent up to now is 1192.6 secs Computing kpt #: 215 total cpu time spent up to now is 1196.8 secs Computing kpt #: 216 total cpu time spent up to now is 1201.6 secs Computing kpt #: 217 total cpu time spent up to now is 1206.0 secs Computing kpt #: 218 total cpu time spent up to now is 1210.1 secs Computing kpt #: 219 total cpu time spent up to now is 1214.1 secs ethr = 1.43E-11, avg # of iterations = 43.3 total cpu time spent up to now is 1214.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1255 -7.1255 -6.1153 -6.1153 -6.0291 -6.0291 -6.0291 -6.0291 1.0239 1.0239 1.0239 1.0239 1.4120 1.4120 2.7336 2.7336 2.7819 2.7819 2.7819 2.7819 3.3061 3.3061 3.4143 3.4143 3.4143 3.4143 3.7758 3.7758 3.7905 3.7905 3.7905 3.7905 3.8396 3.8396 3.8396 3.8396 4.4155 4.4155 4.5353 4.5353 4.5353 4.5353 4.6539 4.6539 4.6959 4.6959 4.6959 4.6959 4.9669 4.9669 5.0992 5.0992 5.1840 5.1840 5.1840 5.1840 6.2695 6.2695 6.2695 6.2695 6.3035 6.3035 8.3691 8.3691 8.4749 8.4749 8.4749 8.4749 8.5409 8.5409 8.6843 8.6843 8.6843 8.6843 11.8731 11.8731 k = 0.0000 0.0179-0.0000 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1248 -7.1248 -6.1156 -6.1156 -6.0297 -6.0297 -6.0291 -6.0291 1.0241 1.0241 1.0258 1.0258 1.4130 1.4130 2.7332 2.7332 2.7809 2.7809 2.7823 2.7823 3.3054 3.3054 3.4120 3.4120 3.4149 3.4149 3.7680 3.7680 3.7849 3.7849 3.7985 3.7985 3.8365 3.8365 3.8482 3.8482 4.4148 4.4148 4.5296 4.5296 4.5402 4.5402 4.6536 4.6536 4.6937 4.6937 4.6983 4.6983 4.9671 4.9671 5.0991 5.0991 5.1803 5.1803 5.1870 5.1870 6.2668 6.2668 6.2689 6.2689 6.3020 6.3020 8.3671 8.3671 8.4613 8.4613 8.4771 8.4771 8.5597 8.5597 8.6805 8.6805 8.6942 8.6942 11.8748 11.8748 k = 0.0000 0.0357-0.0000 ( 6467 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7030 -25.7030 -25.7030 -25.7030 -7.1228 -7.1228 -6.1164 -6.1164 -6.0314 -6.0314 -6.0291 -6.0291 1.0262 1.0262 1.0302 1.0302 1.4161 1.4161 2.7318 2.7318 2.7784 2.7784 2.7832 2.7832 3.3031 3.3031 3.4075 3.4075 3.4143 3.4143 3.7503 3.7503 3.7836 3.7836 3.8033 3.8033 3.8367 3.8367 3.8620 3.8620 4.4128 4.4128 4.5233 4.5233 4.5438 4.5438 4.6528 4.6528 4.6917 4.6917 4.7009 4.7009 4.9679 4.9679 5.0987 5.0987 5.1758 5.1758 5.1892 5.1892 6.2586 6.2586 6.2671 6.2671 6.2980 6.2980 8.3593 8.3593 8.4450 8.4450 8.4802 8.4802 8.5948 8.5948 8.6814 8.6814 8.7133 8.7133 11.8799 11.8799 k = 0.0000 0.0536-0.0000 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7030 -25.7030 -7.1195 -7.1195 -6.1179 -6.1179 -6.0341 -6.0341 -6.0291 -6.0291 1.0298 1.0298 1.0373 1.0373 1.4214 1.4214 2.7288 2.7288 2.7749 2.7749 2.7847 2.7847 3.2992 3.2992 3.4009 3.4009 3.4128 3.4128 3.7289 3.7289 3.7829 3.7829 3.8059 3.8059 3.8390 3.8390 3.8788 3.8788 4.4095 4.4095 4.5167 4.5167 4.5458 4.5458 4.6517 4.6517 4.6900 4.6900 4.7034 4.7034 4.9691 4.9691 5.0980 5.0980 5.1706 5.1706 5.1908 5.1908 6.2441 6.2441 6.2641 6.2641 6.2924 6.2924 8.3439 8.3439 8.4396 8.4396 8.4852 8.4852 8.6285 8.6285 8.6867 8.6867 8.7463 8.7463 11.8880 11.8880 k = 0.0000 0.0714-0.0000 ( 6479 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7030 -25.7030 -7.1148 -7.1148 -6.1201 -6.1201 -6.0377 -6.0377 -6.0291 -6.0291 1.0350 1.0350 1.0471 1.0471 1.4287 1.4287 2.7232 2.7232 2.7716 2.7716 2.7870 2.7870 3.2933 3.2933 3.3925 3.3925 3.4107 3.4107 3.7053 3.7053 3.7824 3.7824 3.8076 3.8076 3.8424 3.8424 3.8972 3.8972 4.4050 4.4050 4.5101 4.5101 4.5460 4.5460 4.6505 4.6505 4.6885 4.6885 4.7061 4.7061 4.9708 4.9708 5.0970 5.0970 5.1648 5.1648 5.1920 5.1920 6.2233 6.2233 6.2601 6.2601 6.2859 6.2859 8.3234 8.3234 8.4448 8.4448 8.4920 8.4920 8.6546 8.6546 8.6970 8.6970 8.7960 8.7960 11.8988 11.8988 k = 0.0000 0.0893-0.0000 ( 6491 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7030 -25.7030 -7.1089 -7.1089 -6.1232 -6.1232 -6.0420 -6.0420 -6.0291 -6.0291 1.0417 1.0417 1.0597 1.0597 1.4381 1.4381 2.7140 2.7140 2.7694 2.7694 2.7898 2.7898 3.2848 3.2848 3.3829 3.3829 3.4079 3.4079 3.6797 3.6797 3.7818 3.7818 3.8092 3.8092 3.8467 3.8467 3.9162 3.9162 4.3992 4.3992 4.5037 4.5037 4.5442 4.5442 4.6494 4.6494 4.6873 4.6873 4.7087 4.7087 4.9729 4.9729 5.0956 5.0956 5.1584 5.1584 5.1928 5.1928 6.1967 6.1967 6.2550 6.2550 6.2788 6.2788 8.3018 8.3018 8.4570 8.4570 8.5001 8.5001 8.6737 8.6737 8.7127 8.7127 8.8594 8.8594 11.9103 11.9103 k = 0.0000 0.1071-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7030 -25.7030 -7.1017 -7.1017 -6.1275 -6.1275 -6.0467 -6.0467 -6.0291 -6.0291 1.0497 1.0497 1.0749 1.0749 1.4496 1.4496 2.7009 2.7009 2.7689 2.7689 2.7933 2.7933 3.2733 3.2733 3.3730 3.3730 3.4045 3.4045 3.6523 3.6523 3.7812 3.7812 3.8108 3.8108 3.8515 3.8515 3.9358 3.9358 4.3923 4.3923 4.4976 4.4976 4.5404 4.5404 4.6484 4.6484 4.6862 4.6862 4.7113 4.7113 4.9753 4.9753 5.0937 5.0937 5.1518 5.1518 5.1933 5.1933 6.1654 6.1654 6.2491 6.2491 6.2708 6.2708 8.2810 8.2810 8.4740 8.4740 8.5094 8.5094 8.6895 8.6895 8.7332 8.7332 8.9327 8.9327 11.9081 11.9081 k = 0.0000 0.1250-0.0000 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7030 -25.7030 -7.0932 -7.0932 -6.1332 -6.1332 -6.0516 -6.0516 -6.0291 -6.0291 1.0592 1.0592 1.0927 1.0927 1.4632 1.4632 2.6839 2.6839 2.7699 2.7699 2.7972 2.7972 3.2584 3.2584 3.3634 3.3634 3.4004 3.4004 3.6230 3.6230 3.7806 3.7806 3.8126 3.8126 3.8566 3.8566 3.9557 3.9557 4.3843 4.3843 4.4918 4.4918 4.5348 4.5348 4.6475 4.6475 4.6851 4.6851 4.7137 4.7137 4.9781 4.9781 5.0914 5.0914 5.1450 5.1450 5.1938 5.1938 6.1301 6.1301 6.2424 6.2424 6.2621 6.2621 8.2617 8.2617 8.4946 8.4946 8.5195 8.5195 8.7049 8.7049 8.7572 8.7572 9.0135 9.0135 11.8912 11.8912 k = 0.0000 0.1429-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7033 -25.7033 -25.7031 -25.7031 -7.0835 -7.0835 -6.1405 -6.1405 -6.0563 -6.0563 -6.0291 -6.0291 1.0699 1.0699 1.1130 1.1130 1.4789 1.4789 2.6635 2.6635 2.7721 2.7721 2.8018 2.8018 3.2397 3.2397 3.3548 3.3548 3.3957 3.3957 3.5918 3.5918 3.7799 3.7799 3.8147 3.8147 3.8619 3.8619 3.9758 3.9758 4.3755 4.3755 4.4864 4.4864 4.5275 4.5275 4.6465 4.6465 4.6839 4.6839 4.7159 4.7159 4.9812 4.9812 5.0887 5.0887 5.1382 5.1382 5.1942 5.1942 6.0917 6.0917 6.2350 6.2350 6.2525 6.2525 8.2441 8.2441 8.5180 8.5180 8.5301 8.5301 8.7211 8.7211 8.7839 8.7839 9.1002 9.1002 11.8714 11.8714 k = 0.0000 0.1607-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7033 -25.7033 -25.7031 -25.7031 -7.0726 -7.0726 -6.1496 -6.1496 -6.0605 -6.0605 -6.0291 -6.0291 1.0818 1.0818 1.1358 1.1358 1.4966 1.4966 2.6402 2.6402 2.7751 2.7751 2.8066 2.8066 3.2176 3.2176 3.3472 3.3472 3.3903 3.3903 3.5587 3.5587 3.7791 3.7791 3.8170 3.8170 3.8674 3.8674 3.9963 3.9963 4.3663 4.3663 4.4811 4.4811 4.5191 4.5191 4.6454 4.6454 4.6824 4.6824 4.7179 4.7179 4.9846 4.9846 5.0857 5.0857 5.1316 5.1316 5.1947 5.1947 6.0511 6.0511 6.2270 6.2270 6.2422 6.2422 8.2281 8.2281 8.5407 8.5407 8.5439 8.5439 8.7387 8.7387 8.8127 8.8127 9.1917 9.1917 11.8505 11.8505 k = 0.0000 0.1786-0.0000 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7034 -25.7034 -25.7031 -25.7031 -7.0606 -7.0606 -6.1606 -6.1606 -6.0642 -6.0642 -6.0291 -6.0291 1.0949 1.0949 1.1609 1.1609 1.5164 1.5164 2.6142 2.6142 2.7788 2.7788 2.8120 2.8120 3.1925 3.1925 3.3405 3.3405 3.3839 3.3839 3.5240 3.5240 3.7784 3.7784 3.8196 3.8196 3.8728 3.8728 4.0170 4.0170 4.3566 4.3566 4.4759 4.4759 4.5099 4.5099 4.6440 4.6440 4.6802 4.6802 4.7194 4.7194 4.9885 4.9885 5.0826 5.0826 5.1254 5.1254 5.1954 5.1954 6.0089 6.0089 6.2186 6.2186 6.2313 6.2313 8.2136 8.2136 8.5516 8.5516 8.5711 8.5711 8.7578 8.7578 8.8431 8.8431 9.2873 9.2873 11.8292 11.8292 k = 0.0000 0.1964-0.0000 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7035 -25.7035 -25.7030 -25.7030 -7.0475 -7.0475 -6.1735 -6.1735 -6.0673 -6.0673 -6.0291 -6.0291 1.1090 1.1090 1.1883 1.1883 1.5382 1.5382 2.5859 2.5859 2.7830 2.7830 2.8177 2.8177 3.1648 3.1648 3.3346 3.3346 3.3761 3.3761 3.4881 3.4881 3.7776 3.7776 3.8225 3.8225 3.8781 3.8781 4.0380 4.0380 4.3470 4.3470 4.4707 4.4707 4.5002 4.5002 4.6423 4.6423 4.6773 4.6773 4.7203 4.7203 4.9928 4.9928 5.0796 5.0796 5.1196 5.1196 5.1962 5.1962 5.9659 5.9659 6.2100 6.2100 6.2200 6.2200 8.2003 8.2003 8.5622 8.5622 8.5997 8.5997 8.7782 8.7782 8.8748 8.8748 9.3862 9.3862 11.8079 11.8079 k = 0.0000 0.2143-0.0000 ( 6491 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7036 -25.7036 -25.7031 -25.7031 -7.0334 -7.0334 -6.1881 -6.1881 -6.0698 -6.0698 -6.0291 -6.0291 1.1240 1.1240 1.2177 1.2177 1.5620 1.5620 2.5554 2.5554 2.7875 2.7875 2.8236 2.8236 3.1351 3.1351 3.3293 3.3293 3.3656 3.3656 3.4524 3.4524 3.7768 3.7768 3.8256 3.8256 3.8832 3.8832 4.0592 4.0592 4.3375 4.3375 4.4653 4.4653 4.4903 4.4903 4.6403 4.6403 4.6735 4.6735 4.7206 4.7206 4.9976 4.9976 5.0770 5.0770 5.1144 5.1144 5.1971 5.1971 5.9225 5.9225 6.2012 6.2012 6.2083 6.2083 8.1883 8.1883 8.5725 8.5725 8.6292 8.6292 8.7996 8.7996 8.9073 8.9073 9.4878 9.4878 11.7871 11.7871 k = 0.0000 0.2321-0.0000 ( 6491 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7036 -25.7036 -25.7031 -25.7031 -7.0183 -7.0183 -6.2042 -6.2042 -6.0718 -6.0718 -6.0291 -6.0291 1.1398 1.1398 1.2492 1.2492 1.5877 1.5877 2.5229 2.5229 2.7923 2.7923 2.8298 2.8298 3.1040 3.1040 3.3243 3.3243 3.3494 3.3494 3.4202 3.4202 3.7759 3.7759 3.8289 3.8289 3.8882 3.8882 4.0806 4.0806 4.3282 4.3282 4.4595 4.4595 4.4807 4.4807 4.6379 4.6379 4.6687 4.6687 4.7199 4.7199 5.0030 5.0030 5.0751 5.0751 5.1098 5.1098 5.1982 5.1982 5.8792 5.8792 6.1923 6.1923 6.1964 6.1964 8.1773 8.1773 8.5826 8.5826 8.6590 8.6590 8.8217 8.8217 8.9401 8.9401 9.5913 9.5913 11.7672 11.7672 k = 0.0000 0.2500-0.0000 ( 6479 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7037 -25.7037 -25.7031 -25.7031 -7.0023 -7.0023 -6.2217 -6.2217 -6.0734 -6.0734 -6.0291 -6.0291 1.1563 1.1563 1.2824 1.2824 1.6153 1.6153 2.4888 2.4888 2.7974 2.7974 2.8362 2.8362 3.0718 3.0718 3.3165 3.3165 3.3259 3.3259 3.3964 3.3964 3.7750 3.7750 3.8324 3.8324 3.8929 3.8929 4.1021 4.1021 4.3194 4.3194 4.4533 4.4533 4.4716 4.4716 4.6352 4.6352 4.6629 4.6629 4.7182 4.7182 5.0088 5.0088 5.0741 5.0741 5.1059 5.1059 5.1995 5.1995 5.8366 5.8366 6.1834 6.1834 6.1847 6.1847 8.1673 8.1673 8.5923 8.5923 8.6888 8.6888 8.8442 8.8442 8.9729 8.9729 9.6961 9.6961 11.7484 11.7484 k = 0.0000 0.2679-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7038 -25.7038 -25.7031 -25.7031 -6.9856 -6.9856 -6.2402 -6.2402 -6.0746 -6.0746 -6.0291 -6.0291 1.1733 1.1733 1.3174 1.3174 1.6447 1.6447 2.4531 2.4531 2.8025 2.8025 2.8425 2.8425 3.0392 3.0392 3.2833 3.2833 3.3175 3.3175 3.3812 3.3812 3.7741 3.7741 3.8361 3.8361 3.8973 3.8973 4.1237 4.1237 4.3112 4.3112 4.4464 4.4464 4.4632 4.4632 4.6321 4.6321 4.6564 4.6564 4.7152 4.7152 5.0150 5.0150 5.0740 5.0740 5.1027 5.1027 5.2009 5.2009 5.7948 5.7948 6.1725 6.1725 6.1752 6.1752 8.1581 8.1581 8.6016 8.6016 8.7182 8.7182 8.8666 8.8666 9.0051 9.0051 9.8014 9.8014 11.7309 11.7309 k = 0.0000 0.2857-0.0000 ( 6467 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7038 -25.7038 -25.7030 -25.7030 -6.9681 -6.9681 -6.2597 -6.2597 -6.0756 -6.0756 -6.0291 -6.0291 1.1906 1.1906 1.3538 1.3538 1.6756 1.6756 2.4161 2.4161 2.8076 2.8076 2.8489 2.8489 3.0064 3.0064 3.2397 3.2397 3.3137 3.3137 3.3708 3.3708 3.7733 3.7733 3.8399 3.8399 3.9015 3.9015 4.1453 4.1453 4.3035 4.3035 4.4390 4.4390 4.4557 4.4557 4.6285 4.6285 4.6496 4.6496 4.7111 4.7111 5.0214 5.0214 5.0751 5.0751 5.1005 5.1005 5.2024 5.2024 5.7542 5.7542 6.1610 6.1610 6.1669 6.1669 8.1498 8.1498 8.6106 8.6106 8.7468 8.7468 8.8887 8.8887 9.0366 9.0366 9.9066 9.9066 11.7149 11.7149 k = 0.0000 0.3036-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7039 -25.7039 -25.7031 -25.7031 -6.9501 -6.9501 -6.2799 -6.2799 -6.0763 -6.0763 -6.0291 -6.0291 1.2079 1.2079 1.3916 1.3916 1.7080 1.7080 2.3780 2.3780 2.8127 2.8127 2.8552 2.8552 2.9740 2.9740 3.1924 3.1924 3.3103 3.3103 3.3624 3.3624 3.7724 3.7724 3.8438 3.8438 3.9053 3.9053 4.1668 4.1668 4.2965 4.2965 4.4312 4.4312 4.4489 4.4489 4.6239 4.6239 4.6429 4.6429 4.7056 4.7056 5.0276 5.0276 5.0767 5.0767 5.0997 5.0997 5.2040 5.2040 5.7151 5.7151 6.1497 6.1497 6.1589 6.1589 8.1423 8.1423 8.6191 8.6191 8.7742 8.7742 8.9099 8.9099 9.0667 9.0667 10.0108 10.0108 11.7005 11.7005 k = 0.0000 0.3214-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7040 -25.7040 -25.7031 -25.7031 -6.9317 -6.9317 -6.3005 -6.3005 -6.0769 -6.0769 -6.0291 -6.0291 1.2252 1.2252 1.4305 1.4305 1.7414 1.7414 2.3391 2.3391 2.8176 2.8176 2.8613 2.8613 2.9424 2.9424 3.1433 3.1433 3.3075 3.3075 3.3552 3.3552 3.7715 3.7715 3.8477 3.8477 3.9088 3.9088 4.1882 4.1882 4.2901 4.2901 4.4233 4.4233 4.4427 4.4427 4.6180 4.6180 4.6371 4.6371 4.6989 4.6989 5.0335 5.0335 5.0783 5.0783 5.1013 5.1013 5.2058 5.2058 5.6775 5.6775 6.1389 6.1389 6.1514 6.1514 8.1354 8.1354 8.6272 8.6272 8.8003 8.8003 8.9301 8.9301 9.0953 9.0953 10.1133 10.1133 11.6874 11.6874 k = 0.0000 0.3393-0.0000 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7040 -25.7040 -25.7031 -25.7031 -6.9130 -6.9130 -6.3214 -6.3214 -6.0774 -6.0774 -6.0291 -6.0291 1.2420 1.2420 1.4704 1.4704 1.7754 1.7754 2.2997 2.2997 2.8223 2.8223 2.8671 2.8671 2.9121 2.9121 3.0934 3.0934 3.3050 3.3050 3.3486 3.3486 3.7707 3.7707 3.8515 3.8515 3.9120 3.9120 4.2092 4.2092 4.2844 4.2844 4.4156 4.4156 4.4370 4.4370 4.6108 4.6108 4.6326 4.6326 4.6911 4.6911 5.0389 5.0389 5.0791 5.0791 5.1057 5.1057 5.2077 5.2077 5.6418 5.6418 6.1287 6.1287 6.1443 6.1443 8.1293 8.1293 8.6349 8.6349 8.8246 8.8246 8.9490 8.9490 9.1220 9.1220 10.2130 10.2130 11.6755 11.6755 k = 0.0000 0.3571-0.0000 ( 6491 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7041 -25.7041 -25.7031 -25.7031 -6.8943 -6.8943 -6.3421 -6.3421 -6.0777 -6.0777 -6.0291 -6.0291 1.2582 1.2582 1.5112 1.5112 1.8094 1.8094 2.2602 2.2602 2.8267 2.8267 2.8718 2.8718 2.8842 2.8842 3.0434 3.0434 3.3030 3.3030 3.3424 3.3424 3.7699 3.7699 3.8552 3.8552 3.9148 3.9148 4.2296 4.2296 4.2795 4.2795 4.4083 4.4083 4.4317 4.4317 4.6027 4.6027 4.6292 4.6292 4.6825 4.6825 5.0438 5.0438 5.0789 5.0789 5.1126 5.1126 5.2100 5.2100 5.6081 5.6081 6.1193 6.1193 6.1379 6.1379 8.1238 8.1238 8.6419 8.6419 8.8471 8.8471 8.9664 8.9664 9.1466 9.1466 10.3089 10.3089 11.6646 11.6646 k = 0.0000 0.3750-0.0000 ( 6483 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7042 -25.7042 -25.7031 -25.7031 -6.8760 -6.8760 -6.3625 -6.3625 -6.0780 -6.0780 -6.0291 -6.0291 1.2735 1.2735 1.5525 1.5525 1.8424 1.8424 2.2213 2.2213 2.8303 2.8303 2.8564 2.8564 2.8787 2.8787 2.9943 2.9943 3.3014 3.3014 3.3367 3.3367 3.7692 3.7692 3.8588 3.8588 3.9172 3.9172 4.2493 4.2493 4.2754 4.2754 4.4013 4.4013 4.4270 4.4270 4.5943 4.5943 4.6265 4.6265 4.6732 4.6732 5.0482 5.0482 5.0782 5.0782 5.1213 5.1213 5.2125 5.2125 5.5765 5.5765 6.1107 6.1107 6.1321 6.1321 8.1190 8.1190 8.6484 8.6484 8.8674 8.8674 8.9820 8.9820 9.1687 9.1687 10.3998 10.3998 11.6543 11.6543 k = 0.0000 0.3929-0.0000 ( 6479 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7042 -25.7042 -25.7031 -25.7031 -6.8582 -6.8582 -6.3820 -6.3820 -6.0782 -6.0782 -6.0291 -6.0291 1.2875 1.2875 1.5944 1.5944 1.8730 1.8730 2.1839 2.1839 2.8278 2.8278 2.8387 2.8387 2.8830 2.8830 2.9471 2.9471 3.3003 3.3003 3.3313 3.3313 3.7685 3.7685 3.8621 3.8621 3.9194 3.9194 4.2659 4.2659 4.2741 4.2741 4.3948 4.3948 4.4229 4.4229 4.5861 4.5861 4.6243 4.6243 4.6637 4.6637 5.0522 5.0522 5.0772 5.0772 5.1306 5.1306 5.2156 5.2156 5.5473 5.5473 6.1030 6.1030 6.1270 6.1270 8.1149 8.1149 8.6542 8.6542 8.8853 8.8853 8.9958 8.9958 9.1884 9.1884 10.4844 10.4844 11.6442 11.6442 k = 0.0000 0.4107-0.0000 ( 6479 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7042 -25.7042 -25.7031 -25.7031 -6.8415 -6.8415 -6.4003 -6.4003 -6.0784 -6.0784 -6.0291 -6.0291 1.3000 1.3000 1.6364 1.6364 1.8988 1.8988 2.1495 2.1495 2.8093 2.8093 2.8393 2.8393 2.8865 2.8865 2.9032 2.9032 3.2997 3.2997 3.3265 3.3265 3.7679 3.7679 3.8651 3.8651 3.9211 3.9211 4.2672 4.2672 4.2874 4.2874 4.3885 4.3885 4.4196 4.4196 4.5784 4.5784 4.6226 4.6226 4.6543 4.6543 5.0558 5.0558 5.0761 5.0761 5.1399 5.1399 5.2191 5.2191 5.5208 5.5208 6.0963 6.0963 6.1226 6.1226 8.1113 8.1113 8.6593 8.6593 8.9008 8.9008 9.0076 9.0076 9.2052 9.2052 10.5611 10.5611 11.6342 11.6342 k = 0.0000 0.4286-0.0000 ( 6467 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7042 -25.7042 -25.7031 -25.7031 -6.8264 -6.8264 -6.4167 -6.4167 -6.0785 -6.0785 -6.0291 -6.0291 1.3108 1.3108 1.6783 1.6783 1.9159 1.9159 2.1212 2.1212 2.7917 2.7917 2.8412 2.8412 2.8630 2.8630 2.8908 2.8908 3.2996 3.2996 3.3220 3.3220 3.7674 3.7674 3.8677 3.8677 3.9226 3.9226 4.2651 4.2651 4.3032 4.3032 4.3826 4.3826 4.4172 4.4172 4.5716 4.5716 4.6214 4.6214 4.6455 4.6455 5.0590 5.0590 5.0749 5.0749 5.1482 5.1482 5.2232 5.2232 5.4975 5.4975 6.0908 6.0908 6.1189 6.1189 8.1085 8.1085 8.6635 8.6635 8.9136 8.9136 9.0173 9.0173 9.2191 9.2191 10.6281 10.6281 11.6243 11.6243 k = 0.0000 0.4464-0.0000 ( 6460 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7043 -25.7043 -25.7031 -25.7031 -6.8136 -6.8136 -6.4306 -6.4306 -6.0786 -6.0786 -6.0291 -6.0291 1.3194 1.3194 1.7198 1.7198 1.9198 1.9198 2.1025 2.1025 2.7775 2.7775 2.8274 2.8274 2.8451 2.8451 2.8933 2.8933 3.2999 3.2999 3.3181 3.3181 3.7670 3.7670 3.8698 3.8698 3.9237 3.9237 4.2633 4.2633 4.3173 4.3173 4.3769 4.3769 4.4155 4.4155 4.5658 4.5658 4.6203 4.6203 4.6379 4.6379 5.0619 5.0619 5.0737 5.0737 5.1550 5.1550 5.2277 5.2277 5.4779 5.4779 6.0864 6.0864 6.1161 6.1161 8.1062 8.1062 8.6668 8.6668 8.9237 8.9237 9.0249 9.0249 9.2301 9.2301 10.6836 10.6836 11.6149 11.6149 k = 0.0000 0.4643-0.0000 ( 6460 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7043 -25.7043 -25.7031 -25.7031 -6.8037 -6.8037 -6.4413 -6.4413 -6.0787 -6.0787 -6.0291 -6.0291 1.3258 1.3258 1.7599 1.7599 1.9084 1.9084 2.0946 2.0946 2.7673 2.7673 2.8017 2.8017 2.8460 2.8460 2.8953 2.8953 3.3005 3.3005 3.3149 3.3149 3.7667 3.7667 3.8714 3.8714 3.9245 3.9245 4.2620 4.2620 4.3291 4.3291 4.3715 4.3715 4.4146 4.4146 4.5614 4.5614 4.6197 4.6197 4.6319 4.6319 5.0645 5.0645 5.0723 5.0723 5.1600 5.1600 5.2319 5.2319 5.4629 5.4629 6.0832 6.0832 6.1140 6.1140 8.1046 8.1046 8.6693 8.6693 8.9310 8.9310 9.0303 9.0303 9.2380 9.2380 10.7252 10.7252 11.6069 11.6069 k = 0.0000 0.4821-0.0000 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7974 -6.7974 -6.4481 -6.4481 -6.0787 -6.0787 -6.0291 -6.0291 1.3296 1.3296 1.7962 1.7962 1.8864 1.8864 2.0935 2.0935 2.7613 2.7613 2.7849 2.7849 2.8469 2.8469 2.8965 2.8965 3.3012 3.3012 3.3126 3.3126 3.7665 3.7665 3.8723 3.8723 3.9249 3.9249 4.2612 4.2612 4.3378 4.3378 4.3667 4.3667 4.4142 4.4142 4.5585 4.5585 4.6192 4.6192 4.6281 4.6281 5.0667 5.0667 5.0708 5.0708 5.1630 5.1630 5.2350 5.2350 5.4534 5.4534 6.0813 6.0813 6.1127 6.1127 8.1036 8.1036 8.6707 8.6707 8.9354 8.9354 9.0336 9.0336 9.2427 9.2427 10.7512 10.7512 11.6015 11.6015 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7952 -6.7952 -6.4504 -6.4504 -6.0787 -6.0787 -6.0291 -6.0291 1.3309 1.3309 1.8163 1.8163 1.8707 1.8707 2.0939 2.0939 2.7594 2.7594 2.7790 2.7790 2.8472 2.8472 2.8969 2.8969 3.3015 3.3015 3.3117 3.3117 3.7665 3.7665 3.8726 3.8726 3.9250 3.9250 4.2609 4.2609 4.3413 4.3413 4.3645 4.3645 4.4140 4.4140 4.5575 4.5575 4.6191 4.6191 4.6268 4.6268 5.0680 5.0680 5.0697 5.0697 5.1640 5.1640 5.2361 5.2361 5.4501 5.4501 6.0807 6.0807 6.1123 6.1123 8.1033 8.1033 8.6712 8.6712 8.9369 8.9369 9.0346 9.0346 9.2443 9.2443 10.7601 10.7601 11.5995 11.5995 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7952 -6.7952 -6.4504 -6.4504 -6.0787 -6.0787 -6.0291 -6.0291 1.3309 1.3309 1.8163 1.8163 1.8707 1.8707 2.0939 2.0939 2.7594 2.7594 2.7790 2.7790 2.8472 2.8472 2.8969 2.8969 3.3015 3.3015 3.3117 3.3117 3.7665 3.7665 3.8726 3.8726 3.9250 3.9250 4.2609 4.2609 4.3413 4.3413 4.3645 4.3645 4.4140 4.4140 4.5575 4.5575 4.6191 4.6191 4.6268 4.6268 5.0680 5.0680 5.0697 5.0697 5.1640 5.1640 5.2361 5.2361 5.4501 5.4501 6.0807 6.0807 6.1123 6.1123 8.1033 8.1033 8.6712 8.6712 8.9369 8.9369 9.0346 9.0346 9.2443 9.2443 10.7601 10.7601 11.5995 11.5995 k = 0.0179 0.5000-0.0000 ( 6470 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7947 -6.7947 -6.4512 -6.4490 -6.0804 -6.0778 -6.0295 -6.0295 1.3303 1.3331 1.8162 1.8163 1.8698 1.8712 2.0919 2.0961 2.7565 2.7618 2.7760 2.7822 2.8467 2.8475 2.8965 2.8970 3.3006 3.3013 3.3114 3.3117 3.7605 3.7695 3.8676 3.8724 3.9254 3.9282 4.2596 4.2612 4.3373 4.3441 4.3572 4.3705 4.4092 4.4237 4.5547 4.5587 4.6119 4.6237 4.6308 4.6316 5.0503 5.0686 5.0690 5.0799 5.1599 5.1712 5.2338 5.2421 5.4467 5.4555 6.0788 6.0802 6.1106 6.1119 8.0996 8.1107 8.6680 8.6780 8.9249 8.9479 9.0280 9.0380 9.2331 9.2583 10.7587 10.7647 11.6021 11.6023 k = 0.0357 0.5000-0.0000 ( 6466 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7931 -6.7931 -6.4514 -6.4471 -6.0829 -6.0777 -6.0308 -6.0307 1.3312 1.3368 1.8162 1.8163 1.8686 1.8712 2.0902 2.0987 2.7528 2.7640 2.7738 2.7852 2.8460 2.8475 2.8960 2.8968 3.2983 3.3002 3.3102 3.3115 3.7518 3.7695 3.8583 3.8672 3.9290 3.9339 4.2574 4.2605 4.3322 4.3440 4.3521 4.3735 4.4101 4.4365 4.5496 4.5603 4.6087 4.6217 4.6393 4.6463 5.0291 5.0659 5.0678 5.0822 5.1615 5.1778 5.2361 5.2513 5.4450 5.4628 6.0748 6.0774 6.1069 6.1093 8.0997 8.1217 8.6681 8.6883 8.9128 8.9565 9.0194 9.0377 9.2248 9.2749 10.7606 10.7725 11.6101 11.6105 k = 0.0536 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7906 -6.7904 -6.4511 -6.4447 -6.0861 -6.0784 -6.0327 -6.0327 1.3337 1.3421 1.8161 1.8163 1.8669 1.8709 2.0888 2.1015 2.7479 2.7662 2.7727 2.7880 2.8452 2.8472 2.8952 2.8965 3.2943 3.2983 3.3082 3.3113 3.7404 3.7665 3.8460 3.8582 3.9345 3.9412 4.2545 4.2587 4.3268 4.3394 4.3524 4.3741 4.4146 4.4505 4.5431 4.5638 4.6077 4.6202 4.6504 4.6646 5.0066 5.0589 5.0661 5.0786 5.1654 5.1821 5.2449 5.2637 5.4452 5.4719 6.0686 6.0725 6.1013 6.1047 8.1034 8.1363 8.6712 8.7019 8.9013 8.9604 9.0112 9.0339 9.2195 9.2936 10.7657 10.7834 11.6234 11.6238 k = 0.0714 0.5000-0.0000 ( 6462 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7869 -6.7868 -6.4503 -6.4417 -6.0901 -6.0800 -6.0355 -6.0354 1.3375 1.3487 1.8160 1.8163 1.8650 1.8702 2.0878 2.1048 2.7419 2.7685 2.7727 2.7903 2.8442 2.8466 2.8945 2.8960 3.2886 3.2956 3.3055 3.3111 3.7267 3.7609 3.8315 3.8461 3.9412 3.9492 4.2514 4.2561 4.3218 4.3344 4.3545 4.3740 4.4197 4.4644 4.5370 4.5697 4.6077 4.6195 4.6645 4.6851 4.9838 5.0464 5.0640 5.0747 5.1669 5.1835 5.2610 5.2785 5.4474 5.4828 6.0604 6.0657 6.0939 6.0982 8.1107 8.1544 8.6766 8.7185 8.8912 8.9566 9.0067 9.0272 9.2170 9.3138 10.7740 10.7973 11.6418 11.6419 k = 0.0893 0.5000-0.0000 ( 6458 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7823 -6.7821 -6.4488 -6.4382 -6.0948 -6.0825 -6.0391 -6.0388 1.3428 1.3567 1.8157 1.8162 1.8628 1.8692 2.0872 2.1084 2.7350 2.7706 2.7735 2.7924 2.8431 2.8456 2.8939 2.8954 3.2815 3.2915 3.3026 3.3109 3.7110 3.7528 3.8155 3.8315 3.9485 3.9576 4.2484 4.2527 4.3180 4.3304 4.3573 4.3741 4.4239 4.4761 4.5329 4.5770 4.6089 4.6202 4.6810 4.7072 4.9612 5.0301 5.0616 5.0713 5.1651 5.1824 5.2818 5.2947 5.4519 5.4953 6.0506 6.0572 6.0852 6.0901 8.1215 8.1758 8.6836 8.7375 8.8832 8.9452 9.0065 9.0184 9.2173 9.3351 10.7853 10.8141 11.6642 11.6650 k = 0.1071 0.5000-0.0000 ( 6454 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7767 -6.7764 -6.4469 -6.4342 -6.1002 -6.0859 -6.0435 -6.0427 1.3493 1.3659 1.8153 1.8160 1.8605 1.8679 2.0871 2.1125 2.7277 2.7725 2.7752 2.7943 2.8420 2.8443 2.8934 2.8948 3.2728 3.2856 3.2999 3.3106 3.6933 3.7426 3.7982 3.8147 3.9561 3.9661 4.2458 4.2490 4.3155 4.3276 4.3604 4.3743 4.4269 4.4835 4.5319 4.5833 4.6118 4.6241 4.6991 4.7306 4.9391 5.0121 5.0590 5.0679 5.1608 5.1791 5.3042 5.3114 5.4591 5.5093 6.0394 6.0473 6.0755 6.0809 8.1357 8.2004 8.6909 8.7581 8.8778 8.9295 9.0081 9.0086 9.2205 9.3568 10.7996 10.8336 11.6900 11.6927 k = 0.1250 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7043 -25.7043 -25.7032 -25.7032 -6.7701 -6.7698 -6.4444 -6.4297 -6.1064 -6.0903 -6.0486 -6.0472 1.3569 1.3762 1.8147 1.8158 1.8583 1.8663 2.0876 2.1172 2.7200 2.7736 2.7775 2.7965 2.8409 2.8426 2.8932 2.8943 3.2629 3.2780 3.2975 3.3102 3.6741 3.7307 3.7799 3.7958 3.9639 3.9745 4.2439 4.2453 4.3144 4.3258 4.3638 4.3747 4.4291 4.4859 4.5337 4.5860 4.6176 4.6328 4.7183 4.7549 4.9179 4.9936 5.0563 5.0641 5.1550 5.1740 5.3250 5.3278 5.4703 5.5245 6.0270 6.0361 6.0654 6.0711 8.1531 8.2280 8.6973 8.7789 8.8756 8.9123 8.9991 9.0104 9.2261 9.3786 10.8166 10.8556 11.7181 11.7242 k = 0.1429 0.5000-0.0000 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7032 -25.7032 -6.7625 -6.7622 -6.4415 -6.4247 -6.1132 -6.0957 -6.0544 -6.0522 1.3654 1.3873 1.8137 1.8153 1.8561 1.8646 2.0888 2.1226 2.7121 2.7738 2.7804 2.7993 2.8400 2.8407 2.8932 2.8940 3.2515 3.2687 3.2954 3.3096 3.6535 3.7172 3.7608 3.7753 3.9716 3.9827 4.2420 4.2428 4.3145 4.3249 4.3673 4.3753 4.4308 4.4848 4.5356 4.5852 4.6268 4.6450 4.7377 4.7796 4.8979 4.9752 5.0536 5.0598 5.1484 5.1674 5.3415 5.3428 5.4864 5.5407 6.0135 6.0235 6.0560 6.0617 8.1735 8.2583 8.7013 8.7977 8.8764 8.8960 8.9917 9.0138 9.2338 9.3999 10.8361 10.8797 11.7464 11.7586 k = 0.1607 0.5000-0.0000 ( 6458 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7033 -25.7033 -6.7541 -6.7537 -6.4380 -6.4193 -6.1207 -6.1021 -6.0608 -6.0575 1.3748 1.3992 1.8122 1.8147 1.8542 1.8628 2.0909 2.1288 2.7044 2.7729 2.7837 2.8027 2.8387 2.8393 2.8936 2.8938 3.2388 3.2578 3.2933 3.3089 3.6320 3.7024 3.7411 3.7533 3.9793 3.9905 4.2394 4.2425 4.3155 4.3250 4.3709 4.3760 4.4322 4.4822 4.5361 4.5822 4.6393 4.6587 4.7566 4.8040 4.8800 4.9577 5.0509 5.0551 5.1414 5.1595 5.3521 5.3558 5.5079 5.5576 5.9989 6.0094 6.0483 6.0538 8.1968 8.2909 8.7023 8.8100 8.8790 8.8842 8.9888 9.0194 9.2432 9.4206 10.8580 10.9059 11.7723 11.7942 k = 0.1786 0.5000-0.0000 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7033 -25.7033 -6.7448 -6.7443 -6.4340 -6.4135 -6.1290 -6.1095 -6.0678 -6.0632 1.3848 1.4115 1.8103 1.8139 1.8526 1.8608 2.0941 2.1360 2.6968 2.7710 2.7874 2.8066 2.8368 2.8390 2.8938 2.8942 3.2248 3.2454 3.2914 3.3080 3.6098 3.6864 3.7206 3.7302 3.9868 3.9979 4.2379 4.2431 4.3172 4.3260 4.3744 4.3769 4.4337 4.4791 4.5346 4.5778 4.6542 4.6720 4.7741 4.8256 4.8668 4.9420 5.0484 5.0501 5.1342 5.1507 5.3566 5.3659 5.5336 5.5748 5.9831 5.9937 6.0434 6.0487 8.2226 8.3256 8.7001 8.8102 8.8815 8.8816 8.9927 9.0289 9.2537 9.4402 10.8819 10.9337 11.7922 11.8274 k = 0.1964 0.5000-0.0000 ( 6474 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7034 -25.7034 -6.7346 -6.7342 -6.4296 -6.4073 -6.1379 -6.1180 -6.0754 -6.0693 1.3953 1.4240 1.8078 1.8129 1.8514 1.8588 2.0987 2.1444 2.6897 2.7683 2.7915 2.8108 2.8352 2.8393 2.8941 2.8950 3.2095 3.2315 3.2896 3.3071 3.5873 3.6696 3.6996 3.7062 3.9940 4.0047 4.2374 4.2444 4.3196 4.3278 4.3777 4.3779 4.4354 4.4761 4.5317 4.5727 4.6707 4.6835 4.7887 4.8342 4.8689 4.9295 5.0450 5.0461 5.1271 5.1410 5.3559 5.3725 5.5615 5.5920 5.9660 5.9767 6.0422 6.0475 8.2507 8.3618 8.6950 8.7993 8.8824 8.8859 9.0046 9.0437 9.2650 9.4586 10.9076 10.9628 11.8028 11.8520 k = 0.2143 0.5000-0.0000 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7034 -25.7034 -6.7237 -6.7232 -6.4247 -6.4007 -6.1474 -6.1273 -6.0834 -6.0756 1.4061 1.4365 1.8048 1.8115 1.8505 1.8566 2.1050 2.1542 2.6831 2.7650 2.7958 2.8150 2.8340 2.8404 2.8945 2.8961 3.1929 3.2161 3.2880 3.3061 3.5648 3.6519 3.6781 3.6815 4.0008 4.0109 4.2382 4.2464 4.3223 4.3304 4.3793 4.3809 4.4374 4.4734 4.5280 4.5672 4.6877 4.6916 4.7983 4.8293 4.8878 4.9218 5.0400 5.0440 5.1201 5.1309 5.3508 5.3751 5.5898 5.6086 5.9478 5.9586 6.0452 6.0510 8.2808 8.3991 8.6877 8.7837 8.8818 8.8915 9.0238 9.0639 9.2767 9.4755 10.9346 10.9929 11.8024 11.8606 k = 0.2321 0.5000-0.0000 ( 6448 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7034 -25.7034 -6.7121 -6.7115 -6.4195 -6.3938 -6.1575 -6.1375 -6.0918 -6.0823 1.4169 1.4488 1.8013 1.8098 1.8499 1.8544 2.1133 2.1656 2.6772 2.7612 2.8004 2.8189 2.8335 2.8424 2.8952 2.8973 3.1751 3.1993 3.2865 3.3050 3.5425 3.6336 3.6560 3.6563 4.0072 4.0165 4.2402 4.2492 4.3253 4.3336 4.3810 4.3837 4.4397 4.4711 4.5239 4.5614 4.6951 4.7049 4.8013 4.8254 4.9097 4.9204 5.0357 5.0423 5.1134 5.1207 5.3421 5.3734 5.6168 5.6243 5.9288 5.9397 6.0530 6.0596 8.3126 8.4366 8.6789 8.7673 8.8809 8.8956 9.0485 9.0888 9.2885 9.4907 10.9628 11.0236 11.7906 11.8507 k = 0.2500 0.5000-0.0000 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7034 -25.7034 -6.6998 -6.6992 -6.4138 -6.3866 -6.1683 -6.1484 -6.1005 -6.0892 1.4278 1.4607 1.7973 1.8077 1.8493 1.8521 2.1238 2.1787 2.6721 2.7571 2.8049 2.8224 2.8336 2.8455 2.8961 2.8985 3.1559 3.1810 3.2851 3.3039 3.5208 3.6147 3.6310 3.6335 4.0131 4.0215 4.2433 4.2526 4.3283 4.3372 4.3830 4.3860 4.4424 4.4692 4.5198 4.5554 4.6933 4.7215 4.7980 4.8261 4.9246 4.9310 5.0327 5.0406 5.1069 5.1109 5.3302 5.3673 5.6389 5.6414 5.9093 5.9205 6.0656 6.0732 8.3455 8.4734 8.6695 8.7524 8.8806 8.8980 9.0768 9.1167 9.3003 9.5041 10.9916 11.0546 11.7682 11.8254 k = 0.2679 0.5000-0.0000 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7046 -25.7045 -25.7035 -25.7035 -6.6869 -6.6863 -6.4079 -6.3792 -6.1795 -6.1600 -6.1095 -6.0964 1.4384 1.4719 1.7930 1.8051 1.8486 1.8497 2.1368 2.1936 2.6679 2.7528 2.8095 2.8255 2.8347 2.8495 2.8970 2.8998 3.1354 3.1613 3.2839 3.3027 3.4998 3.5951 3.6061 3.6108 4.0186 4.0260 4.2473 4.2565 4.3312 4.3410 4.3853 4.3878 4.4454 4.4679 4.5159 4.5494 4.6869 4.7360 4.7917 4.8317 4.9316 4.9506 5.0319 5.0390 5.1009 5.1020 5.3158 5.3572 5.6522 5.6628 5.8897 5.9012 6.0828 6.0912 8.3792 8.5080 8.6601 8.7407 8.8815 8.8993 9.1072 9.1464 9.3120 9.5155 11.0206 11.0853 11.7365 11.7884 k = 0.2857 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7046 -25.7046 -25.7035 -25.7035 -6.6736 -6.6729 -6.4016 -6.3717 -6.1911 -6.1721 -6.1187 -6.1038 1.4487 1.4823 1.7883 1.8021 1.8473 1.8477 2.1525 2.2105 2.6646 2.7484 2.8140 2.8283 2.8366 2.8541 2.8981 2.9011 3.1136 3.1401 3.2829 3.3015 3.4799 3.5742 3.5825 3.5880 4.0235 4.0299 4.2522 4.2608 4.3339 4.3448 4.3878 4.3891 4.4489 4.4674 4.5125 4.5436 4.6773 4.7442 4.7887 4.8407 4.9383 4.9677 5.0343 5.0368 5.0951 5.0952 5.2992 5.3433 5.6643 5.6807 5.8702 5.8821 6.1040 6.1127 8.4130 8.5383 8.6516 8.7341 8.8841 8.9001 9.1388 9.1766 9.3235 9.5248 11.0495 11.1152 11.6971 11.7429 k = 0.3036 0.5000-0.0000 ( 6450 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7047 -25.7047 -25.7035 -25.7035 -6.6598 -6.6591 -6.3952 -6.3642 -6.2031 -6.1846 -6.1279 -6.1115 1.4587 1.4919 1.7835 1.7986 1.8448 1.8465 2.1709 2.2294 2.6623 2.7440 2.8184 2.8310 2.8394 2.8591 2.8993 2.9023 3.0906 3.1176 3.2821 3.3002 3.4613 3.5512 3.5615 3.5654 4.0280 4.0334 4.2578 4.2657 4.3362 4.3483 4.3897 4.3905 4.4529 4.4676 4.5096 4.5379 4.6659 4.7410 4.7957 4.8519 4.9427 4.9819 5.0334 5.0403 5.0896 5.0915 5.2808 5.3262 5.6753 5.6954 5.8512 5.8635 6.1283 6.1369 8.4461 8.5618 8.6447 8.7349 8.8881 8.9009 9.1707 9.2064 9.3349 9.5318 11.0779 11.1439 11.6520 11.6915 k = 0.3214 0.5000-0.0000 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7047 -25.7047 -25.7036 -25.7035 -6.6458 -6.6451 -6.3887 -6.3567 -6.2153 -6.1973 -6.1372 -6.1194 1.4682 1.5006 1.7787 1.7946 1.8423 1.8451 2.1920 2.2501 2.6611 2.7394 2.8225 2.8337 2.8430 2.8640 2.9007 2.9035 3.0665 3.0938 3.2814 3.2990 3.4441 3.5275 3.5421 3.5431 4.0321 4.0364 4.2639 4.2709 4.3382 4.3513 4.3899 4.3932 4.4574 4.4688 4.5074 4.5327 4.6538 4.7299 4.8099 4.8645 4.9446 4.9928 5.0285 5.0496 5.0844 5.0915 5.2611 5.3068 5.6853 5.7071 5.8331 5.8457 6.1546 6.1626 8.4776 8.5766 8.6403 8.7442 8.8937 8.9023 9.2022 9.2350 9.3461 9.5365 11.1052 11.1708 11.6030 11.6366 k = 0.3393 0.5000-0.0000 ( 6454 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7048 -25.7048 -25.7036 -25.7036 -6.6316 -6.6309 -6.3821 -6.3496 -6.2273 -6.2100 -6.1463 -6.1275 1.4772 1.5082 1.7738 1.7902 1.8398 1.8432 2.2156 2.2724 2.6608 2.7348 2.8266 2.8363 2.8472 2.8687 2.9021 2.9045 3.0414 3.0689 3.2810 3.2978 3.4285 3.5043 3.5215 3.5235 4.0356 4.0391 4.2703 4.2765 4.3397 4.3533 4.3896 4.3957 4.4624 4.4709 4.5057 4.5280 4.6416 4.7159 4.8267 4.8778 4.9445 4.9998 5.0231 5.0609 5.0795 5.0945 5.2405 5.2855 5.6944 5.7162 5.8160 5.8289 6.1817 6.1888 8.5060 8.5836 8.6398 8.7600 8.9006 8.9047 9.2327 9.2619 9.3574 9.5387 11.1311 11.1954 11.5521 11.5803 k = 0.3571 0.5000-0.0000 ( 6442 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7048 -25.7048 -25.7036 -25.7036 -6.6174 -6.6168 -6.3757 -6.3430 -6.2390 -6.2225 -6.1552 -6.1357 1.4857 1.5149 1.7690 1.7854 1.8374 1.8412 2.2412 2.2960 2.6615 2.7301 2.8305 2.8388 2.8518 2.8730 2.9037 2.9054 3.0158 3.0431 3.2809 3.2967 3.4148 3.4822 3.5010 3.5058 4.0388 4.0414 4.2770 4.2825 4.3408 4.3543 4.3893 4.3978 4.4681 4.4742 4.5046 4.5239 4.6298 4.7010 4.8447 4.8916 4.9434 5.0017 5.0200 5.0712 5.0769 5.0991 5.2193 5.2631 5.7025 5.7229 5.8003 5.8135 6.2086 6.2146 8.5293 8.5853 8.6447 8.7784 8.9086 8.9091 9.2618 9.2867 9.3687 9.5384 11.1551 11.2171 11.5014 11.5247 k = 0.3750 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7048 -25.7048 -25.7036 -25.7036 -6.6035 -6.6028 -6.3695 -6.3373 -6.2499 -6.2344 -6.1638 -6.1439 1.4937 1.5206 1.7646 1.7804 1.8352 1.8390 2.2685 2.3204 2.6631 2.7253 2.8342 2.8412 2.8566 2.8767 2.9054 2.9060 2.9900 3.0167 3.2810 3.2955 3.4029 3.4616 3.4819 3.4889 4.0415 4.0434 4.2838 4.2886 4.3414 4.3539 4.3890 4.3993 4.4742 4.4782 4.5038 4.5205 4.6187 4.6858 4.8630 4.9052 4.9424 4.9981 5.0212 5.0690 5.0870 5.1036 5.1980 5.2406 5.7097 5.7277 5.7862 5.7997 6.2343 6.2391 8.5461 8.5843 8.6560 8.7949 8.9162 8.9176 9.2890 9.3093 9.3801 9.5356 11.1771 11.2354 11.4525 11.4715 k = 0.3929 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7048 -25.7048 -25.7036 -25.7036 -6.5900 -6.5894 -6.3639 -6.3332 -6.2592 -6.2454 -6.1718 -6.1521 1.5010 1.5252 1.7605 1.7752 1.8332 1.8368 2.2967 2.3448 2.6656 2.7204 2.8375 2.8432 2.8614 2.8799 2.9061 2.9070 2.9650 2.9903 3.2814 3.2944 3.3931 3.4429 3.4645 3.4730 4.0439 4.0452 4.2905 4.2949 4.3415 4.3524 4.3890 4.4001 4.4804 4.4830 4.5034 4.5180 4.6088 4.6707 4.8810 4.9182 4.9425 4.9928 5.0244 5.0645 5.0987 5.1063 5.1768 5.2188 5.7159 5.7306 5.7740 5.7878 6.2580 6.2617 8.5567 8.5825 8.6729 8.8068 8.9262 8.9272 9.3139 9.3298 9.3913 9.5304 11.1967 11.2500 11.4069 11.4222 k = 0.4107 0.5000-0.0000 ( 6444 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5774 -6.5768 -6.3591 -6.3313 -6.2664 -6.2550 -6.1789 -6.1602 1.5078 1.5288 1.7569 1.7702 1.8315 1.8347 2.3251 2.3685 2.6687 2.7152 2.8402 2.8447 2.8661 2.8823 2.9052 2.9085 2.9424 2.9647 3.2820 3.2933 3.3855 3.4263 3.4492 3.4585 4.0458 4.0467 4.2972 4.3012 4.3411 4.3497 4.3893 4.4003 4.4864 4.4882 4.5031 4.5165 4.6002 4.6560 4.8975 4.9293 4.9450 4.9890 5.0282 5.0599 5.1055 5.1090 5.1568 5.1994 5.7209 5.7317 5.7642 5.7781 6.2790 6.2817 8.5629 8.5805 8.6931 8.8129 8.9371 8.9382 9.3362 9.3483 9.4020 9.5227 11.2138 11.2607 11.3662 11.3780 k = 0.4286 0.5000-0.0000 ( 6442 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5659 -6.5654 -6.3552 -6.3321 -6.2709 -6.2628 -6.1849 -6.1679 1.5140 1.5314 1.7541 1.7654 1.8301 1.8327 2.3527 2.3901 2.6723 2.7100 2.8419 2.8453 2.8705 2.8841 2.9014 2.9097 2.9255 2.9408 3.2829 3.2923 3.3799 3.4120 3.4364 3.4455 4.0473 4.0479 4.3036 4.3074 4.3401 4.3462 4.3899 4.3998 4.4916 4.4935 4.5032 4.5161 4.5935 4.6418 4.9105 4.9368 4.9524 4.9893 5.0322 5.0552 5.0996 5.1148 5.1406 5.1838 5.7243 5.7313 5.7572 5.7706 6.2968 6.2988 8.5667 8.5787 8.7141 8.8141 8.9469 8.9503 9.3556 9.3649 9.4122 9.5128 11.2284 11.2675 11.3315 11.3402 k = 0.4464 0.5000-0.0000 ( 6450 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5560 -6.5557 -6.3524 -6.3351 -6.2729 -6.2683 -6.1894 -6.1752 1.5194 1.5328 1.7521 1.7610 1.8290 1.8310 2.3782 2.4082 2.6762 2.7047 2.8420 2.8448 2.8743 2.8852 2.8930 2.9096 2.9178 2.9208 3.2840 3.2912 3.3765 3.4001 3.4264 3.4343 4.0485 4.0489 4.3099 4.3135 4.3385 4.3421 4.3907 4.3987 4.4954 4.4980 4.5039 4.5165 4.5892 4.6284 4.9186 4.9392 4.9659 4.9953 5.0365 5.0501 5.0877 5.1071 5.1377 5.1729 5.7259 5.7298 5.7533 5.7651 6.3111 6.3124 8.5693 8.5773 8.7343 8.8111 8.9559 8.9607 9.3716 9.3793 9.4220 9.5010 11.2407 11.2704 11.3042 11.3098 k = 0.4643 0.5000-0.0000 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5484 -6.5482 -6.3505 -6.3392 -6.2735 -6.2717 -6.1920 -6.1816 1.5240 1.5332 1.7511 1.7572 1.8283 1.8297 2.4000 2.4212 2.6804 2.6993 2.8403 2.8430 2.8775 2.8855 2.8858 2.9005 2.9139 2.9155 3.2852 3.2901 3.3752 3.3906 3.4195 3.4254 4.0494 4.0496 4.3158 4.3191 4.3361 4.3375 4.3917 4.3974 4.4978 4.5002 4.5068 4.5170 4.5880 4.6160 4.9235 4.9377 4.9839 5.0056 5.0410 5.0446 5.0716 5.0912 5.1432 5.1656 5.7259 5.7279 5.7524 5.7611 6.3215 6.3223 8.5712 8.5761 8.7530 8.8047 8.9636 8.9681 9.3841 9.3903 9.4324 9.4876 11.2505 11.2689 11.2858 11.2875 k = 0.4821 0.5000-0.0000 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7050 -25.7050 -25.7037 -25.7037 -6.5435 -6.5434 -6.3487 -6.3433 -6.2736 -6.2732 -6.1924 -6.1869 1.5278 1.5324 1.7511 1.7543 1.8280 1.8287 2.4164 2.4275 2.6847 2.6942 2.8385 2.8404 2.8797 2.8834 2.8851 2.8895 2.9138 2.9146 3.2864 3.2889 3.3759 3.3835 3.4159 3.4191 4.0499 4.0500 4.3216 4.3243 4.3326 4.3330 4.3930 4.3959 4.4993 4.5004 4.5108 4.5164 4.5905 4.6052 4.9273 4.9346 5.0037 5.0169 5.0382 5.0416 5.0586 5.0755 5.1493 5.1601 5.7254 5.7263 5.7535 5.7580 6.3279 6.3282 8.5727 8.5750 8.7695 8.7956 8.9693 8.9720 9.3927 9.3963 9.4445 9.4731 11.2573 11.2637 11.2747 11.2769 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7049 -25.7049 -25.7036 -25.7036 -6.5418 -6.5418 -6.3465 -6.3465 -6.2736 -6.2736 -6.1906 -6.1906 1.5306 1.5306 1.7522 1.7522 1.8281 1.8281 2.4259 2.4259 2.6893 2.6893 2.8384 2.8384 2.8829 2.8829 2.8842 2.8842 2.9142 2.9142 3.2877 3.2877 3.3787 3.3787 3.4159 3.4159 4.0502 4.0502 4.3268 4.3268 4.3295 4.3295 4.3944 4.3944 4.5001 4.5001 4.5144 4.5144 4.5965 4.5965 4.9310 4.9310 5.0215 5.0215 5.0324 5.0324 5.0631 5.0631 5.1550 5.1550 5.7255 5.7255 5.7555 5.7555 6.3302 6.3302 8.5739 8.5739 8.7838 8.7838 8.9722 8.9722 9.3970 9.3970 9.4585 9.4585 11.2602 11.2602 11.2727 11.2727 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7049 -25.7049 -25.7036 -25.7036 -6.5418 -6.5418 -6.3465 -6.3465 -6.2736 -6.2736 -6.1906 -6.1906 1.5306 1.5306 1.7522 1.7522 1.8281 1.8281 2.4259 2.4259 2.6893 2.6893 2.8384 2.8384 2.8829 2.8829 2.8842 2.8842 2.9142 2.9142 3.2877 3.2877 3.3787 3.3787 3.4159 3.4159 4.0502 4.0502 4.3268 4.3268 4.3295 4.3295 4.3944 4.3944 4.5001 4.5001 4.5144 4.5144 4.5965 4.5965 4.9310 4.9310 5.0215 5.0215 5.0324 5.0324 5.0631 5.0631 5.1550 5.1550 5.7255 5.7255 5.7555 5.7555 6.3302 6.3302 8.5739 8.5739 8.7838 8.7838 8.9722 8.9722 9.3970 9.3970 9.4585 9.4585 11.2602 11.2602 11.2727 11.2727 k = 0.4875 0.4875-0.0000 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7050 -25.7050 -25.7037 -25.7037 -6.5435 -6.5434 -6.3486 -6.3434 -6.2735 -6.2733 -6.1924 -6.1869 1.5278 1.5324 1.7511 1.7542 1.8280 1.8287 2.4165 2.4275 2.6848 2.6942 2.8383 2.8406 2.8801 2.8831 2.8854 2.8892 2.9138 2.9146 3.2864 3.2889 3.3761 3.3833 3.4161 3.4190 4.0499 4.0500 4.3206 4.3276 4.3287 4.3346 4.3930 4.3959 4.4993 4.5005 4.5108 4.5165 4.5905 4.6052 4.9273 4.9346 5.0038 5.0177 5.0375 5.0417 5.0587 5.0754 5.1494 5.1600 5.7255 5.7262 5.7535 5.7580 6.3279 6.3283 8.5727 8.5750 8.7697 8.7955 8.9692 8.9720 9.3922 9.3969 9.4450 9.4728 11.2587 11.2594 11.2770 11.2774 k = 0.4750 0.4750-0.0000 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5483 -6.5482 -6.3497 -6.3394 -6.2730 -6.2727 -6.1922 -6.1815 1.5241 1.5332 1.7505 1.7569 1.8288 1.8300 2.4002 2.4212 2.6804 2.6994 2.8400 2.8446 2.8803 2.8819 2.8875 2.8988 2.9135 2.9154 3.2852 3.2901 3.3761 3.3887 3.4206 3.4247 4.0494 4.0496 4.3133 4.3269 4.3285 4.3400 4.3917 4.3973 4.4980 4.5005 4.5062 4.5173 4.5874 4.6164 4.9233 4.9379 4.9839 5.0076 5.0406 5.0430 5.0717 5.0911 5.1433 5.1656 5.7264 5.7278 5.7521 5.7609 6.3218 6.3225 8.5713 8.5759 8.7534 8.8046 8.9633 8.9686 9.3801 9.3939 9.4350 9.4858 11.2462 11.2551 11.2910 11.2998 k = 0.4625 0.4625-0.0000 ( 6454 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5561 -6.5561 -6.3496 -6.3349 -6.2719 -6.2717 -6.1900 -6.1748 1.5195 1.5330 1.7493 1.7593 1.8312 1.8329 2.3781 2.4076 2.6763 2.7049 2.8424 2.8492 2.8809 2.8821 2.8926 2.9098 2.9135 2.9185 3.2839 3.2913 3.3789 3.3940 3.4300 3.4328 4.0486 4.0489 4.3056 4.3258 4.3280 4.3445 4.3906 4.3985 4.4963 4.5003 4.5011 4.5169 4.5872 4.6295 4.9182 4.9383 4.9679 4.9986 5.0353 5.0474 5.0875 5.1073 5.1378 5.1729 5.7279 5.7295 5.7518 5.7642 6.3119 6.3130 8.5696 8.5768 8.7351 8.8110 8.9547 8.9621 9.3607 9.3889 9.4285 9.4965 11.2266 11.2420 11.3195 11.3358 k = 0.4500 0.4500-0.0000 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5668 -6.5666 -6.3484 -6.3298 -6.2702 -6.2701 -6.1861 -6.1670 1.5141 1.5317 1.7463 1.7597 1.8365 1.8387 2.3515 2.3879 2.6725 2.7107 2.8448 2.8526 2.8806 2.8845 2.9012 2.9141 2.9153 2.9314 3.2826 3.2927 3.3843 3.3992 3.4431 3.4439 4.0474 4.0480 4.2978 4.3245 4.3274 4.3482 4.3895 4.3992 4.4941 4.4961 4.4999 4.5155 4.5899 4.6443 4.9115 4.9285 4.9633 4.9924 5.0299 5.0509 5.0992 5.1157 5.1406 5.1840 5.7299 5.7310 5.7528 5.7679 6.2988 6.3003 8.5676 8.5776 8.7150 8.8147 8.9440 8.9529 9.3366 9.3824 9.4235 9.5043 11.2006 11.2211 11.3603 11.3838 k = 0.4375 0.4375-0.0000 ( 6434 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7036 -25.7036 -6.5799 -6.5794 -6.3461 -6.3244 -6.2682 -6.2677 -6.1807 -6.1585 1.5080 1.5295 1.7404 1.7568 1.8452 1.8485 2.3216 2.3635 2.6695 2.7168 2.8462 2.8540 2.8815 2.8882 2.9060 2.9157 2.9256 2.9497 3.2814 3.2943 3.3919 3.4048 3.4552 3.4612 4.0458 4.0468 4.2901 4.3229 4.3265 4.3508 4.3884 4.3989 4.4902 4.4928 4.4993 4.5134 4.5951 4.6603 4.9028 4.9112 4.9676 4.9896 5.0246 5.0538 5.1051 5.1103 5.1571 5.1997 5.7321 5.7322 5.7552 5.7718 6.2831 6.2851 8.5652 8.5783 8.6934 8.8157 8.9316 8.9414 9.3097 9.3744 9.4183 9.5091 11.1686 11.1931 11.4116 11.4422 k = 0.4250 0.4250-0.0000 ( 6422 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7048 -25.7048 -25.7036 -25.7036 -6.5952 -6.5942 -6.3429 -6.3186 -6.2656 -6.2645 -6.1743 -6.1495 1.5011 1.5263 1.7314 1.7502 1.8574 1.8623 2.2893 2.3356 2.6676 2.7230 2.8460 2.8535 2.8841 2.8935 2.9061 2.9177 2.9443 2.9700 3.2804 3.2962 3.4013 3.4111 3.4692 3.4810 4.0439 4.0455 4.2824 4.3212 4.3254 4.3526 4.3871 4.3972 4.4856 4.4908 4.4983 4.5109 4.6028 4.6772 4.8924 4.8924 4.9750 4.9900 5.0194 5.0563 5.1006 5.1058 5.1777 5.2193 5.7329 5.7348 5.7584 5.7756 6.2656 6.2681 8.5622 8.5789 8.6705 8.8141 8.9180 8.9280 9.2812 9.3652 9.4119 9.5106 11.1308 11.1582 11.4716 11.5094 k = 0.4125 0.4125-0.0000 ( 6434 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7048 -25.7048 -25.7036 -25.7036 -6.6122 -6.6109 -6.3388 -6.3126 -6.2622 -6.2606 -6.1670 -6.1404 1.4935 1.5220 1.7194 1.7401 1.8724 1.8796 2.2557 2.3056 2.6672 2.7296 2.8442 2.8517 2.8878 2.9001 2.9055 2.9207 2.9668 2.9916 3.2795 3.2983 3.4120 3.4181 3.4847 3.5026 4.0416 4.0438 4.2748 4.3194 4.3242 4.3536 4.3854 4.3940 4.4811 4.4894 4.4967 4.5087 4.6126 4.6947 4.8736 4.8807 4.9834 4.9928 5.0144 5.0583 5.0897 5.1027 5.1992 5.2411 5.7341 5.7377 5.7612 5.7787 6.2472 6.2503 8.5585 8.5792 8.6466 8.8099 8.9037 8.9134 9.2519 9.3545 9.4039 9.5090 11.0873 11.1168 11.5379 11.5834 k = 0.4000 0.4000-0.0000 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7047 -25.7047 -25.7036 -25.7036 -6.6306 -6.6289 -6.3339 -6.3062 -6.2581 -6.2560 -6.1593 -6.1312 1.4851 1.5166 1.7047 1.7270 1.8895 1.8994 2.2216 2.2746 2.6688 2.7368 2.8411 2.8491 2.8916 2.9019 2.9107 2.9257 2.9915 3.0140 3.2789 3.3009 3.4236 3.4259 3.5017 3.5255 4.0389 4.0420 4.2674 4.3175 4.3231 4.3539 4.3833 4.3892 4.4770 4.4889 4.4943 4.5073 4.6244 4.7125 4.8555 4.8685 4.9925 4.9969 5.0102 5.0593 5.0791 5.0971 5.2209 5.2638 5.7362 5.7409 5.7629 5.7806 6.2290 6.2327 8.5541 8.5793 8.6221 8.8036 8.8890 8.8979 9.2223 9.3423 9.3938 9.5043 11.0384 11.0695 11.6081 11.6617 k = 0.3875 0.3875-0.0000 ( 6448 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7047 -25.7047 -25.7036 -25.7036 -6.6502 -6.6483 -6.3283 -6.2995 -6.2532 -6.2508 -6.1513 -6.1223 1.4758 1.5099 1.6876 1.7112 1.9074 1.9203 2.1882 2.2439 2.6728 2.7446 2.8373 2.8463 2.8945 2.9002 2.9207 2.9333 3.0177 3.0370 3.2786 3.3037 3.4343 3.4358 3.5198 3.5491 4.0358 4.0399 4.2602 4.3157 4.3219 4.3537 4.3804 4.3828 4.4732 4.4891 4.4912 4.5068 4.6378 4.7303 4.8383 4.8560 4.9983 5.0013 5.0101 5.0558 5.0729 5.0898 5.2426 5.2867 5.7392 5.7441 5.7627 5.7810 6.2122 6.2165 8.5488 8.5787 8.5975 8.7953 8.8740 8.8820 9.1929 9.3285 9.3816 9.4966 10.9844 11.0165 11.6791 11.7413 k = 0.3750 0.3750-0.0000 ( 6436 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7047 -25.7047 -25.7036 -25.7036 -6.6707 -6.6686 -6.3220 -6.2926 -6.2475 -6.2448 -6.1433 -6.1136 1.4655 1.5017 1.6684 1.6931 1.9249 1.9408 2.1572 2.2153 2.6794 2.7530 2.8331 2.8437 2.8962 2.8981 2.9323 2.9436 3.0450 3.0604 3.2787 3.3071 3.4432 3.4484 3.5388 3.5731 4.0324 4.0377 4.2533 4.3139 4.3209 4.3532 4.3752 4.3766 4.4699 4.4879 4.4903 4.5073 4.6525 4.7475 4.8223 4.8436 4.9950 5.0095 5.0160 5.0456 5.0740 5.0814 5.2641 5.3091 5.7419 5.7461 5.7618 5.7810 6.1979 6.2029 8.5426 8.5695 8.5809 8.7854 8.8591 8.8663 9.1638 9.3130 9.3671 9.4859 10.9256 10.9584 11.7475 11.8185 k = 0.3625 0.3625-0.0000 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7046 -25.7046 -25.7035 -25.7035 -6.6920 -6.6896 -6.3152 -6.2853 -6.2412 -6.2383 -6.1353 -6.1053 1.4541 1.4920 1.6473 1.6730 1.9395 1.9577 2.1315 2.1909 2.6888 2.7620 2.8287 2.8418 2.8958 2.8968 2.9450 2.9560 3.0732 3.0841 3.2792 3.3109 3.4525 3.4611 3.5583 3.5971 4.0286 4.0352 4.2467 4.3122 4.3200 4.3521 4.3666 4.3716 4.4671 4.4851 4.4922 4.5084 4.6681 4.7628 4.8089 4.8314 4.9898 5.0155 5.0241 5.0336 5.0722 5.0784 5.2853 5.3307 5.7388 5.7437 5.7651 5.7832 6.1870 6.1925 8.5354 8.5453 8.5789 8.7739 8.8446 8.8509 9.1354 9.2958 9.3502 9.4724 10.8624 10.8957 11.8083 11.8857 k = 0.3500 0.3500-0.0000 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7046 -25.7046 -25.7035 -25.7035 -6.7137 -6.7113 -6.3079 -6.2778 -6.2341 -6.2312 -6.1276 -6.0974 1.4415 1.4806 1.6246 1.6509 1.9483 1.9655 2.1167 2.1739 2.7013 2.7709 2.8243 2.8413 2.8936 2.8966 2.9589 2.9703 3.1020 3.1081 3.2803 3.3152 3.4621 3.4737 3.5782 3.6209 4.0245 4.0325 4.2406 4.3102 4.3194 4.3498 4.3585 4.3652 4.4650 4.4830 4.4950 4.5100 4.6842 4.7705 4.8034 4.8196 4.9840 5.0135 5.0273 5.0329 5.0628 5.0846 5.3064 5.3515 5.7276 5.7343 5.7750 5.7903 6.1801 6.1859 8.5204 8.5272 8.5772 8.7607 8.8310 8.8362 9.1077 9.2767 9.3308 9.4561 10.7952 10.8288 11.8551 11.9158 k = 0.3375 0.3375-0.0000 ( 6438 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7045 -25.7045 -25.7035 -25.7035 -6.7358 -6.7334 -6.3000 -6.2700 -6.2265 -6.2236 -6.1201 -6.0900 1.4277 1.4674 1.6003 1.6271 1.9480 1.9591 2.1180 2.1676 2.7169 2.7789 2.8199 2.8429 2.8919 2.8960 2.9739 2.9861 3.1312 3.1322 3.2819 3.3202 3.4718 3.4863 3.5980 3.6440 4.0201 4.0296 4.2350 4.3078 4.3187 4.3434 4.3543 4.3576 4.4635 4.4821 4.4985 4.5123 4.7004 4.7645 4.8084 4.8120 4.9776 5.0013 5.0294 5.0417 5.0536 5.0918 5.3276 5.3714 5.7104 5.7186 5.7895 5.8020 6.1772 6.1833 8.4957 8.5182 8.5751 8.7457 8.8187 8.8224 9.0806 9.2558 9.3090 9.4372 10.7246 10.7582 11.8835 11.9253 k = 0.3250 0.3250-0.0000 ( 6444 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7035 -25.7035 -6.7582 -6.7558 -6.2918 -6.2620 -6.2183 -6.2155 -6.1130 -6.0832 1.4127 1.4526 1.5747 1.6017 1.9371 1.9396 2.1339 2.1734 2.7353 2.7848 2.8156 2.8471 2.8913 2.8951 2.9898 3.0032 3.1564 3.1605 3.2842 3.3259 3.4816 3.4987 3.6175 3.6663 4.0155 4.0264 4.2300 4.3036 4.3176 4.3353 4.3490 4.3532 4.4627 4.4824 4.5027 4.5149 4.7163 4.7529 4.7979 4.8263 4.9703 4.9871 5.0318 5.0450 5.0503 5.0993 5.3493 5.3910 5.6887 5.6980 5.8076 5.8173 6.1781 6.1842 8.4715 8.5084 8.5723 8.7288 8.8080 8.8095 9.0541 9.2331 9.2848 9.4157 10.6508 10.6844 11.9000 11.9321 k = 0.3125 0.3125-0.0000 ( 6454 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7035 -25.7035 -6.7806 -6.7783 -6.2831 -6.2538 -6.2097 -6.2070 -6.1062 -6.0770 1.3964 1.4360 1.5480 1.5750 1.9130 1.9175 2.1588 2.1894 2.7562 2.7881 2.8115 2.8528 2.8935 2.8942 3.0066 3.0213 3.1805 3.1895 3.2874 3.3327 3.4914 3.5109 3.6365 3.6874 4.0106 4.0229 4.2259 4.2960 4.3151 4.3293 4.3407 4.3533 4.4625 4.4840 4.5076 4.5181 4.7310 4.7403 4.7888 4.8415 4.9620 4.9729 5.0336 5.0375 5.0581 5.1064 5.3720 5.4107 5.6636 5.6738 5.8287 5.8355 6.1821 6.1880 8.4480 8.4979 8.5687 8.7104 8.7976 8.7989 9.0280 9.2087 9.2583 9.3917 10.5743 10.6077 11.9114 11.9381 k = 0.3000 0.3000-0.0000 ( 6466 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7035 -25.7035 -6.8030 -6.8007 -6.2741 -6.2454 -6.2006 -6.1982 -6.0999 -6.0713 1.3790 1.4178 1.5203 1.5472 1.8831 1.8922 2.1883 2.2125 2.7788 2.7891 2.8076 2.8569 2.8940 2.9013 3.0242 3.0404 3.2043 3.2178 3.2918 3.3410 3.5010 3.5227 3.6548 3.7072 4.0055 4.0189 4.2226 4.2845 4.3089 4.3266 4.3352 4.3542 4.4629 4.4869 4.5133 4.5216 4.7278 4.7428 4.7828 4.8562 4.9524 4.9589 5.0313 5.0346 5.0649 5.1124 5.3963 5.4311 5.6360 5.6472 5.8525 5.8561 6.1885 6.1942 8.4253 8.4869 8.5645 8.6908 8.7865 8.7909 9.0022 9.1827 9.2298 9.3654 10.4954 10.5285 11.9204 11.9433 k = 0.2875 0.2875-0.0000 ( 6474 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7042 -25.7042 -25.7035 -25.7035 -6.8252 -6.8231 -6.2649 -6.2369 -6.1912 -6.1890 -6.0939 -6.0661 1.3605 1.3983 1.4918 1.5184 1.8520 1.8637 2.2204 2.2400 2.7885 2.8014 2.8043 2.8576 2.8956 2.9155 3.0426 3.0604 3.2271 3.2445 3.2981 3.3515 3.5106 3.5343 3.6721 3.7255 4.0003 4.0146 4.2202 4.2701 4.2984 4.3262 4.3335 4.3563 4.4639 4.4910 4.5195 4.5256 4.7158 4.7476 4.7835 4.8694 4.9419 4.9461 5.0268 5.0351 5.0704 5.1172 5.4225 5.4530 5.6067 5.6189 5.8783 5.8789 6.1968 6.2021 8.4035 8.4755 8.5596 8.6705 8.7761 8.7838 8.9765 9.1553 9.1995 9.3368 10.4143 10.4471 11.9279 11.9480 k = 0.2750 0.2750-0.0000 ( 6472 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7042 -25.7042 -25.7034 -25.7034 -6.8472 -6.8452 -6.2554 -6.2283 -6.1815 -6.1796 -6.0883 -6.0615 1.3411 1.3774 1.4627 1.4888 1.8207 1.8336 2.2541 2.2705 2.7871 2.8001 2.8228 2.8557 2.9013 2.9346 3.0616 3.0810 3.2478 3.2684 3.3073 3.3654 3.5200 3.5455 3.6884 3.7421 3.9950 4.0098 4.2186 4.2540 4.2855 4.3273 4.3343 4.3595 4.4654 4.4962 4.5264 4.5300 4.7043 4.7446 4.7918 4.8797 4.9306 4.9361 5.0236 5.0351 5.0744 5.1205 5.4509 5.4768 5.5766 5.5899 5.9033 5.9057 6.2062 6.2110 8.3827 8.4637 8.5541 8.6500 8.7660 8.7769 8.9510 9.1268 9.1676 9.3063 10.3314 10.3637 11.9342 11.9523 k = 0.2625 0.2625-0.0000 ( 6472 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7041 -25.7041 -25.7034 -25.7034 -6.8688 -6.8670 -6.2457 -6.2197 -6.1716 -6.1699 -6.0831 -6.0575 1.3209 1.3556 1.4331 1.4586 1.7897 1.8028 2.2885 2.3026 2.7852 2.7967 2.8370 2.8524 2.9150 2.9567 3.0812 3.1022 3.2649 3.2884 3.3212 3.3835 3.5293 3.5564 3.7035 3.7569 3.9896 4.0045 4.2169 4.2367 4.2723 4.3293 4.3365 4.3642 4.4674 4.5023 4.5339 4.5349 4.6934 4.7381 4.8029 4.8836 4.9192 4.9322 5.0219 5.0346 5.0770 5.1226 5.4811 5.5022 5.5468 5.5613 5.9289 5.9341 6.2161 6.2204 8.3629 8.4517 8.5481 8.6297 8.7561 8.7701 8.9255 9.0974 9.1346 9.2739 10.2466 10.2785 11.9392 11.9560 k = 0.2500 0.2500-0.0000 ( 6458 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7040 -25.7040 -25.7033 -25.7033 -6.8900 -6.8884 -6.2360 -6.2112 -6.1616 -6.1602 -6.0783 -6.0539 1.3001 1.3330 1.4034 1.4281 1.7592 1.7720 2.3233 2.3356 2.7831 2.7935 2.8433 2.8483 2.9376 2.9807 3.1012 3.1238 3.2777 3.3043 3.3402 3.4061 3.5383 3.5670 3.7173 3.7698 3.9841 3.9987 4.2131 4.2183 4.2617 4.3320 4.3396 4.3704 4.4700 4.5091 4.5404 4.5419 4.6832 4.7308 4.8136 4.8791 4.9084 4.9366 5.0214 5.0336 5.0783 5.1237 5.5073 5.5106 5.5369 5.5393 5.9553 5.9632 6.2262 6.2300 8.3444 8.4395 8.5417 8.6100 8.7458 8.7628 8.8999 9.0674 9.1007 9.2398 10.1603 10.1917 11.9426 11.9594 k = 0.2375 0.2375-0.0000 ( 6478 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7039 -25.7039 -25.7033 -25.7033 -6.9107 -6.9092 -6.2262 -6.2027 -6.1515 -6.1503 -6.0738 -6.0508 1.2789 1.3099 1.3735 1.3974 1.7295 1.7415 2.3582 2.3690 2.7809 2.7905 2.8436 2.8442 2.9662 3.0058 3.1215 3.1456 3.2874 3.3166 3.3631 3.4321 3.5473 3.5772 3.7297 3.7808 3.9784 3.9923 4.1992 4.2041 4.2568 4.3351 4.3434 4.3782 4.4728 4.5162 4.5466 4.5502 4.6737 4.7234 4.8220 4.8693 4.8997 4.9462 5.0218 5.0319 5.0783 5.1242 5.4828 5.4950 5.5587 5.5664 5.9821 5.9924 6.2361 6.2392 8.3271 8.4271 8.5350 8.5910 8.7349 8.7548 8.8742 9.0372 9.0663 9.2044 10.0726 10.1035 11.9440 11.9623 k = 0.2250 0.2250-0.0000 ( 6470 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7039 -25.7039 -25.7033 -25.7033 -6.9307 -6.9295 -6.2164 -6.1944 -6.1414 -6.1405 -6.0695 -6.0481 1.2576 1.2865 1.3438 1.3667 1.7006 1.7116 2.3928 2.4026 2.7787 2.7876 2.8387 2.8422 2.9978 3.0316 3.1421 3.1675 3.2956 3.3265 3.3884 3.4604 3.5562 3.5872 3.7408 3.7900 3.9726 3.9854 4.1795 4.1897 4.2585 4.3387 4.3480 4.3877 4.4763 4.5233 4.5536 4.5588 4.6650 4.7164 4.8260 4.8576 4.8952 4.9578 5.0231 5.0296 5.0775 5.1246 5.4535 5.4680 5.5958 5.6009 6.0091 6.0215 6.2455 6.2480 8.3111 8.4147 8.5281 8.5731 8.7230 8.7459 8.8485 9.0071 9.0318 9.1679 9.9836 10.0140 11.9431 11.9649 k = 0.2125 0.2125-0.0000 ( 6466 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7038 -25.7038 -25.7033 -25.7033 -6.9501 -6.9490 -6.2067 -6.1863 -6.1313 -6.1307 -6.0656 -6.0458 1.2362 1.2631 1.3144 1.3363 1.6726 1.6825 2.4269 2.4357 2.7766 2.7849 2.8336 2.8388 3.0305 3.0576 3.1629 3.1893 3.3032 3.3349 3.4151 3.4897 3.5650 3.5969 3.7504 3.7974 3.9665 3.9779 4.1593 4.1717 4.2646 4.3427 4.3533 4.3989 4.4801 4.5298 4.5617 4.5676 4.6573 4.7098 4.8239 4.8453 4.8965 4.9700 5.0251 5.0265 5.0763 5.1253 5.4248 5.4405 5.6366 5.6385 6.0358 6.0499 6.2542 6.2561 8.2966 8.4022 8.5211 8.5563 8.7097 8.7358 8.8228 8.9775 8.9976 9.1307 9.8935 9.9233 11.9400 11.9669 k = 0.2000 0.2000-0.0000 ( 6472 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7037 -25.7037 -25.7033 -25.7033 -6.9688 -6.9678 -6.1972 -6.1785 -6.1214 -6.1211 -6.0619 -6.0439 1.2151 1.2400 1.2856 1.3064 1.6457 1.6544 2.4603 2.4682 2.7744 2.7824 2.8284 2.8346 3.0632 3.0835 3.1836 3.2107 3.3108 3.3423 3.4425 3.5194 3.5740 3.6065 3.7588 3.8032 3.9602 3.9700 4.1386 4.1518 4.2737 4.3471 4.3593 4.4114 4.4844 4.5353 4.5710 4.5763 4.6505 4.7037 4.8166 4.8331 4.9030 4.9824 5.0228 5.0276 5.0750 5.1265 5.3970 5.4135 5.6787 5.6797 6.0619 6.0775 6.2620 6.2633 8.2837 8.3898 8.5140 8.5405 8.6950 8.7245 8.7975 8.9485 8.9640 9.0929 9.8024 9.8317 11.9353 11.9681 k = 0.1875 0.1875-0.0000 ( 6460 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7036 -25.7036 -25.7032 -25.7032 -6.9866 -6.9858 -6.1879 -6.1710 -6.1117 -6.1116 -6.0583 -6.0422 1.1944 1.2172 1.2574 1.2771 1.6198 1.6273 2.4927 2.4999 2.7725 2.7800 2.8233 2.8299 3.0952 3.1089 3.2042 3.2317 3.3187 3.3491 3.4703 3.5487 3.5831 3.6160 3.7660 3.8074 3.9535 3.9618 4.1176 4.1308 4.2847 4.3519 4.3661 4.4253 4.4891 4.5396 4.5815 4.5850 4.6451 4.6982 4.8064 4.8211 4.9126 4.9947 5.0186 5.0304 5.0741 5.1284 5.3704 5.3874 5.7213 5.7248 6.0873 6.1040 6.2688 6.2695 8.2724 8.3777 8.5070 8.5260 8.6786 8.7118 8.7730 8.9205 8.9313 9.0552 9.7106 9.7392 11.9300 11.9675 k = 0.1750 0.1750-0.0000 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7035 -25.7035 -25.7032 -25.7032 -7.0036 -7.0029 -6.1789 -6.1638 -6.1023 -6.1022 -6.0550 -6.0408 1.1743 1.1952 1.2301 1.2486 1.5951 1.6014 2.5240 2.5305 2.7706 2.7777 2.8181 2.8250 3.1258 3.1335 3.2246 3.2519 3.3270 3.3555 3.4980 3.5772 3.5925 3.6255 3.7720 3.8104 3.9464 3.9532 4.0963 4.1091 4.2968 4.3569 4.3738 4.4399 4.4942 4.5425 4.5926 4.5933 4.6410 4.6934 4.7947 4.8095 4.9236 5.0060 5.0148 5.0333 5.0741 5.1312 5.3451 5.3624 5.7659 5.7716 6.1116 6.1290 6.2746 6.2748 8.2631 8.3662 8.5000 8.5124 8.6606 8.6973 8.7497 8.8935 8.8996 9.0177 9.6182 9.6463 11.9249 11.9644 k = 0.1625 0.1625-0.0000 ( 6465 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7035 -25.7035 -25.7032 -25.7032 -7.0196 -7.0191 -6.1703 -6.1572 -6.0934 -6.0931 -6.0519 -6.0395 1.1549 1.1739 1.2039 1.2212 1.5716 1.5768 2.5539 2.5597 2.7689 2.7756 2.8132 2.8200 3.1545 3.1571 3.2447 3.2713 3.3357 3.3614 3.5254 3.6025 3.6046 3.6351 3.7771 3.8122 3.9389 3.9444 4.0748 4.0871 4.3098 4.3621 4.3824 4.4552 4.4996 4.5439 4.6013 4.6041 4.6385 4.6894 4.7825 4.7983 4.9349 5.0073 5.0204 5.0365 5.0753 5.1347 5.3212 5.3385 5.8123 5.8196 6.1347 6.1523 6.2790 6.2794 8.2558 8.3556 8.4931 8.4996 8.6412 8.6806 8.7288 8.8675 8.8691 8.9808 9.5258 9.5530 11.9206 11.9595 k = 0.1500 0.1500-0.0000 ( 6461 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7034 -25.7034 -25.7032 -25.7032 -7.0347 -7.0343 -6.1622 -6.1509 -6.0848 -6.0844 -6.0488 -6.0384 1.1364 1.1536 1.1789 1.1950 1.5494 1.5537 2.5821 2.5873 2.7673 2.7736 2.8084 2.8151 3.1795 3.1809 3.2643 3.2897 3.3451 3.3672 3.5521 3.6131 3.6304 3.6452 3.7813 3.8131 3.9310 3.9354 4.0533 4.0649 4.3230 4.3675 4.3921 4.4704 4.5054 4.5441 4.6088 4.6154 4.6379 4.6861 4.7702 4.7876 4.9459 5.0026 5.0317 5.0401 5.0781 5.1391 5.2988 5.3160 5.8599 5.8684 6.1564 6.1739 6.2822 6.2832 8.2507 8.3462 8.4864 8.4876 8.6207 8.6617 8.7108 8.8400 8.8425 8.9451 9.4335 9.4599 11.9175 11.9548 k = 0.1375 0.1375-0.0000 ( 6471 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7034 -25.7034 -25.7031 -25.7031 -7.0488 -7.0484 -6.1546 -6.1452 -6.0767 -6.0762 -6.0460 -6.0375 1.1190 1.1344 1.1553 1.1701 1.5286 1.5320 2.6086 2.6133 2.7660 2.7718 2.8039 2.8103 3.2003 3.2046 3.2834 3.3072 3.3547 3.3726 3.5779 3.6246 3.6518 3.6583 3.7849 3.8131 3.9226 3.9263 4.0317 4.0427 4.3361 4.3729 4.4030 4.4851 4.5115 4.5432 4.6157 4.6252 4.6398 4.6837 4.7580 4.7773 4.9556 4.9976 5.0430 5.0449 5.0822 5.1440 5.2780 5.2948 5.9084 5.9177 6.1764 6.1934 6.2845 6.2860 8.2482 8.3384 8.4762 8.4799 8.5995 8.6410 8.6958 8.8122 8.8183 8.9108 9.3420 9.3673 11.9158 11.9514 k = 0.1250 0.1250-0.0000 ( 6459 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7033 -25.7033 -25.7031 -25.7031 -7.0617 -7.0615 -6.1475 -6.1399 -6.0690 -6.0685 -6.0432 -6.0365 1.1027 1.1165 1.1333 1.1468 1.5092 1.5118 2.6331 2.6372 2.7649 2.7703 2.7998 2.8058 3.2196 3.2254 3.3017 3.3238 3.3645 3.3780 3.6024 3.6372 3.6640 3.6793 3.7879 3.8125 3.9138 3.9172 4.0102 4.0206 4.3486 4.3784 4.4150 4.4986 4.5181 4.5415 4.6221 4.6317 4.6457 4.6822 4.7463 4.7675 4.9632 4.9927 5.0513 5.0539 5.0876 5.1496 5.2590 5.2753 5.9571 5.9668 6.1948 6.2108 6.2861 6.2880 8.2483 8.3326 8.4652 8.4737 8.5780 8.6197 8.6833 8.7859 8.7947 8.8783 9.2519 9.2757 11.9155 11.9498 k = 0.1125 0.1125-0.0000 ( 6481 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7033 -25.7033 -25.7031 -25.7031 -7.0736 -7.0734 -6.1411 -6.1352 -6.0619 -6.0613 -6.0407 -6.0356 1.0877 1.0999 1.1129 1.1251 1.4914 1.4934 2.6553 2.6589 2.7641 2.7691 2.7960 2.8016 3.2369 3.2433 3.3193 3.3395 3.3741 3.3831 3.6252 3.6512 3.6750 3.7002 3.7904 3.8114 3.9045 3.9082 3.9887 3.9987 4.3603 4.3838 4.4279 4.5101 4.5249 4.5392 4.6280 4.6355 4.6544 4.6814 4.7351 4.7580 4.9684 4.9880 5.0596 5.0639 5.0943 5.1555 5.2418 5.2574 6.0054 6.0151 6.2112 6.2260 6.2869 6.2893 8.2515 8.3291 8.4547 8.4679 8.5566 8.5987 8.6729 8.7612 8.7717 8.8478 9.1637 9.1856 11.9163 11.9499 k = 0.1000 0.1000-0.0000 ( 6479 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7031 -25.7031 -7.0843 -7.0842 -6.1354 -6.1310 -6.0554 -6.0547 -6.0383 -6.0347 1.0742 1.0848 1.0944 1.1053 1.4753 1.4766 2.6751 2.6782 2.7638 2.7683 2.7926 2.7977 3.2524 3.2583 3.3359 3.3543 3.3832 3.3880 3.6461 3.6667 3.6862 3.7194 3.7927 3.8099 3.8949 3.8992 3.9674 3.9771 4.3711 4.3891 4.4415 4.5193 4.5321 4.5367 4.6334 4.6385 4.6635 4.6814 4.7246 4.7490 4.9713 4.9837 5.0690 5.0730 5.1023 5.1617 5.2267 5.2414 6.0526 6.0620 6.2258 6.2389 6.2873 6.2902 8.2580 8.3283 8.4448 8.4626 8.5359 8.5786 8.6643 8.7384 8.7491 8.8197 9.0783 9.0979 11.9173 11.9516 k = 0.0875 0.0875-0.0000 ( 6485 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7031 -25.7031 -7.0938 -7.0937 -6.1305 -6.1274 -6.0495 -6.0489 -6.0362 -6.0338 1.0620 1.0712 1.0779 1.0874 1.4608 1.4617 2.6921 2.6947 2.7642 2.7681 2.7897 2.7942 3.2658 3.2706 3.3514 3.3682 3.3914 3.3927 3.6652 3.6837 3.6979 3.7370 3.7947 3.8081 3.8849 3.8904 3.9464 3.9560 4.3810 4.3941 4.4554 4.5263 4.5343 4.5388 4.6384 4.6414 4.6718 4.6822 4.7152 4.7403 4.9723 4.9799 5.0782 5.0809 5.1119 5.1679 5.2138 5.2273 6.0978 6.1065 6.2383 6.2494 6.2875 6.2908 8.2678 8.3303 8.4358 8.4577 8.5163 8.5599 8.6572 8.7179 8.7267 8.7940 8.9967 9.0133 11.9169 11.9397 k = 0.0750 0.0750-0.0000 ( 6491 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7031 -25.7031 -7.1021 -7.1021 -6.1262 -6.1242 -6.0442 -6.0437 -6.0343 -6.0329 1.0515 1.0592 1.0634 1.0715 1.4480 1.4486 2.7062 2.7082 2.7655 2.7687 2.7872 2.7912 3.2771 3.2807 3.3656 3.3807 3.3972 3.3984 3.6831 3.7011 3.7101 3.7527 3.7965 3.8060 3.8747 3.8818 3.9257 3.9355 4.3898 4.3989 4.4692 4.5315 4.5323 4.5442 4.6429 4.6443 4.6791 4.6835 4.7071 4.7321 4.9721 4.9765 5.0858 5.0873 5.1233 5.1739 5.2032 5.2155 6.1400 6.1477 6.2487 6.2575 6.2878 6.2916 8.2813 8.3351 8.4284 8.4533 8.4988 8.5428 8.6509 8.7002 8.7045 8.7708 8.9203 8.9328 11.9126 11.9261 k = 0.0625 0.0625-0.0000 ( 6495 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7031 -7.1092 -7.1092 -6.1227 -6.1215 -6.0398 -6.0393 -6.0327 -6.0320 1.0425 1.0489 1.0510 1.0578 1.4371 1.4375 2.7169 2.7183 2.7679 2.7704 2.7852 2.7886 3.2864 3.2887 3.3784 3.3916 3.4014 3.4043 3.7007 3.7184 3.7226 3.7666 3.7983 3.8037 3.8643 3.8735 3.9054 3.9157 4.3975 4.4033 4.4827 4.5310 4.5353 4.5478 4.6466 4.6469 4.6851 4.6853 4.7006 4.7243 4.9712 4.9735 5.0915 5.0921 5.1357 5.1793 5.1950 5.2058 6.1782 6.1845 6.2568 6.2631 6.2887 6.2927 8.2982 8.3423 8.4236 8.4492 8.4842 8.5273 8.6445 8.6816 8.6861 8.7501 8.8507 8.8578 11.9045 11.9122 k = 0.0500 0.0500-0.0000 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7030 -7.1150 -7.1150 -6.1199 -6.1193 -6.0360 -6.0356 -6.0313 -6.0311 1.0352 1.0403 1.0409 1.0464 1.4282 1.4283 2.7244 2.7252 2.7713 2.7731 2.7837 2.7864 3.2938 3.2951 3.3896 3.4006 3.4052 3.4088 3.7182 3.7348 3.7354 3.7788 3.8000 3.8012 3.8541 3.8654 3.8858 3.8969 4.4040 4.4072 4.4954 4.5304 4.5376 4.5494 4.6493 4.6495 4.6876 4.6899 4.6960 4.7171 4.9700 4.9711 5.0952 5.0955 5.1483 5.1838 5.1892 5.1982 6.2110 6.2157 6.2625 6.2667 6.2906 6.2943 8.3180 8.3508 8.4231 8.4453 8.4739 8.5134 8.6355 8.6567 8.6766 8.7317 8.7908 8.7908 11.8952 11.8993 k = 0.0375 0.0375-0.0000 ( 6493 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7030 -7.1196 -7.1196 -6.1179 -6.1176 -6.0331 -6.0327 -6.0304 -6.0303 1.0296 1.0332 1.0334 1.0372 1.4211 1.4212 2.7291 2.7295 2.7752 2.7762 2.7826 2.7846 3.2993 3.2999 3.3989 3.4074 3.4086 3.4121 3.7357 3.7481 3.7503 3.7886 3.7983 3.8014 3.8447 3.8576 3.8673 3.8792 4.4091 4.4105 4.5072 4.5306 4.5386 4.5488 4.6512 4.6515 4.6901 4.6933 4.6933 4.7104 4.9688 4.9692 5.0974 5.0975 5.1600 5.1855 5.1868 5.1926 6.2374 6.2402 6.2661 6.2686 6.2939 6.2965 8.3389 8.3587 8.4294 8.4430 8.4688 8.5012 8.6198 8.6273 8.6724 8.7156 8.7366 8.7442 11.8865 11.8883 k = 0.0250 0.0250-0.0000 ( 6469 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7030 -25.7030 -25.7030 -25.7030 -7.1229 -7.1229 -6.1164 -6.1163 -6.0309 -6.0307 -6.0297 -6.0296 1.0258 1.0277 1.0284 1.0304 1.4160 1.4161 2.7318 2.7319 2.7786 2.7792 2.7820 2.7833 3.3032 3.3033 3.4062 3.4113 3.4119 3.4142 3.7529 3.7601 3.7647 3.7947 3.7950 3.8021 3.8373 3.8502 3.8514 3.8632 4.4127 4.4131 4.5179 4.5317 4.5383 4.5463 4.6527 4.6528 4.6925 4.6927 4.6954 4.7046 4.9678 4.9679 5.0986 5.0986 5.1702 5.1837 5.1878 5.1889 6.2560 6.2570 6.2680 6.2694 6.2982 6.2993 8.3567 8.3643 8.4438 8.4472 8.4679 8.4907 8.5929 8.5930 8.6729 8.7016 8.7018 8.7133 11.8794 11.8799 k = 0.0125 0.0125-0.0000 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1248 -7.1248 -6.1156 -6.1155 -6.0296 -6.0295 -6.0293 -6.0292 1.0239 1.0247 1.0251 1.0260 1.4130 1.4130 2.7332 2.7332 2.7810 2.7812 2.7817 2.7824 3.3054 3.3054 3.4114 3.4133 3.4141 3.4151 3.7682 3.7704 3.7781 3.7914 3.7948 3.7996 3.8351 3.8412 3.8438 3.8496 4.4148 4.4149 4.5273 4.5334 4.5371 4.5417 4.6536 4.6536 4.6935 4.6947 4.6963 4.6997 4.9671 4.9672 5.0991 5.0991 5.1783 5.1833 5.1857 5.1873 6.2664 6.2664 6.2690 6.2696 6.3020 6.3022 8.3667 8.3677 8.4616 8.4634 8.4703 8.4819 8.5589 8.5597 8.6771 8.6866 8.6903 8.6952 11.8747 11.8748 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1255 -7.1255 -6.1153 -6.1153 -6.0291 -6.0291 -6.0291 -6.0291 1.0239 1.0239 1.0239 1.0239 1.4120 1.4120 2.7336 2.7336 2.7819 2.7819 2.7819 2.7819 3.3061 3.3061 3.4143 3.4143 3.4143 3.4143 3.7758 3.7758 3.7905 3.7905 3.7905 3.7905 3.8396 3.8396 3.8396 3.8396 4.4155 4.4155 4.5353 4.5353 4.5353 4.5353 4.6539 4.6539 4.6959 4.6959 4.6959 4.6959 4.9669 4.9669 5.0992 5.0992 5.1840 5.1840 5.1840 5.1840 6.2695 6.2695 6.2695 6.2695 6.3035 6.3035 8.3691 8.3691 8.4749 8.4749 8.4749 8.4749 8.5409 8.5409 8.6843 8.6843 8.6843 8.6843 11.8731 11.8731 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1255 -7.1255 -6.1153 -6.1153 -6.0291 -6.0291 -6.0291 -6.0291 1.0239 1.0239 1.0239 1.0239 1.4120 1.4120 2.7336 2.7336 2.7819 2.7819 2.7819 2.7819 3.3061 3.3061 3.4143 3.4143 3.4143 3.4143 3.7758 3.7758 3.7905 3.7905 3.7905 3.7905 3.8396 3.8396 3.8396 3.8396 4.4155 4.4155 4.5353 4.5353 4.5353 4.5353 4.6539 4.6539 4.6959 4.6959 4.6959 4.6959 4.9669 4.9669 5.0992 5.0992 5.1840 5.1840 5.1840 5.1840 6.2695 6.2695 6.2695 6.2695 6.3035 6.3035 8.3691 8.3691 8.4749 8.4749 8.4749 8.4749 8.5409 8.5409 8.6843 8.6843 8.6843 8.6843 11.8731 11.8731 k = 0.0102 0.0102 0.0102 ( 6451 PWs) bands (ev): -61.4355 -61.4355 -34.3547 -34.3547 -25.7030 -25.7030 -25.7030 -25.7030 -7.1248 -7.1248 -6.1155 -6.1155 -6.0295 -6.0294 -6.0294 -6.0293 1.0239 1.0249 1.0249 1.0260 1.4130 1.4130 2.7332 2.7332 2.7812 2.7812 2.7816 2.7824 3.3054 3.3054 3.4113 3.4137 3.4137 3.4150 3.7696 3.7696 3.7773 3.7931 3.7931 3.7994 3.8355 3.8425 3.8425 3.8495 4.4148 4.4148 4.5270 4.5353 4.5353 4.5419 4.6536 4.6536 4.6935 4.6954 4.6954 4.6999 4.9671 4.9671 5.0991 5.0991 5.1780 5.1846 5.1846 5.1873 6.2663 6.2663 6.2691 6.2697 6.3021 6.3021 8.3672 8.3672 8.4627 8.4627 8.4694 8.4823 8.5593 8.5593 8.6767 8.6887 8.6887 8.6949 11.8747 11.8747 k = 0.0204 0.0204 0.0204 ( 6472 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7030 -25.7030 -25.7030 -25.7030 -7.1229 -7.1229 -6.1164 -6.1164 -6.0304 -6.0303 -6.0303 -6.0300 1.0260 1.0280 1.0280 1.0303 1.4160 1.4160 2.7319 2.7319 2.7791 2.7791 2.7817 2.7832 3.3033 3.3033 3.4062 3.4120 3.4120 3.4134 3.7578 3.7578 3.7631 3.7946 3.7946 3.7991 3.8418 3.8505 3.8505 3.8618 4.4129 4.4129 4.5172 4.5352 4.5352 4.5465 4.6527 4.6527 4.6928 4.6936 4.6936 4.7051 4.9679 4.9679 5.0986 5.0986 5.1693 5.1867 5.1867 5.1880 6.2558 6.2558 6.2687 6.2699 6.2989 6.2989 8.3606 8.3606 8.4463 8.4463 8.4657 8.4912 8.5927 8.5927 8.6725 8.7045 8.7045 8.7086 11.8796 11.8796 k = 0.0306 0.0306 0.0306 ( 6484 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7030 -25.7030 -7.1196 -7.1196 -6.1177 -6.1177 -6.0318 -6.0317 -6.0317 -6.0313 1.0303 1.0332 1.0332 1.0367 1.4211 1.4211 2.7295 2.7295 2.7760 2.7760 2.7820 2.7843 3.2997 3.2997 3.3991 3.4092 3.4092 3.4093 3.7445 3.7445 3.7492 3.7923 3.7923 3.7929 3.8553 3.8623 3.8623 3.8755 4.4098 4.4098 4.5062 4.5350 4.5350 4.5490 4.6513 4.6513 4.6910 4.6910 4.6941 4.7113 4.9690 4.9690 5.0974 5.0974 5.1582 5.1862 5.1906 5.1906 6.2366 6.2366 6.2682 6.2699 6.2957 6.2957 8.3485 8.3485 8.4389 8.4389 8.4639 8.5015 8.6223 8.6223 8.6717 8.7251 8.7371 8.7371 11.8872 11.8872 k = 0.0408 0.0408 0.0408 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7031 -7.1150 -7.1150 -6.1195 -6.1195 -6.0338 -6.0337 -6.0337 -6.0330 1.0366 1.0404 1.0404 1.0452 1.4282 1.4282 2.7252 2.7252 2.7726 2.7726 2.7827 2.7857 3.2947 3.2947 3.3900 3.4028 3.4053 3.4053 3.7308 3.7308 3.7359 3.7851 3.7868 3.7868 3.8714 3.8764 3.8764 3.8904 4.4057 4.4057 4.4942 4.5346 4.5346 4.5495 4.6492 4.6492 4.6877 4.6877 4.6973 4.7182 4.9706 4.9706 5.0951 5.0951 5.1448 5.1822 5.1969 5.1969 6.2090 6.2090 6.2674 6.2697 6.2929 6.2929 8.3335 8.3335 8.4406 8.4406 8.4638 8.5126 8.6435 8.6435 8.6747 8.7444 8.7878 8.7878 11.8967 11.8967 k = 0.0510 0.0510 0.0510 ( 6493 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7031 -7.1092 -7.1092 -6.1219 -6.1219 -6.0363 -6.0363 -6.0363 -6.0353 1.0450 1.0496 1.0496 1.0558 1.4372 1.4372 2.7185 2.7185 2.7696 2.7696 2.7837 2.7874 3.2883 3.2883 3.3791 3.3938 3.4004 3.4004 3.7168 3.7168 3.7234 3.7773 3.7788 3.7788 3.8884 3.8917 3.8917 3.9061 4.4006 4.4006 4.4813 4.5337 4.5337 4.5480 4.6462 4.6462 4.6841 4.6841 4.7023 4.7257 4.9724 4.9724 5.0916 5.0916 5.1296 5.1762 5.2060 5.2060 6.1741 6.1741 6.2664 6.2691 6.2901 6.2901 8.3192 8.3192 8.4480 8.4480 8.4653 8.5242 8.6598 8.6598 8.6815 8.7663 8.8513 8.8513 11.9072 11.9072 k = 0.0612 0.0612 0.0612 ( 6490 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7031 -25.7031 -25.7031 -25.7031 -7.1021 -7.1021 -6.1247 -6.1247 -6.0393 -6.0393 -6.0393 -6.0381 1.0554 1.0607 1.0607 1.0684 1.4481 1.4481 2.7087 2.7087 2.7674 2.7674 2.7850 2.7894 3.2803 3.2803 3.3665 3.3824 3.3945 3.3945 3.7029 3.7029 3.7118 3.7685 3.7685 3.7699 3.9059 3.9076 3.9076 3.9227 4.3947 4.3947 4.4677 4.5324 4.5324 4.5448 4.6421 4.6421 4.6808 4.6808 4.7088 4.7337 4.9743 4.9743 5.0870 5.0870 5.1128 5.1688 5.2182 5.2182 6.1329 6.1329 6.2649 6.2679 6.2871 6.2871 8.3073 8.3073 8.4590 8.4590 8.4683 8.5359 8.6751 8.6751 8.6924 8.7905 8.9229 8.9229 11.9176 11.9176 k = 0.0714 0.0714 0.0714 ( 6496 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7032 -25.7032 -7.0938 -7.0938 -6.1280 -6.1280 -6.0429 -6.0429 -6.0427 -6.0414 1.0676 1.0737 1.0737 1.0829 1.4608 1.4608 2.6958 2.6958 2.7664 2.7664 2.7866 2.7916 3.2708 3.2708 3.3524 3.3686 3.3878 3.3878 3.6890 3.6890 3.7013 3.7562 3.7562 3.7628 3.9236 3.9239 3.9239 3.9399 4.3880 4.3880 4.4535 4.5305 4.5305 4.5403 4.6366 4.6366 4.6783 4.6783 4.7165 4.7419 4.9763 4.9763 5.0816 5.0816 5.0950 5.1603 5.2335 5.2335 6.0867 6.0867 6.2629 6.2662 6.2836 6.2836 8.2988 8.2988 8.4723 8.4723 8.4724 8.5472 8.6911 8.6911 8.7073 8.8170 8.9997 8.9997 11.9273 11.9273 k = 0.0816 0.0816 0.0816 ( 6490 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7032 -25.7032 -7.0842 -7.0842 -6.1318 -6.1318 -6.0470 -6.0470 -6.0467 -6.0452 1.0817 1.0884 1.0884 1.0993 1.4753 1.4753 2.6798 2.6798 2.7664 2.7664 2.7885 2.7941 3.2598 3.2598 3.3368 3.3524 3.3803 3.3803 3.6749 3.6749 3.6917 3.7423 3.7423 3.7562 3.9403 3.9403 3.9414 3.9577 4.3809 4.3809 4.4388 4.5278 4.5278 4.5347 4.6298 4.6298 4.6769 4.6769 4.7250 4.7503 4.9782 4.9782 5.0758 5.0758 5.0767 5.1510 5.2516 5.2516 6.0365 6.0365 6.2603 6.2637 6.2795 6.2795 8.2938 8.2938 8.4775 8.4868 8.4868 8.5581 8.7088 8.7088 8.7258 8.8454 9.0799 9.0799 11.9358 11.9358 k = 0.0918 0.0918 0.0918 ( 6478 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7032 -25.7032 -7.0735 -7.0735 -6.1360 -6.1360 -6.0516 -6.0516 -6.0511 -6.0494 1.0974 1.1047 1.1047 1.1174 1.4913 1.4913 2.6611 2.6611 2.7672 2.7672 2.7908 2.7968 3.2472 3.2472 3.3200 3.3342 3.3722 3.3722 3.6603 3.6603 3.6831 3.7270 3.7270 3.7499 3.9566 3.9566 3.9591 3.9761 4.3734 4.3734 4.4238 4.5244 4.5244 4.5283 4.6218 4.6218 4.6769 4.6769 4.7342 4.7589 4.9800 4.9800 5.0582 5.0700 5.0700 5.1414 5.2725 5.2725 5.9833 5.9833 6.2569 6.2604 6.2747 6.2747 8.2922 8.2922 8.4834 8.5021 8.5021 8.5686 8.7286 8.7286 8.7476 8.8756 9.1621 9.1621 11.9427 11.9427 k = 0.1020 0.1020 0.1020 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7032 -25.7032 -25.7032 -25.7032 -7.0615 -7.0615 -6.1406 -6.1406 -6.0566 -6.0566 -6.0559 -6.0541 1.1148 1.1226 1.1226 1.1372 1.5087 1.5087 2.6398 2.6398 2.7685 2.7685 2.7933 2.7998 3.2332 3.2332 3.3020 3.3142 3.3635 3.3635 3.6448 3.6448 3.6752 3.7110 3.7110 3.7439 3.9728 3.9728 3.9767 3.9948 4.3656 4.3656 4.4086 4.5201 4.5201 4.5213 4.6130 4.6130 4.6780 4.6780 4.7438 4.7675 4.9815 4.9815 5.0402 5.0645 5.0645 5.1319 5.2958 5.2958 5.9278 5.9278 6.2528 6.2562 6.2691 6.2691 8.2941 8.2941 8.4900 8.5177 8.5177 8.5789 8.7505 8.7505 8.7720 8.9071 9.2451 9.2451 11.9479 11.9479 k = 0.1122 0.1122 0.1122 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3548 -34.3548 -25.7033 -25.7033 -25.7033 -25.7033 -7.0485 -7.0485 -6.1456 -6.1456 -6.0621 -6.0621 -6.0611 -6.0591 1.1336 1.1418 1.1418 1.1585 1.5275 1.5275 2.6161 2.6161 2.7703 2.7703 2.7962 2.8029 3.2178 3.2178 3.2830 3.2925 3.3544 3.3544 3.6276 3.6276 3.6680 3.6950 3.6950 3.7380 3.9887 3.9887 3.9940 4.0139 4.3578 4.3578 4.3934 4.5140 4.5150 4.5150 4.6040 4.6040 4.6801 4.6801 4.7535 4.7760 4.9827 4.9827 5.0229 5.0597 5.0597 5.1227 5.3215 5.3215 5.8709 5.8709 6.2478 6.2510 6.2627 6.2627 8.2990 8.2990 8.4969 8.5331 8.5331 8.5890 8.7747 8.7747 8.7985 8.9398 9.3277 9.3277 11.9509 11.9509 k = 0.1224 0.1224 0.1224 ( 6487 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7033 -25.7033 -25.7033 -25.7033 -7.0344 -7.0344 -6.1510 -6.1510 -6.0679 -6.0679 -6.0666 -6.0646 1.1537 1.1623 1.1623 1.1812 1.5474 1.5474 2.5903 2.5903 2.7725 2.7725 2.7993 2.8061 3.2012 3.2012 3.2632 3.2694 3.3449 3.3449 3.6082 3.6082 3.6613 3.6796 3.6796 3.7322 4.0040 4.0040 4.0110 4.0332 4.3501 4.3501 4.3782 4.5065 4.5090 4.5090 4.5950 4.5950 4.6831 4.6831 4.7630 4.7844 4.9836 4.9836 5.0069 5.0556 5.0556 5.1142 5.3492 5.3492 5.8131 5.8131 6.2419 6.2449 6.2554 6.2554 8.3070 8.3070 8.5040 8.5484 8.5484 8.5991 8.8009 8.8009 8.8265 8.9733 9.4089 9.4089 11.9516 11.9516 k = 0.1327 0.1327 0.1327 ( 6472 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7034 -25.7034 -25.7033 -25.7033 -7.0192 -7.0192 -6.1567 -6.1567 -6.0741 -6.0741 -6.0726 -6.0703 1.1750 1.1838 1.1838 1.2051 1.5683 1.5683 2.5625 2.5625 2.7750 2.7750 2.8027 2.8095 3.1835 3.1835 3.2428 3.2454 3.3352 3.3352 3.5861 3.5861 3.6551 3.6653 3.6653 3.7265 4.0189 4.0189 4.0276 4.0525 4.3428 4.3428 4.3635 4.4991 4.5023 4.5023 4.5865 4.5865 4.6870 4.6870 4.7724 4.7928 4.9843 4.9843 4.9926 5.0522 5.0522 5.1066 5.3789 5.3789 5.7552 5.7552 6.2352 6.2379 6.2473 6.2473 8.3179 8.3179 8.5113 8.5634 8.5634 8.6091 8.8290 8.8290 8.8558 9.0076 9.4878 9.4878 11.9499 11.9499 k = 0.1429 0.1429 0.1429 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7034 -25.7034 -25.7034 -25.7034 -7.0030 -7.0030 -6.1628 -6.1628 -6.0806 -6.0806 -6.0788 -6.0764 1.1973 1.2062 1.2062 1.2301 1.5899 1.5899 2.5330 2.5330 2.7777 2.7777 2.8064 2.8130 3.1650 3.1650 3.2206 3.2219 3.3251 3.3251 3.5614 3.5614 3.6492 3.6524 3.6524 3.7206 4.0329 4.0329 4.0436 4.0717 4.3359 4.3359 4.3494 4.4922 4.4951 4.4951 4.5786 4.5786 4.6917 4.6917 4.7811 4.8011 4.9802 4.9850 4.9850 5.0496 5.0496 5.1000 5.4104 5.4104 5.6975 5.6975 6.2277 6.2300 6.2385 6.2385 8.3313 8.3313 8.5184 8.5781 8.5781 8.6192 8.8587 8.8587 8.8859 9.0422 9.5634 9.5634 11.9462 11.9462 k = 0.1531 0.1531 0.1531 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7035 -25.7035 -25.7035 -25.7035 -6.9859 -6.9859 -6.1691 -6.1691 -6.0874 -6.0874 -6.0853 -6.0828 1.2204 1.2292 1.2292 1.2560 1.6119 1.6119 2.5018 2.5018 2.7806 2.7806 2.8104 2.8165 3.1459 3.1459 3.1954 3.2008 3.3149 3.3149 3.5343 3.5343 3.6406 3.6406 3.6434 3.7145 4.0460 4.0460 4.0590 4.0905 4.3296 4.3296 4.3361 4.4857 4.4875 4.4875 4.5715 4.5715 4.6971 4.6971 4.7891 4.8092 4.9703 4.9856 4.9856 5.0474 5.0474 5.0946 5.4435 5.4435 5.6405 5.6405 6.2194 6.2212 6.2290 6.2290 8.3470 8.3470 8.5254 8.5928 8.5928 8.6292 8.8898 8.8898 8.9166 9.0771 9.6350 9.6350 11.9411 11.9411 k = 0.1633 0.1633 0.1633 ( 6481 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7035 -25.7035 -25.7035 -25.7035 -6.9678 -6.9678 -6.1756 -6.1756 -6.0944 -6.0944 -6.0920 -6.0895 1.2441 1.2527 1.2527 1.2825 1.6341 1.6341 2.4693 2.4693 2.7835 2.7835 2.8145 2.8199 3.1265 3.1265 3.1703 3.1797 3.3044 3.3044 3.5054 3.5054 3.6298 3.6298 3.6377 3.7081 4.0581 4.0581 4.0737 4.1087 4.3240 4.3240 4.3241 4.4799 4.4799 4.4799 4.5651 4.5651 4.7032 4.7032 4.7960 4.8172 4.9630 4.9864 4.9864 5.0455 5.0455 5.0903 5.4779 5.4779 5.5848 5.5848 6.2105 6.2117 6.2188 6.2188 8.3647 8.3647 8.5321 8.6074 8.6074 8.6392 8.9220 8.9220 8.9477 9.1121 9.7017 9.7017 11.9351 11.9351 k = 0.1735 0.1735 0.1735 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7036 -25.7036 -25.7036 -25.7036 -6.9490 -6.9490 -6.1824 -6.1824 -6.1017 -6.1017 -6.0990 -6.0964 1.2681 1.2764 1.2764 1.3094 1.6561 1.6561 2.4357 2.4357 2.7866 2.7866 2.8189 2.8231 3.1073 3.1073 3.1455 3.1588 3.2937 3.2937 3.4753 3.4753 3.6196 3.6196 3.6320 3.7015 4.0690 4.0690 4.0877 4.1259 4.3137 4.3193 4.3193 4.4726 4.4726 4.4752 4.5594 4.5594 4.7100 4.7100 4.8016 4.8251 4.9588 4.9873 4.9873 5.0437 5.0437 5.0874 5.5113 5.5113 5.5330 5.5330 6.2011 6.2017 6.2083 6.2083 8.3842 8.3842 8.5385 8.6224 8.6224 8.6488 8.9550 8.9550 8.9791 9.1471 9.7632 9.7632 11.9288 11.9288 k = 0.1837 0.1837 0.1837 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3549 -34.3549 -25.7036 -25.7036 -25.7036 -25.7036 -6.9293 -6.9293 -6.1894 -6.1894 -6.1092 -6.1092 -6.1062 -6.1035 1.2924 1.3001 1.3001 1.3366 1.6776 1.6776 2.4012 2.4012 2.7897 2.7897 2.8235 2.8261 3.0885 3.0885 3.1216 3.1384 3.2827 3.2827 3.4446 3.4446 3.6098 3.6098 3.6262 3.6944 4.0788 4.0788 4.1008 4.1417 4.3054 4.3154 4.3154 4.4656 4.4656 4.4716 4.5544 4.5544 4.7174 4.7174 4.8057 4.8328 4.9575 4.9883 4.9883 5.0419 5.0419 5.0856 5.4764 5.4764 5.5526 5.5526 6.1912 6.1914 6.1974 6.1974 8.4048 8.4048 8.5443 8.6380 8.6380 8.6582 8.9888 8.9888 9.0106 9.1820 9.8190 9.8190 11.9225 11.9225 k = 0.1939 0.1939 0.1939 ( 6475 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7037 -25.7037 -25.7037 -25.7037 -6.9090 -6.9090 -6.1965 -6.1965 -6.1168 -6.1168 -6.1135 -6.1107 1.3165 1.3235 1.3235 1.3637 1.6981 1.6981 2.3661 2.3661 2.7928 2.7928 2.8283 2.8286 3.0706 3.0706 3.0989 3.1188 3.2713 3.2713 3.4139 3.4139 3.6003 3.6003 3.6202 3.6869 4.0873 4.0873 4.1130 4.1555 4.2998 4.3125 4.3125 4.4594 4.4594 4.4691 4.5499 4.5499 4.7254 4.7254 4.8083 4.8403 4.9593 4.9891 4.9891 5.0400 5.0400 5.0851 5.4263 5.4263 5.5905 5.5905 6.1805 6.1814 6.1863 6.1863 8.4262 8.4262 8.5497 8.6544 8.6544 8.6672 9.0230 9.0230 9.0423 9.2166 9.8690 9.8690 11.9165 11.9165 k = 0.2041 0.2041 0.2041 ( 6469 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7037 -25.7037 -25.7037 -25.7037 -6.8880 -6.8880 -6.2037 -6.2037 -6.1245 -6.1245 -6.1209 -6.1181 1.3404 1.3463 1.3463 1.3905 1.7172 1.7172 2.3308 2.3308 2.7958 2.7958 2.8305 2.8332 3.0538 3.0538 3.0779 3.1002 3.2594 3.2594 3.3840 3.3840 3.5910 3.5910 3.6141 3.6789 4.0947 4.0947 4.1245 4.1668 4.2975 4.3103 4.3103 4.4539 4.4539 4.4679 4.5459 4.5459 4.7339 4.7339 4.8094 4.8477 4.9639 4.9894 4.9894 5.0382 5.0382 5.0858 5.3786 5.3786 5.6298 5.6298 6.1698 6.1715 6.1753 6.1753 8.4479 8.4479 8.5546 8.6721 8.6721 8.6756 9.0575 9.0575 9.0740 9.2510 9.9132 9.9132 11.9106 11.9106 k = 0.2143 0.2143 0.2143 ( 6457 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7038 -25.7038 -25.7038 -25.7038 -6.8664 -6.8664 -6.2110 -6.2110 -6.1323 -6.1323 -6.1284 -6.1256 1.3637 1.3683 1.3683 1.4167 1.7342 1.7342 2.2955 2.2955 2.7987 2.7987 2.8316 2.8382 3.0387 3.0387 3.0593 3.0829 3.2467 3.2467 3.3556 3.3556 3.5817 3.5817 3.6076 3.6705 4.1011 4.1011 4.1353 4.1751 4.2989 4.3090 4.3090 4.4491 4.4491 4.4680 4.5424 4.5424 4.7429 4.7429 4.8093 4.8548 4.9709 4.9885 4.9885 5.0367 5.0367 5.0876 5.3339 5.3339 5.6700 5.6700 6.1594 6.1618 6.1645 6.1645 8.4691 8.4691 8.5589 8.6835 8.6915 8.6915 9.0921 9.0921 9.1059 9.2850 9.9519 9.9519 11.9049 11.9049 k = 0.2245 0.2245 0.2245 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7039 -25.7039 -25.7038 -25.7038 -6.8443 -6.8443 -6.2183 -6.2183 -6.1401 -6.1401 -6.1360 -6.1331 1.3863 1.3892 1.3892 1.4420 1.7487 1.7487 2.2606 2.2606 2.8014 2.8014 2.8317 2.8431 3.0253 3.0253 3.0433 3.0672 3.2331 3.2331 3.3294 3.3294 3.5724 3.5724 3.6009 3.6616 4.1065 4.1065 4.1455 4.1804 4.3038 4.3083 4.3083 4.4451 4.4451 4.4691 4.5392 4.5392 4.7521 4.7521 4.8082 4.8615 4.9798 4.9853 4.9853 5.0359 5.0359 5.0903 5.2926 5.2926 5.7109 5.7109 6.1494 6.1527 6.1542 6.1542 8.4894 8.4894 8.5626 8.6907 8.7128 8.7128 9.1267 9.1267 9.1377 9.3185 9.9854 9.9854 11.8882 11.8991 k = 0.2347 0.2347 0.2347 ( 6469 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7039 -25.7039 -25.7039 -25.7039 -6.8218 -6.8218 -6.2257 -6.2257 -6.1479 -6.1479 -6.1436 -6.1407 1.4078 1.4087 1.4087 1.4662 1.7600 1.7600 2.2265 2.2265 2.8042 2.8042 2.8308 2.8481 3.0142 3.0142 3.0304 3.0534 3.2184 3.2184 3.3062 3.3062 3.5631 3.5631 3.5939 3.6522 4.1111 4.1111 4.1552 4.1835 4.3082 4.3082 4.3117 4.4419 4.4419 4.4712 4.5364 4.5364 4.7614 4.7614 4.8064 4.8677 4.9790 4.9790 4.9902 5.0364 5.0364 5.0940 5.2553 5.2553 5.7524 5.7524 6.1403 6.1443 6.1447 6.1447 8.5083 8.5083 8.5658 8.6971 8.7363 8.7363 9.1611 9.1611 9.1695 9.3515 10.0144 10.0144 11.8530 11.8831 k = 0.2449 0.2449 0.2449 ( 6469 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7040 -25.7040 -25.7040 -25.7040 -6.7990 -6.7990 -6.2331 -6.2331 -6.1557 -6.1557 -6.1512 -6.1483 1.4266 1.4266 1.4281 1.4889 1.7676 1.7676 2.1935 2.1935 2.8069 2.8069 2.8291 2.8530 3.0054 3.0054 3.0208 3.0417 3.2031 3.2031 3.2862 3.2862 3.5538 3.5538 3.5867 3.6424 4.1153 4.1153 4.1647 4.1851 4.3086 4.3086 4.3217 4.4392 4.4392 4.4742 4.5338 4.5338 4.7707 4.7707 4.8040 4.8735 4.9690 4.9690 5.0015 5.0383 5.0383 5.0983 5.2225 5.2225 5.7944 5.7944 6.1323 6.1362 6.1362 6.1371 8.5255 8.5255 8.5685 8.7028 8.7620 8.7620 9.1951 9.1951 9.2012 9.3838 10.0396 10.0396 11.8121 11.8469 k = 0.2551 0.2551 0.2551 ( 6469 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7041 -25.7041 -25.7040 -25.7040 -6.7759 -6.7759 -6.2405 -6.2405 -6.1634 -6.1634 -6.1587 -6.1558 1.4427 1.4427 1.4470 1.5099 1.7709 1.7709 2.1619 2.1619 2.8098 2.8098 2.8266 2.8579 2.9990 2.9990 3.0144 3.0322 3.1876 3.1876 3.2693 3.2693 3.5443 3.5443 3.5791 3.6322 4.1190 4.1190 4.1740 4.1860 4.3093 4.3093 4.3329 4.4371 4.4371 4.4778 4.5315 4.5315 4.7797 4.7797 4.8013 4.8786 4.9553 4.9553 5.0134 5.0410 5.0410 5.1032 5.1945 5.1945 5.8367 5.8367 6.1258 6.1291 6.1291 6.1314 8.5409 8.5409 8.5709 8.7078 8.7898 8.7898 9.2285 9.2285 9.2327 9.4153 10.0617 10.0617 11.7653 11.8050 k = 0.2653 0.2653 0.2653 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7041 -25.7041 -25.7041 -25.7041 -6.7527 -6.7527 -6.2478 -6.2478 -6.1710 -6.1710 -6.1662 -6.1633 1.4568 1.4568 1.4642 1.5289 1.7698 1.7698 2.1318 2.1318 2.8131 2.8131 2.8239 2.8627 2.9950 2.9950 3.0111 3.0252 3.1732 3.1732 3.2550 3.2550 3.5349 3.5349 3.5713 3.6217 4.1226 4.1226 4.1833 4.1869 4.3104 4.3104 4.3447 4.4354 4.4354 4.4819 4.5295 4.5295 4.7882 4.7882 4.7982 4.8830 4.9383 4.9383 5.0255 5.0440 5.0440 5.1083 5.1716 5.1716 5.8792 5.8792 6.1212 6.1238 6.1238 6.1276 8.5545 8.5545 8.5728 8.7121 8.8194 8.8194 9.2611 9.2611 9.2637 9.4457 10.0814 10.0814 11.7127 11.7571 k = 0.2755 0.2755 0.2755 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7042 -25.7042 -25.7042 -25.7042 -6.7295 -6.7295 -6.2550 -6.2550 -6.1785 -6.1785 -6.1735 -6.1707 1.4687 1.4687 1.4797 1.5457 1.7640 1.7640 2.1031 2.1031 2.8170 2.8170 2.8215 2.8675 2.9933 2.9933 3.0105 3.0206 3.1607 3.1607 3.2428 3.2428 3.5253 3.5253 3.5632 3.6108 4.1260 4.1260 4.1882 4.1928 4.3117 4.3117 4.3565 4.4339 4.4339 4.4862 4.5276 4.5276 4.7948 4.7961 4.7961 4.8866 4.9186 4.9186 5.0372 5.0464 5.0464 5.1134 5.1536 5.1536 5.9218 5.9218 6.1189 6.1205 6.1205 6.1260 8.5665 8.5665 8.5745 8.7157 8.8502 8.8502 9.2927 9.2927 9.2942 9.4750 10.0995 10.0995 11.6542 11.7032 k = 0.2857 0.2857 0.2857 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7042 -25.7042 -25.7042 -25.7042 -6.7062 -6.7062 -6.2621 -6.2621 -6.1859 -6.1859 -6.1808 -6.1780 1.4784 1.4784 1.4934 1.5603 1.7538 1.7538 2.0755 2.0755 2.8200 2.8217 2.8217 2.8723 2.9938 2.9938 3.0121 3.0184 3.1510 3.1510 3.2321 3.2321 3.5157 3.5157 3.5550 3.5998 4.1295 4.1295 4.1902 4.2026 4.3133 4.3133 4.3682 4.4325 4.4325 4.4907 4.5259 4.5259 4.7910 4.8033 4.8033 4.8894 4.8972 4.8972 5.0474 5.0474 5.0483 5.1181 5.1404 5.1404 5.9642 5.9642 6.1192 6.1196 6.1196 6.1270 8.5759 8.5771 8.5771 8.7187 8.8819 8.8819 9.3230 9.3230 9.3239 9.5027 10.1167 10.1167 11.5902 11.6434 k = 0.2959 0.2959 0.2959 ( 6463 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7043 -25.7043 -25.7043 -25.7043 -6.6832 -6.6832 -6.2690 -6.2690 -6.1930 -6.1930 -6.1878 -6.1851 1.4858 1.4858 1.5051 1.5723 1.7398 1.7398 2.0487 2.0487 2.8197 2.8273 2.8273 2.8774 2.9962 2.9962 3.0155 3.0185 3.1446 3.1446 3.2227 3.2227 3.5061 3.5061 3.5465 3.5885 4.1330 4.1330 4.1930 4.2128 4.3152 4.3152 4.3796 4.4312 4.4312 4.4952 4.5243 4.5243 4.7871 4.8094 4.8094 4.8751 4.8751 4.8914 5.0462 5.0462 5.0583 5.1221 5.1316 5.1316 6.0063 6.0063 6.1216 6.1216 6.1224 6.1310 8.5773 8.5865 8.5865 8.7212 8.9138 8.9138 9.3516 9.3516 9.3524 9.5287 10.1337 10.1337 11.5212 11.5780 k = 0.3061 0.3061 0.3061 ( 6445 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7043 -25.7043 -25.7043 -25.7043 -6.6603 -6.6603 -6.2758 -6.2758 -6.1999 -6.1999 -6.1947 -6.1921 1.4909 1.4909 1.5149 1.5819 1.7227 1.7227 2.0221 2.0221 2.8210 2.8341 2.8341 2.8828 3.0004 3.0004 3.0205 3.0206 3.1417 3.1417 3.2143 3.2143 3.4966 3.4966 3.5380 3.5771 4.1366 4.1366 4.1969 4.2235 4.3173 4.3173 4.3904 4.4299 4.4299 4.4995 4.5227 4.5227 4.7828 4.8144 4.8144 4.8535 4.8535 4.8926 5.0425 5.0425 5.0669 5.1249 5.1263 5.1263 6.0478 6.0478 6.1268 6.1268 6.1289 6.1382 8.5787 8.5950 8.5950 8.7232 8.9456 8.9456 9.3782 9.3782 9.3795 9.5525 10.1509 10.1509 11.4477 11.5078 k = 0.3163 0.3163 0.3163 ( 6433 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7044 -25.7044 -25.7043 -25.7043 -6.6378 -6.6378 -6.2824 -6.2824 -6.2066 -6.2066 -6.2014 -6.1988 1.4938 1.4938 1.5229 1.5891 1.7034 1.7034 1.9953 1.9953 2.8241 2.8419 2.8419 2.8887 3.0060 3.0060 3.0245 3.0265 3.1424 3.1424 3.2069 3.2069 3.4871 3.4871 3.5293 3.5657 4.1402 4.1402 4.2017 4.2346 4.3197 4.3197 4.4007 4.4285 4.4285 4.5037 4.5212 4.5212 4.7784 4.8163 4.8163 4.8346 4.8346 4.8929 5.0365 5.0365 5.0739 5.1235 5.1235 5.1264 6.0882 6.0882 6.1356 6.1356 6.1389 6.1488 8.5803 8.6029 8.6029 8.7249 8.9767 8.9767 9.4025 9.4025 9.4046 9.5737 10.1690 10.1690 11.3709 11.4335 k = 0.3265 0.3265 0.3265 ( 6436 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7044 -25.7044 -25.7044 -25.7044 -6.6157 -6.6157 -6.2888 -6.2888 -6.2130 -6.2130 -6.2078 -6.2054 1.4946 1.4946 1.5290 1.5939 1.6827 1.6827 1.9678 1.9678 2.8291 2.8509 2.8509 2.8951 3.0129 3.0129 3.0298 3.0334 3.1462 3.1462 3.2006 3.2006 3.4776 3.4776 3.5206 3.5542 4.1439 4.1439 4.2076 4.2462 4.3224 4.3224 4.4104 4.4269 4.4269 4.5076 4.5197 4.5197 4.7737 4.8061 4.8061 4.8281 4.8281 4.8925 5.0288 5.0288 5.0790 5.1219 5.1219 5.1261 6.1258 6.1258 6.1500 6.1500 6.1524 6.1629 8.5821 8.6102 8.6102 8.7263 9.0068 9.0068 9.4240 9.4240 9.4274 9.5919 10.1881 10.1881 11.2917 11.3563 k = 0.3367 0.3367 0.3367 ( 6437 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7045 -25.7045 -25.7045 -25.7045 -6.5942 -6.5942 -6.2950 -6.2950 -6.2191 -6.2191 -6.2140 -6.2116 1.4934 1.4934 1.5335 1.5965 1.6615 1.6615 1.9396 1.9396 2.8359 2.8608 2.8608 2.9021 3.0207 3.0207 3.0364 3.0410 3.1523 3.1523 3.1958 3.1958 3.4683 3.4683 3.5118 3.5428 4.1476 4.1476 4.2145 4.2584 4.3254 4.3254 4.4195 4.4250 4.4250 4.5111 4.5180 4.5180 4.7688 4.7890 4.7890 4.8294 4.8294 4.8913 5.0197 5.0197 5.0820 5.1204 5.1204 5.1240 6.1536 6.1536 6.1695 6.1767 6.1767 6.1806 8.5843 8.6173 8.6173 8.7277 9.0355 9.0355 9.4422 9.4422 9.4473 9.6065 10.2087 10.2087 11.2116 11.2776 k = 0.3469 0.3469 0.3469 ( 6437 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7045 -25.7045 -25.7045 -25.7045 -6.5734 -6.5734 -6.3009 -6.3009 -6.2248 -6.2248 -6.2200 -6.2177 1.4904 1.4904 1.5365 1.5972 1.6404 1.6404 1.9106 1.9106 2.8444 2.8715 2.8715 2.9097 3.0294 3.0294 3.0438 3.0489 3.1588 3.1588 3.1941 3.1941 3.4592 3.4592 3.5032 3.5315 4.1512 4.1512 4.2224 4.2710 4.3287 4.3287 4.4230 4.4230 4.4280 4.5142 4.5163 4.5163 4.7638 4.7726 4.7726 4.8312 4.8312 4.8893 5.0099 5.0099 5.0830 5.1182 5.1182 5.1199 6.1745 6.1745 6.1901 6.2016 6.2124 6.2124 8.5870 8.6242 8.6242 8.7290 9.0627 9.0627 9.4568 9.4568 9.4637 9.6170 10.2308 10.2308 11.1318 11.1989 k = 0.3571 0.3571 0.3571 ( 6425 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7046 -25.7046 -25.7046 -25.7046 -6.5532 -6.5532 -6.3066 -6.3066 -6.2303 -6.2303 -6.2256 -6.2234 1.4858 1.4858 1.5382 1.5960 1.6201 1.6201 1.8809 1.8809 2.8544 2.8829 2.8829 2.9178 3.0387 3.0387 3.0520 3.0571 3.1626 3.1626 3.1979 3.1979 3.4504 3.4504 3.4947 3.5205 4.1548 4.1548 4.2313 4.2842 4.3324 4.3324 4.4207 4.4207 4.4359 4.5145 4.5145 4.5169 4.7581 4.7581 4.7587 4.8326 4.8326 4.8867 4.9996 4.9996 5.0819 5.1139 5.1149 5.1149 6.1965 6.1965 6.2139 6.2259 6.2490 6.2490 8.5904 8.6311 8.6311 8.7305 9.0882 9.0882 9.4672 9.4672 9.4759 9.6228 10.2546 10.2546 11.0540 11.1215 k = 0.3673 0.3673 0.3673 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7047 -25.7047 -25.7046 -25.7046 -6.5340 -6.5340 -6.3120 -6.3120 -6.2354 -6.2354 -6.2309 -6.2288 1.4797 1.4797 1.5387 1.5934 1.6011 1.6011 1.8507 1.8507 2.8655 2.8947 2.8947 2.9263 3.0483 3.0483 3.0604 3.0654 3.1623 3.1623 3.2081 3.2081 3.4420 3.4420 3.4863 3.5096 4.1580 4.1580 4.2412 4.2976 4.3364 4.3364 4.4182 4.4182 4.4432 4.5125 4.5125 4.5191 4.7457 4.7457 4.7536 4.8333 4.8333 4.8834 4.9889 4.9889 5.0790 5.1061 5.1102 5.1102 6.2208 6.2208 6.2405 6.2528 6.2847 6.2847 8.5946 8.6383 8.6383 8.7323 9.1117 9.1117 9.4729 9.4729 9.4834 9.6233 10.2800 10.2800 10.9794 11.0459 k = 0.3776 0.3776 0.3776 ( 6446 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7047 -25.7047 -25.7047 -25.7047 -6.5157 -6.5157 -6.3172 -6.3172 -6.2400 -6.2400 -6.2359 -6.2339 1.4724 1.4724 1.5383 1.5837 1.5837 1.5895 1.8203 1.8203 2.8776 2.9067 2.9067 2.9351 3.0582 3.0582 3.0691 3.0736 3.1598 3.1598 3.2222 3.2222 3.4341 3.4341 3.4783 3.4991 4.1610 4.1610 4.2520 4.3113 4.3407 4.3407 4.4155 4.4155 4.4499 4.5105 4.5105 4.5207 4.7356 4.7356 4.7488 4.8334 4.8334 4.8795 4.9784 4.9784 5.0744 5.0968 5.1040 5.1040 6.2471 6.2471 6.2696 6.2820 6.3190 6.3190 8.5999 8.6457 8.6457 8.7345 9.1333 9.1333 9.4736 9.4736 9.4856 9.6182 10.3069 10.3069 10.9097 10.9745 k = 0.3878 0.3878 0.3878 ( 6449 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7047 -25.7047 -25.7047 -25.7047 -6.4984 -6.4984 -6.3220 -6.3220 -6.2443 -6.2443 -6.2405 -6.2387 1.4643 1.4643 1.5373 1.5683 1.5683 1.5847 1.7901 1.7901 2.8904 2.9186 2.9186 2.9439 3.0682 3.0682 3.0778 3.0816 3.1565 3.1565 3.2381 3.2381 3.4268 3.4268 3.4705 3.4891 4.1636 4.1636 4.2637 4.3251 4.3453 4.3453 4.4128 4.4128 4.4561 4.5083 4.5083 4.5217 4.7278 4.7278 4.7442 4.8328 4.8328 4.8748 4.9681 4.9681 5.0684 5.0862 5.0965 5.0965 6.2752 6.2752 6.3004 6.3129 6.3517 6.3517 8.6062 8.6536 8.6536 8.7372 9.1528 9.1528 9.4690 9.4690 9.4820 9.6069 10.3353 10.3353 10.8460 10.9087 k = 0.3980 0.3980 0.3980 ( 6449 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7048 -25.7048 -25.7048 -25.7048 -6.4823 -6.4823 -6.3266 -6.3266 -6.2482 -6.2482 -6.2448 -6.2431 1.4555 1.4555 1.5357 1.5550 1.5550 1.5792 1.7604 1.7604 2.9035 2.9303 2.9303 2.9527 3.0781 3.0781 3.0862 3.0893 3.1531 3.1531 3.2543 3.2543 3.4205 3.4205 3.4632 3.4795 4.1657 4.1657 4.2761 4.3389 4.3501 4.3501 4.4100 4.4100 4.4617 4.5060 4.5060 4.5220 4.7222 4.7222 4.7402 4.8313 4.8313 4.8695 4.9584 4.9584 5.0614 5.0747 5.0878 5.0878 6.3042 6.3042 6.3324 6.3447 6.3826 6.3826 8.6138 8.6621 8.6621 8.7405 9.1703 9.1703 9.4591 9.4591 9.4726 9.5896 10.3648 10.3648 10.7894 10.8492 k = 0.4082 0.4082 0.4082 ( 6455 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7048 -25.7048 -25.7048 -25.7048 -6.4674 -6.4674 -6.3309 -6.3309 -6.2517 -6.2517 -6.2487 -6.2472 1.4466 1.4466 1.5339 1.5438 1.5438 1.5733 1.7315 1.7315 2.9166 2.9416 2.9416 2.9613 3.0876 3.0876 3.0941 3.0965 3.1499 3.1499 3.2699 3.2699 3.4154 3.4154 3.4563 3.4705 4.1674 4.1674 4.2892 4.3524 4.3551 4.3551 4.4073 4.4073 4.4668 4.5038 4.5038 4.5215 4.7188 4.7188 4.7369 4.8288 4.8288 4.8634 4.9496 4.9496 5.0536 5.0627 5.0779 5.0779 6.3336 6.3336 6.3648 6.3768 6.4115 6.4115 8.6228 8.6712 8.6712 8.7443 9.1856 9.1856 9.4441 9.4441 9.4575 9.5664 10.3953 10.3953 10.7405 10.7969 k = 0.4184 0.4184 0.4184 ( 6461 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7048 -6.4537 -6.4537 -6.3349 -6.3349 -6.2548 -6.2548 -6.2522 -6.2508 1.4377 1.4377 1.5320 1.5348 1.5348 1.5671 1.7036 1.7036 2.9296 2.9522 2.9522 2.9695 3.0967 3.0967 3.1014 3.1031 3.1469 3.1469 3.2841 3.2841 3.4118 3.4118 3.4499 3.4621 4.1687 4.1687 4.3028 4.3599 4.3599 4.3653 4.4048 4.4048 4.4713 4.5016 4.5016 4.5201 4.7172 4.7172 4.7346 4.8252 4.8252 4.8565 4.9423 4.9423 5.0453 5.0507 5.0673 5.0673 6.3624 6.3624 6.3969 6.4084 6.4382 6.4382 8.6334 8.6810 8.6810 8.7487 9.1986 9.1986 9.4248 9.4248 9.4374 9.5381 10.4263 10.4263 10.6997 10.7518 k = 0.4286 0.4286 0.4286 ( 6482 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7049 -25.7049 -25.7049 -25.7049 -6.4414 -6.4414 -6.3387 -6.3387 -6.2574 -6.2574 -6.2553 -6.2541 1.4294 1.4294 1.5279 1.5279 1.5301 1.5610 1.6772 1.6772 2.9421 2.9621 2.9621 2.9770 3.1050 3.1050 3.1080 3.1090 3.1444 3.1444 3.2960 3.2960 3.4101 3.4101 3.4442 3.4544 4.1694 4.1694 4.3168 4.3645 4.3645 4.3773 4.4028 4.4028 4.4752 4.4995 4.4995 4.5179 4.7174 4.7174 4.7335 4.8203 4.8203 4.8486 4.9365 4.9365 5.0370 5.0391 5.0562 5.0562 6.3900 6.3900 6.4280 6.4387 6.4627 6.4627 8.6454 8.6914 8.6914 8.7534 9.2092 9.2092 9.4024 9.4024 9.4134 9.5058 10.4575 10.4575 10.6667 10.7140 k = 0.4388 0.4388 0.4388 ( 6476 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7049 -6.4304 -6.4304 -6.3421 -6.3421 -6.2596 -6.2596 -6.2580 -6.2569 1.4218 1.4218 1.5231 1.5231 1.5285 1.5550 1.6525 1.6525 2.9538 2.9711 2.9711 2.9838 3.1124 3.1124 3.1137 3.1142 3.1424 3.1424 3.3052 3.3052 3.4104 3.4104 3.4391 3.4476 4.1699 4.1699 4.3310 4.3688 4.3688 4.3882 4.4013 4.4013 4.4787 4.4977 4.4977 4.5148 4.7192 4.7192 4.7339 4.8142 4.8142 4.8398 4.9327 4.9327 5.0284 5.0289 5.0449 5.0449 6.4155 6.4155 6.4571 6.4668 6.4847 6.4847 8.6589 8.7023 8.7023 8.7580 9.2171 9.2171 9.3785 9.3785 9.3873 9.4707 10.4881 10.4881 10.6412 10.6831 k = 0.4490 0.4490 0.4490 ( 6458 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7049 -6.4209 -6.4209 -6.3453 -6.3453 -6.2614 -6.2614 -6.2603 -6.2594 1.4152 1.4152 1.5203 1.5203 1.5272 1.5494 1.6297 1.6297 2.9647 2.9790 2.9790 2.9897 3.1185 3.1187 3.1187 3.1187 3.1410 3.1410 3.3115 3.3115 3.4126 3.4126 3.4349 3.4417 4.1700 4.1700 4.3452 4.3723 4.3723 4.3974 4.4006 4.4006 4.4817 4.4961 4.4961 4.5111 4.7224 4.7224 4.7361 4.8070 4.8070 4.8300 4.9307 4.9307 5.0191 5.0212 5.0338 5.0338 6.4381 6.4381 6.4836 6.4921 6.5042 6.5042 8.6737 8.7133 8.7133 8.7622 9.2218 9.2218 9.3552 9.3552 9.3610 9.4347 10.5175 10.5175 10.6224 10.6587 k = 0.4592 0.4592 0.4592 ( 6452 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7049 -6.4129 -6.4129 -6.3481 -6.3481 -6.2628 -6.2628 -6.2621 -6.2614 1.4097 1.4097 1.5196 1.5196 1.5264 1.5442 1.6091 1.6091 2.9744 2.9856 2.9856 2.9943 3.1223 3.1224 3.1234 3.1234 3.1404 3.1404 3.3153 3.3153 3.4160 3.4160 3.4314 3.4367 4.1699 4.1699 4.3590 4.3748 4.3748 4.4006 4.4006 4.4045 4.4842 4.4947 4.4947 4.5068 4.7267 4.7267 4.7401 4.7990 4.7990 4.8194 4.9304 4.9304 5.0114 5.0144 5.0233 5.0233 6.4573 6.4573 6.5066 6.5138 6.5209 6.5209 8.6895 8.7241 8.7241 8.7651 9.2227 9.2227 9.3350 9.3350 9.3370 9.3995 10.5446 10.5446 10.6094 10.6399 k = 0.4694 0.4694 0.4694 ( 6449 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4064 -6.4064 -6.3505 -6.3505 -6.2639 -6.2639 -6.2635 -6.2630 1.4054 1.4054 1.5209 1.5209 1.5262 1.5395 1.5910 1.5910 2.9827 2.9910 2.9910 2.9977 3.1251 3.1253 3.1265 3.1265 3.1407 3.1407 3.3173 3.3173 3.4199 3.4199 3.4287 3.4326 4.1697 4.1697 4.3722 4.3764 4.3764 4.4012 4.4012 4.4089 4.4863 4.4935 4.4935 4.5023 4.7319 4.7319 4.7459 4.7906 4.7906 4.8080 4.9313 4.9313 5.0055 5.0086 5.0139 5.0139 6.4725 6.4725 6.5256 6.5311 6.5344 6.5344 8.7058 8.7338 8.7338 8.7659 9.2197 9.2197 9.3174 9.3199 9.3199 9.3671 10.5680 10.5680 10.6014 10.6262 k = 0.4796 0.4796 0.4796 ( 6476 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.4016 -6.4016 -6.3524 -6.3524 -6.2647 -6.2647 -6.2645 -6.2642 1.4024 1.4024 1.5238 1.5238 1.5266 1.5355 1.5758 1.5758 2.9895 2.9948 2.9948 2.9994 3.1271 3.1273 3.1280 3.1280 3.1416 3.1416 3.3182 3.3182 3.4232 3.4232 3.4269 3.4295 4.1694 4.1694 4.3772 4.3772 4.3842 4.4019 4.4019 4.4102 4.4880 4.4926 4.4926 4.4981 4.7374 4.7374 4.7535 4.7825 4.7825 4.7962 4.9329 4.9329 5.0014 5.0039 5.0062 5.0062 6.4835 6.4835 6.5399 6.5436 6.5444 6.5444 8.7217 8.7418 8.7418 8.7637 9.2143 9.2143 9.3046 9.3106 9.3106 9.3393 10.5862 10.5862 10.5976 10.6156 k = 0.4898 0.4898 0.4898 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3986 -6.3986 -6.3537 -6.3537 -6.2651 -6.2651 -6.2651 -6.2649 1.4005 1.4005 1.5276 1.5276 1.5278 1.5322 1.5647 1.5647 2.9946 2.9972 2.9972 2.9996 3.1282 3.1284 3.1286 3.1286 3.1425 3.1425 3.3185 3.3185 3.4255 3.4255 3.4261 3.4274 4.1692 4.1692 4.3776 4.3776 4.3946 4.4026 4.4026 4.4082 4.4898 4.4921 4.4921 4.4946 4.7424 4.7424 4.7627 4.7760 4.7760 4.7845 4.9343 4.9343 4.9994 5.0008 5.0010 5.0010 6.4901 6.4901 6.5490 6.5506 6.5506 6.5509 8.7364 8.7470 8.7470 8.7581 9.2093 9.2093 9.3000 9.3059 9.3059 9.3180 10.5972 10.5972 10.5974 10.6065 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3975 -6.3975 -6.3541 -6.3541 -6.2652 -6.2652 -6.2652 -6.2652 1.3999 1.3999 1.5296 1.5296 1.5296 1.5296 1.5602 1.5602 2.9980 2.9980 2.9980 2.9980 3.1287 3.1287 3.1287 3.1287 3.1429 3.1429 3.3185 3.3185 3.4263 3.4263 3.4263 3.4263 4.1692 4.1692 4.3777 4.3777 4.4028 4.4028 4.4028 4.4028 4.4919 4.4919 4.4919 4.4919 4.7446 4.7446 4.7732 4.7732 4.7732 4.7732 4.9349 4.9349 4.9992 4.9992 4.9992 4.9992 6.4924 6.4924 6.5527 6.5527 6.5527 6.5527 8.7488 8.7488 8.7488 8.7488 9.2073 9.2073 9.3046 9.3046 9.3046 9.3046 10.6005 10.6005 10.6005 10.6005 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3975 -6.3975 -6.3541 -6.3541 -6.2652 -6.2652 -6.2652 -6.2652 1.3999 1.3999 1.5296 1.5296 1.5296 1.5296 1.5602 1.5602 2.9980 2.9980 2.9980 2.9980 3.1287 3.1287 3.1287 3.1287 3.1429 3.1429 3.3185 3.3185 3.4263 3.4263 3.4263 3.4263 4.1692 4.1692 4.3777 4.3777 4.4028 4.4028 4.4028 4.4028 4.4919 4.4919 4.4919 4.4919 4.7446 4.7446 4.7732 4.7732 4.7732 4.7732 4.9349 4.9349 4.9992 4.9992 4.9992 4.9992 6.4924 6.4924 6.5527 6.5527 6.5527 6.5527 8.7488 8.7488 8.7488 8.7488 9.2073 9.2073 9.3046 9.3046 9.3046 9.3046 10.6005 10.6005 10.6005 10.6005 k = 0.4875 0.5000 0.4875 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3986 -6.3985 -6.3537 -6.3536 -6.2652 -6.2651 -6.2650 -6.2649 1.4005 1.4005 1.5267 1.5281 1.5282 1.5321 1.5646 1.5647 2.9947 2.9965 2.9978 2.9995 3.1280 3.1282 3.1287 3.1288 3.1424 3.1426 3.3184 3.3185 3.4253 3.4257 3.4261 3.4273 4.1692 4.1692 4.3776 4.3776 4.3949 4.4007 4.4042 4.4081 4.4898 4.4915 4.4926 4.4945 4.7421 4.7425 4.7633 4.7731 4.7785 4.7842 4.9343 4.9344 4.9993 5.0005 5.0009 5.0014 6.4901 6.4901 6.5489 6.5504 6.5505 6.5513 8.7366 8.7443 8.7497 8.7579 9.2092 9.2095 9.3001 9.3040 9.3082 9.3175 10.5959 10.5976 10.5994 10.6056 k = 0.4750 0.5000 0.4750 ( 6474 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.4016 -6.4014 -6.3527 -6.3522 -6.2652 -6.2647 -6.2642 -6.2640 1.4023 1.4024 1.5221 1.5247 1.5277 1.5355 1.5755 1.5760 2.9897 2.9935 2.9961 2.9993 3.1259 3.1266 3.1284 3.1291 3.1413 3.1422 3.3178 3.3185 3.4227 3.4241 3.4268 3.4291 4.1694 4.1694 4.3772 4.3772 4.3848 4.3983 4.4044 4.4109 4.4880 4.4916 4.4936 4.4981 4.7360 4.7379 4.7554 4.7773 4.7872 4.7959 4.9326 4.9332 5.0011 5.0033 5.0064 5.0068 6.4834 6.4835 6.5394 6.5425 6.5445 6.5461 8.7213 8.7372 8.7463 8.7642 9.2133 9.2160 9.3038 9.3082 9.3139 9.3385 10.5846 10.5928 10.5971 10.6080 k = 0.4625 0.5000 0.4625 ( 6444 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4065 -6.4059 -6.3513 -6.3499 -6.2652 -6.2640 -6.2627 -6.2625 1.4052 1.4057 1.5180 1.5219 1.5281 1.5399 1.5901 1.5914 2.9831 2.9891 2.9928 2.9975 3.1218 3.1238 3.1273 3.1293 3.1398 3.1427 3.3162 3.3186 3.4185 3.4219 3.4285 3.4318 4.1697 4.1698 4.3723 4.3765 4.3773 4.3957 4.4025 4.4122 4.4861 4.4922 4.4946 4.5025 4.7284 4.7326 4.7497 4.7833 4.7976 4.8075 4.9306 4.9323 5.0047 5.0074 5.0145 5.0149 6.4720 6.4723 6.5245 6.5292 6.5351 6.5375 8.7036 8.7284 8.7390 8.7682 9.2170 9.2262 9.3132 9.3206 9.3207 9.3665 10.5682 10.5800 10.5989 10.6098 k = 0.4500 0.5000 0.4500 ( 6456 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4130 -6.4119 -6.3499 -6.3470 -6.2654 -6.2628 -6.2606 -6.2605 1.4091 1.4102 1.5154 1.5207 1.5297 1.5453 1.6076 1.6097 2.9750 2.9832 2.9881 2.9941 3.1158 3.1195 3.1251 3.1285 3.1391 3.1443 3.3128 3.3186 3.4127 3.4197 3.4311 3.4352 4.1698 4.1701 4.3595 4.3751 4.3759 4.3932 4.3979 4.4133 4.4839 4.4929 4.4955 4.5072 4.7206 4.7271 4.7463 4.7900 4.8086 4.8185 4.9289 4.9322 5.0101 5.0128 5.0235 5.0253 6.4558 6.4565 6.5048 6.5110 6.5226 6.5257 8.6846 8.7184 8.7289 8.7702 9.2181 9.2392 9.3264 9.3277 9.3418 9.3995 10.5488 10.5629 10.6025 10.6130 k = 0.4375 0.5000 0.4375 ( 6456 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7049 -6.4208 -6.4191 -6.3486 -6.3434 -6.2658 -6.2612 -6.2580 -6.2579 1.4141 1.4160 1.5143 1.5214 1.5323 1.5517 1.6273 1.6305 2.9656 2.9762 2.9821 2.9895 3.1079 3.1136 3.1218 3.1261 3.1398 3.1469 3.3070 3.3180 3.4058 3.4183 3.4347 3.4394 4.1698 4.1703 4.3458 4.3730 4.3740 4.3910 4.3913 4.4145 4.4815 4.4938 4.4964 4.5117 4.7134 4.7218 4.7450 4.7969 4.8198 4.8288 4.9282 4.9335 5.0175 5.0194 5.0330 5.0370 6.4349 6.4360 6.4812 6.4888 6.5074 6.5112 8.6655 8.7077 8.7171 8.7705 9.2161 9.2542 9.3343 9.3433 9.3686 9.4357 10.5287 10.5437 10.6082 10.6181 k = 0.4250 0.5000 0.4250 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7049 -6.4298 -6.4275 -6.3476 -6.3395 -6.2665 -6.2590 -6.2548 -6.2545 1.4200 1.4231 1.5147 1.5238 1.5362 1.5593 1.6490 1.6536 2.9550 2.9680 2.9750 2.9837 3.0985 3.1061 3.1173 3.1226 3.1418 3.1504 3.2982 3.3163 3.3984 3.4184 3.4393 3.4444 4.1695 4.1703 4.3318 4.3700 4.3712 4.3825 4.3903 4.4161 4.4791 4.4947 4.4974 4.5157 4.7073 4.7170 4.7455 4.8036 4.8303 4.8385 4.9285 4.9362 5.0269 5.0272 5.0425 5.0495 6.4097 6.4112 6.4545 6.4632 6.4898 6.4942 8.6471 8.6963 8.7050 8.7691 9.2112 9.2699 9.3399 9.3630 9.3976 9.4730 10.5094 10.5243 10.6162 10.6254 k = 0.4125 0.5000 0.4125 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7049 -25.7048 -6.4398 -6.4370 -6.3470 -6.3353 -6.2675 -6.2564 -6.2509 -6.2505 1.4267 1.4311 1.5166 1.5278 1.5414 1.5679 1.6724 1.6786 2.9435 2.9589 2.9669 2.9769 3.0880 3.0973 3.1120 3.1182 3.1446 3.1544 3.2863 3.3126 3.3916 3.4201 3.4448 3.4502 4.1688 4.1698 4.3181 4.3655 4.3676 4.3737 4.3900 4.4179 4.4766 4.4956 4.4983 4.5190 4.7026 4.7127 4.7477 4.8101 4.8392 4.8484 4.9299 4.9404 5.0362 5.0380 5.0516 5.0624 6.3808 6.3826 6.4256 6.4349 6.4699 6.4748 8.6300 8.6847 8.6933 8.7663 9.2035 9.2850 9.3441 9.3842 9.4262 9.5095 10.4923 10.5064 10.6271 10.6353 k = 0.4000 0.5000 0.4000 ( 6462 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7048 -25.7048 -6.4507 -6.4475 -6.3468 -6.3308 -6.2686 -6.2533 -6.2465 -6.2458 1.4342 1.4398 1.5200 1.5333 1.5479 1.5778 1.6971 1.7054 2.9311 2.9489 2.9580 2.9694 3.0767 3.0874 3.1059 3.1134 3.1478 3.1588 3.2715 3.3057 3.3865 3.4235 3.4513 3.4567 4.1675 4.1686 4.3050 4.3580 4.3636 4.3668 4.3902 4.4200 4.4742 4.4964 4.4993 4.5215 4.6993 4.7092 4.7512 4.8163 4.8461 4.8589 4.9322 4.9459 5.0461 5.0501 5.0598 5.0758 6.3492 6.3510 6.3950 6.4046 6.4477 6.4531 8.6145 8.6730 8.6826 8.7623 9.1928 9.2975 9.3471 9.4054 9.4526 9.5437 10.4786 10.4913 10.6416 10.6487 k = 0.3875 0.5000 0.3875 ( 6470 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7048 -25.7048 -6.4624 -6.4589 -6.3472 -6.3264 -6.2698 -6.2496 -6.2413 -6.2405 1.4423 1.4488 1.5249 1.5400 1.5558 1.5888 1.7230 1.7335 2.9182 2.9384 2.9484 2.9612 3.0648 3.0765 3.0992 3.1081 3.1513 3.1635 3.2541 3.2950 3.3839 3.4285 3.4586 3.4639 4.1654 4.1664 4.2929 4.3484 4.3592 4.3616 4.3908 4.4223 4.4720 4.4971 4.5001 4.5233 4.6975 4.7064 4.7559 4.8219 4.8516 4.8692 4.9351 4.9523 5.0567 5.0619 5.0673 5.0905 6.3158 6.3174 6.3633 6.3728 6.4234 6.4291 8.6009 8.6614 8.6731 8.7574 9.1792 9.3046 9.3499 9.4251 9.4752 9.5741 10.4691 10.4801 10.6605 10.6662 k = 0.3750 0.5000 0.3750 ( 6450 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7049 -25.7049 -25.7047 -25.7047 -6.4749 -6.4710 -6.3481 -6.3222 -6.2708 -6.2454 -6.2356 -6.2346 1.4509 1.4575 1.5317 1.5477 1.5652 1.6012 1.7497 1.7628 2.9047 2.9273 2.9383 2.9527 3.0526 3.0649 3.0922 3.1025 3.1551 3.1686 3.2348 3.2805 3.3840 3.4348 3.4666 3.4716 4.1622 4.1630 4.2822 4.3385 4.3549 4.3568 4.3914 4.4248 4.4700 4.4977 4.5008 4.5244 4.6975 4.7046 4.7616 4.8271 4.8563 4.8790 4.9385 4.9594 5.0659 5.0720 5.0756 5.1071 6.2816 6.2829 6.3309 6.3400 6.3970 6.4028 8.5892 8.6500 8.6651 8.7517 9.1624 9.3039 9.3533 9.4417 9.4935 9.6001 10.4643 10.4737 10.6844 10.6885 k = 0.3625 0.5000 0.3625 ( 6458 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7049 -25.7049 -25.7046 -25.7046 -6.4879 -6.4840 -6.3496 -6.3187 -6.2712 -6.2406 -6.2293 -6.2282 1.4596 1.4654 1.5406 1.5565 1.5760 1.6147 1.7768 1.7928 2.8909 2.9159 2.9278 2.9437 3.0402 3.0526 3.0850 3.0966 3.1591 3.1739 3.2142 3.2629 3.3863 3.4422 3.4754 3.4799 4.1578 4.1579 4.2732 4.3291 4.3505 4.3522 4.3919 4.4272 4.4685 4.4981 4.5013 4.5248 4.6992 4.7037 4.7681 4.8316 4.8606 4.8877 4.9422 4.9667 5.0707 5.0793 5.0874 5.1258 6.2475 6.2484 6.2982 6.3067 6.3685 6.3743 8.5794 8.6391 8.6585 8.7454 9.1427 9.2951 9.3565 9.4538 9.5072 9.6211 10.4644 10.4723 10.7139 10.7163 k = 0.3500 0.5000 0.3500 ( 6448 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7048 -25.7048 -25.7046 -25.7046 -6.5015 -6.4975 -6.3517 -6.3164 -6.2705 -6.2352 -6.2224 -6.2213 1.4682 1.4719 1.5517 1.5661 1.5881 1.6294 1.8040 1.8232 2.8768 2.9043 2.9170 2.9345 3.0281 3.0400 3.0780 3.0902 3.1632 3.1794 3.1933 3.2429 3.3903 3.4505 3.4848 3.4887 4.1512 4.1520 4.2660 4.3207 4.3463 4.3479 4.3922 4.4296 4.4674 4.4985 4.5016 4.5247 4.7026 4.7040 4.7755 4.8355 4.8648 4.8953 4.9463 4.9739 5.0719 5.0836 5.1018 5.1465 6.2143 6.2146 6.2656 6.2732 6.3383 6.3439 8.5715 8.6287 8.6532 8.7388 9.1203 9.2795 9.3574 9.4604 9.5166 9.6368 10.4694 10.4763 10.7495 10.7501 k = 0.3375 0.5000 0.3375 ( 6448 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7048 -25.7048 -25.7045 -25.7045 -6.5156 -6.5115 -6.3544 -6.3158 -6.2682 -6.2293 -6.2150 -6.2139 1.4764 1.4768 1.5648 1.5767 1.6015 1.6451 1.8310 1.8535 2.8626 2.8928 2.9060 2.9252 3.0162 3.0272 3.0713 3.0825 3.1656 3.1752 3.1851 3.2214 3.3956 3.4597 3.4948 3.4979 4.1430 4.1449 4.2605 4.3134 4.3423 4.3439 4.3919 4.4319 4.4669 4.4986 4.5018 4.5240 4.7053 4.7076 4.7836 4.8386 4.8690 4.9013 4.9509 4.9805 5.0703 5.0850 5.1178 5.1685 6.1820 6.1824 6.2334 6.2401 6.3065 6.3118 8.5653 8.6191 8.6487 8.7320 9.0957 9.2583 9.3546 9.4608 9.5219 9.6474 10.4792 10.4855 10.7902 10.7912 k = 0.3250 0.5000 0.3250 ( 6448 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7048 -25.7048 -25.7044 -25.7044 -6.5300 -6.5260 -6.3576 -6.3170 -6.2642 -6.2229 -6.2071 -6.2061 1.4801 1.4838 1.5798 1.5882 1.6161 1.6616 1.8575 1.8834 2.8484 2.8815 2.8949 2.9159 3.0048 3.0142 3.0651 3.0726 3.1538 3.1742 3.1907 3.1992 3.4020 3.4697 3.5053 3.5074 4.1336 4.1364 4.2565 4.3071 4.3384 4.3406 4.3911 4.4340 4.4672 4.4987 4.5018 4.5229 4.7078 4.7141 4.7924 4.8410 4.8733 4.9057 4.9561 4.9863 5.0663 5.0835 5.1348 5.1914 6.1508 6.1522 6.2019 6.2075 6.2737 6.2783 8.5606 8.6102 8.6444 8.7254 9.0697 9.2324 9.3474 9.4551 9.5233 9.6530 10.4934 10.4995 10.8366 10.8390 k = 0.3125 0.5000 0.3125 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7048 -25.7048 -25.7044 -25.7043 -6.5447 -6.5408 -6.3613 -6.3198 -6.2586 -6.2161 -6.1988 -6.1979 1.4819 1.4901 1.5960 1.6006 1.6317 1.6787 1.8830 1.9125 2.8344 2.8706 2.8839 2.9067 2.9940 3.0013 3.0590 3.0593 3.1413 3.1761 3.1787 3.1973 3.4094 3.4804 3.5163 3.5173 4.1234 4.1269 4.2536 4.3017 4.3346 4.3381 4.3896 4.4359 4.4683 4.4985 4.5017 4.5213 4.7115 4.7220 4.8020 4.8426 4.8777 4.9084 4.9618 4.9908 5.0602 5.0791 5.1530 5.2150 6.1208 6.1234 6.1717 6.1759 6.2405 6.2444 8.5571 8.6025 8.6395 8.7196 9.0432 9.2026 9.3357 9.4434 9.5210 9.6542 10.5114 10.5178 10.8890 10.8926 k = 0.3000 0.5000 0.3000 ( 6436 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7047 -25.7047 -25.7043 -25.7043 -6.5596 -6.5559 -6.3654 -6.3238 -6.2518 -6.2089 -6.1902 -6.1894 1.4823 1.4951 1.6130 1.6140 1.6481 1.6962 1.9074 1.9402 2.8207 2.8603 2.8730 2.8977 2.9837 2.9884 3.0413 3.0535 3.1342 3.1548 3.1839 3.2034 3.4175 3.4918 3.5275 3.5278 4.1127 4.1165 4.2515 4.2969 4.3310 4.3364 4.3873 4.4375 4.4702 4.4983 4.5015 4.5193 4.7163 4.7309 4.8124 4.8433 4.8821 4.9096 4.9680 4.9937 5.0527 5.0722 5.1718 5.2389 6.0913 6.0955 6.1427 6.1453 6.2080 6.2109 8.5543 8.5962 8.6325 8.7152 9.0173 9.1698 9.3197 9.4265 9.5153 9.6514 10.5327 10.5398 10.9469 10.9512 k = 0.2875 0.5000 0.2875 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7047 -25.7047 -25.7042 -25.7042 -6.5746 -6.5711 -6.3699 -6.3288 -6.2441 -6.2013 -6.1813 -6.1806 1.4814 1.4985 1.6282 1.6305 1.6653 1.7138 1.9303 1.9664 2.8075 2.8507 2.8623 2.8890 2.9740 2.9755 3.0206 3.0466 3.1323 3.1363 3.1893 3.2096 3.4264 3.5040 3.5380 3.5398 4.1018 4.1055 4.2498 4.2926 4.3273 4.3357 4.3843 4.4388 4.4728 4.4978 4.5012 4.5171 4.7219 4.7405 4.8235 4.8430 4.8865 4.9096 4.9746 4.9942 5.0448 5.0629 5.1914 5.2630 6.0610 6.0669 6.1153 6.1163 6.1777 6.1795 8.5515 8.5917 8.6219 8.7133 8.9930 9.1348 9.2996 9.4050 9.5065 9.6451 10.5566 10.5647 11.0096 11.0141 k = 0.2750 0.5000 0.2750 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7047 -25.7047 -25.7041 -25.7041 -6.5896 -6.5864 -6.3748 -6.3345 -6.2358 -6.1935 -6.1722 -6.1716 1.4793 1.5002 1.6430 1.6481 1.6828 1.7312 1.9515 1.9907 2.7951 2.8420 2.8519 2.8806 2.9622 2.9648 2.9990 3.0366 3.1230 3.1343 3.1949 3.2160 3.4361 3.5168 3.5487 3.5522 4.0910 4.0942 4.2486 4.2885 4.3238 4.3360 4.3806 4.4396 4.4762 4.4972 4.5009 4.5149 4.7282 4.7505 4.8349 4.8421 4.8905 4.9089 4.9815 4.9908 5.0386 5.0518 5.2114 5.2871 6.0285 6.0356 6.0895 6.0896 6.1512 6.1518 8.5478 8.5896 8.6065 8.7145 8.9714 9.0987 9.2760 9.3794 9.4951 9.6360 10.5823 10.5918 11.0763 11.0805 k = 0.2625 0.5000 0.2625 ( 6444 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7047 -25.7046 -25.7041 -25.7041 -6.6046 -6.6016 -6.3799 -6.3407 -6.2270 -6.1854 -6.1628 -6.1624 1.4759 1.5001 1.6583 1.6655 1.7005 1.7482 1.9710 2.0128 2.7835 2.8341 2.8419 2.8726 2.9475 2.9562 2.9789 3.0222 3.1168 3.1395 3.2007 3.2224 3.4466 3.5304 3.5597 3.5651 4.0805 4.0827 4.2474 4.2846 4.3202 4.3369 4.3762 4.4398 4.4801 4.4965 4.5006 4.5127 4.7348 4.7606 4.8383 4.8482 4.8929 4.9087 4.9826 4.9886 5.0359 5.0393 5.2318 5.3111 5.9927 5.9999 6.0654 6.0658 6.1292 6.1295 8.5424 8.5859 8.5903 8.7186 8.9534 9.0624 9.2493 9.3504 9.4816 9.6245 10.6091 10.6204 11.1461 11.1494 k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7046 -25.7046 -25.7040 -25.7040 -6.6195 -6.6167 -6.3852 -6.3472 -6.2179 -6.1773 -6.1534 -6.1531 1.4715 1.4983 1.6738 1.6826 1.7180 1.7645 1.9886 2.0326 2.7729 2.8273 2.8323 2.8652 2.9304 2.9481 2.9622 3.0040 3.1174 3.1470 3.2068 3.2288 3.4580 3.5447 3.5710 3.5786 4.0703 4.0712 4.2463 4.2808 4.3166 4.3385 4.3714 4.4394 4.4844 4.4957 4.5003 4.5107 4.7413 4.7703 4.8351 4.8599 4.8924 4.9106 4.9706 4.9953 5.0268 5.0369 5.2523 5.3347 5.9534 5.9596 6.0440 6.0441 6.1119 6.1128 8.5349 8.5606 8.5936 8.7253 8.9393 9.0272 9.2201 9.3187 9.4664 9.6111 10.6364 10.6496 11.2181 11.2198 k = 0.2375 0.5000 0.2375 ( 6442 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7046 -25.7046 -25.7039 -25.7039 -6.6341 -6.6316 -6.3906 -6.3540 -6.2085 -6.1690 -6.1439 -6.1437 1.4659 1.4948 1.6894 1.6993 1.7350 1.7798 2.0044 2.0501 2.7635 2.8215 2.8232 2.8584 2.9113 2.9406 2.9493 2.9836 3.1233 3.1566 3.2130 3.2353 3.4703 3.5599 3.5826 3.5926 4.0599 4.0607 4.2452 4.2774 4.3130 4.3405 4.3663 4.4383 4.4885 4.4954 4.5002 4.5093 4.7472 4.7788 4.8311 4.8709 4.8893 4.9146 4.9568 4.9980 5.0186 5.0408 5.2731 5.3580 5.9111 5.9158 6.0246 6.0254 6.0993 6.1007 8.5250 8.5313 8.5990 8.7342 8.9293 8.9941 9.1891 9.2848 9.4500 9.5961 10.6635 10.6788 11.2909 11.2914 k = 0.2250 0.5000 0.2250 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7046 -25.7046 -25.7038 -25.7038 -6.6485 -6.6463 -6.3960 -6.3610 -6.1990 -6.1608 -6.1344 -6.1344 1.4592 1.4897 1.7047 1.7153 1.7512 1.7940 2.0183 2.0651 2.7554 2.8144 2.8169 2.8520 2.8921 2.9333 2.9391 2.9626 3.1328 3.1676 3.2194 3.2418 3.4835 3.5757 3.5944 3.6071 4.0489 4.0516 4.2439 4.2741 4.3095 4.3427 4.3611 4.4363 4.4903 4.4973 4.5003 4.5084 4.7519 4.7844 4.8280 4.8790 4.8846 4.9195 4.9438 4.9906 5.0217 5.0472 5.2937 5.3805 5.8665 5.8693 6.0074 6.0090 6.0906 6.0921 8.4988 8.5124 8.6061 8.7448 8.9230 8.9643 9.1566 9.2493 9.4326 9.5799 10.6896 10.7072 11.3615 11.3650 k = 0.2125 0.5000 0.2125 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7045 -25.7045 -25.7038 -25.7038 -6.6626 -6.6606 -6.4015 -6.3680 -6.1895 -6.1526 -6.1250 -6.1250 1.4517 1.4831 1.7197 1.7304 1.7664 1.8068 2.0305 2.0779 2.7486 2.8059 2.8134 2.8458 2.8745 2.9262 2.9306 2.9425 3.1449 3.1796 3.2261 3.2482 3.4978 3.5922 3.6067 3.6222 4.0383 4.0431 4.2425 4.2710 4.3062 4.3449 4.3559 4.4335 4.4894 4.5006 4.5018 4.5081 4.7546 4.7845 4.8286 4.8791 4.8808 4.9243 4.9358 4.9801 5.0306 5.0558 5.3142 5.4022 5.8204 5.8211 5.9927 5.9951 6.0849 6.0863 8.4641 8.4968 8.6145 8.7566 8.9202 8.9389 9.1234 9.2129 9.4145 9.5627 10.7142 10.7343 11.4307 11.4379 k = 0.2000 0.5000 0.2000 ( 6444 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7037 -25.7037 -6.6762 -6.6744 -6.4069 -6.3751 -6.1800 -6.1446 -6.1159 -6.1157 1.4432 1.4750 1.7339 1.7447 1.7805 1.8182 2.0410 2.0885 2.7431 2.7976 2.8109 2.8390 2.8603 2.9167 2.9233 2.9261 3.1586 3.1922 3.2328 3.2545 3.5131 3.6092 3.6195 3.6380 4.0281 4.0352 4.2407 4.2683 4.3032 4.3470 4.3508 4.4300 4.4875 4.5013 4.5068 4.5084 4.7549 4.7779 4.8336 4.8727 4.8736 4.9280 4.9359 4.9719 5.0413 5.0664 5.3342 5.4226 5.7718 5.7733 5.9807 5.9839 6.0815 6.0827 8.4283 8.4778 8.6239 8.7692 8.9188 8.9202 9.0899 9.1761 9.3960 9.5448 10.7367 10.7593 11.4975 11.5092 k = 0.1875 0.5000 0.1875 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7036 -25.7036 -6.6894 -6.6878 -6.4122 -6.3821 -6.1706 -6.1367 -6.1068 -6.1066 1.4341 1.4658 1.7474 1.7578 1.7932 1.8282 2.0501 2.0971 2.7388 2.7893 2.8095 2.8305 2.8510 2.9011 2.9171 2.9178 3.1731 3.2051 3.2396 3.2607 3.5295 3.6260 3.6336 3.6545 4.0183 4.0277 4.2387 4.2658 4.3007 4.3461 4.3488 4.4258 4.4850 4.5024 4.5091 4.5120 4.7525 4.7666 4.8396 4.8616 4.8648 4.9298 4.9418 4.9689 5.0532 5.0786 5.3536 5.4415 5.7219 5.7259 5.9714 5.9756 6.0798 6.0809 8.3920 8.4554 8.6340 8.7823 8.9044 8.9225 9.0567 9.1397 9.3774 9.5263 10.7566 10.7817 11.5608 11.5778 k = 0.1750 0.5000 0.1750 ( 6446 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7045 -25.7045 -25.7036 -25.7036 -6.7020 -6.7006 -6.4173 -6.3890 -6.1613 -6.1291 -6.0981 -6.0978 1.4244 1.4555 1.7598 1.7696 1.8046 1.8366 2.0578 2.1038 2.7358 2.7811 2.8089 2.8213 2.8461 2.8851 2.9118 2.9124 3.1880 3.2178 3.2465 3.2667 3.5468 3.6412 3.6500 3.6716 4.0091 4.0208 4.2364 4.2637 4.2988 4.3417 4.3504 4.4213 4.4819 4.5038 4.5101 4.5170 4.7473 4.7525 4.8342 4.8550 4.8596 4.9307 4.9503 4.9713 5.0658 5.0919 5.3720 5.4585 5.6719 5.6786 5.9651 5.9705 6.0795 6.0803 8.3560 8.4298 8.6445 8.7953 8.8958 8.9266 9.0241 9.1044 9.3587 9.5073 10.7735 10.8009 11.6194 11.6426 k = 0.1625 0.5000 0.1625 ( 6442 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7035 -25.7035 -6.7140 -6.7128 -6.4222 -6.3957 -6.1523 -6.1219 -6.0896 -6.0893 1.4143 1.4444 1.7711 1.7801 1.8147 1.8437 2.0642 2.1088 2.7339 2.7733 2.8090 2.8129 2.8435 2.8707 2.9074 2.9079 3.2027 3.2299 3.2536 3.2725 3.5649 3.6551 3.6685 3.6893 4.0003 4.0142 4.2341 4.2618 4.2978 4.3378 4.3515 4.4167 4.4782 4.5055 4.5112 4.5217 4.7367 4.7399 4.8167 4.8427 4.8691 4.9326 4.9599 4.9773 5.0790 5.1057 5.3890 5.4729 5.6224 5.6319 5.9620 5.9686 6.0801 6.0807 8.3209 8.4016 8.6552 8.8072 8.8926 8.9320 8.9930 9.0713 9.3403 9.4880 10.7870 10.8167 11.6717 11.7021 k = 0.1500 0.5000 0.1500 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7034 -25.7034 -6.7254 -6.7244 -6.4269 -6.4023 -6.1435 -6.1150 -6.0815 -6.0811 1.4040 1.4328 1.7811 1.7892 1.8236 1.8495 2.0695 2.1122 2.7330 2.7664 2.8058 2.8094 2.8424 2.8586 2.9036 2.9041 3.2168 3.2413 3.2606 3.2780 3.5838 3.6686 3.6879 3.7075 3.9919 4.0079 4.2318 4.2603 4.2975 4.3344 4.3521 4.4120 4.4739 4.5073 4.5124 4.5260 4.7199 4.7305 4.7965 4.8284 4.8810 4.9369 4.9702 4.9854 5.0925 5.1194 5.4041 5.4842 5.5740 5.5862 5.9623 5.9702 6.0815 6.0819 8.2873 8.3717 8.6656 8.8168 8.8942 8.9382 8.9638 9.0419 9.3221 9.4684 10.7969 10.8285 11.7160 11.7547 k = 0.1375 0.5000 0.1375 ( 6452 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7034 -25.7034 -6.7361 -6.7352 -6.4312 -6.4085 -6.1351 -6.1085 -6.0738 -6.0734 1.3936 1.4209 1.7898 1.7967 1.8315 1.8542 2.0738 2.1142 2.7330 2.7607 2.7999 2.8097 2.8421 2.8491 2.9007 2.9009 3.2300 3.2516 3.2678 3.2832 3.6030 3.6820 3.7076 3.7262 3.9839 4.0016 4.2300 4.2591 4.2982 4.3315 4.3523 4.4077 4.4688 4.5087 4.5136 4.5299 4.7029 4.7200 4.7752 4.8123 4.8939 4.9436 4.9812 4.9947 5.1060 5.1325 5.4167 5.4903 5.5287 5.5420 5.9661 5.9754 6.0834 6.0835 8.2556 8.3408 8.6752 8.8223 8.8997 8.9375 8.9447 9.0182 9.3046 9.4485 10.8031 10.8362 11.7496 11.7970 k = 0.1250 0.5000 0.1250 ( 6440 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7033 -25.7033 -6.7459 -6.7452 -6.4352 -6.4145 -6.1270 -6.1026 -6.0665 -6.0661 1.3835 1.4089 1.7971 1.8027 1.8384 1.8581 2.0773 2.1150 2.7337 2.7566 2.7951 2.8092 2.8425 2.8426 2.8984 2.8985 3.2423 3.2607 3.2750 3.2881 3.6225 3.6953 3.7273 3.7451 3.9763 3.9954 4.2290 4.2583 4.2997 4.3293 4.3522 4.4038 4.4629 4.5091 4.5156 4.5334 4.6863 4.7088 4.7535 4.7952 4.9075 4.9524 4.9928 5.0049 5.1192 5.1447 5.4259 5.4721 5.5003 5.5060 5.9733 5.9837 6.0855 6.0856 8.2261 8.3098 8.6833 8.8213 8.9068 8.9166 8.9511 9.0025 9.2878 9.4286 10.8057 10.8398 11.7681 11.8202 k = 0.1125 0.5000 0.1125 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7033 -25.7033 -6.7550 -6.7544 -6.4388 -6.4201 -6.1194 -6.0972 -6.0598 -6.0594 1.3738 1.3971 1.8029 1.8074 1.8445 1.8612 2.0800 2.1147 2.7351 2.7540 2.7908 2.8074 2.8393 2.8432 2.8964 2.8969 3.2533 3.2686 3.2819 3.2926 3.6419 3.7083 3.7469 3.7640 3.9690 3.9889 4.2291 4.2577 4.3018 4.3277 4.3517 4.4001 4.4562 4.5074 4.5184 4.5363 4.6706 4.6975 4.7314 4.7771 4.9216 4.9628 5.0050 5.0157 5.1317 5.1556 5.4285 5.4307 5.4644 5.5050 5.9836 5.9949 6.0877 6.0880 8.1992 8.2793 8.6891 8.8126 8.8953 8.9215 8.9573 8.9956 9.2720 9.4085 10.8049 10.8392 11.7669 11.8073 k = 0.1000 0.5000 0.1000 ( 6482 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7033 -25.7033 -6.7633 -6.7628 -6.4421 -6.4253 -6.1124 -6.0923 -6.0537 -6.0533 1.3647 1.3857 1.8074 1.8107 1.8498 1.8638 2.0821 2.1136 2.7370 2.7529 2.7871 2.8045 2.8385 2.8441 2.8951 2.8959 3.2632 3.2755 3.2885 3.2966 3.6609 3.7209 3.7659 3.7826 3.9621 3.9820 4.2305 4.2575 4.3045 4.3269 4.3510 4.3968 4.4488 4.5036 4.5220 4.5389 4.6565 4.6863 4.7094 4.7584 4.9363 4.9745 5.0174 5.0270 5.1432 5.1649 5.3891 5.4098 5.4493 5.5035 5.9964 6.0082 6.0901 6.0905 8.1751 8.2499 8.6918 8.7973 8.8832 8.9345 8.9634 8.9960 9.2576 9.3884 10.8011 10.8348 11.7482 11.7718 k = 0.0875 0.5000 0.0875 ( 6466 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7032 -25.7032 -6.7706 -6.7702 -6.4449 -6.4301 -6.1058 -6.0881 -6.0481 -6.0478 1.3563 1.3750 1.8108 1.8131 1.8544 1.8660 2.0838 2.1118 2.7393 2.7533 2.7838 2.8012 2.8392 2.8451 2.8943 2.8954 3.2720 3.2815 3.2944 3.3002 3.6793 3.7329 3.7843 3.8006 3.9555 3.9748 4.2334 4.2576 4.3079 4.3272 4.3502 4.3939 4.4410 4.4975 4.5264 4.5413 4.6446 4.6757 4.6880 4.7394 4.9515 4.9872 5.0300 5.0387 5.1534 5.1727 5.3500 5.3773 5.4484 5.4998 6.0112 6.0228 6.0925 6.0932 8.1540 8.2222 8.6910 8.7780 8.8772 8.9490 8.9685 9.0013 9.2450 9.3684 10.7951 10.8272 11.7207 11.7335 k = 0.0750 0.5000 0.0750 ( 6470 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7044 -25.7044 -25.7032 -25.7032 -6.7771 -6.7768 -6.4472 -6.4345 -6.0999 -6.0846 -6.0432 -6.0429 1.3489 1.3650 1.8131 1.8146 1.8584 1.8678 2.0851 2.1094 2.7419 2.7547 2.7808 2.7979 2.8407 2.8459 2.8941 2.8954 3.2795 3.2867 3.2995 3.3032 3.6968 3.7438 3.8018 3.8175 3.9491 3.9671 4.2376 4.2580 4.3118 4.3286 4.3494 4.3909 4.4329 4.4888 4.5315 4.5434 4.6352 4.6658 4.6676 4.7201 4.9671 5.0005 5.0421 5.0505 5.1617 5.1786 5.3142 5.3450 5.4481 5.4941 6.0266 6.0376 6.0951 6.0960 8.1362 8.1965 8.6871 8.7572 8.8770 8.9641 8.9716 9.0096 9.2346 9.3485 10.7875 10.8170 11.6917 11.6981 k = 0.0625 0.5000 0.0625 ( 6474 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7032 -25.7032 -6.7826 -6.7823 -6.4490 -6.4384 -6.0946 -6.0818 -6.0390 -6.0387 1.3425 1.3561 1.8146 1.8155 1.8618 1.8692 2.0863 2.1068 2.7447 2.7569 2.7781 2.7947 2.8422 2.8466 2.8942 2.8957 3.2860 3.2911 3.3036 3.3058 3.7131 3.7533 3.8182 3.8331 3.9431 3.9590 4.2426 4.2586 4.3161 4.3313 4.3487 4.3879 4.4250 4.4778 4.5373 4.5455 4.6285 4.6489 4.6567 4.7008 4.9833 5.0142 5.0532 5.0620 5.1673 5.1824 5.2831 5.3156 5.4472 5.4868 6.0418 6.0513 6.0978 6.0990 8.1217 8.1734 8.6815 8.7368 8.8818 8.9721 8.9792 9.0189 9.2269 9.3289 10.7793 10.8054 11.6648 11.6676 k = 0.0500 0.5000 0.0500 ( 6478 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7871 -6.7869 -6.4503 -6.4418 -6.0900 -6.0796 -6.0355 -6.0353 1.3374 1.3483 1.8155 1.8160 1.8645 1.8702 2.0875 2.1040 2.7477 2.7595 2.7757 2.7916 2.8437 2.8471 2.8947 2.8961 3.2914 3.2948 3.3069 3.3079 3.7280 3.7611 3.8333 3.8470 3.9374 3.9506 4.2480 4.2594 4.3211 4.3356 4.3479 4.3845 4.4178 4.4649 4.5437 4.5477 4.6243 4.6329 4.6486 4.6818 5.0001 5.0277 5.0625 5.0726 5.1691 5.1838 5.2584 5.2898 5.4459 5.4786 6.0555 6.0630 6.1007 6.1024 8.1108 8.1529 8.6756 8.7179 8.8902 8.9697 8.9937 9.0276 9.2227 9.3097 10.7714 10.7933 11.6418 11.6427 k = 0.0375 0.5000 0.0375 ( 6478 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7907 -6.7905 -6.4511 -6.4448 -6.0861 -6.0783 -6.0327 -6.0326 1.3336 1.3418 1.8159 1.8162 1.8668 1.8709 2.0888 2.1013 2.7507 2.7618 2.7741 2.7885 2.8450 2.8474 2.8953 2.8965 3.2956 3.2978 3.3093 3.3095 3.7411 3.7666 3.8470 3.8586 3.9323 3.9422 4.2530 4.2602 4.3266 4.3415 4.3470 4.3806 4.4121 4.4508 4.5500 4.5501 4.6198 4.6229 4.6414 4.6636 5.0174 5.0407 5.0694 5.0809 5.1663 5.1825 5.2424 5.2686 5.4450 5.4702 6.0665 6.0718 6.1041 6.1061 8.1034 8.1355 8.6708 8.7015 8.9008 8.9647 9.0070 9.0342 9.2222 9.2913 10.7649 10.7819 11.6236 11.6236 k = 0.0250 0.5000 0.0250 ( 6470 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7932 -6.7931 -6.4514 -6.4472 -6.0829 -6.0776 -6.0307 -6.0306 1.3312 1.3367 1.8161 1.8163 1.8685 1.8712 2.0902 2.0986 2.7538 2.7627 2.7741 2.7854 2.8460 2.8476 2.8960 2.8969 3.2988 3.3000 3.3107 3.3108 3.7520 3.7695 3.8587 3.8674 3.9280 3.9344 4.2569 4.2609 4.3322 4.3459 4.3488 4.3762 4.4088 4.4366 4.5526 4.5555 4.6129 4.6225 4.6352 4.6467 5.0350 5.0525 5.0732 5.0844 5.1613 5.1781 5.2350 5.2527 5.4451 5.4622 6.0743 6.0774 6.1077 6.1096 8.0997 8.1214 8.6680 8.6881 8.9127 8.9573 9.0186 9.0379 9.2258 9.2739 10.7604 10.7720 11.6101 11.6103 k = 0.0125 0.5000 0.0125 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7947 -6.7947 -6.4512 -6.4490 -6.0804 -6.0778 -6.0295 -6.0295 1.3303 1.3331 1.8162 1.8163 1.8699 1.8712 2.0919 2.0961 2.7567 2.7616 2.7761 2.7822 2.8467 2.8475 2.8965 2.8970 3.3007 3.3012 3.3115 3.3116 3.7606 3.7695 3.8677 3.8725 3.9252 3.9283 4.2596 4.2613 4.3373 4.3442 4.3569 4.3709 4.4090 4.4237 4.5553 4.5581 4.6125 4.6239 4.6291 4.6326 5.0523 5.0624 5.0733 5.0800 5.1598 5.1712 5.2336 5.2422 5.4467 5.4554 6.0788 6.0802 6.1107 6.1119 8.0997 8.1106 8.6680 8.6779 8.9250 8.9479 9.0280 9.0380 9.2333 9.2581 10.7587 10.7646 11.6021 11.6023 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -61.4355 -61.4355 -34.3550 -34.3550 -25.7043 -25.7043 -25.7031 -25.7031 -6.7952 -6.7952 -6.4504 -6.4504 -6.0787 -6.0787 -6.0291 -6.0291 1.3309 1.3309 1.8163 1.8163 1.8707 1.8707 2.0939 2.0939 2.7594 2.7594 2.7790 2.7790 2.8472 2.8472 2.8969 2.8969 3.3015 3.3015 3.3117 3.3117 3.7665 3.7665 3.8726 3.8726 3.9250 3.9250 4.2609 4.2609 4.3413 4.3413 4.3645 4.3645 4.4140 4.4140 4.5575 4.5575 4.6191 4.6191 4.6268 4.6268 5.0680 5.0680 5.0697 5.0697 5.1640 5.1640 5.2361 5.2361 5.4501 5.4501 6.0807 6.0807 6.1123 6.1123 8.1033 8.1033 8.6712 8.6712 8.9369 8.9369 9.0346 9.0346 9.2443 9.2443 10.7601 10.7601 11.5995 11.5995 k = 0.5000 0.5000-0.0000 ( 6416 PWs) bands (ev): -61.4354 -61.4354 -34.3550 -34.3550 -25.7049 -25.7049 -25.7036 -25.7036 -6.5418 -6.5418 -6.3465 -6.3465 -6.2736 -6.2736 -6.1906 -6.1906 1.5306 1.5306 1.7522 1.7522 1.8281 1.8281 2.4259 2.4259 2.6893 2.6893 2.8384 2.8384 2.8829 2.8829 2.8842 2.8842 2.9142 2.9142 3.2877 3.2877 3.3787 3.3787 3.4159 3.4159 4.0502 4.0502 4.3268 4.3268 4.3295 4.3295 4.3944 4.3944 4.5001 4.5001 4.5144 4.5144 4.5965 4.5965 4.9310 4.9310 5.0215 5.0215 5.0324 5.0324 5.0631 5.0631 5.1550 5.1550 5.7255 5.7255 5.7555 5.7555 6.3302 6.3302 8.5739 8.5739 8.7838 8.7838 8.9722 8.9722 9.3970 9.3970 9.4585 9.4585 11.2602 11.2602 11.2727 11.2727 k = 0.5000 0.5000 0.0179 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7050 -25.7050 -25.7037 -25.7037 -6.5415 -6.5415 -6.3464 -6.3464 -6.2736 -6.2736 -6.1908 -6.1908 1.5303 1.5303 1.7511 1.7511 1.8269 1.8269 2.4177 2.4177 2.6954 2.6954 2.8395 2.8395 2.8831 2.8831 2.8852 2.8852 2.9157 2.9157 3.2873 3.2873 3.3786 3.3786 3.4161 3.4161 4.0508 4.0508 4.3258 4.3258 4.3297 4.3297 4.3950 4.3950 4.4992 4.4992 4.5146 4.5146 4.5966 4.5966 4.9299 4.9299 5.0221 5.0221 5.0321 5.0321 5.0638 5.0638 5.1546 5.1546 5.7272 5.7272 5.7570 5.7570 6.3308 6.3308 8.5711 8.5711 8.7870 8.7870 8.9728 8.9728 9.3974 9.3974 9.4593 9.4593 11.2571 11.2571 11.2696 11.2696 k = 0.5000 0.5000 0.0357 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3551 -34.3551 -25.7050 -25.7050 -25.7037 -25.7037 -6.5405 -6.5405 -6.3464 -6.3464 -6.2735 -6.2735 -6.1912 -6.1912 1.5293 1.5293 1.7477 1.7477 1.8234 1.8234 2.3956 2.3956 2.7113 2.7113 2.8430 2.8430 2.8840 2.8840 2.8878 2.8878 2.9202 2.9202 3.2863 3.2863 3.3786 3.3786 3.4168 3.4168 4.0528 4.0528 4.3231 4.3231 4.3302 4.3302 4.3969 4.3969 4.4967 4.4967 4.5153 4.5153 4.5971 4.5971 4.9270 4.9270 5.0230 5.0230 5.0328 5.0328 5.0658 5.0658 5.1538 5.1538 5.7324 5.7324 5.7617 5.7617 6.3327 6.3327 8.5634 8.5634 8.7961 8.7961 8.9748 8.9748 9.3988 9.3988 9.4617 9.4617 11.2480 11.2480 11.2601 11.2601 k = 0.5000 0.5000 0.0536 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5390 -6.5390 -6.3462 -6.3462 -6.2734 -6.2734 -6.1920 -6.1920 1.5278 1.5278 1.7422 1.7422 1.8175 1.8175 2.3639 2.3639 2.7321 2.7321 2.8487 2.8487 2.8857 2.8857 2.8920 2.8920 2.9284 2.9284 3.2847 3.2847 3.3785 3.3785 3.4179 3.4179 4.0562 4.0562 4.3191 4.3191 4.3311 4.3311 4.3997 4.3997 4.4931 4.4931 4.5161 4.5161 4.5980 4.5980 4.9226 4.9226 5.0219 5.0219 5.0363 5.0363 5.0684 5.0684 5.1526 5.1526 5.7413 5.7413 5.7697 5.7697 6.3358 6.3358 8.5523 8.5523 8.8090 8.8090 8.9786 8.9786 9.4011 9.4011 9.4655 9.4655 11.2329 11.2329 11.2445 11.2445 k = 0.5000 0.5000 0.0714 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5368 -6.5368 -6.3460 -6.3460 -6.2732 -6.2732 -6.1930 -6.1930 1.5256 1.5256 1.7346 1.7346 1.8096 1.8096 2.3263 2.3263 2.7534 2.7534 2.8563 2.8563 2.8883 2.8883 2.8977 2.8977 2.9408 2.9408 3.2824 3.2824 3.3784 3.3784 3.4193 3.4193 4.0608 4.0608 4.3140 4.3140 4.3324 4.3324 4.4031 4.4031 4.4887 4.4887 4.5170 4.5170 4.5992 4.5992 4.9172 4.9172 5.0189 5.0189 5.0422 5.0422 5.0709 5.0709 5.1508 5.1508 5.7538 5.7538 5.7809 5.7809 6.3402 6.3402 8.5392 8.5392 8.8234 8.8234 8.9850 8.9850 9.4041 9.4041 9.4707 9.4707 11.2121 11.2121 11.2230 11.2230 k = 0.5000 0.5000 0.0893 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7037 -25.7037 -6.5340 -6.5340 -6.3458 -6.3458 -6.2730 -6.2730 -6.1944 -6.1944 1.5228 1.5228 1.7252 1.7252 1.7997 1.7997 2.2853 2.2853 2.7727 2.7727 2.8652 2.8652 2.8920 2.8920 2.9048 2.9048 2.9580 2.9580 3.2794 3.2794 3.3784 3.3784 3.4210 3.4210 4.0666 4.0666 4.3083 4.3083 4.3339 4.3339 4.4068 4.4068 4.4836 4.4836 4.5177 4.5177 4.6007 4.6007 4.9110 4.9110 5.0149 5.0149 5.0490 5.0490 5.0728 5.0728 5.1486 5.1486 5.7701 5.7701 5.7956 5.7956 6.3456 6.3456 8.5256 8.5256 8.8369 8.8369 8.9951 8.9951 9.4078 9.4078 9.4770 9.4770 11.1858 11.1858 11.1959 11.1959 k = 0.5000 0.5000 0.1071 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7038 -25.7038 -6.5306 -6.5306 -6.3455 -6.3455 -6.2727 -6.2727 -6.1960 -6.1960 1.5194 1.5194 1.7140 1.7140 1.7881 1.7881 2.2425 2.2425 2.7889 2.7889 2.8742 2.8742 2.8972 2.8972 2.9134 2.9134 2.9799 2.9799 3.2757 3.2757 3.3784 3.3784 3.4229 3.4229 4.0734 4.0734 4.3021 4.3021 4.3357 4.3357 4.4107 4.4107 4.4781 4.4781 4.5185 4.5185 4.6026 4.6026 4.9043 4.9043 5.0100 5.0100 5.0559 5.0559 5.0737 5.0737 5.1460 5.1460 5.7903 5.7903 5.8139 5.8139 6.3522 6.3522 8.5124 8.5124 8.8478 8.8478 9.0097 9.0097 9.4121 9.4121 9.4840 9.4840 11.1547 11.1547 11.1639 11.1639 k = 0.5000 0.5000 0.1250 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7038 -25.7038 -6.5267 -6.5267 -6.3452 -6.3452 -6.2724 -6.2724 -6.1979 -6.1979 1.5154 1.5154 1.7013 1.7013 1.7750 1.7750 2.1986 2.1986 2.8026 2.8026 2.8821 2.8821 2.9045 2.9045 2.9232 2.9232 3.0057 3.0057 3.2715 3.2715 3.3786 3.3786 3.4249 3.4249 4.0813 4.0813 4.2959 4.2959 4.3378 4.3378 4.4146 4.4146 4.4726 4.4726 4.5192 4.5192 4.6049 4.6049 4.8974 4.8974 5.0044 5.0044 5.0622 5.0622 5.0735 5.0735 5.1431 5.1431 5.8143 5.8143 5.8358 5.8358 6.3598 6.3598 8.5002 8.5002 8.8551 8.8551 9.0292 9.0292 9.4167 9.4167 9.4916 9.4916 11.1191 11.1191 11.1276 11.1276 k = 0.5000 0.5000 0.1429 ( 6432 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7039 -25.7039 -6.5222 -6.5222 -6.3449 -6.3449 -6.2720 -6.2720 -6.2002 -6.2002 1.5110 1.5110 1.6874 1.6874 1.7608 1.7608 2.1545 2.1545 2.8144 2.8144 2.8887 2.8887 2.9139 2.9139 2.9341 2.9341 3.0341 3.0341 3.2667 3.2667 3.3789 3.3789 3.4269 3.4269 4.0901 4.0901 4.2898 4.2898 4.3402 4.3402 4.4185 4.4185 4.4669 4.4669 4.5198 4.5198 4.6076 4.6076 4.8902 4.8902 4.9978 4.9978 5.0662 5.0662 5.0730 5.0730 5.1401 5.1401 5.8422 5.8422 5.8614 5.8614 6.3682 6.3682 8.4897 8.4897 8.8586 8.8586 9.0531 9.0531 9.4213 9.4213 9.4991 9.4991 11.0797 11.0797 11.0878 11.0878 k = 0.5000 0.5000 0.1607 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7040 -25.7040 -6.5172 -6.5172 -6.3445 -6.3445 -6.2717 -6.2717 -6.2027 -6.2027 1.5060 1.5060 1.6724 1.6724 1.7456 1.7456 2.1105 2.1105 2.8251 2.8251 2.8945 2.8945 2.9249 2.9249 2.9460 2.9460 3.0638 3.0638 3.2614 3.2614 3.3794 3.3794 3.4288 3.4288 4.0996 4.0996 4.2840 4.2840 4.3427 4.3427 4.4222 4.4222 4.4614 4.4614 4.5204 4.5204 4.6107 4.6107 4.8829 4.8829 4.9903 4.9903 5.0648 5.0648 5.0747 5.0747 5.1370 5.1370 5.8737 5.8737 5.8905 5.8905 6.3775 6.3775 8.4812 8.4812 8.8590 8.8590 9.0803 9.0803 9.4257 9.4257 9.5064 9.5064 11.0372 11.0372 11.0454 11.0454 k = 0.5000 0.5000 0.1786 ( 6440 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7049 -25.7049 -25.7040 -25.7040 -6.5118 -6.5118 -6.3442 -6.3442 -6.2712 -6.2712 -6.2055 -6.2055 1.5007 1.5007 1.6567 1.6567 1.7297 1.7297 2.0669 2.0669 2.8353 2.8353 2.9000 2.9000 2.9370 2.9370 2.9586 2.9586 3.0937 3.0937 3.2555 3.2555 3.3800 3.3800 3.4306 3.4306 4.1097 4.1097 4.2789 4.2789 4.3453 4.3453 4.4257 4.4257 4.4563 4.4563 4.5210 4.5210 4.6144 4.6144 4.8755 4.8755 4.9818 4.9818 5.0596 5.0596 5.0766 5.0766 5.1340 5.1340 5.9085 5.9085 5.9232 5.9232 6.3874 6.3874 8.4752 8.4752 8.8570 8.8570 9.1096 9.1096 9.4295 9.4295 9.5128 9.5128 10.9926 10.9926 11.0014 11.0014 k = 0.5000 0.5000 0.1964 ( 6448 PWs) bands (ev): -61.4354 -61.4354 -34.3551 -34.3551 -25.7050 -25.7050 -25.7041 -25.7041 -6.5059 -6.5059 -6.3438 -6.3438 -6.2708 -6.2708 -6.2085 -6.2085 1.4949 1.4949 1.6405 1.6405 1.7133 1.7133 2.0242 2.0242 2.8453 2.8453 2.9056 2.9056 2.9499 2.9499 2.9717 2.9717 3.1231 3.1231 3.2490 3.2490 3.3808 3.3808 3.4321 3.4321 4.1200 4.1200 4.2746 4.2746 4.3481 4.3481 4.4288 4.4288 4.4518 4.4518 4.5215 4.5215 4.6186 4.6186 4.8679 4.8679 4.9724 4.9724 5.0524 5.0524 5.0768 5.0768 5.1312 5.1312 5.9463 5.9463 5.9592 5.9592 6.3979 6.3979 8.4718 8.4718 8.8531 8.8531 9.1400 9.1400 9.4324 9.4324 9.5180 9.5180 10.9466 10.9466 10.9567 10.9567 k = 0.5000 0.5000 0.2143 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7042 -25.7042 -6.4995 -6.4995 -6.3435 -6.3435 -6.2704 -6.2704 -6.2119 -6.2119 1.4888 1.4888 1.6242 1.6242 1.6967 1.6967 1.9824 1.9824 2.8554 2.8554 2.9115 2.9115 2.9633 2.9633 2.9852 2.9852 3.1513 3.1513 3.2422 3.2422 3.3818 3.3818 3.4335 3.4335 4.1302 4.1302 4.2714 4.2714 4.3509 4.3509 4.4310 4.4310 4.4484 4.4484 4.5220 4.5220 4.6234 4.6234 4.8602 4.8602 4.9622 4.9622 5.0435 5.0435 5.0751 5.0751 5.1286 5.1286 5.9863 5.9863 5.9984 5.9984 6.4088 6.4088 8.4713 8.4713 8.8479 8.8479 9.1704 9.1704 9.4341 9.4341 9.5214 9.5214 10.9005 10.9005 10.9123 10.9123 k = 0.5000 0.5000 0.2321 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7043 -25.7043 -6.4928 -6.4928 -6.3432 -6.3432 -6.2699 -6.2699 -6.2154 -6.2154 1.4825 1.4825 1.6081 1.6081 1.6801 1.6801 1.9418 1.9418 2.8657 2.8657 2.9176 2.9176 2.9772 2.9772 2.9989 2.9989 3.1778 3.1778 3.2350 3.2350 3.3829 3.3829 3.4346 3.4346 4.1400 4.1400 4.2699 4.2699 4.3537 4.3537 4.4317 4.4317 4.4470 4.4470 4.5223 4.5223 4.6287 4.6287 4.8524 4.8524 4.9514 4.9514 5.0332 5.0332 5.0716 5.0716 5.1258 5.1258 6.0281 6.0281 6.0405 6.0405 6.4201 6.4201 8.4739 8.4739 8.8417 8.8417 9.1997 9.1997 9.4342 9.4342 9.5226 9.5226 10.8553 10.8553 10.8690 10.8690 k = 0.5000 0.5000 0.2500 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7043 -25.7043 -6.4858 -6.4858 -6.3430 -6.3430 -6.2694 -6.2694 -6.2192 -6.2192 1.4759 1.4759 1.5923 1.5923 1.6637 1.6637 1.9025 1.9025 2.8763 2.8763 2.9241 2.9241 2.9914 2.9914 3.0127 3.0127 3.2024 3.2024 3.2275 3.2275 3.3844 3.3844 3.4354 3.4354 4.1488 4.1488 4.2703 4.2703 4.3565 4.3565 4.4305 4.4305 4.4480 4.4480 4.5225 4.5225 4.6346 4.6346 4.8445 4.8445 4.9401 4.9401 5.0219 5.0219 5.0667 5.0667 5.1224 5.1224 6.0712 6.0712 6.0850 6.0850 6.4315 6.4315 8.4797 8.4797 8.8349 8.8349 9.2269 9.2269 9.4325 9.4325 9.5213 9.5213 10.8117 10.8117 10.8277 10.8277 k = 0.5000 0.5000 0.2679 ( 6456 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7044 -25.7044 -6.4785 -6.4785 -6.3428 -6.3428 -6.2690 -6.2690 -6.2232 -6.2232 1.4691 1.4691 1.5773 1.5773 1.6476 1.6476 1.8648 1.8648 2.8871 2.8871 2.9309 2.9309 3.0057 3.0057 3.0264 3.0264 3.2188 3.2188 3.2256 3.2256 3.3861 3.3861 3.4359 3.4359 4.1564 4.1564 4.2729 4.2729 4.3593 4.3593 4.4282 4.4282 4.4507 4.4507 4.5225 4.5225 4.6411 4.6411 4.8364 4.8364 4.9284 4.9284 5.0097 5.0097 5.0608 5.0608 5.1180 5.1180 6.1151 6.1151 6.1311 6.1311 6.4431 6.4431 8.4887 8.4887 8.8276 8.8276 9.2508 9.2508 9.4288 9.4288 9.5170 9.5170 10.7705 10.7705 10.7891 10.7891 k = 0.5000 0.5000 0.2857 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7045 -25.7045 -6.4710 -6.4710 -6.3428 -6.3428 -6.2685 -6.2685 -6.2273 -6.2273 1.4622 1.4622 1.5633 1.5633 1.6320 1.6320 1.8286 1.8286 2.8980 2.8980 2.9380 2.9380 3.0200 3.0200 3.0398 3.0398 3.2111 3.2111 3.2453 3.2453 3.3881 3.3881 3.4360 3.4360 4.1622 4.1622 4.2780 4.2780 4.3619 4.3619 4.4256 4.4256 4.4541 4.4541 4.5222 4.5222 4.6480 4.6480 4.8281 4.8281 4.9166 4.9166 4.9970 4.9970 5.0543 5.0543 5.1123 5.1123 6.1594 6.1594 6.1781 6.1781 6.4545 6.4545 8.5010 8.5010 8.8201 8.8201 9.2703 9.2703 9.4232 9.4232 9.5099 9.5099 10.7319 10.7319 10.7539 10.7539 k = 0.5000 0.5000 0.3036 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7046 -25.7046 -6.4633 -6.4633 -6.3428 -6.3428 -6.2681 -6.2681 -6.2316 -6.2316 1.4552 1.4552 1.5507 1.5507 1.6172 1.6172 1.7942 1.7942 2.9091 2.9091 2.9453 2.9453 3.0342 3.0342 3.0528 3.0528 3.2028 3.2028 3.2627 3.2627 3.3907 3.3907 3.4358 3.4358 4.1664 4.1664 4.2856 4.2856 4.3643 4.3643 4.4231 4.4231 4.4579 4.4579 4.5216 4.5216 4.6554 4.6554 4.8198 4.8198 4.9048 4.9048 4.9843 4.9843 5.0476 5.0476 5.1053 5.1053 6.2036 6.2036 6.2254 6.2254 6.4658 6.4658 8.5165 8.5165 8.8125 8.8125 9.2841 9.2841 9.4156 9.4156 9.4998 9.4998 10.6957 10.6957 10.7226 10.7226 k = 0.5000 0.5000 0.3214 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7046 -25.7046 -6.4555 -6.4555 -6.3431 -6.3431 -6.2676 -6.2676 -6.2359 -6.2359 1.4480 1.4480 1.5396 1.5396 1.6032 1.6032 1.7616 1.7616 2.9201 2.9201 2.9527 2.9527 3.0481 3.0481 3.0653 3.0653 3.1944 3.1944 3.2775 3.2775 3.3937 3.3937 3.4354 3.4354 4.1690 4.1690 4.2952 4.2952 4.3667 4.3667 4.4209 4.4209 4.4619 4.4619 4.5206 4.5206 4.6632 4.6632 4.8114 4.8114 4.8929 4.8929 4.9721 4.9721 5.0407 5.0407 5.0969 5.0969 6.2470 6.2470 6.2721 6.2721 6.4767 6.4767 8.5349 8.5349 8.8049 8.8049 9.2915 9.2915 9.4061 9.4061 9.4870 9.4870 10.6619 10.6619 10.6953 10.6953 k = 0.5000 0.5000 0.3393 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7047 -25.7047 -6.4477 -6.4477 -6.3435 -6.3435 -6.2672 -6.2672 -6.2402 -6.2402 1.4409 1.4409 1.5304 1.5304 1.5901 1.5901 1.7309 1.7309 2.9310 2.9310 2.9601 2.9601 3.0615 3.0615 3.0771 3.0771 3.1859 3.1859 3.2896 3.2896 3.3973 3.3973 3.4347 3.4347 4.1705 4.1705 4.3064 4.3064 4.3688 4.3688 4.4191 4.4191 4.4660 4.4660 4.5192 4.5192 4.6714 4.6714 4.8032 4.8032 4.8809 4.8809 4.9609 4.9609 5.0340 5.0340 5.0872 5.0872 6.2892 6.2892 6.3176 6.3176 6.4873 6.4873 8.5560 8.5560 8.7976 8.7976 9.2922 9.2922 9.3949 9.3949 9.4720 9.4720 10.6315 10.6315 10.6721 10.6721 k = 0.5000 0.5000 0.3571 ( 6468 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7048 -25.7048 -6.4400 -6.4400 -6.3441 -6.3441 -6.2668 -6.2668 -6.2445 -6.2445 1.4338 1.4338 1.5231 1.5231 1.5781 1.5781 1.7021 1.7021 2.9416 2.9416 2.9675 2.9675 3.0742 3.0742 3.0882 3.0882 3.1775 3.1775 3.2991 3.2991 3.4013 3.4013 3.4337 3.4337 4.1711 4.1711 4.3187 4.3187 4.3707 4.3707 4.4175 4.4175 4.4701 4.4701 4.5173 4.5173 4.6800 4.6800 4.7953 4.7953 4.8688 4.8688 4.9511 4.9511 5.0275 5.0275 5.0764 5.0764 6.3292 6.3292 6.3610 6.3610 6.4974 6.4974 8.5794 8.5794 8.7907 8.7907 9.2870 9.2870 9.3819 9.3819 9.4548 9.4548 10.6067 10.6067 10.6532 10.6532 k = 0.5000 0.5000 0.3750 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7048 -25.7048 -6.4323 -6.4323 -6.3450 -6.3450 -6.2665 -6.2665 -6.2487 -6.2487 1.4270 1.4270 1.5179 1.5179 1.5672 1.5672 1.6754 1.6754 2.9518 2.9518 2.9745 2.9745 3.0861 3.0861 3.0985 3.0985 3.1694 3.1694 3.3061 3.3061 3.4058 3.4058 3.4326 3.4326 4.1712 4.1712 4.3315 4.3315 4.3724 4.3724 4.4162 4.4162 4.4740 4.4740 4.5148 4.5148 4.6890 4.6890 4.7879 4.7879 4.8565 4.8565 4.9431 4.9431 5.0214 5.0214 5.0647 5.0647 6.3663 6.3663 6.4017 6.4017 6.5071 6.5071 8.6046 8.6046 8.7842 8.7842 9.2772 9.2772 9.3672 9.3672 9.4355 9.4355 10.5892 10.5892 10.6382 10.6382 k = 0.5000 0.5000 0.3929 ( 6464 PWs) bands (ev): -61.4355 -61.4355 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4250 -6.4250 -6.3461 -6.3461 -6.2662 -6.2662 -6.2526 -6.2526 1.4205 1.4205 1.5148 1.5148 1.5577 1.5577 1.6509 1.6509 2.9614 2.9614 2.9811 2.9811 3.0969 3.0969 3.1077 3.1077 3.1616 3.1616 3.3111 3.3111 3.4102 3.4102 3.4314 3.4314 4.1710 4.1710 4.3445 4.3445 4.3738 4.3738 4.4151 4.4151 4.4778 4.4778 4.5117 4.5117 4.6983 4.6983 4.7811 4.7811 4.8438 4.8438 4.9372 4.9372 5.0159 5.0159 5.0524 5.0524 6.3998 6.3998 6.4389 6.4389 6.5162 6.5162 8.6308 8.6308 8.7782 8.7782 9.2646 9.2646 9.3515 9.3515 9.4145 9.4145 10.5794 10.5794 10.6268 10.6268 k = 0.5000 0.5000 0.4107 ( 6456 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4180 -6.4180 -6.3475 -6.3475 -6.2659 -6.2659 -6.2561 -6.2561 1.4146 1.4146 1.5138 1.5138 1.5494 1.5494 1.6285 1.6285 2.9704 2.9704 2.9870 2.9870 3.1064 3.1064 3.1158 3.1158 3.1545 3.1545 3.3144 3.3144 3.4146 3.4146 3.4302 3.4302 4.1706 4.1706 4.3571 4.3571 4.3751 4.3751 4.4140 4.4140 4.4812 4.4812 4.5082 4.5082 4.7077 4.7077 4.7753 4.7753 4.8311 4.8311 4.9335 4.9335 5.0110 5.0110 5.0400 5.0400 6.4288 6.4288 6.4718 6.4718 6.5249 6.5249 8.6571 8.6571 8.7729 8.7729 9.2507 9.2507 9.3359 9.3359 9.3921 9.3921 10.5764 10.5764 10.6184 10.6184 k = 0.5000 0.5000 0.4286 ( 6444 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4116 -6.4116 -6.3491 -6.3491 -6.2657 -6.2657 -6.2592 -6.2592 1.4096 1.4096 1.5147 1.5147 1.5426 1.5426 1.6084 1.6084 2.9784 2.9784 2.9920 2.9920 3.1144 3.1144 3.1225 3.1225 3.1486 3.1486 3.3165 3.3165 3.4185 3.4185 3.4290 3.4290 4.1702 4.1702 4.3691 4.3691 4.3761 4.3761 4.4129 4.4129 4.4842 4.4842 4.5043 4.5043 4.7174 4.7174 4.7707 4.7707 4.8183 4.8183 4.9319 4.9319 5.0069 5.0069 5.0280 5.0280 6.4526 6.4526 6.4999 6.4999 6.5331 6.5331 8.6824 8.6824 8.7681 8.7681 9.2372 9.2372 9.3218 9.3218 9.3694 9.3694 10.5787 10.5787 10.6125 10.6125 k = 0.5000 0.5000 0.4464 ( 6448 PWs) bands (ev): -61.4354 -61.4354 -34.3552 -34.3552 -25.7050 -25.7050 -25.7049 -25.7049 -6.4060 -6.4060 -6.3509 -6.3509 -6.2655 -6.2655 -6.2618 -6.2618 1.4054 1.4054 1.5175 1.5175 1.5372 1.5372 1.5907 1.5907 2.9854 2.9854 2.9958 2.9958 3.1207 3.1207 3.1272 3.1272 3.1442 3.1442 3.3177 3.3177 3.4217 3.4217 3.4280 3.4280 4.1698 4.1698 4.3767 4.3767 4.3800 4.3800 4.4116 4.4116 4.4868 4.4868 4.5004 4.5004 4.7268 4.7268 4.7673 4.7673 4.8057 4.8057 4.9319 4.9319 5.0035 5.0035 5.0170 5.0170 6.4707 6.4707 6.5225 6.5225 6.5407 6.5407 8.7053 8.7053 8.7638 8.7638 9.2251 9.2251 9.3105 9.3105 9.3477 9.3477 10.5842 10.5842 10.6085 10.6085 k = 0.5000 0.5000 0.4643 ( 6476 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.4015 -6.4015 -6.3525 -6.3525 -6.2654 -6.2654 -6.2637 -6.2637 1.4024 1.4024 1.5218 1.5218 1.5334 1.5334 1.5758 1.5758 2.9911 2.9911 2.9981 2.9981 3.1251 3.1251 3.1292 3.1292 3.1423 3.1423 3.3182 3.3182 3.4240 3.4240 3.4272 3.4272 4.1694 4.1694 4.3773 4.3773 4.3894 4.3894 4.4097 4.4097 4.4888 4.4888 4.4968 4.4968 4.7355 4.7355 4.7659 4.7659 4.7936 4.7936 4.9330 4.9330 5.0010 5.0010 5.0078 5.0078 6.4830 6.4830 6.5390 6.5390 6.5471 6.5471 8.7245 8.7245 8.7598 8.7598 9.2156 9.2156 9.3033 9.3033 9.3287 9.3287 10.5907 10.5907 10.6056 10.6056 k = 0.5000 0.5000 0.4821 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3986 -6.3986 -6.3537 -6.3537 -6.2653 -6.2653 -6.2648 -6.2648 1.4005 1.4005 1.5266 1.5266 1.5310 1.5310 1.5647 1.5647 2.9953 2.9953 2.9989 2.9989 3.1278 3.1278 3.1290 3.1290 3.1425 3.1425 3.3185 3.3185 3.4255 3.4255 3.4266 3.4266 4.1692 4.1692 4.3776 4.3776 4.3970 4.3970 4.4069 4.4069 4.4904 4.4904 4.4939 4.4939 4.7421 4.7421 4.7674 4.7674 4.7824 4.7824 4.9343 4.9343 4.9995 4.9995 5.0016 5.0016 6.4901 6.4901 6.5491 6.5491 6.5514 6.5514 8.7390 8.7390 8.7552 8.7552 9.2094 9.2094 9.3010 9.3010 9.3139 9.3139 10.5964 10.5964 10.6032 10.6032 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -61.4355 -61.4355 -34.3553 -34.3553 -25.7050 -25.7050 -25.7050 -25.7050 -6.3975 -6.3975 -6.3541 -6.3541 -6.2652 -6.2652 -6.2652 -6.2652 1.3999 1.3999 1.5296 1.5296 1.5296 1.5296 1.5602 1.5602 2.9980 2.9980 2.9980 2.9980 3.1287 3.1287 3.1287 3.1287 3.1429 3.1429 3.3185 3.3185 3.4263 3.4263 3.4263 3.4263 4.1692 4.1692 4.3777 4.3777 4.4028 4.4028 4.4028 4.4028 4.4919 4.4919 4.4919 4.4919 4.7446 4.7446 4.7732 4.7732 4.7732 4.7732 4.9349 4.9349 4.9992 4.9992 4.9992 4.9992 6.4924 6.4924 6.5527 6.5527 6.5527 6.5527 8.7488 8.7488 8.7488 8.7488 9.2073 9.2073 9.3046 9.3046 9.3046 9.3046 10.6005 10.6005 10.6005 10.6005 Writing output data file TaCu3Se4.save init_run : 2.56s CPU 13.52s WALL ( 1 calls) electrons : 1159.45s CPU 1174.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 1159.42s CPU 1174.55s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.09s CPU 0.55s WALL ( 1 calls) newd : 0.45s CPU 0.81s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.13s WALL ( 219 calls) cegterg : 1112.49s CPU 1124.91s WALL ( 599 calls) Called by sum_band: Called by *egterg: h_psi : 331.35s CPU 339.02s WALL ( 10295 calls) s_psi : 42.90s CPU 43.41s WALL ( 10295 calls) g_psi : 1.06s CPU 1.08s WALL ( 9477 calls) cdiaghg : 560.03s CPU 560.24s WALL ( 9696 calls) cegterg:over : 99.57s CPU 97.45s WALL ( 9477 calls) cegterg:upda : 33.15s CPU 35.53s WALL ( 9477 calls) cegterg:last : 23.75s CPU 24.13s WALL ( 1314 calls) Called by h_psi: h_psi:vloc : 244.25s CPU 250.02s WALL ( 10295 calls) h_psi:vnl : 86.53s CPU 87.89s WALL ( 10295 calls) add_vuspsi : 32.65s CPU 36.02s WALL ( 10295 calls) General routines calbec : 53.85s CPU 51.77s WALL ( 10295 calls) fft : 0.64s CPU 1.15s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 231.40s CPU 234.77s WALL ( 1314216 calls) interpolate : 0.09s CPU 0.10s WALL ( 4 calls) davcio : 0.03s CPU 1.70s WALL ( 438 calls) Parallel routines fft_scatter : 160.80s CPU 162.60s WALL ( 1314239 calls) PWSCF : 20m27.26s CPU 22m36.60s WALL This run was terminated on: 0:26:52 2Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=