Program PWSCF v.5.1.1 starts on 29Oct2015 at 3:47:10 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: ./Ca3ZnSe4.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 43 12 2811 1524 228 Max 68 44 13 2816 1540 235 Sum 3181 2109 593 135043 73447 11075 bravais-lattice index = 14 lattice parameter (alat) = 12.0376 a.u. unit-cell volume = 1744.2744 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.037555 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 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. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 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= 194 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0051546 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0051546 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0051546 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0051546 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0051546 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0051546 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0051546 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0051546 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0051546 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0051546 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0051546 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0051546 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0051546 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0051546 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0051546 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0051546 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0051546 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0051546 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0051546 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0051546 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0051546 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0051546 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0051546 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0051546 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0051546 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0051546 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0051546 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0051546 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0051546 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0051546 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0051546 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0051546 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0051546 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0051546 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0051546 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0051546 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0051546 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0051546 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0051546 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0051546 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0051546 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0051546 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0051546 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0051546 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0051546 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0051546 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0051546 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 54) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0051546 k( 55) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0051546 k( 56) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0051546 k( 57) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0051546 k( 58) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0051546 k( 59) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0051546 k( 60) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0051546 k( 61) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0051546 k( 62) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0051546 k( 63) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0051546 k( 64) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0051546 k( 65) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0051546 k( 66) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0051546 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0051546 k( 68) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0051546 k( 69) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0051546 k( 70) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0051546 k( 71) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0051546 k( 72) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0051546 k( 73) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0051546 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0051546 k( 75) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0051546 k( 76) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0051546 k( 77) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0051546 k( 78) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0051546 k( 79) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0051546 k( 80) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0051546 k( 81) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0051546 k( 82) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0051546 k( 83) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0051546 k( 84) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0051546 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0051546 k( 86) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0051546 k( 87) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0051546 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 90) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051546 k( 91) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051546 k( 92) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051546 k( 93) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051546 k( 94) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051546 k( 95) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051546 k( 96) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0051546 k( 97) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051546 k( 98) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051546 k( 99) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051546 k( 100) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051546 k( 101) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051546 k( 102) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051546 k( 103) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051546 k( 104) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051546 k( 105) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051546 k( 106) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051546 k( 107) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051546 k( 108) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051546 k( 109) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051546 k( 110) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051546 k( 111) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0051546 k( 112) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051546 k( 113) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051546 k( 114) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051546 k( 115) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051546 k( 116) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051546 k( 117) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051546 k( 118) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051546 k( 119) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051546 k( 120) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051546 k( 121) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051546 k( 122) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051546 k( 123) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051546 k( 124) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051546 k( 125) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0051546 k( 126) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051546 k( 127) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051546 k( 128) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051546 k( 129) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051546 k( 130) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051546 k( 131) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051546 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 134) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0051546 k( 135) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0051546 k( 136) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0051546 k( 137) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0051546 k( 138) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0051546 k( 139) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0051546 k( 140) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0051546 k( 141) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0051546 k( 142) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0051546 k( 143) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0051546 k( 144) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0051546 k( 145) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0051546 k( 146) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0051546 k( 147) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0051546 k( 148) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0051546 k( 149) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0051546 k( 150) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0051546 k( 151) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0051546 k( 152) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0051546 k( 153) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0051546 k( 154) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0051546 k( 155) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0051546 k( 156) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0051546 k( 157) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0051546 k( 158) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0051546 k( 159) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0051546 k( 160) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0051546 k( 161) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0051546 k( 162) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0051546 k( 163) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0051546 k( 164) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0051546 k( 165) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0051546 k( 166) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0051546 k( 167) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0051546 k( 168) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 169) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 170) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051546 k( 171) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051546 k( 172) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051546 k( 173) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051546 k( 174) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051546 k( 175) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051546 k( 176) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051546 k( 177) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051546 k( 178) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051546 k( 179) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051546 k( 180) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051546 k( 181) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051546 k( 182) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051546 k( 183) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051546 k( 184) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051546 k( 185) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051546 k( 186) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051546 k( 187) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051546 k( 188) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051546 k( 189) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051546 k( 190) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051546 k( 191) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051546 k( 192) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051546 k( 193) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051546 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0051546 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0051546 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0051546 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0051546 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0051546 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0051546 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0051546 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0051546 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0051546 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0051546 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0051546 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0051546 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0051546 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0051546 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0051546 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0051546 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0051546 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0051546 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0051546 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0051546 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0051546 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0051546 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0051546 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0051546 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0051546 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0051546 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0051546 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0051546 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0051546 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0051546 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0051546 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0051546 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0051546 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0051546 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0051546 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0051546 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0051546 k( 42) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0051546 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0051546 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0051546 k( 45) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0051546 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0051546 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0051546 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0051546 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0051546 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0051546 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0051546 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 54) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0051546 k( 55) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0051546 k( 56) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0051546 k( 57) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0051546 k( 58) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0051546 k( 59) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0051546 k( 60) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0051546 k( 61) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0051546 k( 62) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0051546 k( 63) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0051546 k( 64) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0051546 k( 65) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0051546 k( 66) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0051546 k( 67) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0051546 k( 68) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0051546 k( 69) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0051546 k( 70) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0051546 k( 71) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0051546 k( 72) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0051546 k( 73) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0051546 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0051546 k( 75) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0051546 k( 76) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0051546 k( 77) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0051546 k( 78) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0051546 k( 79) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0051546 k( 80) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0051546 k( 81) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0051546 k( 82) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0051546 k( 83) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0051546 k( 84) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0051546 k( 85) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0051546 k( 86) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0051546 k( 87) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0051546 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 90) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051546 k( 91) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051546 k( 92) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051546 k( 93) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051546 k( 94) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051546 k( 95) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051546 k( 96) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0051546 k( 97) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051546 k( 98) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051546 k( 99) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051546 k( 100) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051546 k( 101) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051546 k( 102) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051546 k( 103) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051546 k( 104) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051546 k( 105) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051546 k( 106) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051546 k( 107) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051546 k( 108) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051546 k( 109) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051546 k( 110) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051546 k( 111) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0051546 k( 112) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051546 k( 113) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051546 k( 114) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051546 k( 115) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051546 k( 116) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051546 k( 117) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051546 k( 118) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051546 k( 119) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051546 k( 120) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051546 k( 121) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051546 k( 122) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051546 k( 123) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051546 k( 124) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051546 k( 125) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0051546 k( 126) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051546 k( 127) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051546 k( 128) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051546 k( 129) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051546 k( 130) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051546 k( 131) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051546 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 134) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0051546 k( 135) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0051546 k( 136) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0051546 k( 137) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0051546 k( 138) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0051546 k( 139) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0051546 k( 140) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0051546 k( 141) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0051546 k( 142) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0051546 k( 143) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0051546 k( 144) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0051546 k( 145) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0051546 k( 146) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0051546 k( 147) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0051546 k( 148) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0051546 k( 149) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0051546 k( 150) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0051546 k( 151) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0051546 k( 152) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0051546 k( 153) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0051546 k( 154) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0051546 k( 155) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0051546 k( 156) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0051546 k( 157) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0051546 k( 158) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0051546 k( 159) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0051546 k( 160) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0051546 k( 161) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0051546 k( 162) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0051546 k( 163) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0051546 k( 164) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0051546 k( 165) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0051546 k( 166) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0051546 k( 167) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0051546 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 169) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 170) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051546 k( 171) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051546 k( 172) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051546 k( 173) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051546 k( 174) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051546 k( 175) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051546 k( 176) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051546 k( 177) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051546 k( 178) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051546 k( 179) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051546 k( 180) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051546 k( 181) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051546 k( 182) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051546 k( 183) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051546 k( 184) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051546 k( 185) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051546 k( 186) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051546 k( 187) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051546 k( 188) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051546 k( 189) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051546 k( 190) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051546 k( 191) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051546 k( 192) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051546 k( 193) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051546 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 Dense grid: 135043 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 73447 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.51 Mb ( 416, 80) NL pseudopotentials 0.52 Mb ( 208, 164) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2814) G-vector shells 0.00 Mb ( 652) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.03 Mb ( 416, 320) Each subspace H/S matrix 1.56 Mb ( 320, 320) Each matrix 0.40 Mb ( 164, 2, 80) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Ca3ZnSe4.save/charge-density.dat Starting wfc are 98 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.1 secs Computing kpt #: 2 total cpu time spent up to now is 61.6 secs Computing kpt #: 3 total cpu time spent up to now is 72.4 secs Computing kpt #: 4 total cpu time spent up to now is 82.3 secs Computing kpt #: 5 total cpu time spent up to now is 91.7 secs Computing kpt #: 6 total cpu time spent up to now is 102.8 secs Computing kpt #: 7 total cpu time spent up to now is 112.8 secs Computing kpt #: 8 total cpu time spent up to now is 122.1 secs Computing kpt #: 9 total cpu time spent up to now is 133.2 secs Computing kpt #: 10 total cpu time spent up to now is 147.3 secs Computing kpt #: 11 total cpu time spent up to now is 157.0 secs Computing kpt #: 12 total cpu time spent up to now is 168.8 secs Computing kpt #: 13 total cpu time spent up to now is 179.2 secs Computing kpt #: 14 total cpu time spent up to now is 189.6 secs Computing kpt #: 15 total cpu time spent up to now is 200.0 secs Computing kpt #: 16 total cpu time spent up to now is 211.6 secs Computing kpt #: 17 total cpu time spent up to now is 223.8 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.9 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 20 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 264.3 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.2 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.7 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.2 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.8 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 356.5 secs Computing kpt #: 28 total cpu time spent up to now is 371.0 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.1 secs Computing kpt #: 30 total cpu time spent up to now is 397.1 secs Computing kpt #: 31 total cpu time spent up to now is 410.1 secs Computing kpt #: 32 total cpu time spent up to now is 424.5 secs Computing kpt #: 33 total cpu time spent up to now is 437.4 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.5 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 477.4 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 503.7 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 516.9 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 530.3 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.7 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.4 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.7 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.2 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 601.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.5 secs Computing kpt #: 47 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 630.3 secs Computing kpt #: 48 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 646.7 secs Computing kpt #: 49 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 662.2 secs Computing kpt #: 50 total cpu time spent up to now is 677.3 secs Computing kpt #: 51 total cpu time spent up to now is 690.3 secs Computing kpt #: 52 total cpu time spent up to now is 704.6 secs Computing kpt #: 53 total cpu time spent up to now is 716.7 secs Computing kpt #: 54 total cpu time spent up to now is 729.6 secs Computing kpt #: 55 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 744.5 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.7 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 778.2 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 792.6 secs Computing kpt #: 59 total cpu time spent up to now is 805.3 secs Computing kpt #: 60 total cpu time spent up to now is 817.1 secs Computing kpt #: 61 total cpu time spent up to now is 829.5 secs Computing kpt #: 62 total cpu time spent up to now is 844.3 secs Computing kpt #: 63 total cpu time spent up to now is 857.6 secs Computing kpt #: 64 total cpu time spent up to now is 871.2 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.9 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.2 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 916.1 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 930.2 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 944.0 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 958.0 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 972.3 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 985.6 secs Computing kpt #: 73 total cpu time spent up to now is 1000.1 secs Computing kpt #: 74 total cpu time spent up to now is 1012.4 secs Computing kpt #: 75 total cpu time spent up to now is 1023.9 secs Computing kpt #: 76 total cpu time spent up to now is 1036.8 secs Computing kpt #: 77 total cpu time spent up to now is 1047.7 secs Computing kpt #: 78 total cpu time spent up to now is 1057.9 secs Computing kpt #: 79 total cpu time spent up to now is 1070.0 secs Computing kpt #: 80 total cpu time spent up to now is 1079.5 secs Computing kpt #: 81 total cpu time spent up to now is 1089.2 secs Computing kpt #: 82 total cpu time spent up to now is 1099.3 secs Computing kpt #: 83 total cpu time spent up to now is 1109.0 secs Computing kpt #: 84 total cpu time spent up to now is 1118.7 secs Computing kpt #: 85 total cpu time spent up to now is 1128.6 secs Computing kpt #: 86 total cpu time spent up to now is 1138.6 secs Computing kpt #: 87 total cpu time spent up to now is 1148.3 secs Computing kpt #: 88 total cpu time spent up to now is 1157.7 secs Computing kpt #: 89 total cpu time spent up to now is 1167.3 secs Computing kpt #: 90 total cpu time spent up to now is 1177.0 secs Computing kpt #: 91 total cpu time spent up to now is 1186.6 secs Computing kpt #: 92 total cpu time spent up to now is 1196.2 secs Computing kpt #: 93 total cpu time spent up to now is 1206.5 secs Computing kpt #: 94 total cpu time spent up to now is 1217.6 secs Computing kpt #: 95 total cpu time spent up to now is 1227.1 secs Computing kpt #: 96 total cpu time spent up to now is 1236.6 secs Computing kpt #: 97 total cpu time spent up to now is 1246.1 secs Computing kpt #: 98 total cpu time spent up to now is 1255.7 secs Computing kpt #: 99 total cpu time spent up to now is 1266.2 secs Computing kpt #: 100 total cpu time spent up to now is 1278.6 secs Computing kpt #: 101 total cpu time spent up to now is 1290.5 secs Computing kpt #: 102 total cpu time spent up to now is 1301.3 secs Computing kpt #: 103 total cpu time spent up to now is 1311.9 secs Computing kpt #: 104 total cpu time spent up to now is 1322.7 secs Computing kpt #: 105 total cpu time spent up to now is 1333.4 secs Computing kpt #: 106 total cpu time spent up to now is 1344.4 secs Computing kpt #: 107 total cpu time spent up to now is 1357.3 secs Computing kpt #: 108 total cpu time spent up to now is 1369.3 secs Computing kpt #: 109 total cpu time spent up to now is 1382.6 secs Computing kpt #: 110 total cpu time spent up to now is 1394.7 secs Computing kpt #: 111 total cpu time spent up to now is 1406.9 secs Computing kpt #: 112 total cpu time spent up to now is 1418.4 secs Computing kpt #: 113 total cpu time spent up to now is 1432.2 secs Computing kpt #: 114 total cpu time spent up to now is 1444.3 secs Computing kpt #: 115 total cpu time spent up to now is 1456.9 secs Computing kpt #: 116 total cpu time spent up to now is 1470.0 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1484.1 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1498.9 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1513.2 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1527.4 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1543.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1558.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1575.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1589.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1604.9 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1620.9 secs Computing kpt #: 127 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1636.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1651.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1666.1 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1682.6 secs Computing kpt #: 131 total cpu time spent up to now is 1698.0 secs Computing kpt #: 132 total cpu time spent up to now is 1712.2 secs Computing kpt #: 133 total cpu time spent up to now is 1726.3 secs Computing kpt #: 134 total cpu time spent up to now is 1742.7 secs Computing kpt #: 135 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1759.9 secs Computing kpt #: 136 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 1775.3 secs Computing kpt #: 137 total cpu time spent up to now is 1789.9 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1804.9 secs Computing kpt #: 139 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1820.6 secs Computing kpt #: 140 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1835.6 secs Computing kpt #: 141 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1850.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1865.6 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1882.1 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1898.1 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1914.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1929.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1943.8 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1958.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1973.8 secs Computing kpt #: 150 total cpu time spent up to now is 1987.7 secs Computing kpt #: 151 total cpu time spent up to now is 2001.1 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2015.1 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2029.0 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2042.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2058.2 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2071.8 secs Computing kpt #: 157 total cpu time spent up to now is 2085.2 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2098.6 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2112.0 secs Computing kpt #: 160 total cpu time spent up to now is 2125.5 secs Computing kpt #: 161 total cpu time spent up to now is 2140.6 secs Computing kpt #: 162 total cpu time spent up to now is 2153.8 secs Computing kpt #: 163 total cpu time spent up to now is 2170.7 secs Computing kpt #: 164 total cpu time spent up to now is 2183.5 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2197.9 secs Computing kpt #: 166 total cpu time spent up to now is 2212.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2225.7 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2238.2 secs Computing kpt #: 169 total cpu time spent up to now is 2251.2 secs Computing kpt #: 170 total cpu time spent up to now is 2263.6 secs Computing kpt #: 171 total cpu time spent up to now is 2276.4 secs Computing kpt #: 172 total cpu time spent up to now is 2288.6 secs Computing kpt #: 173 total cpu time spent up to now is 2301.3 secs Computing kpt #: 174 total cpu time spent up to now is 2313.9 secs Computing kpt #: 175 total cpu time spent up to now is 2328.2 secs Computing kpt #: 176 total cpu time spent up to now is 2342.8 secs Computing kpt #: 177 total cpu time spent up to now is 2355.9 secs Computing kpt #: 178 total cpu time spent up to now is 2371.2 secs Computing kpt #: 179 total cpu time spent up to now is 2383.7 secs Computing kpt #: 180 total cpu time spent up to now is 2398.3 secs Computing kpt #: 181 total cpu time spent up to now is 2414.5 secs Computing kpt #: 182 total cpu time spent up to now is 2429.3 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2443.6 secs Computing kpt #: 184 total cpu time spent up to now is 2457.7 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2473.9 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2490.5 secs Computing kpt #: 187 total cpu time spent up to now is 2505.2 secs Computing kpt #: 188 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2519.8 secs Computing kpt #: 189 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2534.5 secs Computing kpt #: 190 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 2549.1 secs Computing kpt #: 191 total cpu time spent up to now is 2564.1 secs Computing kpt #: 192 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2578.9 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2593.6 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2608.0 secs ethr = 1.52E-11, avg # of iterations =102.4 total cpu time spent up to now is 2608.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7560 -17.7560 -17.7560 -17.7560 -17.7333 -17.7333 -17.4131 -17.4131 -17.3817 -17.3817 -17.3817 -17.3817 -17.3431 -17.3431 -17.3431 -17.3431 -17.3361 -17.3361 -7.9822 -7.9822 -7.4637 -7.4637 -7.4637 -7.4637 -7.4628 -7.4628 -2.4645 -2.4645 -2.4645 -2.4645 -2.1424 -2.1424 -2.1158 -2.1158 -2.1158 -2.1158 -0.2965 -0.2965 1.4758 1.4758 1.4758 1.4758 2.0279 2.0279 2.0279 2.0279 2.1363 2.1363 2.6914 2.6914 2.6939 2.6939 2.8567 2.8567 2.8567 2.8567 3.0029 3.0029 3.0029 3.0029 5.0033 5.0033 6.4135 6.4135 6.4135 6.4135 6.4209 6.4209 6.8059 6.8059 7.9151 7.9151 7.9151 7.9151 k = 0.0000 0.0200-0.0000 ( 9110 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7563 -17.7563 -17.7558 -17.7558 -17.7334 -17.7334 -17.4131 -17.4131 -17.3818 -17.3818 -17.3816 -17.3816 -17.3433 -17.3433 -17.3430 -17.3430 -17.3361 -17.3361 -7.9818 -7.9818 -7.4640 -7.4640 -7.4637 -7.4637 -7.4629 -7.4629 -2.4648 -2.4648 -2.4644 -2.4644 -2.1425 -2.1425 -2.1160 -2.1160 -2.1156 -2.1156 -0.2959 -0.2959 1.4742 1.4742 1.4787 1.4787 2.0233 2.0233 2.0313 2.0313 2.1357 2.1357 2.6897 2.6897 2.6942 2.6942 2.8541 2.8541 2.8579 2.8579 3.0004 3.0004 3.0032 3.0032 5.0084 5.0084 6.4143 6.4143 6.4148 6.4148 6.4219 6.4219 6.8095 6.8095 7.9145 7.9145 7.9158 7.9158 k = 0.0000 0.0400-0.0000 ( 9126 PWs) bands (ev): -36.4618 -36.4618 -36.4594 -36.4594 -36.4593 -36.4593 -17.7565 -17.7565 -17.7555 -17.7555 -17.7334 -17.7334 -17.4130 -17.4130 -17.3820 -17.3820 -17.3815 -17.3815 -17.3435 -17.3435 -17.3429 -17.3429 -17.3362 -17.3362 -7.9806 -7.9806 -7.4653 -7.4653 -7.4638 -7.4638 -7.4629 -7.4629 -2.4650 -2.4650 -2.4642 -2.4642 -2.1426 -2.1426 -2.1162 -2.1162 -2.1153 -2.1153 -0.2940 -0.2940 1.4736 1.4736 1.4830 1.4830 2.0176 2.0176 2.0335 2.0335 2.1339 2.1339 2.6860 2.6860 2.6937 2.6937 2.8499 2.8499 2.8582 2.8582 2.9934 2.9934 3.0041 3.0041 5.0238 5.0238 6.4167 6.4167 6.4186 6.4186 6.4251 6.4251 6.8202 6.8202 7.9135 7.9135 7.9172 7.9172 k = 0.0000 0.0600-0.0000 ( 9126 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4593 -36.4593 -17.7567 -17.7567 -17.7552 -17.7552 -17.7335 -17.7335 -17.4129 -17.4129 -17.3822 -17.3822 -17.3814 -17.3814 -17.3436 -17.3436 -17.3427 -17.3427 -17.3362 -17.3362 -7.9785 -7.9785 -7.4676 -7.4676 -7.4639 -7.4639 -7.4629 -7.4629 -2.4652 -2.4652 -2.4641 -2.4641 -2.1427 -2.1427 -2.1164 -2.1164 -2.1151 -2.1151 -0.2909 -0.2909 1.4740 1.4740 1.4888 1.4888 2.0109 2.0109 2.0347 2.0347 2.1309 2.1309 2.6806 2.6806 2.6917 2.6917 2.8441 2.8441 2.8577 2.8577 2.9823 2.9823 3.0056 3.0056 5.0491 5.0491 6.4204 6.4204 6.4249 6.4249 6.4308 6.4308 6.8379 6.8379 7.9118 7.9118 7.9193 7.9193 k = 0.0000 0.0800-0.0000 ( 9142 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7570 -17.7570 -17.7549 -17.7549 -17.7336 -17.7336 -17.4128 -17.4128 -17.3825 -17.3825 -17.3814 -17.3814 -17.3439 -17.3439 -17.3426 -17.3426 -17.3363 -17.3363 -7.9756 -7.9756 -7.4708 -7.4708 -7.4640 -7.4640 -7.4628 -7.4628 -2.4655 -2.4655 -2.4639 -2.4639 -2.1430 -2.1430 -2.1166 -2.1166 -2.1148 -2.1148 -0.2865 -0.2865 1.4751 1.4751 1.4963 1.4963 2.0031 2.0031 2.0348 2.0348 2.1269 2.1269 2.6734 2.6734 2.6878 2.6878 2.8366 2.8366 2.8567 2.8567 2.9681 2.9681 3.0076 3.0076 5.0837 5.0837 6.4256 6.4256 6.4336 6.4336 6.4390 6.4390 6.8623 6.8623 7.9089 7.9089 7.9222 7.9222 k = 0.0000 0.1000-0.0000 ( 9162 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7571 -17.7571 -17.7546 -17.7546 -17.7338 -17.7338 -17.4125 -17.4125 -17.3827 -17.3827 -17.3813 -17.3813 -17.3441 -17.3441 -17.3425 -17.3425 -17.3363 -17.3363 -7.9718 -7.9718 -7.4748 -7.4748 -7.4641 -7.4641 -7.4627 -7.4627 -2.4659 -2.4659 -2.4638 -2.4638 -2.1433 -2.1433 -2.1168 -2.1168 -2.1146 -2.1146 -0.2811 -0.2811 1.4769 1.4769 1.5055 1.5055 1.9944 1.9944 2.0338 2.0338 2.1217 2.1217 2.6638 2.6638 2.6816 2.6816 2.8277 2.8277 2.8553 2.8553 2.9520 2.9520 3.0101 3.0101 5.1270 5.1270 6.4325 6.4325 6.4446 6.4446 6.4496 6.4496 6.8932 6.8932 7.9041 7.9041 7.9259 7.9259 k = 0.0000 0.1200-0.0000 ( 9178 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7573 -17.7573 -17.7542 -17.7542 -17.7340 -17.7340 -17.4123 -17.4123 -17.3830 -17.3830 -17.3812 -17.3812 -17.3443 -17.3443 -17.3423 -17.3423 -17.3364 -17.3364 -7.9673 -7.9673 -7.4798 -7.4798 -7.4643 -7.4643 -7.4626 -7.4626 -2.4663 -2.4663 -2.4637 -2.4637 -2.1436 -2.1436 -2.1169 -2.1169 -2.1143 -2.1143 -0.2745 -0.2745 1.4793 1.4793 1.5165 1.5165 1.9849 1.9849 2.0319 2.0319 2.1157 2.1157 2.6512 2.6512 2.6730 2.6730 2.8179 2.8179 2.8535 2.8535 2.9354 2.9354 3.0131 3.0131 5.1782 5.1782 6.4413 6.4413 6.4577 6.4577 6.4624 6.4624 6.9302 6.9302 7.8972 7.8972 7.9302 7.9302 k = 0.0000 0.1400-0.0000 ( 9178 PWs) bands (ev): -36.4617 -36.4617 -36.4595 -36.4595 -36.4594 -36.4594 -17.7574 -17.7574 -17.7538 -17.7538 -17.7343 -17.7343 -17.4119 -17.4119 -17.3834 -17.3834 -17.3811 -17.3811 -17.3446 -17.3446 -17.3422 -17.3422 -17.3364 -17.3364 -7.9621 -7.9621 -7.4855 -7.4855 -7.4644 -7.4644 -7.4625 -7.4625 -2.4666 -2.4666 -2.4635 -2.4635 -2.1440 -2.1440 -2.1171 -2.1171 -2.1140 -2.1140 -0.2669 -0.2669 1.4822 1.4822 1.5292 1.5292 1.9747 1.9747 2.0292 2.0292 2.1088 2.1088 2.6348 2.6348 2.6616 2.6616 2.8075 2.8075 2.8515 2.8515 2.9196 2.9196 3.0164 3.0164 5.2365 5.2365 6.4522 6.4522 6.4727 6.4727 6.4772 6.4772 6.9731 6.9731 7.8876 7.8876 7.9352 7.9352 k = 0.0000 0.1600-0.0000 ( 9174 PWs) bands (ev): -36.4617 -36.4617 -36.4595 -36.4595 -36.4594 -36.4594 -17.7575 -17.7575 -17.7534 -17.7534 -17.7346 -17.7346 -17.4115 -17.4115 -17.3837 -17.3837 -17.3810 -17.3810 -17.3449 -17.3449 -17.3421 -17.3421 -17.3365 -17.3365 -7.9561 -7.9561 -7.4921 -7.4921 -7.4645 -7.4645 -7.4623 -7.4623 -2.4670 -2.4670 -2.4634 -2.4634 -2.1445 -2.1445 -2.1172 -2.1172 -2.1136 -2.1136 -0.2583 -0.2583 1.4856 1.4856 1.5437 1.5437 1.9640 1.9640 2.0257 2.0257 2.1013 2.1013 2.6141 2.6141 2.6475 2.6475 2.7971 2.7971 2.8492 2.8492 2.9057 2.9057 3.0201 3.0201 5.3013 5.3013 6.4654 6.4654 6.4896 6.4896 6.4937 6.4937 7.0215 7.0215 7.8750 7.8750 7.9408 7.9408 k = 0.0000 0.1800-0.0000 ( 9186 PWs) bands (ev): -36.4616 -36.4616 -36.4595 -36.4595 -36.4594 -36.4594 -17.7577 -17.7577 -17.7530 -17.7530 -17.7349 -17.7349 -17.4111 -17.4111 -17.3841 -17.3841 -17.3810 -17.3810 -17.3451 -17.3451 -17.3419 -17.3419 -17.3366 -17.3366 -7.9494 -7.9494 -7.4994 -7.4994 -7.4646 -7.4646 -7.4622 -7.4622 -2.4675 -2.4675 -2.4633 -2.4633 -2.1449 -2.1449 -2.1173 -2.1173 -2.1134 -2.1134 -0.2490 -0.2490 1.4893 1.4893 1.5599 1.5599 1.9530 1.9530 2.0216 2.0216 2.0933 2.0933 2.5888 2.5888 2.6305 2.6305 2.7869 2.7869 2.8467 2.8467 2.8944 2.8944 3.0240 3.0240 5.3717 5.3717 6.4810 6.4810 6.5079 6.5079 6.5118 6.5118 7.0751 7.0751 7.8592 7.8592 7.9470 7.9470 k = 0.0000 0.2000-0.0000 ( 9154 PWs) bands (ev): -36.4616 -36.4616 -36.4596 -36.4596 -36.4593 -36.4593 -17.7577 -17.7577 -17.7525 -17.7525 -17.7351 -17.7351 -17.4107 -17.4107 -17.3845 -17.3845 -17.3809 -17.3809 -17.3453 -17.3453 -17.3417 -17.3417 -17.3366 -17.3366 -7.9420 -7.9420 -7.5073 -7.5073 -7.4648 -7.4648 -7.4621 -7.4621 -2.4679 -2.4679 -2.4631 -2.4631 -2.1454 -2.1454 -2.1173 -2.1173 -2.1130 -2.1130 -0.2389 -0.2389 1.4933 1.4933 1.5777 1.5777 1.9419 1.9419 2.0171 2.0171 2.0848 2.0848 2.5594 2.5594 2.6105 2.6105 2.7774 2.7774 2.8441 2.8441 2.8859 2.8859 3.0281 3.0281 5.4471 5.4471 6.4989 6.4989 6.5275 6.5275 6.5311 6.5311 7.1336 7.1336 7.8403 7.8403 7.9536 7.9536 k = 0.0000 0.2200-0.0000 ( 9170 PWs) bands (ev): -36.4615 -36.4615 -36.4596 -36.4596 -36.4594 -36.4594 -17.7578 -17.7578 -17.7521 -17.7521 -17.7355 -17.7355 -17.4102 -17.4102 -17.3850 -17.3850 -17.3808 -17.3808 -17.3456 -17.3456 -17.3416 -17.3416 -17.3367 -17.3367 -7.9341 -7.9341 -7.5160 -7.5160 -7.4649 -7.4649 -7.4621 -7.4621 -2.4684 -2.4684 -2.4629 -2.4629 -2.1459 -2.1459 -2.1173 -2.1173 -2.1127 -2.1127 -0.2283 -0.2283 1.4976 1.4976 1.5970 1.5970 1.9310 1.9310 2.0122 2.0122 2.0763 2.0763 2.5267 2.5267 2.5875 2.5875 2.7687 2.7687 2.8414 2.8414 2.8799 2.8799 3.0322 3.0322 5.5270 5.5270 6.5192 6.5192 6.5480 6.5480 6.5513 6.5513 7.1966 7.1966 7.8184 7.8184 7.9605 7.9605 k = 0.0000 0.2400-0.0000 ( 9158 PWs) bands (ev): -36.4615 -36.4615 -36.4596 -36.4596 -36.4594 -36.4594 -17.7579 -17.7579 -17.7516 -17.7516 -17.7359 -17.7359 -17.4096 -17.4096 -17.3855 -17.3855 -17.3807 -17.3807 -17.3459 -17.3459 -17.3414 -17.3414 -17.3368 -17.3368 -7.9256 -7.9256 -7.5251 -7.5251 -7.4650 -7.4650 -7.4620 -7.4620 -2.4688 -2.4688 -2.4627 -2.4627 -2.1464 -2.1464 -2.1173 -2.1173 -2.1124 -2.1124 -0.2173 -0.2173 1.5018 1.5018 1.6177 1.6177 1.9207 1.9207 2.0071 2.0071 2.0676 2.0676 2.4914 2.4914 2.5617 2.5617 2.7611 2.7611 2.8387 2.8387 2.8760 2.8760 3.0364 3.0364 5.6108 5.6108 6.5417 6.5417 6.5692 6.5692 6.5722 6.5722 7.2634 7.2634 7.7942 7.7942 7.9677 7.9677 k = 0.0000 0.2600-0.0000 ( 9158 PWs) bands (ev): -36.4615 -36.4615 -36.4597 -36.4597 -36.4594 -36.4594 -17.7580 -17.7580 -17.7511 -17.7511 -17.7363 -17.7363 -17.4091 -17.4091 -17.3860 -17.3860 -17.3806 -17.3806 -17.3461 -17.3461 -17.3413 -17.3413 -17.3369 -17.3369 -7.9166 -7.9166 -7.5348 -7.5348 -7.4651 -7.4651 -7.4619 -7.4619 -2.4693 -2.4693 -2.4626 -2.4626 -2.1470 -2.1470 -2.1174 -2.1174 -2.1120 -2.1120 -0.2060 -0.2060 1.5060 1.5060 1.6397 1.6397 1.9113 1.9113 2.0021 2.0021 2.0592 2.0592 2.4545 2.4545 2.5333 2.5333 2.7543 2.7543 2.8361 2.8361 2.8737 2.8737 3.0405 3.0405 5.6981 5.6981 6.5662 6.5662 6.5908 6.5908 6.5934 6.5934 7.3332 7.3332 7.7684 7.7684 7.9750 7.9750 k = 0.0000 0.2800-0.0000 ( 9174 PWs) bands (ev): -36.4614 -36.4614 -36.4597 -36.4597 -36.4594 -36.4594 -17.7580 -17.7580 -17.7506 -17.7506 -17.7367 -17.7367 -17.4085 -17.4085 -17.3865 -17.3865 -17.3806 -17.3806 -17.3464 -17.3464 -17.3411 -17.3411 -17.3371 -17.3371 -7.9072 -7.9072 -7.5448 -7.5448 -7.4652 -7.4652 -7.4618 -7.4618 -2.4698 -2.4698 -2.4625 -2.4625 -2.1475 -2.1475 -2.1174 -2.1174 -2.1118 -2.1118 -0.1946 -0.1946 1.5099 1.5099 1.6627 1.6627 1.9034 1.9034 1.9972 1.9972 2.0510 2.0510 2.4166 2.4166 2.5026 2.5026 2.7484 2.7484 2.8336 2.8336 2.8726 2.8726 3.0446 3.0446 5.7883 5.7883 6.5926 6.5926 6.6123 6.6123 6.6146 6.6146 7.4042 7.4042 7.7430 7.7430 7.9823 7.9823 k = 0.0000 0.3000-0.0000 ( 9158 PWs) bands (ev): -36.4614 -36.4614 -36.4598 -36.4598 -36.4594 -36.4594 -17.7581 -17.7581 -17.7500 -17.7500 -17.7371 -17.7371 -17.4079 -17.4079 -17.3871 -17.3871 -17.3805 -17.3805 -17.3466 -17.3466 -17.3409 -17.3409 -17.3372 -17.3372 -7.8976 -7.8976 -7.5552 -7.5552 -7.4653 -7.4653 -7.4618 -7.4618 -2.4703 -2.4703 -2.4623 -2.4623 -2.1480 -2.1480 -2.1173 -2.1173 -2.1114 -2.1114 -0.1833 -0.1833 1.5133 1.5133 1.6864 1.6864 1.8974 1.8974 1.9927 1.9927 2.0433 2.0433 2.3785 2.3785 2.4700 2.4700 2.7433 2.7433 2.8313 2.8313 2.8723 2.8723 3.0484 3.0484 5.8809 5.8809 6.6205 6.6205 6.6335 6.6335 6.6354 6.6354 7.4721 7.4721 7.7223 7.7223 7.9895 7.9895 k = 0.0000 0.3200-0.0000 ( 9150 PWs) bands (ev): -36.4613 -36.4613 -36.4598 -36.4598 -36.4594 -36.4594 -17.7581 -17.7581 -17.7495 -17.7495 -17.7376 -17.7376 -17.4073 -17.4073 -17.3876 -17.3876 -17.3804 -17.3804 -17.3469 -17.3469 -17.3407 -17.3407 -17.3373 -17.3373 -7.8877 -7.8877 -7.5657 -7.5657 -7.4654 -7.4654 -7.4617 -7.4617 -2.4707 -2.4707 -2.4621 -2.4621 -2.1485 -2.1485 -2.1173 -2.1173 -2.1112 -2.1112 -0.1723 -0.1723 1.5161 1.5161 1.7104 1.7104 1.8940 1.8940 1.9887 1.9887 2.0362 2.0362 2.3408 2.3408 2.4359 2.4359 2.7389 2.7389 2.8290 2.8290 2.8727 2.8727 3.0521 3.0521 5.9756 5.9756 6.6494 6.6494 6.6541 6.6541 6.6557 6.6557 7.5255 7.5255 7.7179 7.7179 7.9965 7.9965 k = 0.0000 0.3400-0.0000 ( 9142 PWs) bands (ev): -36.4612 -36.4612 -36.4599 -36.4599 -36.4593 -36.4593 -17.7581 -17.7581 -17.7489 -17.7489 -17.7381 -17.7381 -17.4067 -17.4067 -17.3882 -17.3882 -17.3803 -17.3803 -17.3471 -17.3471 -17.3405 -17.3405 -17.3374 -17.3374 -7.8777 -7.8777 -7.5762 -7.5762 -7.4655 -7.4655 -7.4616 -7.4616 -2.4711 -2.4711 -2.4620 -2.4620 -2.1489 -2.1489 -2.1173 -2.1173 -2.1109 -2.1109 -0.1617 -0.1617 1.5182 1.5182 1.7341 1.7341 1.8937 1.8937 1.9855 1.9855 2.0298 2.0298 2.3038 2.3038 2.4006 2.4006 2.7351 2.7351 2.8270 2.8270 2.8734 2.8734 3.0555 3.0555 6.0718 6.0718 6.6732 6.6732 6.6747 6.6747 6.6797 6.6797 7.5456 7.5456 7.7487 7.7487 8.0031 8.0031 k = 0.0000 0.3600-0.0000 ( 9146 PWs) bands (ev): -36.4612 -36.4612 -36.4599 -36.4599 -36.4594 -36.4594 -17.7582 -17.7582 -17.7484 -17.7484 -17.7385 -17.7385 -17.4061 -17.4061 -17.3887 -17.3887 -17.3802 -17.3802 -17.3473 -17.3473 -17.3404 -17.3404 -17.3376 -17.3376 -7.8679 -7.8679 -7.5866 -7.5866 -7.4655 -7.4655 -7.4616 -7.4616 -2.4715 -2.4715 -2.4618 -2.4618 -2.1494 -2.1494 -2.1172 -2.1172 -2.1106 -2.1106 -0.1518 -0.1518 1.5195 1.5195 1.7566 1.7566 1.8971 1.8971 1.9834 1.9834 2.0245 2.0245 2.2681 2.2681 2.3643 2.3643 2.7318 2.7318 2.8251 2.8251 2.8743 2.8743 3.0586 3.0586 6.1687 6.1687 6.6914 6.6914 6.6925 6.6925 6.7093 6.7093 7.5344 7.5344 7.8128 7.8128 8.0061 8.0063 k = 0.0000 0.3800-0.0000 ( 9154 PWs) bands (ev): -36.4611 -36.4611 -36.4600 -36.4600 -36.4594 -36.4594 -17.7582 -17.7582 -17.7479 -17.7479 -17.7390 -17.7390 -17.4056 -17.4056 -17.3893 -17.3893 -17.3802 -17.3802 -17.3475 -17.3475 -17.3402 -17.3402 -17.3378 -17.3378 -7.8584 -7.8584 -7.5966 -7.5966 -7.4656 -7.4656 -7.4615 -7.4615 -2.4719 -2.4719 -2.4617 -2.4617 -2.1498 -2.1498 -2.1172 -2.1172 -2.1104 -2.1104 -0.1427 -0.1427 1.5201 1.5201 1.7772 1.7772 1.9044 1.9044 1.9828 1.9828 2.0205 2.0205 2.2342 2.2342 2.3276 2.3276 2.7291 2.7291 2.8234 2.8234 2.8753 2.8753 3.0614 3.0614 6.2656 6.2656 6.7078 6.7078 6.7087 6.7087 6.7380 6.7380 7.5099 7.5099 7.8884 7.8884 7.9263 7.9263 k = 0.0000 0.4000-0.0000 ( 9162 PWs) bands (ev): -36.4611 -36.4611 -36.4600 -36.4600 -36.4594 -36.4594 -17.7582 -17.7582 -17.7474 -17.7474 -17.7395 -17.7395 -17.4050 -17.4050 -17.3898 -17.3898 -17.3801 -17.3801 -17.3477 -17.3477 -17.3400 -17.3400 -17.3379 -17.3379 -7.8494 -7.8494 -7.6060 -7.6060 -7.4657 -7.4657 -7.4615 -7.4615 -2.4722 -2.4722 -2.4617 -2.4617 -2.1501 -2.1501 -2.1172 -2.1172 -2.1103 -2.1103 -0.1347 -0.1347 1.5199 1.5199 1.7949 1.7949 1.9152 1.9152 1.9842 1.9842 2.0183 2.0183 2.2024 2.2024 2.2907 2.2907 2.7268 2.7268 2.8220 2.8220 2.8763 2.8763 3.0638 3.0638 6.3612 6.3612 6.7222 6.7222 6.7230 6.7230 6.7645 6.7645 7.4816 7.4816 7.8181 7.8181 7.9809 7.9809 k = 0.0000 0.4200-0.0000 ( 9158 PWs) bands (ev): -36.4611 -36.4611 -36.4601 -36.4601 -36.4594 -36.4594 -17.7583 -17.7583 -17.7469 -17.7469 -17.7400 -17.7400 -17.4046 -17.4046 -17.3902 -17.3902 -17.3801 -17.3801 -17.3478 -17.3478 -17.3398 -17.3398 -17.3381 -17.3381 -7.8413 -7.8413 -7.6145 -7.6145 -7.4657 -7.4657 -7.4615 -7.4615 -2.4724 -2.4724 -2.4616 -2.4616 -2.1504 -2.1504 -2.1172 -2.1172 -2.1101 -2.1101 -0.1279 -0.1279 1.5194 1.5194 1.8092 1.8092 1.9277 1.9277 1.9880 1.9880 2.0192 2.0192 2.1736 2.1736 2.2542 2.2542 2.7249 2.7249 2.8208 2.8208 2.8772 2.8772 3.0658 3.0658 6.4538 6.4538 6.7343 6.7343 6.7350 6.7350 6.7868 6.7868 7.4545 7.4545 7.7217 7.7217 8.0240 8.0240 k = 0.0000 0.4400-0.0000 ( 9158 PWs) bands (ev): -36.4610 -36.4610 -36.4601 -36.4601 -36.4594 -36.4594 -17.7583 -17.7583 -17.7465 -17.7465 -17.7404 -17.7404 -17.4042 -17.4042 -17.3906 -17.3906 -17.3800 -17.3800 -17.3479 -17.3479 -17.3397 -17.3397 -17.3382 -17.3382 -7.8344 -7.8344 -7.6217 -7.6217 -7.4657 -7.4657 -7.4615 -7.4615 -2.4726 -2.4726 -2.4615 -2.4615 -2.1506 -2.1506 -2.1172 -2.1172 -2.1100 -2.1100 -0.1224 -0.1224 1.5186 1.5186 1.8202 1.8202 1.9391 1.9391 1.9936 1.9936 2.0254 2.0254 2.1483 2.1483 2.2187 2.2187 2.7235 2.7235 2.8199 2.8199 2.8780 2.8780 3.0673 3.0673 6.5409 6.5409 6.7440 6.7440 6.7447 6.7447 6.8025 6.8025 7.4317 7.4317 7.6336 7.6336 8.0283 8.0283 k = 0.0000 0.4600-0.0000 ( 9142 PWs) bands (ev): -36.4610 -36.4610 -36.4601 -36.4601 -36.4593 -36.4593 -17.7582 -17.7582 -17.7461 -17.7461 -17.7407 -17.7407 -17.4038 -17.4038 -17.3909 -17.3909 -17.3800 -17.3800 -17.3480 -17.3480 -17.3395 -17.3395 -17.3383 -17.3383 -7.8291 -7.8291 -7.6272 -7.6272 -7.4658 -7.4658 -7.4614 -7.4614 -2.4727 -2.4727 -2.4614 -2.4614 -2.1507 -2.1507 -2.1171 -2.1171 -2.1099 -2.1099 -0.1184 -0.1184 1.5179 1.5179 1.8280 1.8280 1.9471 1.9471 1.9986 1.9986 2.0390 2.0390 2.1278 2.1278 2.1856 2.1856 2.7224 2.7224 2.8192 2.8192 2.8786 2.8786 3.0685 3.0685 6.6181 6.6181 6.7510 6.7510 6.7517 6.7517 6.8088 6.8088 7.4162 7.4162 7.5592 7.5592 8.0310 8.0310 k = 0.0000 0.4800-0.0000 ( 9138 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7582 -17.7582 -17.7458 -17.7458 -17.7410 -17.7410 -17.4036 -17.4036 -17.3910 -17.3910 -17.3800 -17.3800 -17.3480 -17.3480 -17.3394 -17.3394 -17.3384 -17.3384 -7.8257 -7.8257 -7.6307 -7.6307 -7.4658 -7.4658 -7.4614 -7.4614 -2.4728 -2.4728 -2.4614 -2.4614 -2.1508 -2.1508 -2.1171 -2.1171 -2.1098 -2.1098 -0.1160 -0.1160 1.5173 1.5173 1.8327 1.8327 1.9516 1.9516 2.0019 2.0019 2.0570 2.0570 2.1133 2.1133 2.1582 2.1582 2.7218 2.7218 2.8188 2.8188 2.8789 2.8789 3.0691 3.0691 6.6780 6.6780 6.7553 6.7553 6.7560 6.7560 6.8043 6.8043 7.4102 7.4102 7.5056 7.5056 8.0326 8.0326 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7582 -17.7582 -17.7457 -17.7457 -17.7410 -17.7410 -17.4035 -17.4035 -17.3911 -17.3911 -17.3800 -17.3800 -17.3481 -17.3481 -17.3394 -17.3394 -17.3384 -17.3384 -7.8246 -7.8246 -7.6319 -7.6319 -7.4658 -7.4658 -7.4614 -7.4614 -2.4728 -2.4728 -2.4614 -2.4614 -2.1509 -2.1509 -2.1171 -2.1171 -2.1098 -2.1098 -0.1151 -0.1151 1.5171 1.5171 1.8343 1.8343 1.9530 1.9530 2.0031 2.0031 2.0674 2.0674 2.1071 2.1071 2.1461 2.1461 2.7216 2.7216 2.8186 2.8186 2.8790 2.8790 3.0694 3.0694 6.7039 6.7039 6.7568 6.7568 6.7574 6.7574 6.7981 6.7981 7.4102 7.4102 7.4846 7.4846 8.0331 8.0331 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7582 -17.7582 -17.7457 -17.7457 -17.7410 -17.7410 -17.4035 -17.4035 -17.3911 -17.3911 -17.3800 -17.3800 -17.3481 -17.3481 -17.3394 -17.3394 -17.3384 -17.3384 -7.8246 -7.8246 -7.6319 -7.6319 -7.4658 -7.4658 -7.4614 -7.4614 -2.4728 -2.4728 -2.4614 -2.4614 -2.1509 -2.1509 -2.1171 -2.1171 -2.1098 -2.1098 -0.1151 -0.1151 1.5171 1.5171 1.8343 1.8343 1.9530 1.9530 2.0031 2.0031 2.0674 2.0674 2.1071 2.1071 2.1461 2.1461 2.7216 2.7216 2.8186 2.8186 2.8790 2.8790 3.0694 3.0694 6.7039 6.7039 6.7568 6.7568 6.7574 6.7574 6.7981 6.7981 7.4102 7.4102 7.4846 7.4846 8.0331 8.0331 k = 0.0200 0.5000-0.0000 ( 9132 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7583 -17.7581 -17.7458 -17.7456 -17.7413 -17.7408 -17.4036 -17.4035 -17.3911 -17.3911 -17.3801 -17.3799 -17.3482 -17.3479 -17.3398 -17.3392 -17.3384 -17.3382 -7.8244 -7.8242 -7.6318 -7.6317 -7.4660 -7.4660 -7.4616 -7.4616 -2.4730 -2.4727 -2.4616 -2.4612 -2.1512 -2.1505 -2.1174 -2.1168 -2.1100 -2.1095 -0.1155 -0.1149 1.5161 1.5182 1.8287 1.8293 1.9384 1.9445 1.9969 2.0234 2.0555 2.0867 2.1043 2.1103 2.1524 2.1532 2.7183 2.7250 2.8175 2.8193 2.8775 2.8800 3.0682 3.0694 6.6979 6.7006 6.7402 6.7426 6.7646 6.7657 6.8166 6.8166 7.4097 7.4118 7.4836 7.4855 8.0328 8.0330 k = 0.0400 0.5000-0.0000 ( 9152 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4594 -17.7584 -17.7580 -17.7460 -17.7456 -17.7415 -17.7406 -17.4037 -17.4034 -17.3911 -17.3911 -17.3803 -17.3799 -17.3484 -17.3477 -17.3403 -17.3393 -17.3381 -17.3380 -7.8237 -7.8234 -7.6313 -7.6311 -7.4667 -7.4666 -7.4623 -7.4622 -2.4730 -2.4726 -2.4619 -2.4610 -2.1516 -2.1501 -2.1176 -2.1166 -2.1103 -2.1093 -0.1159 -0.1148 1.5151 1.5193 1.8129 1.8145 1.9142 1.9208 1.9982 2.0373 2.0635 2.0961 2.1121 2.1147 2.1694 2.1747 2.7150 2.7285 2.8161 2.8196 2.8753 2.8802 3.0658 3.0684 6.6882 6.6923 6.7154 6.7190 6.7835 6.7848 6.8490 6.8502 7.4102 7.4145 7.4825 7.4863 8.0321 8.0324 k = 0.0600 0.5000-0.0000 ( 9158 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7578 -17.7461 -17.7455 -17.7418 -17.7405 -17.4037 -17.4032 -17.3911 -17.3911 -17.3805 -17.3799 -17.3486 -17.3475 -17.3407 -17.3395 -17.3377 -17.3377 -7.8225 -7.8221 -7.6305 -7.6302 -7.4679 -7.4676 -7.4633 -7.4632 -2.4730 -2.4724 -2.4621 -2.4609 -2.1519 -2.1497 -2.1178 -2.1163 -2.1106 -2.1090 -0.1164 -0.1148 1.5140 1.5204 1.7869 1.7939 1.8898 1.8916 2.0008 2.0396 2.0835 2.0946 2.1248 2.1299 2.1941 2.2075 2.7117 2.7320 2.8145 2.8195 2.8723 2.8798 3.0624 3.0662 6.6793 6.6846 6.6920 6.6967 6.8086 6.8096 6.8858 6.8882 7.4117 7.4180 7.4814 7.4871 8.0310 8.0315 k = 0.0800 0.5000-0.0000 ( 9158 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7576 -17.7462 -17.7454 -17.7422 -17.7404 -17.4036 -17.4030 -17.3911 -17.3911 -17.3807 -17.3799 -17.3488 -17.3474 -17.3412 -17.3398 -17.3375 -17.3372 -7.8208 -7.8203 -7.6294 -7.6289 -7.4695 -7.4691 -7.4648 -7.4645 -2.4730 -2.4722 -2.4624 -2.4608 -2.1522 -2.1493 -2.1180 -2.1160 -2.1108 -2.1088 -0.1170 -0.1149 1.5127 1.5216 1.7544 1.7684 1.8614 1.8665 2.0037 2.0418 2.0930 2.0954 2.1445 2.1483 2.2247 2.2464 2.7086 2.7356 2.8128 2.8191 2.8687 2.8786 3.0580 3.0631 6.6712 6.6731 6.6769 6.6794 6.8376 6.8382 6.9253 6.9293 7.4142 7.4224 7.4803 7.4880 8.0296 8.0304 k = 0.1000 0.5000-0.0000 ( 9168 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7574 -17.7464 -17.7453 -17.7425 -17.7403 -17.4035 -17.4028 -17.3911 -17.3911 -17.3810 -17.3800 -17.3490 -17.3473 -17.3417 -17.3400 -17.3372 -17.3368 -7.8187 -7.8180 -7.6279 -7.6274 -7.4717 -7.4711 -7.4665 -7.4661 -2.4729 -2.4720 -2.4627 -2.4607 -2.1525 -2.1490 -2.1181 -2.1158 -2.1110 -2.1086 -0.1176 -0.1151 1.5110 1.5227 1.7186 1.7396 1.8323 1.8439 2.0067 2.0450 2.0920 2.1013 2.1675 2.1689 2.2595 2.2881 2.7055 2.7393 2.8110 2.8183 2.8642 2.8768 3.0526 3.0592 6.6535 6.6600 6.6699 6.6772 6.8697 6.8699 6.9672 6.9726 7.4177 7.4276 7.4795 7.4893 8.0280 8.0290 k = 0.1200 0.5000-0.0000 ( 9176 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7572 -17.7465 -17.7452 -17.7429 -17.7402 -17.4034 -17.4025 -17.3911 -17.3911 -17.3813 -17.3801 -17.3492 -17.3472 -17.3421 -17.3403 -17.3369 -17.3363 -7.8161 -7.8152 -7.6261 -7.6254 -7.4744 -7.4736 -7.4685 -7.4680 -2.4728 -2.4718 -2.4630 -2.4606 -2.1527 -2.1486 -2.1182 -2.1156 -2.1111 -2.1085 -0.1183 -0.1154 1.5087 1.5238 1.6814 1.7089 1.8050 1.8218 2.0100 2.0490 2.0916 2.1052 2.1873 2.1936 2.2968 2.3309 2.7026 2.7430 2.8093 2.8173 2.8589 2.8742 3.0466 3.0545 6.6387 6.6461 6.6701 6.6785 6.9041 6.9042 7.0107 7.0178 7.4220 7.4335 7.4793 7.4913 8.0262 8.0275 k = 0.1400 0.5000-0.0000 ( 9174 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7584 -17.7569 -17.7466 -17.7451 -17.7433 -17.7402 -17.4032 -17.4023 -17.3911 -17.3910 -17.3817 -17.3802 -17.3493 -17.3471 -17.3425 -17.3406 -17.3366 -17.3358 -7.8130 -7.8121 -7.6239 -7.6232 -7.4776 -7.4766 -7.4708 -7.4701 -2.4727 -2.4715 -2.4633 -2.4606 -2.1529 -2.1483 -2.1182 -2.1154 -2.1112 -2.1083 -0.1191 -0.1158 1.5052 1.5246 1.6440 1.6780 1.7795 1.8001 2.0137 2.0538 2.0918 2.1087 2.2070 2.2171 2.3352 2.3738 2.7001 2.7468 2.8077 2.8161 2.8528 2.8708 3.0399 3.0493 6.6271 6.6351 6.6736 6.6831 6.9403 6.9408 7.0552 7.0641 7.4273 7.4399 7.4801 7.4944 8.0244 8.0259 k = 0.1600 0.5000-0.0000 ( 9170 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4595 -36.4595 -17.7583 -17.7566 -17.7468 -17.7450 -17.7437 -17.7402 -17.4030 -17.4019 -17.3911 -17.3910 -17.3821 -17.3804 -17.3494 -17.3471 -17.3428 -17.3408 -17.3363 -17.3354 -7.8095 -7.8085 -7.6215 -7.6207 -7.4813 -7.4801 -7.4733 -7.4724 -2.4724 -2.4712 -2.4636 -2.4606 -2.1530 -2.1480 -2.1182 -2.1152 -2.1112 -2.1082 -0.1199 -0.1163 1.4999 1.5250 1.6073 1.6484 1.7556 1.7790 2.0178 2.0592 2.0927 2.1122 2.2262 2.2388 2.3736 2.4163 2.6982 2.7507 2.8063 2.8145 2.8461 2.8668 3.0327 3.0437 6.6184 6.6271 6.6806 6.6912 6.9779 6.9788 7.0998 7.1105 7.4334 7.4469 7.4828 7.4995 8.0226 8.0245 k = 0.1800 0.5000-0.0000 ( 9172 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4595 -36.4595 -17.7581 -17.7563 -17.7469 -17.7449 -17.7441 -17.7402 -17.4027 -17.4016 -17.3912 -17.3909 -17.3825 -17.3806 -17.3496 -17.3471 -17.3432 -17.3411 -17.3360 -17.3350 -7.8057 -7.8045 -7.6188 -7.6178 -7.4854 -7.4841 -7.4760 -7.4750 -2.4722 -2.4709 -2.4640 -2.4606 -2.1531 -2.1478 -2.1181 -2.1152 -2.1112 -2.1081 -0.1207 -0.1168 1.4919 1.5244 1.5722 1.6217 1.7332 1.7587 2.0225 2.0653 2.0944 2.1162 2.2442 2.2581 2.4112 2.4579 2.6971 2.7547 2.8050 2.8123 2.8393 2.8623 3.0254 3.0378 6.6127 6.6218 6.6909 6.7026 7.0164 7.0176 7.1433 7.1559 7.4407 7.4546 7.4883 7.5074 8.0210 8.0232 k = 0.2000 0.5000-0.0000 ( 9178 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4595 -36.4595 -17.7580 -17.7560 -17.7471 -17.7448 -17.7446 -17.7402 -17.4024 -17.4012 -17.3912 -17.3908 -17.3829 -17.3809 -17.3497 -17.3471 -17.3435 -17.3414 -17.3357 -17.3346 -7.8015 -7.8002 -7.6157 -7.6147 -7.4899 -7.4885 -7.4789 -7.4779 -2.4719 -2.4707 -2.4643 -2.4607 -2.1532 -2.1476 -2.1180 -2.1151 -2.1110 -2.1080 -0.1215 -0.1175 1.4802 1.5194 1.5425 1.5993 1.7123 1.7393 2.0280 2.0720 2.0969 2.1205 2.2607 2.2749 2.4472 2.4984 2.6973 2.7588 2.8038 2.8084 2.8334 2.8576 3.0178 3.0319 6.6098 6.6193 6.7044 6.7173 7.0550 7.0566 7.1841 7.1982 7.4492 7.4633 7.4985 7.5198 8.0196 8.0221 k = 0.2200 0.5000-0.0000 ( 9178 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4595 -36.4595 -17.7578 -17.7557 -17.7473 -17.7451 -17.7446 -17.7403 -17.4021 -17.4009 -17.3913 -17.3908 -17.3834 -17.3811 -17.3497 -17.3472 -17.3437 -17.3417 -17.3353 -17.3342 -7.7969 -7.7955 -7.6124 -7.6113 -7.4948 -7.4932 -7.4821 -7.4809 -2.4716 -2.4704 -2.4646 -2.4607 -2.1532 -2.1474 -2.1178 -2.1151 -2.1109 -2.1080 -0.1224 -0.1182 1.4641 1.4970 1.5313 1.5822 1.6929 1.7210 2.0342 2.0794 2.1002 2.1255 2.2751 2.2886 2.4809 2.5372 2.6991 2.7628 2.8020 2.8027 2.8298 2.8529 3.0103 3.0258 6.6096 6.6194 6.7210 6.7350 7.0927 7.0947 7.2201 7.2351 7.4595 7.4733 7.5154 7.5383 8.0185 8.0214 k = 0.2400 0.5000-0.0000 ( 9180 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4596 -36.4596 -17.7576 -17.7554 -17.7474 -17.7456 -17.7445 -17.7404 -17.4018 -17.4005 -17.3913 -17.3907 -17.3839 -17.3814 -17.3498 -17.3473 -17.3439 -17.3419 -17.3350 -17.3339 -7.7921 -7.7907 -7.6089 -7.6077 -7.4999 -7.4982 -7.4855 -7.4843 -2.4713 -2.4702 -2.4648 -2.4609 -2.1532 -2.1473 -2.1176 -2.1151 -2.1107 -2.1080 -0.1232 -0.1189 1.4444 1.4670 1.5289 1.5700 1.6750 1.7038 2.0412 2.0874 2.1044 2.1311 2.2871 2.2990 2.5115 2.5742 2.7029 2.7659 2.7942 2.8016 2.8285 2.8486 3.0029 3.0198 6.6119 6.6219 6.7404 6.7555 7.1286 7.1310 7.2497 7.2644 7.4721 7.4852 7.5410 7.5644 8.0177 8.0211 k = 0.2600 0.5000-0.0000 ( 9188 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4596 -36.4596 -17.7574 -17.7550 -17.7476 -17.7461 -17.7444 -17.7405 -17.4014 -17.4001 -17.3914 -17.3906 -17.3844 -17.3817 -17.3498 -17.3474 -17.3441 -17.3422 -17.3347 -17.3336 -7.7871 -7.7856 -7.6051 -7.6038 -7.5052 -7.5035 -7.4892 -7.4878 -2.4709 -2.4700 -2.4651 -2.4610 -2.1531 -2.1473 -2.1174 -2.1152 -2.1105 -2.1080 -0.1240 -0.1197 1.4224 1.4376 1.5274 1.5613 1.6587 1.6878 2.0491 2.0960 2.1096 2.1373 2.2966 2.3059 2.5383 2.6089 2.7090 2.7645 2.7893 2.8006 2.8289 2.8453 2.9955 3.0138 6.6165 6.6265 6.7624 6.7785 7.1616 7.1643 7.2719 7.2851 7.4877 7.4998 7.5763 7.5990 8.0174 8.0213 k = 0.2800 0.5000-0.0000 ( 9192 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4597 -36.4597 -17.7571 -17.7547 -17.7478 -17.7466 -17.7443 -17.7406 -17.4010 -17.3997 -17.3915 -17.3906 -17.3849 -17.3820 -17.3499 -17.3476 -17.3443 -17.3425 -17.3344 -17.3333 -7.7818 -7.7803 -7.6010 -7.5997 -7.5107 -7.5090 -7.4930 -7.4916 -2.4706 -2.4697 -2.4653 -2.4611 -2.1530 -2.1473 -2.1171 -2.1152 -2.1103 -2.1081 -0.1247 -0.1205 1.3997 1.4099 1.5259 1.5547 1.6440 1.6731 2.0578 2.1051 2.1157 2.1441 2.3034 2.3094 2.5604 2.6408 2.7174 2.7560 2.7913 2.8001 2.8304 2.8431 2.9883 3.0078 6.6231 6.6330 6.7867 6.8038 7.1906 7.1936 7.2870 7.2978 7.5069 7.5176 7.6200 7.6414 8.0175 8.0220 k = 0.3000 0.5000-0.0000 ( 9200 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4597 -36.4597 -17.7568 -17.7544 -17.7480 -17.7471 -17.7442 -17.7407 -17.4006 -17.3993 -17.3917 -17.3905 -17.3853 -17.3823 -17.3499 -17.3477 -17.3444 -17.3427 -17.3341 -17.3330 -7.7765 -7.7750 -7.5968 -7.5954 -7.5163 -7.5145 -7.4970 -7.4956 -2.4702 -2.4696 -2.4655 -2.4613 -2.1529 -2.1474 -2.1168 -2.1152 -2.1101 -2.1082 -0.1254 -0.1214 1.3772 1.3841 1.5241 1.5494 1.6312 1.6597 2.0674 2.1147 2.1227 2.1516 2.3074 2.3095 2.5771 2.6686 2.7281 2.7445 2.7972 2.8005 2.8328 2.8422 2.9813 3.0017 6.6314 6.6411 6.8128 6.8308 7.2149 7.2179 7.2962 7.3046 7.5298 7.5392 7.6700 7.6900 8.0183 8.0234 k = 0.3200 0.5000-0.0000 ( 9200 PWs) bands (ev): -36.4606 -36.4606 -36.4602 -36.4602 -36.4597 -36.4597 -17.7565 -17.7540 -17.7482 -17.7476 -17.7441 -17.7409 -17.4001 -17.3989 -17.3918 -17.3905 -17.3858 -17.3827 -17.3499 -17.3479 -17.3446 -17.3430 -17.3339 -17.3328 -7.7712 -7.7696 -7.5924 -7.5910 -7.5219 -7.5201 -7.5013 -7.4997 -2.4698 -2.4694 -2.4657 -2.4615 -2.1527 -2.1475 -2.1165 -2.1152 -2.1099 -2.1082 -0.1261 -0.1222 1.3558 1.3604 1.5221 1.5445 1.6201 1.6477 2.0777 2.1248 2.1306 2.1594 2.3066 2.3087 2.5883 2.6884 2.7365 2.7405 2.8024 2.8048 2.8359 2.8427 2.9743 2.9956 6.6410 6.6505 6.8404 6.8590 7.2343 7.2370 7.3011 7.3071 7.5564 7.5645 7.7239 7.7428 8.0199 8.0257 k = 0.3400 0.5000-0.0000 ( 9196 PWs) bands (ev): -36.4606 -36.4606 -36.4602 -36.4602 -36.4598 -36.4598 -17.7562 -17.7536 -17.7484 -17.7481 -17.7439 -17.7410 -17.3996 -17.3984 -17.3919 -17.3905 -17.3861 -17.3830 -17.3498 -17.3480 -17.3446 -17.3432 -17.3336 -17.3326 -7.7659 -7.7644 -7.5879 -7.5864 -7.5273 -7.5256 -7.5056 -7.5041 -2.4695 -2.4692 -2.4657 -2.4617 -2.1525 -2.1477 -2.1162 -2.1151 -2.1097 -2.1083 -0.1266 -0.1230 1.3360 1.3389 1.5199 1.5398 1.6110 1.6370 2.0887 2.1353 2.1391 2.1676 2.3010 2.3076 2.5944 2.6909 2.7420 2.7538 2.8059 2.8131 2.8398 2.8445 2.9675 2.9893 6.6516 6.6606 6.8687 6.8878 7.2494 7.2513 7.3029 7.3070 7.5856 7.5927 7.7795 7.7979 8.0225 8.0292 k = 0.3600 0.5000-0.0000 ( 9182 PWs) bands (ev): -36.4605 -36.4605 -36.4602 -36.4602 -36.4598 -36.4598 -17.7558 -17.7533 -17.7487 -17.7486 -17.7438 -17.7412 -17.3991 -17.3980 -17.3921 -17.3906 -17.3864 -17.3834 -17.3498 -17.3482 -17.3447 -17.3434 -17.3333 -17.3324 -7.7608 -7.7594 -7.5832 -7.5816 -7.5326 -7.5309 -7.5102 -7.5085 -2.4692 -2.4691 -2.4657 -2.4619 -2.1522 -2.1479 -2.1159 -2.1151 -2.1095 -2.1084 -0.1271 -0.1238 1.3180 1.3198 1.5176 1.5351 1.6037 1.6275 2.1004 2.1461 2.1483 2.1759 2.2932 2.3042 2.5964 2.6798 2.7576 2.7671 2.8107 2.8216 2.8446 2.8478 2.9607 2.9828 6.6628 6.6711 6.8972 6.9164 7.2608 7.2616 7.3027 7.3053 7.6162 7.6224 7.8347 7.8531 8.0269 8.0347 k = 0.3800 0.5000-0.0000 ( 9198 PWs) bands (ev): -36.4605 -36.4605 -36.4602 -36.4602 -36.4599 -36.4599 -17.7554 -17.7530 -17.7492 -17.7489 -17.7436 -17.7414 -17.3986 -17.3976 -17.3923 -17.3908 -17.3866 -17.3838 -17.3498 -17.3484 -17.3448 -17.3437 -17.3331 -17.3323 -7.7560 -7.7546 -7.5783 -7.5768 -7.5375 -7.5360 -7.5148 -7.5132 -2.4690 -2.4690 -2.4657 -2.4622 -2.1520 -2.1481 -2.1156 -2.1150 -2.1094 -2.1085 -0.1275 -0.1246 1.3020 1.3032 1.5154 1.5304 1.5982 1.6193 2.1126 2.1569 2.1579 2.1840 2.2837 2.2988 2.5956 2.6651 2.7734 2.7798 2.8160 2.8298 2.8503 2.8525 2.9542 2.9762 6.6739 6.6815 6.9250 6.9438 7.2690 7.2695 7.3012 7.3026 7.6462 7.6518 7.8866 7.9054 8.0349 8.0429 k = 0.4000 0.5000-0.0000 ( 9196 PWs) bands (ev): -36.4604 -36.4604 -36.4602 -36.4602 -36.4599 -36.4599 -17.7550 -17.7526 -17.7497 -17.7492 -17.7435 -17.7416 -17.3981 -17.3973 -17.3924 -17.3911 -17.3867 -17.3841 -17.3497 -17.3485 -17.3448 -17.3439 -17.3329 -17.3322 -7.7515 -7.7503 -7.5735 -7.5719 -7.5419 -7.5406 -7.5195 -7.5179 -2.4689 -2.4688 -2.4656 -2.4625 -2.1517 -2.1484 -2.1153 -2.1150 -2.1092 -2.1086 -0.1278 -0.1253 1.2883 1.2890 1.5134 1.5258 1.5942 1.6122 2.1252 2.1674 2.1675 2.1918 2.2729 2.2917 2.5931 2.6498 2.7868 2.7912 2.8214 2.8376 2.8567 2.8583 2.9480 2.9693 6.6847 6.6913 6.9513 6.9691 7.2745 7.2762 7.2989 7.2996 7.6739 7.6789 7.9312 7.9492 8.0481 8.0509 k = 0.4200 0.5000-0.0000 ( 9200 PWs) bands (ev): -36.4604 -36.4604 -36.4602 -36.4602 -36.4600 -36.4600 -17.7546 -17.7524 -17.7501 -17.7494 -17.7433 -17.7418 -17.3976 -17.3969 -17.3926 -17.3914 -17.3866 -17.3845 -17.3496 -17.3487 -17.3448 -17.3441 -17.3327 -17.3321 -7.7476 -7.7466 -7.5686 -7.5670 -7.5458 -7.5446 -7.5243 -7.5226 -2.4689 -2.4687 -2.4653 -2.4627 -2.1514 -2.1487 -2.1151 -2.1149 -2.1092 -2.1087 -0.1280 -0.1259 1.2769 1.2773 1.5117 1.5216 1.5916 1.6062 2.1381 2.1770 2.1772 2.1993 2.2612 2.2833 2.5904 2.6352 2.7970 2.8006 2.8269 2.8445 2.8635 2.8647 2.9425 2.9623 6.6945 6.7000 6.9752 6.9911 7.2789 7.2815 7.2965 7.2967 7.6977 7.7020 7.9636 7.9776 8.0313 8.0400 k = 0.4400 0.5000-0.0000 ( 9192 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4600 -36.4600 -17.7541 -17.7522 -17.7505 -17.7497 -17.7431 -17.7420 -17.3971 -17.3966 -17.3927 -17.3918 -17.3865 -17.3849 -17.3495 -17.3488 -17.3448 -17.3442 -17.3325 -17.3321 -7.7444 -7.7436 -7.5637 -7.5622 -7.5489 -7.5480 -7.5290 -7.5273 -2.4688 -2.4687 -2.4650 -2.4630 -2.1510 -2.1490 -2.1150 -2.1148 -2.1091 -2.1087 -0.1281 -0.1265 1.2680 1.2682 1.5105 1.5178 1.5902 1.6012 2.1510 2.1849 2.1860 2.2067 2.2494 2.2738 2.5884 2.6218 2.8042 2.8074 2.8331 2.8500 2.8699 2.8708 2.9381 2.9552 6.7029 6.7072 6.9956 7.0088 7.2825 7.2856 7.2942 7.2943 7.7161 7.7196 7.9830 7.9914 8.0163 8.0233 k = 0.4600 0.5000-0.0000 ( 9202 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4601 -36.4601 -17.7537 -17.7522 -17.7507 -17.7499 -17.7430 -17.7422 -17.3968 -17.3964 -17.3928 -17.3922 -17.3864 -17.3852 -17.3494 -17.3490 -17.3447 -17.3444 -17.3324 -17.3321 -7.7419 -7.7413 -7.5591 -7.5577 -7.5512 -7.5505 -7.5334 -7.5319 -2.4687 -2.4687 -2.4647 -2.4634 -2.1507 -2.1493 -2.1149 -2.1148 -2.1090 -2.1088 -0.1281 -0.1270 1.2616 1.2616 1.5098 1.5147 1.5898 1.5972 2.1636 2.1892 2.1944 2.2138 2.2391 2.2635 2.5879 2.6102 2.8090 2.8114 2.8398 2.8531 2.8754 2.8759 2.9354 2.9484 6.7095 6.7124 7.0117 7.0212 7.2854 7.2881 7.2926 7.2928 7.7287 7.7312 7.9934 7.9971 8.0067 8.0123 k = 0.4800 0.5000-0.0000 ( 9202 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4601 -36.4601 -17.7532 -17.7524 -17.7506 -17.7502 -17.7428 -17.7424 -17.3965 -17.3963 -17.3928 -17.3925 -17.3861 -17.3855 -17.3493 -17.3491 -17.3447 -17.3445 -17.3323 -17.3321 -7.7403 -7.7400 -7.5552 -7.5543 -7.5525 -7.5521 -7.5369 -7.5358 -2.4687 -2.4687 -2.4644 -2.4637 -2.1504 -2.1497 -2.1148 -2.1148 -2.1090 -2.1089 -0.1280 -0.1274 1.2577 1.2577 1.5099 1.5123 1.5904 1.5941 2.1752 2.1891 2.2021 2.2157 2.2358 2.2530 2.5897 2.6008 2.8120 2.8132 2.8461 2.8535 2.8791 2.8792 2.9352 2.9423 6.7139 6.7154 7.0228 7.0277 7.2872 7.2886 7.2923 7.2924 7.7360 7.7372 7.9977 7.9984 8.0031 8.0068 k = 0.5000 0.5000-0.0000 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7505 -17.7505 -17.7426 -17.7426 -17.3963 -17.3963 -17.3927 -17.3927 -17.3859 -17.3859 -17.3492 -17.3492 -17.3446 -17.3446 -17.3322 -17.3322 -7.7397 -7.7397 -7.5534 -7.5534 -7.5525 -7.5525 -7.5380 -7.5380 -2.4687 -2.4687 -2.4641 -2.4641 -2.1500 -2.1500 -2.1148 -2.1148 -2.1090 -2.1090 -0.1277 -0.1277 1.2564 1.2564 1.5107 1.5107 1.5918 1.5918 2.1842 2.1842 2.2096 2.2096 2.2429 2.2429 2.5939 2.5939 2.8133 2.8133 2.8510 2.8510 2.8804 2.8804 2.9376 2.9376 6.7159 6.7159 7.0282 7.0282 7.2881 7.2881 7.2925 7.2925 7.7387 7.7387 7.9980 7.9980 8.0045 8.0045 k = 0.5000 0.5000-0.0000 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7505 -17.7505 -17.7426 -17.7426 -17.3963 -17.3963 -17.3927 -17.3927 -17.3859 -17.3859 -17.3492 -17.3492 -17.3446 -17.3446 -17.3322 -17.3322 -7.7397 -7.7397 -7.5534 -7.5534 -7.5525 -7.5525 -7.5380 -7.5380 -2.4687 -2.4687 -2.4641 -2.4641 -2.1500 -2.1500 -2.1148 -2.1148 -2.1090 -2.1090 -0.1277 -0.1277 1.2564 1.2564 1.5107 1.5107 1.5918 1.5918 2.1842 2.1842 2.2096 2.2096 2.2429 2.2429 2.5939 2.5939 2.8133 2.8133 2.8510 2.8510 2.8804 2.8804 2.9376 2.9376 6.7159 6.7159 7.0282 7.0282 7.2881 7.2881 7.2925 7.2925 7.7387 7.7387 7.9980 7.9980 8.0045 8.0045 k = 0.4857 0.4857-0.0000 ( 9202 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4601 -36.4601 -17.7532 -17.7524 -17.7506 -17.7502 -17.7428 -17.7424 -17.3964 -17.3963 -17.3928 -17.3925 -17.3861 -17.3855 -17.3493 -17.3491 -17.3447 -17.3445 -17.3323 -17.3321 -7.7403 -7.7400 -7.5546 -7.5544 -7.5527 -7.5524 -7.5369 -7.5357 -2.4687 -2.4687 -2.4644 -2.4637 -2.1504 -2.1497 -2.1148 -2.1148 -2.1090 -2.1089 -0.1280 -0.1274 1.2577 1.2577 1.5099 1.5124 1.5903 1.5941 2.1751 2.1882 2.2034 2.2155 2.2355 2.2531 2.5896 2.6009 2.8119 2.8133 2.8461 2.8535 2.8791 2.8792 2.9352 2.9423 6.7138 6.7153 7.0229 7.0279 7.2852 7.2855 7.2944 7.2951 7.7361 7.7373 7.9956 7.9962 8.0058 8.0086 k = 0.4714 0.4714-0.0000 ( 9200 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4601 -36.4601 -17.7537 -17.7521 -17.7508 -17.7498 -17.7430 -17.7422 -17.3967 -17.3965 -17.3928 -17.3922 -17.3864 -17.3852 -17.3494 -17.3490 -17.3447 -17.3444 -17.3324 -17.3321 -7.7420 -7.7414 -7.5577 -7.5571 -7.5521 -7.5520 -7.5332 -7.5315 -2.4687 -2.4686 -2.4648 -2.4634 -2.1507 -2.1493 -2.1148 -2.1148 -2.1090 -2.1088 -0.1281 -0.1270 1.2617 1.2617 1.5098 1.5148 1.5898 1.5973 2.1632 2.1816 2.2047 2.2142 2.2359 2.2639 2.5879 2.6104 2.8085 2.8118 2.8398 2.8531 2.8751 2.8759 2.9356 2.9484 6.7083 6.7112 7.0143 7.0235 7.2726 7.2728 7.3038 7.3053 7.7303 7.7325 7.9830 7.9862 8.0187 8.0222 k = 0.4571 0.4571-0.0000 ( 9200 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4600 -36.4600 -17.7542 -17.7519 -17.7510 -17.7494 -17.7432 -17.7419 -17.3971 -17.3968 -17.3926 -17.3919 -17.3865 -17.3849 -17.3495 -17.3488 -17.3448 -17.3442 -17.3325 -17.3321 -7.7447 -7.7438 -7.5608 -7.5603 -7.5514 -7.5511 -7.5286 -7.5265 -2.4688 -2.4686 -2.4651 -2.4630 -2.1510 -2.1490 -2.1150 -2.1149 -2.1091 -2.1088 -0.1281 -0.1266 1.2683 1.2683 1.5104 1.5180 1.5901 1.6013 2.1489 2.1697 2.2081 2.2093 2.2416 2.2745 2.5883 2.6221 2.8026 2.8088 2.8334 2.8499 2.8689 2.8713 2.9385 2.9550 6.6977 6.7016 7.0075 7.0199 7.2517 7.2518 7.3160 7.3177 7.7231 7.7260 7.9645 7.9708 8.0386 8.0434 k = 0.4429 0.4429-0.0000 ( 9192 PWs) bands (ev): -36.4604 -36.4604 -36.4601 -36.4601 -36.4600 -36.4600 -17.7546 -17.7518 -17.7511 -17.7489 -17.7434 -17.7417 -17.3975 -17.3972 -17.3923 -17.3915 -17.3867 -17.3845 -17.3496 -17.3487 -17.3448 -17.3440 -17.3327 -17.3321 -7.7483 -7.7473 -7.5636 -7.5631 -7.5503 -7.5498 -7.5236 -7.5212 -2.4689 -2.4686 -2.4654 -2.4627 -2.1513 -2.1487 -2.1151 -2.1150 -2.1091 -2.1087 -0.1282 -0.1262 1.2775 1.2776 1.5115 1.5218 1.5912 1.6063 2.1328 2.1565 2.2015 2.2141 2.2480 2.2844 2.5903 2.6355 2.7939 2.8039 2.8275 2.8447 2.8615 2.8659 2.9431 2.9617 6.6799 6.6842 7.0075 7.0219 7.2235 7.2237 7.3265 7.3280 7.7161 7.7194 7.9420 7.9532 8.0489 8.0501 k = 0.4286 0.4286-0.0000 ( 9182 PWs) bands (ev): -36.4604 -36.4604 -36.4601 -36.4601 -36.4600 -36.4599 -17.7551 -17.7518 -17.7513 -17.7482 -17.7436 -17.7415 -17.3979 -17.3978 -17.3919 -17.3912 -17.3867 -17.3841 -17.3496 -17.3485 -17.3448 -17.3438 -17.3329 -17.3322 -7.7530 -7.7518 -7.5657 -7.5653 -7.5488 -7.5481 -7.5185 -7.5159 -2.4690 -2.4686 -2.4657 -2.4624 -2.1516 -2.1484 -2.1152 -2.1151 -2.1092 -2.1086 -0.1283 -0.1258 1.2892 1.2895 1.5130 1.5262 1.5931 1.6121 2.1156 2.1430 2.1951 2.2186 2.2543 2.2936 2.5930 2.6501 2.7828 2.7965 2.8222 2.8386 2.8534 2.8605 2.9486 2.9682 6.6540 6.6579 7.0171 7.0321 7.1894 7.1897 7.3314 7.3325 7.7103 7.7139 7.9140 7.9329 7.9949 8.0075 k = 0.4143 0.4143-0.0000 ( 9194 PWs) bands (ev): -36.4605 -36.4605 -36.4601 -36.4601 -36.4599 -36.4599 -17.7555 -17.7518 -17.7515 -17.7476 -17.7438 -17.7412 -17.3984 -17.3984 -17.3915 -17.3910 -17.3867 -17.3838 -17.3497 -17.3484 -17.3448 -17.3436 -17.3331 -17.3323 -7.7587 -7.7573 -7.5670 -7.5668 -7.5470 -7.5461 -7.5134 -7.5106 -2.4691 -2.4686 -2.4659 -2.4622 -2.1519 -2.1481 -2.1154 -2.1152 -2.1093 -2.1086 -0.1285 -0.1257 1.3034 1.3040 1.5146 1.5309 1.5957 1.6187 2.0981 2.1299 2.1888 2.2225 2.2603 2.3022 2.5955 2.6651 2.7698 2.7865 2.8174 2.8323 2.8455 2.8557 2.9545 2.9744 6.6203 6.6233 7.0361 7.0509 7.1505 7.1511 7.3283 7.3288 7.7063 7.7100 7.8752 7.8985 7.9588 7.9755 k = 0.4000 0.4000-0.0000 ( 9198 PWs) bands (ev): -36.4606 -36.4606 -36.4601 -36.4601 -36.4599 -36.4599 -17.7559 -17.7519 -17.7518 -17.7469 -17.7440 -17.7410 -17.3990 -17.3989 -17.3910 -17.3907 -17.3867 -17.3835 -17.3497 -17.3482 -17.3448 -17.3434 -17.3333 -17.3325 -7.7653 -7.7639 -7.5676 -7.5674 -7.5449 -7.5439 -7.5085 -7.5055 -2.4692 -2.4686 -2.4662 -2.4619 -2.1521 -2.1478 -2.1157 -2.1153 -2.1094 -2.1086 -0.1289 -0.1258 1.3199 1.3210 1.5164 1.5359 1.5988 1.6261 2.0809 2.1176 2.1824 2.2259 2.2663 2.3103 2.5970 2.6797 2.7559 2.7744 2.8131 2.8262 2.8384 2.8517 2.9604 2.9802 6.5802 6.5822 7.0621 7.0763 7.1082 7.1093 7.3157 7.3158 7.7042 7.7080 7.8263 7.8469 7.9467 7.9599 k = 0.3857 0.3857-0.0000 ( 9194 PWs) bands (ev): -36.4606 -36.4606 -36.4601 -36.4601 -36.4598 -36.4598 -17.7562 -17.7520 -17.7519 -17.7462 -17.7443 -17.7407 -17.3997 -17.3995 -17.3905 -17.3904 -17.3865 -17.3831 -17.3497 -17.3481 -17.3447 -17.3431 -17.3335 -17.3326 -7.7728 -7.7713 -7.5673 -7.5671 -7.5425 -7.5413 -7.5038 -7.5007 -2.4694 -2.4686 -2.4663 -2.4617 -2.1523 -2.1476 -2.1159 -2.1155 -2.1095 -2.1086 -0.1297 -0.1264 1.3388 1.3403 1.5182 1.5408 1.6023 1.6342 2.0643 2.1067 2.1757 2.2286 2.2723 2.3180 2.5967 2.6922 2.7416 2.7620 2.8098 2.8198 2.8328 2.8488 2.9662 2.9856 6.5352 6.5361 7.0627 7.0634 7.0947 7.1054 7.2936 7.2940 7.7041 7.7079 7.7747 7.7931 7.9457 7.9554 k = 0.3714 0.3714-0.0000 ( 9188 PWs) bands (ev): -36.4607 -36.4607 -36.4601 -36.4600 -36.4598 -36.4598 -17.7566 -17.7523 -17.7520 -17.7455 -17.7445 -17.7404 -17.4003 -17.4001 -17.3902 -17.3900 -17.3864 -17.3828 -17.3497 -17.3479 -17.3447 -17.3429 -17.3338 -17.3328 -7.7811 -7.7796 -7.5662 -7.5659 -7.5398 -7.5385 -7.4994 -7.4961 -2.4695 -2.4686 -2.4665 -2.4615 -2.1524 -2.1474 -2.1161 -2.1156 -2.1097 -2.1086 -0.1309 -0.1274 1.3597 1.3620 1.5200 1.5457 1.6058 1.6428 2.0487 2.0976 2.1687 2.2305 2.2786 2.3254 2.5943 2.6997 2.7276 2.7528 2.8077 2.8133 2.8288 2.8468 2.9718 2.9906 6.4864 6.4865 7.0172 7.0176 7.1237 7.1330 7.2634 7.2642 7.7058 7.7094 7.7280 7.7453 7.9500 7.9572 k = 0.3571 0.3571-0.0000 ( 9192 PWs) bands (ev): -36.4607 -36.4607 -36.4600 -36.4600 -36.4598 -36.4598 -17.7569 -17.7525 -17.7521 -17.7450 -17.7447 -17.7401 -17.4010 -17.4007 -17.3900 -17.3895 -17.3861 -17.3825 -17.3496 -17.3477 -17.3447 -17.3426 -17.3340 -17.3331 -7.7901 -7.7886 -7.5643 -7.5640 -7.5369 -7.5355 -7.4952 -7.4918 -2.4696 -2.4685 -2.4666 -2.4614 -2.1524 -2.1472 -2.1163 -2.1157 -2.1099 -2.1086 -0.1327 -0.1291 1.3826 1.3857 1.5217 1.5502 1.6091 1.6518 2.0345 2.0905 2.1612 2.2313 2.2854 2.3325 2.5897 2.6975 2.7147 2.7514 2.8068 2.8076 2.8259 2.8458 2.9771 2.9951 6.4339 6.4348 6.9705 6.9710 7.1463 7.1529 7.2273 7.2286 7.6914 7.7084 7.7108 7.7139 7.9568 7.9622 k = 0.3429 0.3429-0.0000 ( 9196 PWs) bands (ev): -36.4608 -36.4608 -36.4600 -36.4600 -36.4597 -36.4597 -17.7571 -17.7528 -17.7523 -17.7452 -17.7440 -17.7398 -17.4017 -17.4013 -17.3897 -17.3890 -17.3859 -17.3822 -17.3495 -17.3475 -17.3446 -17.3423 -17.3342 -17.3334 -7.7996 -7.7983 -7.5617 -7.5613 -7.5337 -7.5322 -7.4914 -7.4878 -2.4698 -2.4685 -2.4667 -2.4612 -2.1524 -2.1470 -2.1166 -2.1159 -2.1101 -2.1086 -0.1351 -0.1315 1.4071 1.4110 1.5235 1.5544 1.6120 1.6609 2.0217 2.0855 2.1531 2.2309 2.2930 2.3395 2.5834 2.6870 2.7035 2.7566 2.8035 2.8070 2.8240 2.8456 2.9821 2.9994 6.3791 6.3807 6.9238 6.9245 7.1513 7.1547 7.1903 7.1923 7.6742 7.6931 7.7145 7.7188 7.9638 7.9679 k = 0.3286 0.3286-0.0000 ( 9198 PWs) bands (ev): -36.4609 -36.4609 -36.4600 -36.4600 -36.4597 -36.4597 -17.7574 -17.7531 -17.7524 -17.7455 -17.7433 -17.7394 -17.4025 -17.4020 -17.3894 -17.3885 -17.3857 -17.3820 -17.3494 -17.3473 -17.3446 -17.3420 -17.3345 -17.3337 -7.8097 -7.8085 -7.5585 -7.5580 -7.5303 -7.5287 -7.4878 -7.4842 -2.4699 -2.4684 -2.4668 -2.4612 -2.1523 -2.1469 -2.1168 -2.1159 -2.1104 -2.1087 -0.1382 -0.1346 1.4329 1.4373 1.5259 1.5581 1.6144 1.6701 2.0105 2.0826 2.1447 2.2293 2.3016 2.3464 2.5761 2.6733 2.6944 2.7628 2.8019 2.8078 2.8229 2.8463 2.9868 3.0032 6.3223 6.3245 6.8777 6.8785 7.1239 7.1257 7.1632 7.1649 7.6801 7.6990 7.7212 7.7255 7.9689 7.9720 k = 0.3143 0.3143-0.0000 ( 9186 PWs) bands (ev): -36.4609 -36.4609 -36.4599 -36.4599 -36.4597 -36.4597 -17.7576 -17.7534 -17.7526 -17.7459 -17.7425 -17.7391 -17.4032 -17.4027 -17.3891 -17.3879 -17.3855 -17.3817 -17.3492 -17.3471 -17.3446 -17.3418 -17.3347 -17.3340 -7.8202 -7.8190 -7.5546 -7.5541 -7.5268 -7.5251 -7.4845 -7.4809 -2.4699 -2.4683 -2.4669 -2.4611 -2.1522 -2.1467 -2.1170 -2.1160 -2.1107 -2.1088 -0.1421 -0.1386 1.4596 1.4633 1.5298 1.5611 1.6161 1.6793 2.0008 2.0816 2.1359 2.2263 2.3115 2.3535 2.5688 2.6593 2.6878 2.7670 2.8033 2.8089 2.8229 2.8479 2.9912 3.0068 6.2635 6.2662 6.8327 6.8336 7.0781 7.0799 7.1337 7.1339 7.7076 7.7243 7.7302 7.7337 7.9685 7.9706 k = 0.3000 0.3000-0.0000 ( 9178 PWs) bands (ev): -36.4610 -36.4610 -36.4599 -36.4599 -36.4596 -36.4596 -17.7578 -17.7536 -17.7527 -17.7463 -17.7418 -17.7387 -17.4039 -17.4034 -17.3888 -17.3874 -17.3852 -17.3815 -17.3490 -17.3468 -17.3445 -17.3415 -17.3349 -17.3343 -7.8309 -7.8298 -7.5503 -7.5497 -7.5230 -7.5213 -7.4816 -7.4779 -2.4699 -2.4682 -2.4669 -2.4610 -2.1520 -2.1466 -2.1172 -2.1160 -2.1110 -2.1089 -0.1468 -0.1435 1.4853 1.4864 1.5380 1.5634 1.6175 1.6886 1.9926 2.0819 2.1270 2.2219 2.3230 2.3609 2.5626 2.6464 2.6836 2.7689 2.8066 2.8100 2.8245 2.8501 2.9953 3.0100 6.2029 6.2059 6.7892 6.7901 7.0276 7.0296 7.0925 7.0932 7.7382 7.7430 7.7478 7.7622 7.9551 7.9564 k = 0.2857 0.2857-0.0000 ( 9180 PWs) bands (ev): -36.4611 -36.4610 -36.4599 -36.4599 -36.4596 -36.4596 -17.7580 -17.7539 -17.7529 -17.7467 -17.7411 -17.7383 -17.4046 -17.4041 -17.3884 -17.3869 -17.3850 -17.3813 -17.3488 -17.3466 -17.3445 -17.3412 -17.3351 -17.3346 -7.8418 -7.8409 -7.5455 -7.5448 -7.5192 -7.5174 -7.4790 -7.4753 -2.4699 -2.4680 -2.4669 -2.4610 -2.1517 -2.1464 -2.1174 -2.1160 -2.1113 -2.1091 -0.1524 -0.1492 1.4988 1.5125 1.5538 1.5650 1.6197 1.6983 1.9857 2.0832 2.1181 2.2163 2.3364 2.3692 2.5584 2.6353 2.6819 2.7697 2.8098 2.8109 2.8282 2.8528 2.9992 3.0129 6.1402 6.1435 6.7476 6.7485 6.9756 6.9777 7.0441 7.0451 7.7486 7.7536 7.7776 7.7838 7.9361 7.9383 k = 0.2714 0.2714-0.0000 ( 9174 PWs) bands (ev): -36.4611 -36.4611 -36.4598 -36.4598 -36.4596 -36.4596 -17.7581 -17.7542 -17.7531 -17.7471 -17.7404 -17.7380 -17.4053 -17.4048 -17.3881 -17.3864 -17.3847 -17.3811 -17.3485 -17.3464 -17.3445 -17.3409 -17.3353 -17.3349 -7.8528 -7.8519 -7.5404 -7.5396 -7.5153 -7.5135 -7.4766 -7.4729 -2.4698 -2.4679 -2.4669 -2.4610 -2.1513 -2.1463 -2.1175 -2.1160 -2.1117 -2.1093 -0.1588 -0.1559 1.5044 1.5366 1.5659 1.5727 1.6263 1.7092 1.9800 2.0847 2.1097 2.2094 2.3519 2.3788 2.5567 2.6263 2.6826 2.7704 2.8118 2.8120 2.8337 2.8557 3.0026 3.0154 6.0755 6.0790 6.7081 6.7090 6.9234 6.9254 6.9921 6.9933 7.7550 7.7582 7.7625 7.7663 7.9514 7.9527 k = 0.2571 0.2571-0.0000 ( 9178 PWs) bands (ev): -36.4612 -36.4612 -36.4598 -36.4598 -36.4596 -36.4596 -17.7582 -17.7545 -17.7532 -17.7475 -17.7397 -17.7376 -17.4059 -17.4055 -17.3877 -17.3859 -17.3845 -17.3810 -17.3483 -17.3461 -17.3445 -17.3407 -17.3355 -17.3353 -7.8637 -7.8630 -7.5350 -7.5342 -7.5113 -7.5095 -7.4745 -7.4709 -2.4697 -2.4677 -2.4669 -2.4611 -2.1509 -2.1461 -2.1177 -2.1160 -2.1121 -2.1095 -0.1660 -0.1633 1.5059 1.5563 1.5668 1.5838 1.6439 1.7222 1.9755 2.0860 2.1019 2.2015 2.3697 2.3904 2.5579 2.6196 2.6853 2.7716 2.8128 2.8139 2.8398 2.8586 3.0058 3.0176 6.0087 6.0122 6.6709 6.6718 6.8718 6.8737 6.9390 6.9402 7.6981 7.7021 7.7729 7.7779 7.9710 7.9785 k = 0.2429 0.2429-0.0000 ( 9182 PWs) bands (ev): -36.4612 -36.4612 -36.4598 -36.4597 -36.4595 -36.4595 -17.7583 -17.7548 -17.7534 -17.7480 -17.7391 -17.7373 -17.4066 -17.4062 -17.3873 -17.3854 -17.3843 -17.3809 -17.3480 -17.3459 -17.3445 -17.3405 -17.3356 -17.3356 -7.8746 -7.8739 -7.5294 -7.5286 -7.5073 -7.5055 -7.4727 -7.4691 -2.4696 -2.4675 -2.4669 -2.4612 -2.1504 -2.1460 -2.1178 -2.1160 -2.1124 -2.1097 -0.1739 -0.1715 1.5056 1.5625 1.5755 1.5853 1.6720 1.7383 1.9720 2.0867 2.0951 2.1927 2.3898 2.4046 2.5620 2.6155 2.6898 2.7734 2.8138 2.8159 2.8459 2.8616 3.0085 3.0194 5.9400 5.9435 6.6363 6.6370 6.8217 6.8233 6.8865 6.8876 7.6286 7.6326 7.7857 7.7909 7.9750 7.9844 k = 0.2286 0.2286-0.0000 ( 9196 PWs) bands (ev): -36.4613 -36.4613 -36.4597 -36.4597 -36.4595 -36.4595 -17.7584 -17.7550 -17.7536 -17.7485 -17.7385 -17.7370 -17.4073 -17.4069 -17.3869 -17.3850 -17.3841 -17.3808 -17.3477 -17.3456 -17.3445 -17.3403 -17.3359 -17.3358 -7.8852 -7.8847 -7.5237 -7.5228 -7.5033 -7.5015 -7.4712 -7.4677 -2.4694 -2.4673 -2.4669 -2.4613 -2.1499 -2.1458 -2.1179 -2.1160 -2.1129 -2.1100 -0.1825 -0.1804 1.5042 1.5609 1.5818 1.5854 1.7046 1.7578 1.9697 2.0867 2.0895 2.1832 2.4121 2.4216 2.5687 2.6137 2.6960 2.7760 2.8151 2.8181 2.8517 2.8644 3.0108 3.0208 5.8694 5.8728 6.6043 6.6050 6.7736 6.7750 6.8355 6.8364 7.5556 7.5592 7.7990 7.8044 7.9730 7.9822 k = 0.2143 0.2143-0.0000 ( 9204 PWs) bands (ev): -36.4614 -36.4613 -36.4597 -36.4597 -36.4595 -36.4595 -17.7584 -17.7553 -17.7538 -17.7490 -17.7379 -17.7366 -17.4079 -17.4076 -17.3865 -17.3846 -17.3839 -17.3807 -17.3473 -17.3454 -17.3445 -17.3402 -17.3362 -17.3359 -7.8956 -7.8952 -7.5180 -7.5170 -7.4993 -7.4975 -7.4698 -7.4664 -2.4692 -2.4670 -2.4668 -2.4614 -2.1493 -2.1456 -2.1180 -2.1159 -2.1133 -2.1103 -0.1916 -0.1898 1.5021 1.5577 1.5759 1.5901 1.7388 1.7804 1.9686 2.0854 2.0861 2.1733 2.4365 2.4416 2.5776 2.6142 2.7037 2.7791 2.8166 2.8209 2.8573 2.8673 3.0126 3.0217 5.7973 5.8005 6.5750 6.5756 6.7282 6.7292 6.7865 6.7871 7.4819 7.4850 7.8126 7.8181 7.9686 7.9776 k = 0.2000 0.2000-0.0000 ( 9200 PWs) bands (ev): -36.4614 -36.4614 -36.4597 -36.4596 -36.4595 -36.4595 -17.7584 -17.7555 -17.7540 -17.7495 -17.7373 -17.7363 -17.4086 -17.4083 -17.3861 -17.3842 -17.3837 -17.3807 -17.3470 -17.3451 -17.3444 -17.3401 -17.3364 -17.3360 -7.9057 -7.9053 -7.5122 -7.5113 -7.4954 -7.4937 -7.4687 -7.4654 -2.4689 -2.4668 -2.4667 -2.4615 -2.1487 -2.1454 -2.1181 -2.1158 -2.1136 -2.1106 -0.2011 -0.1996 1.4995 1.5536 1.5685 1.5899 1.7732 1.8051 1.9686 2.0829 2.0851 2.1633 2.4626 2.4642 2.5882 2.6168 2.7125 2.7830 2.8185 2.8240 2.8627 2.8703 3.0139 3.0222 5.7241 5.7270 6.5486 6.5491 6.6858 6.6865 6.7399 6.7401 7.4088 7.4114 7.8261 7.8317 7.9631 7.9719 k = 0.1857 0.1857-0.0000 ( 9187 PWs) bands (ev): -36.4614 -36.4614 -36.4596 -36.4596 -36.4595 -36.4595 -17.7584 -17.7557 -17.7542 -17.7500 -17.7367 -17.7359 -17.4091 -17.4089 -17.3857 -17.3838 -17.3835 -17.3806 -17.3466 -17.3448 -17.3444 -17.3401 -17.3366 -17.3361 -7.9154 -7.9151 -7.5066 -7.5056 -7.4916 -7.4899 -7.4677 -7.4646 -2.4686 -2.4666 -2.4665 -2.4617 -2.1481 -2.1452 -2.1181 -2.1157 -2.1140 -2.1110 -0.2110 -0.2097 1.4965 1.5485 1.5601 1.5859 1.8069 1.8307 1.9699 2.0820 2.0838 2.1536 2.4888 2.4900 2.6000 2.6211 2.7224 2.7875 2.8208 2.8275 2.8683 2.8737 3.0148 3.0222 5.6503 5.6529 6.5250 6.5254 6.6467 6.6470 6.6958 6.6959 7.3372 7.3394 7.8394 7.8451 7.9571 7.9658 k = 0.1714 0.1714-0.0000 ( 9191 PWs) bands (ev): -36.4615 -36.4615 -36.4596 -36.4596 -36.4595 -36.4594 -17.7584 -17.7559 -17.7544 -17.7506 -17.7362 -17.7356 -17.4097 -17.4095 -17.3853 -17.3835 -17.3834 -17.3806 -17.3463 -17.3446 -17.3444 -17.3402 -17.3367 -17.3362 -7.9246 -7.9243 -7.5010 -7.5001 -7.4879 -7.4863 -7.4669 -7.4639 -2.4683 -2.4665 -2.4663 -2.4618 -2.1474 -2.1450 -2.1181 -2.1157 -2.1144 -2.1113 -0.2209 -0.2199 1.4933 1.5427 1.5509 1.5790 1.8394 1.8561 1.9722 2.0824 2.0830 2.1446 2.5147 2.5180 2.6125 2.6270 2.7332 2.7927 2.8235 2.8313 2.8742 2.8778 3.0151 3.0218 5.5765 5.5788 6.5042 6.5045 6.6108 6.6109 6.6544 6.6548 7.2680 7.2698 7.8520 7.8579 7.9510 7.9594 k = 0.1571 0.1571-0.0000 ( 9193 PWs) bands (ev): -36.4615 -36.4615 -36.4595 -36.4595 -36.4594 -36.4594 -17.7583 -17.7560 -17.7545 -17.7511 -17.7358 -17.7353 -17.4102 -17.4100 -17.3849 -17.3832 -17.3832 -17.3806 -17.3459 -17.3444 -17.3444 -17.3403 -17.3367 -17.3362 -7.9332 -7.9330 -7.4957 -7.4948 -7.4844 -7.4829 -7.4662 -7.4635 -2.4680 -2.4664 -2.4660 -2.4620 -2.1468 -2.1447 -2.1181 -2.1156 -2.1147 -2.1117 -0.2308 -0.2300 1.4899 1.5362 1.5413 1.5701 1.8702 1.8807 1.9753 2.0808 2.0856 2.1366 2.5412 2.5460 2.6253 2.6339 2.7447 2.7987 2.8266 2.8353 2.8809 2.8830 3.0149 3.0209 5.5034 5.5054 6.4861 6.4863 6.5780 6.5785 6.6159 6.6166 7.2018 7.2032 7.8639 7.8698 7.9450 7.9532 k = 0.1429 0.1429-0.0000 ( 9181 PWs) bands (ev): -36.4616 -36.4616 -36.4595 -36.4595 -36.4594 -36.4594 -17.7582 -17.7561 -17.7547 -17.7516 -17.7354 -17.7350 -17.4107 -17.4106 -17.3845 -17.3830 -17.3829 -17.3806 -17.3456 -17.3443 -17.3442 -17.3405 -17.3367 -17.3362 -7.9413 -7.9412 -7.4906 -7.4898 -7.4810 -7.4797 -7.4657 -7.4631 -2.4676 -2.4663 -2.4658 -2.4622 -2.1461 -2.1445 -2.1180 -2.1156 -2.1150 -2.1121 -0.2406 -0.2399 1.4865 1.5293 1.5316 1.5597 1.8989 1.9038 1.9791 2.0788 2.0897 2.1301 2.5671 2.5730 2.6378 2.6417 2.7569 2.8053 2.8299 2.8392 2.8887 2.8897 3.0143 3.0196 5.4318 5.4334 6.4706 6.4707 6.5486 6.5493 6.5807 6.5816 7.1390 7.1401 7.8746 7.8805 7.9394 7.9472 k = 0.1286 0.1286-0.0000 ( 9175 PWs) bands (ev): -36.4616 -36.4616 -36.4595 -36.4595 -36.4594 -36.4594 -17.7581 -17.7562 -17.7548 -17.7521 -17.7350 -17.7347 -17.4111 -17.4110 -17.3841 -17.3829 -17.3826 -17.3807 -17.3453 -17.3443 -17.3440 -17.3408 -17.3366 -17.3362 -7.9488 -7.9487 -7.4859 -7.4851 -7.4779 -7.4767 -7.4653 -7.4629 -2.4673 -2.4661 -2.4655 -2.4624 -2.1455 -2.1442 -2.1179 -2.1155 -2.1153 -2.1125 -0.2499 -0.2495 1.4831 1.5220 1.5221 1.5487 1.9252 1.9252 1.9833 2.0760 2.0951 2.1256 2.5916 2.5981 2.6497 2.6500 2.7696 2.8126 2.8335 2.8430 2.8981 2.8984 3.0133 3.0180 5.3625 5.3638 6.4575 6.4576 6.5224 6.5234 6.5487 6.5499 7.0803 7.0811 7.8842 7.8900 7.9342 7.9416 k = 0.1143 0.1143-0.0000 ( 9167 PWs) bands (ev): -36.4617 -36.4617 -36.4595 -36.4595 -36.4594 -36.4594 -17.7580 -17.7563 -17.7550 -17.7526 -17.7347 -17.7345 -17.4115 -17.4115 -17.3837 -17.3827 -17.3824 -17.3807 -17.3449 -17.3442 -17.3438 -17.3410 -17.3365 -17.3362 -7.9556 -7.9555 -7.4815 -7.4808 -7.4751 -7.4739 -7.4649 -7.4627 -2.4669 -2.4659 -2.4653 -2.4626 -2.1449 -2.1439 -2.1177 -2.1155 -2.1155 -2.1129 -0.2588 -0.2585 1.4800 1.5128 1.5149 1.5374 1.9448 1.9487 1.9878 2.0722 2.1012 2.1232 2.6137 2.6204 2.6584 2.6606 2.7825 2.8203 2.8370 2.8465 2.9093 2.9093 3.0119 3.0161 5.2965 5.2975 6.4467 6.4467 6.4993 6.5005 6.5201 6.5216 7.0261 7.0267 7.8922 7.8979 7.9296 7.9365 k = 0.1000 0.1000-0.0000 ( 9177 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7579 -17.7563 -17.7552 -17.7531 -17.7344 -17.7342 -17.4119 -17.4119 -17.3834 -17.3825 -17.3822 -17.3808 -17.3446 -17.3441 -17.3436 -17.3413 -17.3365 -17.3363 -7.9617 -7.9617 -7.4775 -7.4769 -7.4725 -7.4715 -7.4646 -7.4627 -2.4666 -2.4658 -2.4651 -2.4629 -2.1443 -2.1437 -2.1176 -2.1158 -2.1155 -2.1133 -0.2670 -0.2668 1.4772 1.5042 1.5078 1.5264 1.9623 1.9694 1.9925 2.0675 2.1078 2.1228 2.6329 2.6392 2.6667 2.6702 2.7954 2.8283 2.8405 2.8496 2.9225 2.9225 3.0104 3.0141 5.2346 5.2354 6.4379 6.4380 6.4791 6.4805 6.4951 6.4967 6.9769 6.9773 7.8988 7.9042 7.9257 7.9319 k = 0.0857 0.0857-0.0000 ( 9161 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7577 -17.7564 -17.7553 -17.7536 -17.7340 -17.7340 -17.4123 -17.4122 -17.3831 -17.3824 -17.3820 -17.3809 -17.3443 -17.3440 -17.3434 -17.3416 -17.3364 -17.3363 -7.9671 -7.9670 -7.4739 -7.4734 -7.4701 -7.4693 -7.4643 -7.4627 -2.4663 -2.4656 -2.4649 -2.4631 -2.1438 -2.1434 -2.1174 -2.1159 -2.1154 -2.1137 -0.2744 -0.2743 1.4748 1.4964 1.5010 1.5159 1.9779 1.9869 1.9974 2.0622 2.1144 2.1239 2.6489 2.6543 2.6746 2.6783 2.8080 2.8361 2.8438 2.8523 2.9374 2.9375 3.0087 3.0119 5.1780 5.1785 6.4309 6.4310 6.4618 6.4633 6.4737 6.4753 6.9331 6.9334 7.9040 7.9090 7.9223 7.9279 k = 0.0714 0.0714-0.0000 ( 9155 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7575 -17.7564 -17.7555 -17.7541 -17.7338 -17.7338 -17.4125 -17.4125 -17.3829 -17.3822 -17.3819 -17.3810 -17.3441 -17.3438 -17.3433 -17.3419 -17.3363 -17.3363 -7.9716 -7.9716 -7.4708 -7.4704 -7.4681 -7.4675 -7.4641 -7.4627 -2.4659 -2.4654 -2.4648 -2.4633 -2.1434 -2.1431 -2.1172 -2.1160 -2.1155 -2.1141 -0.2810 -0.2809 1.4729 1.4896 1.4946 1.5063 1.9914 2.0013 2.0024 2.0565 2.1206 2.1262 2.6618 2.6658 2.6816 2.6848 2.8198 2.8432 2.8468 2.8546 2.9530 2.9534 3.0070 3.0098 5.1276 5.1279 6.4255 6.4257 6.4473 6.4487 6.4559 6.4575 6.8952 6.8954 7.9078 7.9123 7.9197 7.9244 k = 0.0571 0.0571-0.0000 ( 9149 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7573 -17.7564 -17.7556 -17.7545 -17.7336 -17.7336 -17.4128 -17.4128 -17.3826 -17.3821 -17.3818 -17.3812 -17.3439 -17.3436 -17.3432 -17.3422 -17.3363 -17.3363 -7.9754 -7.9754 -7.4682 -7.4680 -7.4664 -7.4660 -7.4639 -7.4628 -2.4657 -2.4652 -2.4646 -2.4636 -2.1431 -2.1429 -2.1169 -2.1160 -2.1155 -2.1144 -0.2864 -0.2864 1.4718 1.4841 1.4889 1.4977 2.0026 2.0076 2.0125 2.0507 2.1261 2.1289 2.6719 2.6745 2.6873 2.6895 2.8306 2.8491 2.8496 2.8563 2.9685 2.9689 3.0055 3.0078 5.0845 5.0847 6.4214 6.4215 6.4354 6.4365 6.4420 6.4432 6.8636 6.8637 7.9105 7.9142 7.9176 7.9215 k = 0.0429 0.0429-0.0000 ( 9131 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7570 -17.7563 -17.7557 -17.7549 -17.7335 -17.7335 -17.4129 -17.4129 -17.3823 -17.3820 -17.3817 -17.3813 -17.3437 -17.3435 -17.3431 -17.3424 -17.3362 -17.3362 -7.9784 -7.9784 -7.4662 -7.4661 -7.4651 -7.4648 -7.4637 -7.4629 -2.4654 -2.4650 -2.4645 -2.4638 -2.1428 -2.1427 -2.1167 -2.1160 -2.1156 -2.1148 -0.2908 -0.2908 1.4714 1.4799 1.4840 1.4904 2.0110 2.0138 2.0206 2.0448 2.1305 2.1317 2.6797 2.6812 2.6912 2.6925 2.8399 2.8521 2.8535 2.8576 2.9823 2.9828 3.0042 3.0060 5.0498 5.0498 6.4182 6.4184 6.4260 6.4266 6.4320 6.4326 6.8386 6.8387 7.9123 7.9152 7.9162 7.9192 k = 0.0286 0.0286-0.0000 ( 9123 PWs) bands (ev): -36.4618 -36.4618 -36.4594 -36.4594 -36.4593 -36.4593 -17.7567 -17.7562 -17.7558 -17.7553 -17.7334 -17.7334 -17.4130 -17.4130 -17.3821 -17.3819 -17.3817 -17.3814 -17.3436 -17.3433 -17.3431 -17.3427 -17.3362 -17.3362 -7.9805 -7.9805 -7.4648 -7.4647 -7.4642 -7.4640 -7.4633 -7.4630 -2.4651 -2.4648 -2.4645 -2.4641 -2.1426 -2.1426 -2.1164 -2.1160 -2.1156 -2.1151 -0.2940 -0.2940 1.4719 1.4771 1.4801 1.4843 2.0169 2.0203 2.0257 2.0391 2.1338 2.1341 2.6856 2.6862 2.6935 2.6940 2.8475 2.8541 2.8561 2.8583 2.9933 2.9936 3.0033 3.0045 5.0242 5.0242 6.4158 6.4160 6.4192 6.4194 6.4254 6.4256 6.8205 6.8205 7.9135 7.9153 7.9155 7.9173 k = 0.0143 0.0143-0.0000 ( 9123 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7564 -17.7561 -17.7560 -17.7557 -17.7334 -17.7334 -17.4131 -17.4131 -17.3819 -17.3818 -17.3817 -17.3816 -17.3434 -17.3432 -17.3431 -17.3429 -17.3362 -17.3362 -7.9818 -7.9818 -7.4640 -7.4639 -7.4638 -7.4637 -7.4629 -7.4629 -2.4648 -2.4647 -2.4645 -2.4643 -2.1425 -2.1425 -2.1161 -2.1159 -2.1157 -2.1155 -0.2959 -0.2959 1.4733 1.4757 1.4773 1.4795 2.0224 2.0252 2.0281 2.0334 2.1357 2.1357 2.6896 2.6898 2.6941 2.6942 2.8531 2.8557 2.8569 2.8583 3.0003 3.0006 3.0028 3.0034 5.0085 5.0085 6.4141 6.4142 6.4149 6.4149 6.4219 6.4219 6.8096 6.8096 7.9143 7.9150 7.9153 7.9160 k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7560 -17.7560 -17.7560 -17.7560 -17.7333 -17.7333 -17.4131 -17.4131 -17.3817 -17.3817 -17.3817 -17.3817 -17.3431 -17.3431 -17.3431 -17.3431 -17.3361 -17.3361 -7.9822 -7.9822 -7.4637 -7.4637 -7.4637 -7.4637 -7.4628 -7.4628 -2.4645 -2.4645 -2.4645 -2.4645 -2.1424 -2.1424 -2.1158 -2.1158 -2.1158 -2.1158 -0.2965 -0.2965 1.4758 1.4758 1.4758 1.4758 2.0279 2.0279 2.0279 2.0279 2.1363 2.1363 2.6914 2.6914 2.6939 2.6939 2.8567 2.8567 2.8567 2.8567 3.0029 3.0029 3.0029 3.0029 5.0033 5.0033 6.4135 6.4135 6.4135 6.4135 6.4209 6.4209 6.8059 6.8059 7.9151 7.9151 7.9151 7.9151 k = 0.0000 0.0000 0.0000 ( 9093 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7560 -17.7560 -17.7560 -17.7560 -17.7333 -17.7333 -17.4131 -17.4131 -17.3817 -17.3817 -17.3817 -17.3817 -17.3431 -17.3431 -17.3431 -17.3431 -17.3361 -17.3361 -7.9822 -7.9822 -7.4637 -7.4637 -7.4637 -7.4637 -7.4628 -7.4628 -2.4645 -2.4645 -2.4645 -2.4645 -2.1424 -2.1424 -2.1158 -2.1158 -2.1158 -2.1158 -0.2965 -0.2965 1.4758 1.4758 1.4758 1.4758 2.0279 2.0279 2.0279 2.0279 2.1363 2.1363 2.6914 2.6914 2.6939 2.6939 2.8567 2.8567 2.8567 2.8567 3.0029 3.0029 3.0029 3.0029 5.0033 5.0033 6.4135 6.4135 6.4135 6.4135 6.4209 6.4209 6.8059 6.8059 7.9151 7.9151 7.9151 7.9151 k = 0.0116 0.0116 0.0116 ( 9126 PWs) bands (ev): -36.4618 -36.4618 -36.4593 -36.4593 -36.4593 -36.4593 -17.7564 -17.7561 -17.7561 -17.7557 -17.7334 -17.7334 -17.4131 -17.4131 -17.3819 -17.3817 -17.3817 -17.3816 -17.3434 -17.3432 -17.3432 -17.3429 -17.3362 -17.3362 -7.9818 -7.9818 -7.4639 -7.4639 -7.4639 -7.4637 -7.4629 -7.4629 -2.4648 -2.4646 -2.4646 -2.4643 -2.1425 -2.1425 -2.1161 -2.1158 -2.1158 -2.1155 -0.2959 -0.2959 1.4732 1.4765 1.4765 1.4795 2.0223 2.0266 2.0266 2.0337 2.1357 2.1357 2.6897 2.6897 2.6942 2.6942 2.8530 2.8564 2.8564 2.8583 3.0005 3.0005 3.0028 3.0034 5.0085 5.0085 6.4141 6.4142 6.4149 6.4149 6.4219 6.4219 6.8095 6.8095 7.9143 7.9152 7.9152 7.9160 k = 0.0233 0.0233 0.0233 ( 9126 PWs) bands (ev): -36.4618 -36.4618 -36.4594 -36.4594 -36.4594 -36.4594 -17.7567 -17.7560 -17.7560 -17.7553 -17.7334 -17.7334 -17.4131 -17.4131 -17.3821 -17.3818 -17.3818 -17.3814 -17.3436 -17.3432 -17.3432 -17.3427 -17.3362 -17.3362 -7.9805 -7.9805 -7.4645 -7.4645 -7.4644 -7.4639 -7.4633 -7.4633 -2.4651 -2.4646 -2.4646 -2.4640 -2.1426 -2.1426 -2.1164 -2.1158 -2.1158 -2.1151 -0.2940 -0.2940 1.4717 1.4786 1.4786 1.4843 2.0171 2.0226 2.0226 2.0398 2.1340 2.1340 2.6859 2.6859 2.6938 2.6938 2.8473 2.8555 2.8555 2.8578 2.9936 2.9936 3.0031 3.0045 5.0241 5.0241 6.4161 6.4162 6.4186 6.4186 6.4258 6.4258 6.8204 6.8204 7.9138 7.9154 7.9154 7.9170 k = 0.0349 0.0349 0.0349 ( 9138 PWs) bands (ev): -36.4618 -36.4618 -36.4594 -36.4594 -36.4594 -36.4594 -17.7570 -17.7560 -17.7560 -17.7549 -17.7335 -17.7335 -17.4129 -17.4129 -17.3824 -17.3818 -17.3818 -17.3813 -17.3437 -17.3433 -17.3433 -17.3424 -17.3362 -17.3362 -7.9784 -7.9784 -7.4656 -7.4656 -7.4652 -7.4644 -7.4640 -7.4640 -2.4654 -2.4648 -2.4648 -2.4638 -2.1428 -2.1428 -2.1167 -2.1158 -2.1158 -2.1148 -0.2908 -0.2908 1.4713 1.4820 1.4820 1.4901 2.0122 2.0159 2.0159 2.0462 2.1312 2.1312 2.6805 2.6805 2.6920 2.6920 2.8396 2.8541 2.8541 2.8554 2.9828 2.9828 3.0040 3.0059 5.0494 5.0494 6.4195 6.4197 6.4232 6.4232 6.4340 6.4340 6.8384 6.8384 7.9133 7.9158 7.9158 7.9181 k = 0.0465 0.0465 0.0465 ( 9150 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7573 -17.7560 -17.7560 -17.7545 -17.7336 -17.7336 -17.4128 -17.4128 -17.3826 -17.3820 -17.3820 -17.3812 -17.3439 -17.3435 -17.3435 -17.3421 -17.3363 -17.3363 -7.9755 -7.9755 -7.4672 -7.4672 -7.4662 -7.4651 -7.4648 -7.4648 -2.4656 -2.4649 -2.4649 -2.4635 -2.1430 -2.1430 -2.1170 -2.1158 -2.1158 -2.1144 -0.2865 -0.2865 1.4718 1.4867 1.4867 1.4967 2.0064 2.0064 2.0077 2.0529 2.1277 2.1277 2.6733 2.6733 2.6887 2.6887 2.8302 2.8512 2.8523 2.8523 2.9691 2.9691 3.0052 3.0076 5.0839 5.0839 6.4245 6.4248 6.4286 6.4286 6.4466 6.4466 6.8634 6.8634 7.9130 7.9161 7.9161 7.9191 k = 0.0581 0.0581 0.0581 ( 9174 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7575 -17.7560 -17.7560 -17.7540 -17.7338 -17.7338 -17.4125 -17.4125 -17.3828 -17.3821 -17.3821 -17.3811 -17.3440 -17.3437 -17.3437 -17.3418 -17.3363 -17.3363 -7.9717 -7.9717 -7.4691 -7.4691 -7.4674 -7.4660 -7.4659 -7.4659 -2.4659 -2.4651 -2.4651 -2.4633 -2.1433 -2.1433 -2.1172 -2.1158 -2.1158 -2.1141 -0.2811 -0.2811 1.4732 1.4925 1.4925 1.5040 1.9938 1.9938 2.0038 2.0600 2.1238 2.1238 2.6640 2.6640 2.6839 2.6839 2.8191 2.8453 2.8501 2.8501 2.9539 2.9539 3.0067 3.0096 5.1265 5.1265 6.4312 6.4316 6.4354 6.4354 6.4635 6.4635 6.8949 6.8949 7.9126 7.9164 7.9164 7.9200 k = 0.0698 0.0698 0.0698 ( 9174 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7577 -17.7559 -17.7559 -17.7535 -17.7340 -17.7340 -17.4122 -17.4122 -17.3830 -17.3823 -17.3823 -17.3810 -17.3441 -17.3439 -17.3439 -17.3415 -17.3363 -17.3363 -7.9671 -7.9671 -7.4716 -7.4716 -7.4688 -7.4672 -7.4672 -7.4672 -2.4661 -2.4653 -2.4653 -2.4631 -2.1436 -2.1436 -2.1174 -2.1157 -2.1157 -2.1137 -0.2746 -0.2746 1.4752 1.4992 1.4992 1.5118 1.9784 1.9784 2.0005 2.0676 2.1197 2.1197 2.6521 2.6521 2.6776 2.6776 2.8067 2.8381 2.8476 2.8476 2.9384 2.9384 3.0085 3.0118 5.1761 5.1761 6.4397 6.4404 6.4440 6.4440 6.4844 6.4844 6.9327 6.9327 7.9122 7.9165 7.9165 7.9206 k = 0.0814 0.0814 0.0814 ( 9180 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7579 -17.7558 -17.7558 -17.7530 -17.7343 -17.7343 -17.4119 -17.4119 -17.3833 -17.3824 -17.3824 -17.3809 -17.3442 -17.3442 -17.3442 -17.3412 -17.3364 -17.3364 -7.9618 -7.9618 -7.4744 -7.4744 -7.4704 -7.4688 -7.4688 -7.4686 -2.4663 -2.4656 -2.4656 -2.4629 -2.1440 -2.1440 -2.1175 -2.1156 -2.1156 -2.1133 -0.2673 -0.2673 1.4778 1.5066 1.5066 1.5198 1.9599 1.9599 1.9981 2.0757 2.1156 2.1156 2.6371 2.6371 2.6702 2.6702 2.7932 2.8298 2.8451 2.8451 2.9240 2.9240 3.0104 3.0141 5.2317 5.2317 6.4504 6.4512 6.4546 6.4546 6.5094 6.5094 6.9764 6.9764 7.9116 7.9163 7.9163 7.9209 k = 0.0930 0.0930 0.0930 ( 9177 PWs) bands (ev): -36.4617 -36.4617 -36.4594 -36.4594 -36.4594 -36.4594 -17.7580 -17.7557 -17.7557 -17.7525 -17.7346 -17.7346 -17.4115 -17.4115 -17.3835 -17.3826 -17.3826 -17.3808 -17.3445 -17.3445 -17.3442 -17.3408 -17.3364 -17.3364 -7.9557 -7.9557 -7.4776 -7.4776 -7.4722 -7.4705 -7.4705 -7.4702 -2.4665 -2.4658 -2.4658 -2.4626 -2.1444 -2.1444 -2.1176 -2.1155 -2.1155 -2.1129 -0.2593 -0.2593 1.4806 1.5145 1.5145 1.5275 1.9388 1.9388 1.9968 2.0843 2.1118 2.1118 2.6188 2.6188 2.6620 2.6620 2.7788 2.8206 2.8426 2.8426 2.9114 2.9114 3.0125 3.0166 5.2920 5.2920 6.4633 6.4644 6.4674 6.4674 6.5383 6.5383 7.0255 7.0255 7.9108 7.9158 7.9158 7.9208 k = 0.1047 0.1047 0.1047 ( 9192 PWs) bands (ev): -36.4616 -36.4616 -36.4594 -36.4594 -36.4594 -36.4594 -17.7581 -17.7556 -17.7556 -17.7520 -17.7349 -17.7349 -17.4111 -17.4111 -17.3838 -17.3829 -17.3829 -17.3808 -17.3448 -17.3448 -17.3442 -17.3405 -17.3364 -17.3364 -7.9490 -7.9490 -7.4811 -7.4811 -7.4743 -7.4724 -7.4724 -7.4719 -2.4667 -2.4661 -2.4661 -2.4625 -2.1448 -2.1448 -2.1177 -2.1155 -2.1155 -2.1126 -0.2506 -0.2506 1.4835 1.5225 1.5225 1.5346 1.9150 1.9150 1.9969 2.0937 2.1085 2.1085 2.5974 2.5974 2.6533 2.6533 2.7639 2.8108 2.8404 2.8404 2.9013 2.9013 3.0146 3.0190 5.3560 5.3560 6.4787 6.4801 6.4827 6.4827 6.5710 6.5710 7.0794 7.0794 7.9098 7.9150 7.9150 7.9203 k = 0.1163 0.1163 0.1163 ( 9189 PWs) bands (ev): -36.4616 -36.4616 -36.4595 -36.4595 -36.4595 -36.4595 -17.7581 -17.7555 -17.7555 -17.7515 -17.7352 -17.7352 -17.4107 -17.4107 -17.3840 -17.3831 -17.3831 -17.3808 -17.3452 -17.3452 -17.3442 -17.3401 -17.3364 -17.3364 -7.9415 -7.9415 -7.4850 -7.4850 -7.4765 -7.4745 -7.4745 -7.4739 -2.4668 -2.4663 -2.4663 -2.4623 -2.1452 -2.1452 -2.1177 -2.1154 -2.1154 -2.1122 -0.2416 -0.2416 1.4860 1.5301 1.5301 1.5406 1.8891 1.8891 1.9989 2.1040 2.1058 2.1058 2.5736 2.5736 2.6445 2.6445 2.7486 2.8007 2.8385 2.8385 2.8935 2.8935 3.0166 3.0215 5.4227 5.4227 6.4967 6.4985 6.5007 6.5007 6.6076 6.6076 7.1377 7.1377 7.9087 7.9139 7.9139 7.9196 k = 0.1279 0.1279 0.1279 ( 9195 PWs) bands (ev): -36.4616 -36.4616 -36.4595 -36.4595 -36.4595 -36.4595 -17.7581 -17.7554 -17.7554 -17.7510 -17.7356 -17.7356 -17.4102 -17.4102 -17.3843 -17.3834 -17.3834 -17.3808 -17.3456 -17.3456 -17.3442 -17.3397 -17.3365 -17.3365 -7.9335 -7.9335 -7.4891 -7.4891 -7.4788 -7.4767 -7.4767 -7.4761 -2.4670 -2.4666 -2.4666 -2.4621 -2.1457 -2.1457 -2.1177 -2.1152 -2.1152 -2.1118 -0.2323 -0.2323 1.4880 1.5370 1.5370 1.5449 1.8612 1.8612 2.0030 2.1042 2.1042 2.1153 2.5481 2.5481 2.6359 2.6359 2.7335 2.7905 2.8371 2.8371 2.8879 2.8879 3.0186 3.0239 5.4911 5.4911 6.5175 6.5198 6.5216 6.5216 6.6477 6.6477 7.1997 7.1997 7.9075 7.9126 7.9126 7.9185 k = 0.1395 0.1395 0.1395 ( 9183 PWs) bands (ev): -36.4615 -36.4615 -36.4595 -36.4595 -36.4595 -36.4595 -17.7581 -17.7553 -17.7553 -17.7505 -17.7359 -17.7359 -17.4096 -17.4096 -17.3845 -17.3837 -17.3837 -17.3808 -17.3460 -17.3460 -17.3441 -17.3393 -17.3365 -17.3365 -7.9248 -7.9248 -7.4935 -7.4935 -7.4813 -7.4791 -7.4791 -7.4784 -2.4670 -2.4668 -2.4668 -2.4619 -2.1461 -2.1461 -2.1176 -2.1151 -2.1151 -2.1115 -0.2230 -0.2230 1.4890 1.5425 1.5425 1.5471 1.8316 1.8316 2.0098 2.1039 2.1039 2.1277 2.5221 2.5221 2.6275 2.6275 2.7186 2.7806 2.8364 2.8364 2.8840 2.8840 3.0205 3.0262 5.5603 5.5603 6.5413 6.5440 6.5453 6.5453 6.6910 6.6910 7.2648 7.2648 7.9062 7.9113 7.9113 7.9173 k = 0.1512 0.1512 0.1512 ( 9195 PWs) bands (ev): -36.4615 -36.4615 -36.4595 -36.4595 -36.4595 -36.4595 -17.7581 -17.7552 -17.7552 -17.7500 -17.7363 -17.7363 -17.4090 -17.4090 -17.3848 -17.3840 -17.3840 -17.3809 -17.3464 -17.3464 -17.3440 -17.3389 -17.3365 -17.3365 -7.9157 -7.9157 -7.4982 -7.4982 -7.4840 -7.4817 -7.4817 -7.4809 -2.4671 -2.4671 -2.4671 -2.4618 -2.1465 -2.1465 -2.1175 -2.1150 -2.1150 -2.1112 -0.2139 -0.2139 1.4888 1.5461 1.5461 1.5467 1.8007 1.8007 2.0195 2.1053 2.1053 2.1414 2.4964 2.4964 2.6198 2.6198 2.7044 2.7711 2.8362 2.8362 2.8815 2.8815 3.0223 3.0284 5.6295 5.6295 6.5680 6.5713 6.5722 6.5722 6.7370 6.7370 7.3324 7.3324 7.9050 7.9098 7.9098 7.9160 k = 0.1628 0.1628 0.1628 ( 9207 PWs) bands (ev): -36.4614 -36.4614 -36.4596 -36.4596 -36.4596 -36.4596 -17.7580 -17.7550 -17.7550 -17.7495 -17.7368 -17.7368 -17.4084 -17.4084 -17.3850 -17.3843 -17.3843 -17.3810 -17.3469 -17.3469 -17.3438 -17.3384 -17.3365 -17.3365 -7.9061 -7.9061 -7.5030 -7.5030 -7.4868 -7.4844 -7.4844 -7.4835 -2.4673 -2.4673 -2.4672 -2.4617 -2.1469 -2.1469 -2.1174 -2.1148 -2.1148 -2.1108 -0.2052 -0.2052 1.4870 1.5434 1.5473 1.5473 1.7689 1.7689 2.0324 2.1088 2.1088 2.1567 2.4720 2.4720 2.6129 2.6129 2.6911 2.7622 2.8365 2.8365 2.8800 2.8800 3.0238 3.0304 5.6980 5.6980 6.5978 6.6017 6.6022 6.6022 6.7850 6.7850 7.4018 7.4018 7.9039 7.9084 7.9084 7.9148 k = 0.1744 0.1744 0.1744 ( 9198 PWs) bands (ev): -36.4613 -36.4613 -36.4596 -36.4596 -36.4596 -36.4596 -17.7579 -17.7549 -17.7549 -17.7491 -17.7372 -17.7372 -17.4078 -17.4078 -17.3853 -17.3847 -17.3847 -17.3810 -17.3474 -17.3474 -17.3436 -17.3380 -17.3364 -17.3364 -7.8960 -7.8960 -7.5079 -7.5079 -7.4896 -7.4871 -7.4871 -7.4862 -2.4675 -2.4675 -2.4672 -2.4616 -2.1473 -2.1473 -2.1172 -2.1146 -2.1146 -2.1105 -0.1970 -0.1970 1.4834 1.5371 1.5456 1.5456 1.7363 1.7363 2.0486 2.1148 2.1148 2.1736 2.4495 2.4495 2.6069 2.6069 2.6790 2.7542 2.8373 2.8373 2.8793 2.8793 3.0251 3.0323 5.7651 5.7651 6.6308 6.6353 6.6353 6.6353 6.8339 6.8339 7.4723 7.4723 7.9031 7.9072 7.9072 7.9137 k = 0.1860 0.1860 0.1860 ( 9192 PWs) bands (ev): -36.4613 -36.4613 -36.4596 -36.4596 -36.4596 -36.4596 -17.7577 -17.7547 -17.7547 -17.7486 -17.7377 -17.7377 -17.4072 -17.4072 -17.3855 -17.3850 -17.3850 -17.3811 -17.3479 -17.3479 -17.3434 -17.3376 -17.3364 -17.3364 -7.8857 -7.8857 -7.5130 -7.5130 -7.4926 -7.4900 -7.4900 -7.4891 -2.4677 -2.4677 -2.4672 -2.4615 -2.1476 -2.1476 -2.1170 -2.1144 -2.1144 -2.1103 -0.1895 -0.1895 1.4778 1.5276 1.5404 1.5404 1.7034 1.7034 2.0681 2.1237 2.1237 2.1922 2.4297 2.4297 2.6020 2.6020 2.6683 2.7471 2.8385 2.8385 2.8792 2.8792 3.0262 3.0339 5.8303 5.8303 6.6669 6.6716 6.6716 6.6719 6.8826 6.8826 7.5431 7.5431 7.9025 7.9062 7.9062 7.9129 k = 0.1977 0.1977 0.1977 ( 9198 PWs) bands (ev): -36.4612 -36.4612 -36.4597 -36.4596 -36.4596 -36.4596 -17.7575 -17.7546 -17.7546 -17.7481 -17.7381 -17.7381 -17.4065 -17.4065 -17.3857 -17.3854 -17.3854 -17.3813 -17.3485 -17.3485 -17.3432 -17.3371 -17.3363 -17.3363 -7.8751 -7.8751 -7.5181 -7.5181 -7.4956 -7.4930 -7.4930 -7.4920 -2.4678 -2.4678 -2.4671 -2.4615 -2.1479 -2.1479 -2.1168 -2.1142 -2.1142 -2.1100 -0.1830 -0.1830 1.4700 1.5151 1.5316 1.5316 1.6704 1.6704 2.0908 2.1354 2.1354 2.2127 2.4131 2.4131 2.5983 2.5983 2.6591 2.7412 2.8401 2.8401 2.8794 2.8794 3.0269 3.0353 5.8929 5.8929 6.7060 6.7110 6.7110 6.7117 6.9296 6.9296 7.6134 7.6134 7.9024 7.9056 7.9056 7.9124 k = 0.2093 0.2093 0.2093 ( 9192 PWs) bands (ev): -36.4612 -36.4612 -36.4597 -36.4597 -36.4597 -36.4597 -17.7573 -17.7545 -17.7545 -17.7477 -17.7386 -17.7386 -17.4058 -17.4058 -17.3859 -17.3858 -17.3858 -17.3814 -17.3491 -17.3491 -17.3429 -17.3367 -17.3362 -17.3362 -7.8643 -7.8643 -7.5232 -7.5232 -7.4987 -7.4960 -7.4960 -7.4950 -2.4679 -2.4679 -2.4671 -2.4614 -2.1481 -2.1481 -2.1165 -2.1140 -2.1140 -2.1097 -0.1775 -0.1775 1.4599 1.4999 1.5190 1.5190 1.6377 1.6377 2.1163 2.1502 2.1502 2.2351 2.4001 2.4001 2.5958 2.5958 2.6515 2.7365 2.8420 2.8420 2.8800 2.8800 3.0273 3.0364 5.9524 5.9524 6.7481 6.7534 6.7534 6.7545 6.9731 6.9731 7.6827 7.6827 7.9028 7.9055 7.9055 7.9123 k = 0.2209 0.2209 0.2209 ( 9195 PWs) bands (ev): -36.4611 -36.4611 -36.4597 -36.4597 -36.4597 -36.4597 -17.7570 -17.7543 -17.7543 -17.7473 -17.7391 -17.7391 -17.4052 -17.4052 -17.3862 -17.3862 -17.3862 -17.3816 -17.3496 -17.3496 -17.3426 -17.3363 -17.3361 -17.3361 -7.8534 -7.8534 -7.5282 -7.5282 -7.5017 -7.4990 -7.4990 -7.4980 -2.4680 -2.4680 -2.4670 -2.4613 -2.1483 -2.1483 -2.1162 -2.1138 -2.1138 -2.1095 -0.1733 -0.1733 1.4476 1.4822 1.5027 1.5027 1.6055 1.6055 2.1444 2.1677 2.1677 2.2593 2.3910 2.3910 2.5947 2.5947 2.6457 2.7332 2.8441 2.8441 2.8808 2.8808 3.0274 3.0371 6.0082 6.0082 6.7930 6.7987 6.7987 6.8001 7.0113 7.0113 7.7500 7.7500 7.9037 7.9058 7.9058 7.9127 k = 0.2326 0.2326 0.2326 ( 9210 PWs) bands (ev): -36.4611 -36.4611 -36.4597 -36.4597 -36.4597 -36.4597 -17.7568 -17.7542 -17.7542 -17.7469 -17.7397 -17.7397 -17.4045 -17.4045 -17.3866 -17.3866 -17.3864 -17.3818 -17.3503 -17.3503 -17.3423 -17.3360 -17.3360 -17.3359 -7.8425 -7.8425 -7.5331 -7.5331 -7.5049 -7.5021 -7.5021 -7.5011 -2.4680 -2.4680 -2.4669 -2.4613 -2.1485 -2.1485 -2.1159 -2.1135 -2.1135 -2.1093 -0.1703 -0.1703 1.4332 1.4624 1.4830 1.4830 1.5739 1.5739 2.1748 2.1878 2.1878 2.2853 2.3862 2.3862 2.5948 2.5948 2.6417 2.7311 2.8464 2.8464 2.8817 2.8817 3.0270 3.0375 6.0596 6.0596 6.8407 6.8468 6.8468 6.8484 7.0426 7.0426 7.8149 7.8149 7.9052 7.9067 7.9067 7.9137 k = 0.2442 0.2442 0.2442 ( 9219 PWs) bands (ev): -36.4610 -36.4610 -36.4598 -36.4598 -36.4598 -36.4598 -17.7565 -17.7541 -17.7541 -17.7466 -17.7402 -17.7402 -17.4039 -17.4039 -17.3869 -17.3869 -17.3866 -17.3820 -17.3509 -17.3509 -17.3420 -17.3359 -17.3359 -17.3355 -7.8316 -7.8316 -7.5379 -7.5379 -7.5080 -7.5052 -7.5052 -7.5042 -2.4680 -2.4680 -2.4668 -2.4613 -2.1485 -2.1485 -2.1155 -2.1133 -2.1133 -2.1091 -0.1686 -0.1686 1.4167 1.4408 1.4605 1.4605 1.5430 1.5430 2.2070 2.2099 2.2099 2.3130 2.3857 2.3857 2.5962 2.5962 2.6394 2.7305 2.8488 2.8488 2.8827 2.8827 3.0263 3.0375 6.1055 6.1055 6.8909 6.8974 6.8974 6.8992 7.0660 7.0660 7.8766 7.8766 7.9073 7.9081 7.9081 7.9152 k = 0.2558 0.2558 0.2558 ( 9216 PWs) bands (ev): -36.4610 -36.4610 -36.4598 -36.4598 -36.4598 -36.4598 -17.7562 -17.7540 -17.7540 -17.7462 -17.7407 -17.7407 -17.4032 -17.4032 -17.3873 -17.3873 -17.3868 -17.3822 -17.3515 -17.3515 -17.3416 -17.3358 -17.3358 -17.3350 -7.8209 -7.8209 -7.5424 -7.5424 -7.5111 -7.5083 -7.5083 -7.5073 -2.4679 -2.4679 -2.4666 -2.4613 -2.1485 -2.1485 -2.1152 -2.1130 -2.1130 -2.1089 -0.1684 -0.1684 1.3986 1.4178 1.4356 1.4356 1.5128 1.5128 2.2335 2.2335 2.2409 2.3422 2.3899 2.3899 2.5988 2.5988 2.6389 2.7312 2.8513 2.8513 2.8837 2.8837 3.0250 3.0371 6.1450 6.1450 6.9434 6.9503 6.9503 6.9524 7.0819 7.0819 7.9100 7.9100 7.9100 7.9172 7.9348 7.9348 k = 0.2674 0.2674 0.2674 ( 9210 PWs) bands (ev): -36.4609 -36.4609 -36.4598 -36.4598 -36.4598 -36.4598 -17.7558 -17.7538 -17.7538 -17.7459 -17.7413 -17.7413 -17.4026 -17.4026 -17.3876 -17.3876 -17.3869 -17.3824 -17.3521 -17.3521 -17.3412 -17.3356 -17.3356 -17.3346 -7.8105 -7.8105 -7.5466 -7.5466 -7.5141 -7.5113 -7.5113 -7.5103 -2.4677 -2.4677 -2.4664 -2.4612 -2.1485 -2.1485 -2.1148 -2.1127 -2.1127 -2.1087 -0.1694 -0.1694 1.3789 1.3938 1.4092 1.4092 1.4832 1.4832 2.2581 2.2581 2.2759 2.3727 2.3987 2.3987 2.6026 2.6026 2.6400 2.7332 2.8538 2.8538 2.8849 2.8849 3.0234 3.0363 6.1768 6.1768 6.9979 7.0052 7.0052 7.0075 7.0918 7.0918 7.9125 7.9125 7.9133 7.9197 7.9889 7.9889 k = 0.2791 0.2791 0.2791 ( 9204 PWs) bands (ev): -36.4608 -36.4608 -36.4599 -36.4599 -36.4599 -36.4598 -17.7554 -17.7537 -17.7537 -17.7457 -17.7418 -17.7418 -17.4020 -17.4020 -17.3879 -17.3879 -17.3871 -17.3827 -17.3527 -17.3527 -17.3408 -17.3354 -17.3354 -17.3343 -7.8004 -7.8004 -7.5504 -7.5504 -7.5171 -7.5144 -7.5144 -7.5134 -2.4676 -2.4676 -2.4662 -2.4612 -2.1484 -2.1484 -2.1143 -2.1124 -2.1124 -2.1085 -0.1717 -0.1717 1.3580 1.3691 1.3818 1.3818 1.4542 1.4542 2.2833 2.2833 2.3117 2.4042 2.4120 2.4120 2.6075 2.6075 2.6427 2.7366 2.8561 2.8561 2.8861 2.8861 3.0212 3.0351 6.1995 6.1995 7.0541 7.0616 7.0616 7.0642 7.0988 7.0988 7.9154 7.9154 7.9172 7.9228 8.0387 8.0387 k = 0.2907 0.2907 0.2907 ( 9204 PWs) bands (ev): -36.4608 -36.4608 -36.4599 -36.4599 -36.4599 -36.4599 -17.7551 -17.7536 -17.7536 -17.7454 -17.7423 -17.7423 -17.4015 -17.4015 -17.3882 -17.3882 -17.3872 -17.3829 -17.3533 -17.3533 -17.3403 -17.3353 -17.3353 -17.3339 -7.7908 -7.7908 -7.5539 -7.5539 -7.5201 -7.5173 -7.5173 -7.5164 -2.4673 -2.4673 -2.4660 -2.4612 -2.1482 -2.1482 -2.1139 -2.1122 -2.1122 -2.1084 -0.1753 -0.1753 1.3362 1.3439 1.3541 1.3541 1.4255 1.4255 2.3086 2.3086 2.3480 2.4296 2.4296 2.4364 2.6136 2.6136 2.6469 2.7414 2.8583 2.8583 2.8876 2.8876 3.0186 3.0334 6.2120 6.2120 7.1041 7.1041 7.1116 7.1211 7.1211 7.1221 7.9189 7.9189 7.9216 7.9263 8.0838 8.0838 k = 0.3023 0.3023 0.3023 ( 9198 PWs) bands (ev): -36.4607 -36.4607 -36.4599 -36.4599 -36.4599 -36.4599 -17.7546 -17.7535 -17.7535 -17.7452 -17.7428 -17.7428 -17.4009 -17.4009 -17.3884 -17.3884 -17.3874 -17.3832 -17.3539 -17.3539 -17.3399 -17.3351 -17.3351 -17.3336 -7.7817 -7.7817 -7.5568 -7.5568 -7.5229 -7.5202 -7.5202 -7.5193 -2.4671 -2.4671 -2.4658 -2.4612 -2.1480 -2.1480 -2.1135 -2.1119 -2.1119 -2.1082 -0.1799 -0.1799 1.3138 1.3186 1.3266 1.3266 1.3974 1.3974 2.3338 2.3338 2.3844 2.4510 2.4510 2.4690 2.6206 2.6206 2.6527 2.7474 2.8601 2.8601 2.8894 2.8894 3.0155 3.0313 6.2135 6.2135 7.1151 7.1151 7.1699 7.1789 7.1789 7.1807 7.9229 7.9229 7.9266 7.9303 8.1239 8.1239 k = 0.3140 0.3140 0.3140 ( 9216 PWs) bands (ev): -36.4607 -36.4607 -36.4599 -36.4599 -36.4599 -36.4599 -17.7542 -17.7534 -17.7534 -17.7451 -17.7433 -17.7433 -17.4005 -17.4005 -17.3886 -17.3886 -17.3875 -17.3835 -17.3545 -17.3545 -17.3394 -17.3349 -17.3349 -17.3333 -7.7733 -7.7733 -7.5592 -7.5592 -7.5257 -7.5230 -7.5230 -7.5222 -2.4668 -2.4668 -2.4656 -2.4612 -2.1477 -2.1477 -2.1131 -2.1116 -2.1116 -2.1081 -0.1856 -0.1856 1.2910 1.2935 1.2995 1.2995 1.3699 1.3699 2.3590 2.3590 2.4206 2.4753 2.4753 2.5016 2.6287 2.6287 2.6598 2.7547 2.8615 2.8615 2.8917 2.8917 3.0119 3.0288 6.2042 6.2042 7.1307 7.1307 7.2284 7.2377 7.2377 7.2395 7.9274 7.9274 7.9322 7.9349 8.1589 8.1589 k = 0.3256 0.3256 0.3256 ( 9210 PWs) bands (ev): -36.4606 -36.4606 -36.4600 -36.4600 -36.4600 -36.4600 -17.7538 -17.7533 -17.7533 -17.7450 -17.7437 -17.7437 -17.4001 -17.4001 -17.3887 -17.3887 -17.3876 -17.3837 -17.3550 -17.3550 -17.3390 -17.3347 -17.3347 -17.3330 -7.7656 -7.7656 -7.5610 -7.5610 -7.5283 -7.5257 -7.5257 -7.5249 -2.4664 -2.4664 -2.4653 -2.4613 -2.1474 -2.1474 -2.1127 -2.1113 -2.1113 -2.1080 -0.1920 -0.1920 1.2683 1.2688 1.2732 1.2732 1.3431 1.3431 2.3841 2.3841 2.4562 2.5017 2.5017 2.5337 2.6377 2.6377 2.6685 2.7632 2.8624 2.8624 2.8945 2.8945 3.0078 3.0259 6.1849 6.1849 7.1526 7.1526 7.2865 7.2959 7.2959 7.2976 7.9328 7.9328 7.9386 7.9402 8.1890 8.1890 k = 0.3372 0.3372 0.3372 ( 9216 PWs) bands (ev): -36.4606 -36.4606 -36.4600 -36.4600 -36.4600 -36.4600 -17.7534 -17.7532 -17.7532 -17.7449 -17.7442 -17.7442 -17.3998 -17.3998 -17.3888 -17.3888 -17.3877 -17.3840 -17.3556 -17.3556 -17.3385 -17.3345 -17.3345 -17.3327 -7.7587 -7.7587 -7.5621 -7.5621 -7.5309 -7.5283 -7.5283 -7.5276 -2.4661 -2.4661 -2.4651 -2.4613 -2.1471 -2.1471 -2.1123 -2.1110 -2.1110 -2.1080 -0.1990 -0.1990 1.2447 1.2457 1.2478 1.2478 1.3172 1.3172 2.4090 2.4090 2.4907 2.5294 2.5294 2.5647 2.6475 2.6475 2.6787 2.7730 2.8628 2.8628 2.8980 2.8980 3.0033 3.0227 6.1573 6.1573 7.1809 7.1809 7.3432 7.3526 7.3526 7.3542 7.9392 7.9392 7.9461 7.9465 8.2145 8.2145 k = 0.3488 0.3488 0.3488 ( 9219 PWs) bands (ev): -36.4605 -36.4605 -36.4600 -36.4600 -36.4600 -36.4600 -17.7532 -17.7532 -17.7529 -17.7448 -17.7446 -17.7446 -17.3996 -17.3996 -17.3888 -17.3888 -17.3878 -17.3843 -17.3561 -17.3561 -17.3380 -17.3343 -17.3343 -17.3325 -7.7526 -7.7526 -7.5627 -7.5627 -7.5333 -7.5307 -7.5307 -7.5302 -2.4657 -2.4657 -2.4648 -2.4613 -2.1467 -2.1467 -2.1119 -2.1107 -2.1107 -2.1079 -0.2066 -0.2066 1.2215 1.2237 1.2237 1.2237 1.2923 1.2923 2.4337 2.4337 2.5239 2.5575 2.5575 2.5941 2.6581 2.6581 2.6908 2.7838 2.8628 2.8628 2.9020 2.9020 2.9984 3.0191 6.1231 6.1231 7.2148 7.2148 7.3976 7.4069 7.4069 7.4083 7.9471 7.9471 7.9543 7.9552 8.2353 8.2353 k = 0.3605 0.3605 0.3605 ( 9231 PWs) bands (ev): -36.4605 -36.4605 -36.4600 -36.4600 -36.4600 -36.4600 -17.7531 -17.7531 -17.7525 -17.7450 -17.7450 -17.7448 -17.3994 -17.3994 -17.3888 -17.3888 -17.3879 -17.3846 -17.3567 -17.3567 -17.3376 -17.3341 -17.3341 -17.3323 -7.7474 -7.7474 -7.5627 -7.5627 -7.5355 -7.5331 -7.5331 -7.5326 -2.4653 -2.4653 -2.4646 -2.4613 -2.1464 -2.1464 -2.1115 -2.1104 -2.1104 -2.1078 -0.2144 -0.2144 1.1993 1.2009 1.2009 1.2024 1.2687 1.2687 2.4580 2.4580 2.5554 2.5854 2.5854 2.6208 2.6694 2.6694 2.7051 2.7958 2.8626 2.8626 2.9067 2.9067 2.9932 3.0152 6.0844 6.0844 7.2531 7.2531 7.4485 7.4574 7.4574 7.4586 7.9573 7.9573 7.9641 7.9663 8.2489 8.2493 k = 0.3721 0.3721 0.3721 ( 9213 PWs) bands (ev): -36.4604 -36.4604 -36.4601 -36.4601 -36.4601 -36.4601 -17.7531 -17.7531 -17.7520 -17.7453 -17.7453 -17.7449 -17.3993 -17.3993 -17.3887 -17.3887 -17.3879 -17.3848 -17.3571 -17.3571 -17.3370 -17.3339 -17.3339 -17.3321 -7.7429 -7.7429 -7.5621 -7.5621 -7.5376 -7.5352 -7.5352 -7.5349 -2.4649 -2.4649 -2.4643 -2.4614 -2.1460 -2.1460 -2.1111 -2.1101 -2.1101 -2.1078 -0.2223 -0.2223 1.1783 1.1795 1.1795 1.1820 1.2464 1.2464 2.4815 2.4815 2.5848 2.6124 2.6124 2.6442 2.6813 2.6813 2.7219 2.8088 2.8622 2.8622 2.9120 2.9120 2.9877 3.0110 6.0430 6.0430 7.2947 7.2947 7.4946 7.5028 7.5028 7.5039 7.9705 7.9705 7.9770 7.9804 8.2517 8.2527 k = 0.3837 0.3837 0.3837 ( 9219 PWs) bands (ev): -36.4604 -36.4604 -36.4601 -36.4601 -36.4601 -36.4601 -17.7531 -17.7531 -17.7516 -17.7457 -17.7457 -17.7449 -17.3992 -17.3992 -17.3886 -17.3886 -17.3880 -17.3851 -17.3576 -17.3576 -17.3366 -17.3337 -17.3337 -17.3320 -7.7393 -7.7393 -7.5611 -7.5611 -7.5395 -7.5373 -7.5373 -7.5370 -2.4645 -2.4645 -2.4641 -2.4614 -2.1456 -2.1456 -2.1108 -2.1098 -2.1098 -2.1077 -0.2302 -0.2302 1.1587 1.1596 1.1596 1.1627 1.2256 1.2256 2.5039 2.5039 2.6119 2.6380 2.6380 2.6641 2.6934 2.6934 2.7409 2.8224 2.8620 2.8620 2.9178 2.9178 2.9819 3.0068 6.0005 6.0005 7.3384 7.3384 7.5347 7.5419 7.5419 7.5430 7.9874 7.9874 7.9933 7.9979 8.2450 8.2494 k = 0.3953 0.3953 0.3953 ( 9225 PWs) bands (ev): -36.4603 -36.4603 -36.4601 -36.4601 -36.4601 -36.4601 -17.7530 -17.7530 -17.7511 -17.7460 -17.7460 -17.7450 -17.3992 -17.3992 -17.3884 -17.3884 -17.3880 -17.3853 -17.3580 -17.3580 -17.3361 -17.3336 -17.3336 -17.3319 -7.7364 -7.7364 -7.5597 -7.5597 -7.5413 -7.5391 -7.5391 -7.5390 -2.4642 -2.4642 -2.4639 -2.4614 -2.1452 -2.1452 -2.1104 -2.1095 -2.1095 -2.1077 -0.2379 -0.2379 1.1406 1.1414 1.1414 1.1447 1.2065 1.2065 2.5248 2.5248 2.6365 2.6616 2.6616 2.6807 2.7055 2.7055 2.7614 2.8366 2.8622 2.8622 2.9241 2.9241 2.9761 3.0024 5.9584 5.9584 7.3830 7.3830 7.5680 7.5739 7.5739 7.5752 8.0081 8.0081 8.0136 8.0191 8.2337 8.2344 k = 0.4070 0.4070 0.4070 ( 9231 PWs) bands (ev): -36.4603 -36.4603 -36.4601 -36.4601 -36.4601 -36.4601 -17.7530 -17.7530 -17.7507 -17.7463 -17.7463 -17.7452 -17.3992 -17.3992 -17.3883 -17.3883 -17.3880 -17.3856 -17.3584 -17.3584 -17.3356 -17.3334 -17.3334 -17.3319 -7.7341 -7.7341 -7.5580 -7.5580 -7.5429 -7.5408 -7.5408 -7.5408 -2.4638 -2.4638 -2.4636 -2.4615 -2.1449 -2.1449 -2.1101 -2.1093 -2.1093 -2.1077 -0.2452 -0.2452 1.1241 1.1249 1.1249 1.1282 1.1891 1.1891 2.5441 2.5441 2.6586 2.6828 2.6828 2.6948 2.7172 2.7172 2.7821 2.8507 2.8630 2.8630 2.9308 2.9308 2.9705 2.9981 5.9178 5.9178 7.4275 7.4275 7.5941 7.5986 7.5986 7.6002 8.0324 8.0324 8.0376 8.0436 8.2237 8.2238 k = 0.4186 0.4186 0.4186 ( 9219 PWs) bands (ev): -36.4603 -36.4603 -36.4601 -36.4601 -36.4601 -36.4601 -17.7530 -17.7530 -17.7502 -17.7465 -17.7465 -17.7453 -17.3992 -17.3992 -17.3881 -17.3881 -17.3880 -17.3859 -17.3588 -17.3588 -17.3352 -17.3332 -17.3332 -17.3318 -7.7323 -7.7323 -7.5562 -7.5562 -7.5443 -7.5424 -7.5423 -7.5423 -2.4634 -2.4634 -2.4634 -2.4615 -2.1445 -2.1445 -2.1098 -2.1090 -2.1090 -2.1077 -0.2519 -0.2519 1.1093 1.1102 1.1102 1.1132 1.1735 1.1735 2.5616 2.5616 2.6782 2.7011 2.7011 2.7071 2.7282 2.7282 2.8020 2.8641 2.8646 2.8646 2.9377 2.9377 2.9652 2.9939 5.8797 5.8797 7.4708 7.4708 7.6136 7.6166 7.6166 7.6186 8.0589 8.0589 8.0642 8.0702 8.2149 8.2149 k = 0.4302 0.4302 0.4302 ( 9219 PWs) bands (ev): -36.4603 -36.4603 -36.4601 -36.4601 -36.4601 -36.4601 -17.7530 -17.7530 -17.7497 -17.7467 -17.7467 -17.7455 -17.3992 -17.3992 -17.3879 -17.3879 -17.3879 -17.3861 -17.3591 -17.3591 -17.3348 -17.3331 -17.3331 -17.3318 -7.7310 -7.7310 -7.5544 -7.5544 -7.5455 -7.5438 -7.5436 -7.5436 -2.4632 -2.4631 -2.4631 -2.4616 -2.1442 -2.1442 -2.1095 -2.1088 -2.1088 -2.1077 -0.2581 -0.2581 1.0964 1.0973 1.0973 1.1000 1.1599 1.1599 2.5770 2.5770 2.6952 2.7162 2.7162 2.7178 2.7381 2.7381 2.8203 2.8673 2.8673 2.8761 2.9447 2.9447 2.9609 2.9900 5.8449 5.8449 7.5118 7.5118 7.6272 7.6289 7.6289 7.6314 8.0858 8.0858 8.0918 8.0973 8.2071 8.2071 k = 0.4419 0.4419 0.4419 ( 9219 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7530 -17.7530 -17.7493 -17.7469 -17.7469 -17.7457 -17.3993 -17.3993 -17.3878 -17.3877 -17.3877 -17.3863 -17.3593 -17.3593 -17.3344 -17.3330 -17.3330 -17.3319 -7.7301 -7.7301 -7.5526 -7.5526 -7.5465 -7.5451 -7.5447 -7.5447 -2.4630 -2.4628 -2.4628 -2.4617 -2.1439 -2.1439 -2.1092 -2.1086 -2.1086 -2.1077 -0.2634 -0.2634 1.0854 1.0863 1.0863 1.0886 1.1482 1.1482 2.5903 2.5903 2.7098 2.7270 2.7278 2.7278 2.7467 2.7467 2.8366 2.8708 2.8708 2.8857 2.9514 2.9514 2.9580 2.9863 5.8143 5.8143 7.5493 7.5493 7.6364 7.6369 7.6369 7.6397 8.1113 8.1113 8.1184 8.1230 8.2005 8.2005 k = 0.4535 0.4535 0.4535 ( 9225 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7489 -17.7470 -17.7470 -17.7460 -17.3993 -17.3993 -17.3878 -17.3876 -17.3876 -17.3866 -17.3596 -17.3596 -17.3340 -17.3329 -17.3329 -17.3320 -7.7294 -7.7294 -7.5511 -7.5511 -7.5473 -7.5462 -7.5456 -7.5456 -2.4628 -2.4626 -2.4626 -2.4617 -2.1437 -2.1437 -2.1089 -2.1085 -2.1085 -2.1078 -0.2680 -0.2680 1.0764 1.0773 1.0773 1.0790 1.1386 1.1386 2.6014 2.6014 2.7220 2.7347 2.7362 2.7362 2.7541 2.7541 2.8505 2.8749 2.8749 2.8920 2.9572 2.9575 2.9575 2.9830 5.7884 5.7884 7.5824 7.5824 7.6418 7.6418 7.6423 7.6449 8.1336 8.1336 8.1423 8.1459 8.1952 8.1952 k = 0.4651 0.4651 0.4651 ( 9216 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7484 -17.7471 -17.7471 -17.7463 -17.3994 -17.3994 -17.3877 -17.3874 -17.3874 -17.3867 -17.3597 -17.3597 -17.3336 -17.3328 -17.3328 -17.3321 -7.7290 -7.7290 -7.5498 -7.5498 -7.5479 -7.5470 -7.5463 -7.5463 -2.4626 -2.4624 -2.4624 -2.4618 -2.1435 -2.1435 -2.1087 -2.1083 -2.1083 -2.1078 -0.2716 -0.2716 1.0694 1.0702 1.0702 1.0715 1.1311 1.1311 2.6102 2.6102 2.7319 2.7408 2.7416 2.7416 2.7601 2.7601 2.8621 2.8790 2.8790 2.8945 2.9587 2.9627 2.9627 2.9799 5.7677 5.7677 7.6097 7.6097 7.6446 7.6446 7.6458 7.6478 8.1516 8.1516 8.1621 8.1646 8.1914 8.1914 k = 0.4767 0.4767 0.4767 ( 9228 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7480 -17.7472 -17.7472 -17.7466 -17.3994 -17.3994 -17.3876 -17.3874 -17.3874 -17.3870 -17.3599 -17.3599 -17.3333 -17.3328 -17.3328 -17.3323 -7.7287 -7.7287 -7.5489 -7.5489 -7.5482 -7.5477 -7.5467 -7.5467 -2.4625 -2.4623 -2.4623 -2.4620 -2.1434 -2.1434 -2.1085 -2.1083 -2.1083 -2.1079 -0.2742 -0.2742 1.0645 1.0651 1.0651 1.0659 1.1257 1.1257 2.6166 2.6166 2.7393 2.7448 2.7448 2.7450 2.7645 2.7645 2.8717 2.8825 2.8825 2.8938 2.9620 2.9666 2.9666 2.9768 5.7526 5.7526 7.6300 7.6300 7.6463 7.6463 7.6479 7.6492 8.1643 8.1643 8.1770 8.1785 8.1894 8.1894 k = 0.4884 0.4884 0.4884 ( 9240 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7477 -17.7473 -17.7473 -17.7469 -17.3994 -17.3994 -17.3875 -17.3873 -17.3873 -17.3872 -17.3599 -17.3599 -17.3330 -17.3327 -17.3327 -17.3325 -7.7285 -7.7285 -7.5485 -7.5485 -7.5484 -7.5481 -7.5468 -7.5468 -2.4624 -2.4622 -2.4622 -2.4621 -2.1433 -2.1433 -2.1083 -2.1082 -2.1082 -2.1081 -0.2758 -0.2758 1.0617 1.0620 1.0620 1.0624 1.1224 1.1224 2.6205 2.6205 2.7444 2.7464 2.7464 2.7471 2.7671 2.7671 2.8794 2.8849 2.8849 2.8906 2.9660 2.9691 2.9691 2.9735 5.7434 5.7434 7.6418 7.6418 7.6479 7.6479 7.6491 7.6498 8.1710 8.1710 8.1862 8.1869 8.1892 8.1892 k = 0.5000 0.5000 0.5000 ( 9328 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7532 -17.7532 -17.7474 -17.7474 -17.7474 -17.7474 -17.3995 -17.3995 -17.3874 -17.3874 -17.3874 -17.3874 -17.3601 -17.3601 -17.3328 -17.3328 -17.3328 -17.3328 -7.7285 -7.7285 -7.5484 -7.5484 -7.5484 -7.5484 -7.5468 -7.5468 -2.4623 -2.4623 -2.4623 -2.4623 -2.1434 -2.1434 -2.1083 -2.1083 -2.1083 -2.1083 -0.2763 -0.2763 1.0610 1.0610 1.0610 1.0610 1.1214 1.1214 2.6218 2.6218 2.7469 2.7469 2.7469 2.7469 2.7680 2.7680 2.8857 2.8857 2.8857 2.8857 2.9699 2.9699 2.9699 2.9699 5.7403 5.7403 7.6445 7.6445 7.6496 7.6496 7.6496 7.6496 8.1728 8.1728 8.1895 8.1895 8.1895 8.1895 k = 0.5000 0.5000 0.5000 ( 9328 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7532 -17.7532 -17.7474 -17.7474 -17.7474 -17.7474 -17.3995 -17.3995 -17.3874 -17.3874 -17.3874 -17.3874 -17.3601 -17.3601 -17.3328 -17.3328 -17.3328 -17.3328 -7.7285 -7.7285 -7.5484 -7.5484 -7.5484 -7.5484 -7.5468 -7.5468 -2.4623 -2.4623 -2.4623 -2.4623 -2.1434 -2.1434 -2.1083 -2.1083 -2.1083 -2.1083 -0.2763 -0.2763 1.0610 1.0610 1.0610 1.0610 1.1214 1.1214 2.6218 2.6218 2.7469 2.7469 2.7469 2.7469 2.7680 2.7680 2.8857 2.8857 2.8857 2.8857 2.9699 2.9699 2.9699 2.9699 5.7403 5.7403 7.6445 7.6445 7.6496 7.6496 7.6496 7.6496 8.1728 8.1728 8.1895 8.1895 8.1895 8.1895 k = 0.4857 0.5000 0.4857 ( 9236 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7476 -17.7474 -17.7472 -17.7469 -17.3994 -17.3994 -17.3874 -17.3874 -17.3873 -17.3871 -17.3599 -17.3599 -17.3330 -17.3328 -17.3327 -17.3325 -7.7285 -7.7285 -7.5485 -7.5484 -7.5484 -7.5482 -7.5468 -7.5468 -2.4623 -2.4622 -2.4622 -2.4621 -2.1433 -2.1433 -2.1084 -2.1083 -2.1082 -2.1081 -0.2758 -0.2758 1.0617 1.0620 1.0621 1.0624 1.1224 1.1224 2.6205 2.6206 2.7444 2.7460 2.7467 2.7472 2.7671 2.7672 2.8796 2.8834 2.8863 2.8904 2.9660 2.9682 2.9701 2.9734 5.7434 5.7435 7.6416 7.6426 7.6468 7.6482 7.6493 7.6497 8.1710 8.1710 8.1864 8.1871 8.1889 8.1890 k = 0.4714 0.5000 0.4714 ( 9224 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7480 -17.7474 -17.7470 -17.7466 -17.3994 -17.3994 -17.3876 -17.3874 -17.3873 -17.3870 -17.3599 -17.3599 -17.3333 -17.3329 -17.3326 -17.3323 -7.7287 -7.7287 -7.5488 -7.5487 -7.5484 -7.5479 -7.5467 -7.5466 -2.4625 -2.4623 -2.4622 -2.4620 -2.1434 -2.1434 -2.1085 -2.1083 -2.1082 -2.1079 -0.2742 -0.2742 1.0643 1.0651 1.0652 1.0661 1.1257 1.1257 2.6163 2.6169 2.7394 2.7438 2.7448 2.7458 2.7644 2.7646 2.8723 2.8794 2.8854 2.8935 2.9619 2.9650 2.9686 2.9763 5.7527 5.7527 7.6304 7.6346 7.6395 7.6446 7.6499 7.6505 8.1637 8.1642 8.1790 8.1809 8.1871 8.1876 k = 0.4571 0.5000 0.4571 ( 9224 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7530 -17.7484 -17.7475 -17.7469 -17.7463 -17.3994 -17.3994 -17.3877 -17.3875 -17.3873 -17.3868 -17.3597 -17.3597 -17.3336 -17.3330 -17.3326 -17.3321 -7.7290 -7.7289 -7.5494 -7.5493 -7.5484 -7.5477 -7.5462 -7.5459 -2.4627 -2.4625 -2.4623 -2.4619 -2.1435 -2.1435 -2.1087 -2.1085 -2.1082 -2.1079 -0.2716 -0.2715 1.0688 1.0700 1.0707 1.0720 1.1311 1.1312 2.6091 2.6110 2.7316 2.7398 2.7406 2.7432 2.7599 2.7607 2.8639 2.8737 2.8828 2.8948 2.9580 2.9607 2.9656 2.9789 5.7678 5.7679 7.6115 7.6178 7.6306 7.6382 7.6514 7.6524 8.1484 8.1496 8.1700 8.1739 8.1837 8.1858 k = 0.4429 0.5000 0.4429 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7530 -17.7488 -17.7475 -17.7467 -17.7460 -17.3993 -17.3993 -17.3878 -17.3877 -17.3874 -17.3866 -17.3596 -17.3595 -17.3339 -17.3331 -17.3327 -17.3320 -7.7294 -7.7293 -7.5504 -7.5503 -7.5484 -7.5477 -7.5453 -7.5448 -2.4628 -2.4627 -2.4625 -2.4618 -2.1437 -2.1437 -2.1090 -2.1086 -2.1083 -2.1078 -0.2679 -0.2679 1.0752 1.0767 1.0783 1.0800 1.1387 1.1389 2.5988 2.6032 2.7210 2.7331 2.7339 2.7391 2.7543 2.7555 2.8548 2.8665 2.8785 2.8943 2.9548 2.9559 2.9611 2.9813 5.7887 5.7889 7.5857 7.5936 7.6194 7.6291 7.6533 7.6548 8.1258 8.1277 8.1592 8.1664 8.1786 8.1834 k = 0.4286 0.5000 0.4286 ( 9236 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4601 -17.7531 -17.7530 -17.7492 -17.7475 -17.7464 -17.7458 -17.3993 -17.3993 -17.3880 -17.3878 -17.3875 -17.3864 -17.3594 -17.3593 -17.3343 -17.3333 -17.3327 -17.3319 -7.7300 -7.7299 -7.5517 -7.5515 -7.5484 -7.5476 -7.5439 -7.5433 -2.4631 -2.4629 -2.4627 -2.4617 -2.1440 -2.1439 -2.1092 -2.1088 -2.1084 -2.1078 -0.2634 -0.2633 1.0833 1.0851 1.0881 1.0901 1.1483 1.1488 2.5854 2.5935 2.7072 2.7230 2.7245 2.7332 2.7481 2.7495 2.8452 2.8581 2.8724 2.8919 2.9506 2.9531 2.9556 2.9836 5.8148 5.8152 7.5536 7.5628 7.6059 7.6173 7.6550 7.6569 8.0978 8.1002 8.1453 8.1567 8.1713 8.1798 k = 0.4143 0.5000 0.4143 ( 9232 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4601 -36.4601 -17.7531 -17.7530 -17.7496 -17.7474 -17.7462 -17.7455 -17.3993 -17.3992 -17.3882 -17.3878 -17.3877 -17.3862 -17.3591 -17.3590 -17.3348 -17.3335 -17.3328 -17.3318 -7.7308 -7.7307 -7.5533 -7.5531 -7.5482 -7.5474 -7.5423 -7.5415 -2.4633 -2.4631 -2.4630 -2.4616 -2.1444 -2.1441 -2.1095 -2.1090 -2.1086 -2.1077 -0.2580 -0.2578 1.0933 1.0954 1.1000 1.1022 1.1601 1.1610 2.5689 2.5820 2.6902 2.7096 2.7120 2.7255 2.7413 2.7425 2.8356 2.8491 2.8648 2.8879 2.9457 2.9493 2.9525 2.9858 5.8459 5.8465 7.5159 7.5260 7.5902 7.6031 7.6558 7.6582 8.0658 8.0687 8.1272 8.1421 8.1628 8.1746 k = 0.4000 0.5000 0.4000 ( 9230 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4601 -36.4601 -17.7532 -17.7529 -17.7499 -17.7474 -17.7459 -17.7453 -17.3992 -17.3992 -17.3884 -17.3879 -17.3878 -17.3859 -17.3588 -17.3587 -17.3352 -17.3336 -17.3329 -17.3318 -7.7319 -7.7317 -7.5552 -7.5550 -7.5478 -7.5470 -7.5403 -7.5393 -2.4636 -2.4633 -2.4633 -2.4616 -2.1447 -2.1443 -2.1099 -2.1093 -2.1087 -2.1077 -0.2518 -0.2515 1.1050 1.1073 1.1138 1.1162 1.1740 1.1753 2.5491 2.5685 2.6698 2.6936 2.6963 2.7159 2.7336 2.7348 2.8260 2.8400 2.8558 2.8829 2.9411 2.9424 2.9532 2.9879 5.8813 5.8823 7.4732 7.4840 7.5728 7.5870 7.6546 7.6576 8.0309 8.0341 8.1048 8.1209 8.1550 8.1683 k = 0.3857 0.5000 0.3857 ( 9230 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4601 -36.4601 -17.7532 -17.7529 -17.7502 -17.7474 -17.7456 -17.7451 -17.3992 -17.3991 -17.3886 -17.3880 -17.3879 -17.3857 -17.3585 -17.3583 -17.3357 -17.3338 -17.3331 -17.3318 -7.7333 -7.7331 -7.5574 -7.5571 -7.5471 -7.5464 -7.5381 -7.5369 -2.4640 -2.4637 -2.4636 -2.4615 -2.1452 -2.1446 -2.1103 -2.1095 -2.1089 -2.1077 -0.2449 -0.2444 1.1184 1.1209 1.1294 1.1319 1.1898 1.1917 2.5262 2.5527 2.6468 2.6756 2.6775 2.7042 2.7247 2.7267 2.8160 2.8317 2.8458 2.8773 2.9352 2.9367 2.9549 2.9901 5.9207 5.9220 7.4262 7.4376 7.5538 7.5690 7.6504 7.6540 7.9939 7.9974 8.0792 8.0949 8.1484 8.1618 k = 0.3714 0.5000 0.3714 ( 9220 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4601 -36.4601 -17.7533 -17.7530 -17.7505 -17.7473 -17.7453 -17.7450 -17.3991 -17.3991 -17.3889 -17.3882 -17.3879 -17.3854 -17.3581 -17.3579 -17.3361 -17.3340 -17.3332 -17.3318 -7.7351 -7.7347 -7.5599 -7.5595 -7.5461 -7.5454 -7.5356 -7.5343 -2.4643 -2.4641 -2.4638 -2.4615 -2.1456 -2.1448 -2.1107 -2.1097 -2.1091 -2.1077 -0.2374 -0.2368 1.1334 1.1361 1.1468 1.1492 1.2077 1.2102 2.5004 2.5339 2.6218 2.6559 2.6563 2.6904 2.7143 2.7188 2.8050 2.8246 2.8352 2.8715 2.9280 2.9323 2.9573 2.9922 5.9635 5.9651 7.3758 7.3875 7.5336 7.5496 7.6415 7.6459 7.9556 7.9591 8.0530 8.0675 8.1431 8.1559 k = 0.3571 0.5000 0.3571 ( 9216 PWs) bands (ev): -36.4603 -36.4603 -36.4602 -36.4602 -36.4600 -36.4600 -17.7534 -17.7531 -17.7506 -17.7472 -17.7449 -17.7448 -17.3991 -17.3991 -17.3891 -17.3884 -17.3878 -17.3852 -17.3577 -17.3574 -17.3366 -17.3342 -17.3334 -17.3318 -7.7373 -7.7368 -7.5627 -7.5622 -7.5448 -7.5442 -7.5328 -7.5314 -2.4646 -2.4646 -2.4640 -2.4614 -2.1462 -2.1451 -2.1112 -2.1099 -2.1093 -2.1077 -0.2295 -0.2287 1.1500 1.1527 1.1657 1.1681 1.2273 1.2307 2.4717 2.5114 2.5961 2.6319 2.6361 2.6748 2.7023 2.7113 2.7928 2.8189 2.8245 2.8657 2.9208 2.9279 2.9602 2.9943 6.0091 6.0111 7.3228 7.3347 7.5125 7.5290 7.6264 7.6318 7.9164 7.9200 8.0291 8.0419 8.1391 8.1512 k = 0.3429 0.5000 0.3429 ( 9200 PWs) bands (ev): -36.4604 -36.4604 -36.4602 -36.4602 -36.4600 -36.4600 -17.7534 -17.7533 -17.7506 -17.7471 -17.7447 -17.7445 -17.3991 -17.3990 -17.3893 -17.3886 -17.3877 -17.3849 -17.3572 -17.3569 -17.3371 -17.3344 -17.3336 -17.3318 -7.7398 -7.7392 -7.5656 -7.5651 -7.5430 -7.5425 -7.5298 -7.5283 -2.4650 -2.4649 -2.4642 -2.4613 -2.1467 -2.1453 -2.1116 -2.1102 -2.1095 -2.1077 -0.2213 -0.2202 1.1680 1.1708 1.1861 1.1884 1.2488 1.2530 2.4407 2.4849 2.5702 2.6058 2.6159 2.6579 2.6886 2.7041 2.7797 2.8140 2.8141 2.8600 2.9137 2.9232 2.9635 2.9964 6.0570 6.0593 7.2679 7.2799 7.4907 7.5075 7.6041 7.6106 7.8769 7.8803 8.0095 8.0203 8.1368 8.1480 k = 0.3286 0.5000 0.3286 ( 9204 PWs) bands (ev): -36.4604 -36.4604 -36.4602 -36.4602 -36.4600 -36.4600 -17.7536 -17.7536 -17.7505 -17.7470 -17.7446 -17.7442 -17.3991 -17.3991 -17.3896 -17.3888 -17.3876 -17.3846 -17.3568 -17.3564 -17.3376 -17.3347 -17.3339 -17.3319 -7.7427 -7.7420 -7.5688 -7.5682 -7.5408 -7.5404 -7.5266 -7.5250 -2.4656 -2.4653 -2.4644 -2.4613 -2.1473 -2.1455 -2.1122 -2.1104 -2.1097 -2.1077 -0.2128 -0.2115 1.1874 1.1902 1.2079 1.2101 1.2718 1.2769 2.4078 2.4547 2.5439 2.5778 2.5963 2.6401 2.6734 2.6973 2.7658 2.8043 2.8097 2.8544 2.9068 2.9183 2.9671 2.9984 6.1066 6.1093 7.2121 7.2241 7.4684 7.4854 7.5741 7.5817 7.8373 7.8406 7.9953 8.0042 8.1362 8.1465 k = 0.3143 0.5000 0.3143 ( 9202 PWs) bands (ev): -36.4604 -36.4604 -36.4602 -36.4602 -36.4599 -36.4599 -17.7539 -17.7537 -17.7504 -17.7469 -17.7445 -17.7438 -17.3992 -17.3991 -17.3898 -17.3891 -17.3874 -17.3843 -17.3563 -17.3558 -17.3382 -17.3349 -17.3342 -17.3320 -7.7461 -7.7453 -7.5722 -7.5715 -7.5382 -7.5379 -7.5233 -7.5216 -2.4661 -2.4657 -2.4646 -2.4612 -2.1479 -2.1458 -2.1127 -2.1106 -2.1100 -2.1077 -0.2042 -0.2026 1.2080 1.2109 1.2309 1.2330 1.2963 1.3021 2.3737 2.4217 2.5167 2.5484 2.5778 2.6217 2.6568 2.6907 2.7513 2.7954 2.8059 2.8488 2.9001 2.9132 2.9708 3.0005 6.1574 6.1603 7.1560 7.1681 7.4459 7.4629 7.5371 7.5456 7.7980 7.8009 7.9866 7.9935 8.1374 8.1471 k = 0.3000 0.5000 0.3000 ( 9226 PWs) bands (ev): -36.4605 -36.4605 -36.4602 -36.4602 -36.4599 -36.4599 -17.7543 -17.7539 -17.7502 -17.7468 -17.7445 -17.7435 -17.3993 -17.3992 -17.3900 -17.3893 -17.3872 -17.3840 -17.3559 -17.3552 -17.3387 -17.3351 -17.3345 -17.3321 -7.7498 -7.7489 -7.5758 -7.5750 -7.5351 -7.5350 -7.5198 -7.5180 -2.4667 -2.4661 -2.4648 -2.4612 -2.1485 -2.1460 -2.1133 -2.1108 -2.1103 -2.1078 -0.1956 -0.1937 1.2298 1.2329 1.2552 1.2570 1.3219 1.3285 2.3388 2.3870 2.4884 2.5179 2.5604 2.6029 2.6388 2.6836 2.7367 2.7873 2.8025 2.8434 2.8936 2.9078 2.9746 3.0027 6.2089 6.2118 7.1005 7.1127 7.4235 7.4402 7.4941 7.5034 7.7589 7.7616 7.9823 7.9875 8.1397 8.1495 k = 0.2857 0.5000 0.2857 ( 9190 PWs) bands (ev): -36.4605 -36.4605 -36.4602 -36.4602 -36.4599 -36.4599 -17.7546 -17.7540 -17.7499 -17.7466 -17.7444 -17.7431 -17.3995 -17.3992 -17.3901 -17.3895 -17.3869 -17.3837 -17.3554 -17.3545 -17.3392 -17.3353 -17.3348 -17.3322 -7.7539 -7.7528 -7.5794 -7.5786 -7.5317 -7.5317 -7.5161 -7.5144 -2.4672 -2.4664 -2.4649 -2.4611 -2.1490 -2.1461 -2.1138 -2.1110 -2.1105 -2.1077 -0.1871 -0.1850 1.2526 1.2559 1.2806 1.2820 1.3485 1.3558 2.3037 2.3516 2.4589 2.4867 2.5438 2.5837 2.6197 2.6752 2.7228 2.7801 2.7996 2.8380 2.8873 2.9023 2.9785 3.0049 6.2604 6.2632 7.0462 7.0585 7.4013 7.4176 7.4469 7.4568 7.7205 7.7229 7.9814 7.9850 8.1343 8.1431 k = 0.2714 0.5000 0.2714 ( 9200 PWs) bands (ev): -36.4605 -36.4605 -36.4602 -36.4602 -36.4598 -36.4598 -17.7551 -17.7542 -17.7497 -17.7465 -17.7444 -17.7427 -17.3997 -17.3993 -17.3903 -17.3897 -17.3867 -17.3834 -17.3549 -17.3539 -17.3397 -17.3356 -17.3351 -17.3323 -7.7583 -7.7571 -7.5832 -7.5823 -7.5280 -7.5279 -7.5124 -7.5106 -2.4678 -2.4668 -2.4651 -2.4611 -2.1496 -2.1463 -2.1144 -2.1112 -2.1109 -2.1077 -0.1789 -0.1764 1.2763 1.2801 1.3069 1.3078 1.3760 1.3837 2.2691 2.3164 2.4286 2.4550 2.5277 2.5641 2.5994 2.6640 2.7111 2.7740 2.7973 2.8329 2.8812 2.8968 2.9825 3.0072 6.3114 6.3138 6.9938 7.0063 7.3795 7.3947 7.3968 7.4075 7.6827 7.6847 7.9826 7.9849 8.1025 8.1084 k = 0.2571 0.5000 0.2571 ( 9210 PWs) bands (ev): -36.4606 -36.4606 -36.4602 -36.4602 -36.4598 -36.4598 -17.7554 -17.7544 -17.7494 -17.7464 -17.7444 -17.7424 -17.4000 -17.3995 -17.3904 -17.3899 -17.3863 -17.3831 -17.3544 -17.3532 -17.3403 -17.3358 -17.3355 -17.3325 -7.7629 -7.7616 -7.5870 -7.5861 -7.5240 -7.5238 -7.5087 -7.5068 -2.4684 -2.4672 -2.4651 -2.4610 -2.1502 -2.1465 -2.1150 -2.1113 -2.1112 -2.1077 -0.1711 -0.1683 1.3006 1.3053 1.3342 1.3343 1.4039 1.4120 2.2355 2.2821 2.3977 2.4232 2.5115 2.5441 2.5781 2.6488 2.7025 2.7689 2.7959 2.8280 2.8754 2.8913 2.9865 3.0097 6.3613 6.3629 6.9438 6.9567 7.3445 7.3541 7.3588 7.3747 7.6458 7.6473 7.9848 7.9862 8.0602 8.0676 k = 0.2429 0.5000 0.2429 ( 9194 PWs) bands (ev): -36.4606 -36.4606 -36.4602 -36.4602 -36.4597 -36.4597 -17.7558 -17.7545 -17.7490 -17.7462 -17.7444 -17.7421 -17.4002 -17.3996 -17.3905 -17.3901 -17.3860 -17.3828 -17.3539 -17.3525 -17.3408 -17.3360 -17.3358 -17.3327 -7.7677 -7.7664 -7.5908 -7.5899 -7.5198 -7.5194 -7.5049 -7.5030 -2.4689 -2.4676 -2.4652 -2.4609 -2.1507 -2.1466 -2.1155 -2.1115 -2.1115 -2.1077 -0.1636 -0.1606 1.3255 1.3314 1.3610 1.3623 1.4323 1.4405 2.2033 2.2492 2.3667 2.3916 2.4948 2.5237 2.5557 2.6297 2.6968 2.7647 2.7955 2.8234 2.8697 2.8861 2.9907 3.0122 6.4093 6.4098 6.8970 6.9104 7.2921 7.3019 7.3384 7.3535 7.6098 7.6107 7.9862 7.9874 8.0139 8.0236 k = 0.2286 0.5000 0.2286 ( 9190 PWs) bands (ev): -36.4606 -36.4606 -36.4602 -36.4602 -36.4597 -36.4597 -17.7562 -17.7548 -17.7487 -17.7460 -17.7444 -17.7418 -17.4005 -17.3998 -17.3906 -17.3902 -17.3856 -17.3825 -17.3534 -17.3518 -17.3412 -17.3362 -17.3361 -17.3329 -7.7726 -7.7713 -7.5947 -7.5937 -7.5154 -7.5149 -7.5011 -7.4993 -2.4694 -2.4680 -2.4651 -2.4609 -2.1511 -2.1467 -2.1160 -2.1118 -2.1116 -2.1077 -0.1567 -0.1534 1.3504 1.3584 1.3877 1.3910 1.4611 1.4692 2.1729 2.2183 2.3360 2.3605 2.4774 2.5027 2.5323 2.6075 2.6932 2.7615 2.7962 2.8192 2.8643 2.8812 2.9949 3.0150 6.4537 6.4548 6.8539 6.8678 7.2397 7.2494 7.3191 7.3335 7.5750 7.5750 7.9592 7.9662 7.9938 7.9976 k = 0.2143 0.5000 0.2143 ( 9178 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4597 -36.4597 -17.7565 -17.7550 -17.7484 -17.7457 -17.7445 -17.7414 -17.4008 -17.4000 -17.3907 -17.3904 -17.3851 -17.3821 -17.3529 -17.3511 -17.3417 -17.3365 -17.3364 -17.3331 -7.7776 -7.7763 -7.5985 -7.5975 -7.5108 -7.5102 -7.4973 -7.4955 -2.4699 -2.4684 -2.4651 -2.4608 -2.1516 -2.1468 -2.1165 -2.1121 -2.1117 -2.1077 -0.1503 -0.1468 1.3751 1.3859 1.4140 1.4202 1.4902 1.4981 2.1448 2.1897 2.3057 2.3301 2.4589 2.4812 2.5080 2.5828 2.6910 2.7590 2.7980 2.8156 2.8593 2.8769 2.9992 3.0180 6.4937 6.4968 6.8152 6.8299 7.1881 7.1975 7.3007 7.3145 7.5404 7.5416 7.9061 7.9166 7.9962 7.9986 k = 0.2000 0.5000 0.2000 ( 9170 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4596 -36.4596 -17.7568 -17.7552 -17.7481 -17.7455 -17.7445 -17.7412 -17.4012 -17.4003 -17.3908 -17.3905 -17.3847 -17.3819 -17.3524 -17.3504 -17.3421 -17.3368 -17.3366 -17.3333 -7.7826 -7.7813 -7.6022 -7.6012 -7.5061 -7.5055 -7.4936 -7.4919 -2.4704 -2.4688 -2.4649 -2.4607 -2.1519 -2.1469 -2.1169 -2.1125 -2.1117 -2.1077 -0.1445 -0.1408 1.3991 1.4135 1.4398 1.4499 1.5198 1.5274 2.1193 2.1639 2.2763 2.3008 2.4390 2.4590 2.4827 2.5559 2.6897 2.7572 2.8009 2.8125 2.8548 2.8733 3.0037 3.0212 6.5287 6.5342 6.7816 6.7972 7.1379 7.1470 7.2828 7.2963 7.5072 7.5101 7.8511 7.8632 7.9995 8.0017 k = 0.1857 0.5000 0.1857 ( 9178 PWs) bands (ev): -36.4607 -36.4607 -36.4602 -36.4602 -36.4596 -36.4596 -17.7571 -17.7554 -17.7479 -17.7452 -17.7446 -17.7410 -17.4015 -17.4006 -17.3908 -17.3906 -17.3843 -17.3816 -17.3520 -17.3497 -17.3425 -17.3371 -17.3369 -17.3336 -7.7876 -7.7862 -7.6059 -7.6049 -7.5014 -7.5009 -7.4899 -7.4883 -2.4708 -2.4692 -2.4648 -2.4607 -2.1522 -2.1470 -2.1173 -2.1129 -2.1118 -2.1077 -0.1393 -0.1355 1.4215 1.4400 1.4655 1.4800 1.5500 1.5572 2.0965 2.1409 2.2481 2.2727 2.4177 2.4362 2.4565 2.5271 2.6892 2.7558 2.8047 2.8099 2.8508 2.8707 3.0085 3.0247 6.5576 6.5658 6.7540 6.7706 7.0896 7.0983 7.2647 7.2783 7.4760 7.4810 7.7961 7.8092 8.0029 8.0052 k = 0.1714 0.5000 0.1714 ( 9160 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4596 -36.4596 -17.7574 -17.7557 -17.7476 -17.7449 -17.7446 -17.7408 -17.4018 -17.4008 -17.3909 -17.3907 -17.3838 -17.3813 -17.3515 -17.3490 -17.3429 -17.3374 -17.3370 -17.3339 -7.7924 -7.7911 -7.6094 -7.6084 -7.4968 -7.4962 -7.4864 -7.4849 -2.4712 -2.4695 -2.4646 -2.4606 -2.1525 -2.1472 -2.1176 -2.1132 -2.1118 -2.1078 -0.1348 -0.1309 1.4419 1.4633 1.4926 1.5107 1.5811 1.5878 2.0766 2.1210 2.2212 2.2461 2.3945 2.4128 2.4298 2.4965 2.6893 2.7545 2.8078 2.8090 2.8477 2.8690 3.0135 3.0284 6.5793 6.5900 6.7341 6.7511 7.0435 7.0517 7.2453 7.2592 7.4477 7.4556 7.7427 7.7563 8.0064 8.0086 k = 0.1571 0.5000 0.1571 ( 9176 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4595 -36.4595 -17.7576 -17.7559 -17.7474 -17.7447 -17.7446 -17.7406 -17.4021 -17.4011 -17.3909 -17.3908 -17.3834 -17.3811 -17.3511 -17.3485 -17.3431 -17.3377 -17.3373 -17.3342 -7.7971 -7.7958 -7.6127 -7.6118 -7.4923 -7.4918 -7.4830 -7.4816 -2.4716 -2.4699 -2.4644 -2.4606 -2.1527 -2.1473 -2.1179 -2.1136 -2.1118 -2.1078 -0.1309 -0.1270 1.4596 1.4819 1.5221 1.5421 1.6131 1.6193 2.0596 2.1042 2.1959 2.2212 2.3691 2.3886 2.4027 2.4643 2.6902 2.7533 2.8063 2.8132 2.8458 2.8685 3.0187 3.0325 6.5935 6.6051 6.7230 6.7390 7.0000 7.0077 7.2226 7.2371 7.4241 7.4351 7.6922 7.7058 8.0099 8.0120 k = 0.1429 0.5000 0.1429 ( 9162 PWs) bands (ev): -36.4608 -36.4608 -36.4602 -36.4602 -36.4595 -36.4595 -17.7578 -17.7562 -17.7472 -17.7448 -17.7443 -17.7405 -17.4024 -17.4014 -17.3910 -17.3908 -17.3829 -17.3808 -17.3507 -17.3479 -17.3433 -17.3379 -17.3374 -17.3345 -7.8015 -7.8003 -7.6159 -7.6150 -7.4880 -7.4875 -7.4798 -7.4785 -2.4719 -2.4703 -2.4642 -2.4605 -2.1528 -2.1475 -2.1181 -2.1139 -2.1117 -2.1079 -0.1276 -0.1237 1.4744 1.4959 1.5538 1.5742 1.6461 1.6517 2.0454 2.0903 2.1725 2.1981 2.3414 2.3639 2.3756 2.4306 2.6916 2.7519 2.8054 2.8167 2.8456 2.8689 3.0242 3.0368 6.6010 6.6116 6.7205 6.7336 6.9594 6.9666 7.1952 7.2098 7.4070 7.4206 7.6460 7.6591 8.0133 8.0153 k = 0.1286 0.5000 0.1286 ( 9166 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4595 -36.4595 -17.7580 -17.7565 -17.7470 -17.7449 -17.7439 -17.7404 -17.4027 -17.4017 -17.3910 -17.3909 -17.3825 -17.3806 -17.3504 -17.3475 -17.3434 -17.3381 -17.3376 -17.3349 -7.8056 -7.8045 -7.6188 -7.6180 -7.4840 -7.4835 -7.4767 -7.4756 -2.4722 -2.4707 -2.4639 -2.4605 -2.1528 -2.1478 -2.1182 -2.1143 -2.1117 -2.1080 -0.1248 -0.1211 1.4862 1.5060 1.5870 1.6069 1.6800 1.6847 2.0338 2.0792 2.1513 2.1770 2.3114 2.3385 2.3486 2.3955 2.6936 2.7502 2.8051 2.8189 2.8474 2.8701 3.0299 3.0413 6.6047 6.6129 6.7232 6.7324 6.9220 6.9286 7.1621 7.1760 7.3970 7.4124 7.6050 7.6171 8.0166 8.0184 k = 0.1143 0.5000 0.1143 ( 9160 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4595 -36.4595 -17.7582 -17.7567 -17.7468 -17.7450 -17.7435 -17.7403 -17.4030 -17.4020 -17.3910 -17.3909 -17.3821 -17.3804 -17.3500 -17.3472 -17.3432 -17.3383 -17.3378 -17.3352 -7.8094 -7.8084 -7.6215 -7.6207 -7.4802 -7.4799 -7.4739 -7.4729 -2.4724 -2.4710 -2.4636 -2.4605 -2.1528 -2.1480 -2.1183 -2.1146 -2.1116 -2.1081 -0.1225 -0.1190 1.4953 1.5130 1.6211 1.6401 1.7146 1.7182 2.0245 2.0702 2.1326 2.1581 2.2794 2.3126 2.3217 2.3594 2.6961 2.7480 2.8055 2.8198 2.8508 2.8718 3.0358 3.0459 6.6076 6.6133 6.7276 6.7331 6.8880 6.8940 7.1234 7.1359 7.3936 7.4097 7.5699 7.5806 8.0197 8.0213 k = 0.1000 0.5000 0.1000 ( 9156 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7583 -17.7570 -17.7466 -17.7451 -17.7432 -17.7402 -17.4032 -17.4023 -17.3911 -17.3910 -17.3817 -17.3802 -17.3497 -17.3471 -17.3430 -17.3385 -17.3379 -17.3356 -7.8129 -7.8120 -7.6239 -7.6232 -7.4768 -7.4766 -7.4712 -7.4705 -2.4727 -2.4713 -2.4633 -2.4605 -2.1528 -2.1483 -2.1183 -2.1149 -2.1114 -2.1082 -0.1207 -0.1174 1.5020 1.5174 1.6558 1.6734 1.7497 1.7518 2.0170 2.0630 2.1169 2.1414 2.2457 2.2863 2.2947 2.3224 2.6989 2.7454 2.8066 2.8201 2.8553 2.8738 3.0418 3.0506 6.6120 6.6157 6.7314 6.7339 6.8577 6.8630 7.0805 7.0911 7.3950 7.4108 7.5408 7.5501 8.0226 8.0239 k = 0.0857 0.5000 0.0857 ( 9152 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7584 -17.7572 -17.7465 -17.7452 -17.7428 -17.7402 -17.4033 -17.4026 -17.3911 -17.3910 -17.3813 -17.3801 -17.3494 -17.3471 -17.3425 -17.3387 -17.3381 -17.3360 -7.8160 -7.8151 -7.6260 -7.6254 -7.4738 -7.4737 -7.4688 -7.4683 -2.4728 -2.4716 -2.4630 -2.4606 -2.1526 -2.1486 -2.1183 -2.1153 -2.1112 -2.1084 -0.1192 -0.1163 1.5068 1.5199 1.6906 1.7062 1.7851 1.7852 2.0112 2.0568 2.1048 2.1271 2.2107 2.2597 2.2679 2.2850 2.7019 2.7423 2.8082 2.8200 2.8600 2.8758 3.0476 3.0552 6.6194 6.6215 6.7340 6.7342 6.8310 6.8357 7.0348 7.0434 7.3991 7.4137 7.5179 7.5257 8.0252 8.0263 k = 0.0714 0.5000 0.0714 ( 9172 PWs) bands (ev): -36.4609 -36.4609 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7574 -17.7464 -17.7453 -17.7425 -17.7403 -17.4035 -17.4028 -17.3911 -17.3911 -17.3810 -17.3800 -17.3491 -17.3472 -17.3421 -17.3388 -17.3382 -17.3365 -7.8186 -7.8179 -7.6278 -7.6273 -7.4713 -7.4713 -7.4667 -7.4663 -2.4730 -2.4720 -2.4627 -2.4607 -2.1525 -2.1490 -2.1182 -2.1156 -2.1111 -2.1086 -0.1180 -0.1155 1.5101 1.5208 1.7248 1.7380 1.8181 1.8205 2.0066 2.0510 2.0966 2.1153 2.1751 2.2326 2.2412 2.2481 2.7051 2.7391 2.8101 2.8200 2.8646 2.8776 3.0531 3.0594 6.6305 6.6313 6.7340 6.7354 6.8083 6.8123 6.9878 6.9945 7.4038 7.4165 7.5010 7.5077 8.0274 8.0283 k = 0.0571 0.5000 0.0571 ( 9160 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7576 -17.7462 -17.7454 -17.7422 -17.7404 -17.4036 -17.4030 -17.3911 -17.3911 -17.3807 -17.3799 -17.3489 -17.3473 -17.3415 -17.3389 -17.3383 -17.3369 -7.8208 -7.8202 -7.6293 -7.6289 -7.4693 -7.4693 -7.4649 -7.4647 -2.4730 -2.4722 -2.4624 -2.4608 -2.1522 -2.1493 -2.1180 -2.1159 -2.1108 -2.1088 -0.1171 -0.1151 1.5123 1.5208 1.7576 1.7678 1.8502 1.8556 2.0031 2.0456 2.0921 2.1061 2.1396 2.2026 2.2151 2.2153 2.7083 2.7356 2.8122 2.8199 2.8687 2.8790 3.0581 3.0632 6.6451 6.6455 6.7336 6.7363 6.7897 6.7929 6.9410 6.9459 7.4075 7.4176 7.4902 7.4959 8.0294 8.0301 k = 0.0429 0.5000 0.0429 ( 9164 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4594 -17.7585 -17.7578 -17.7461 -17.7455 -17.7418 -17.7405 -17.4037 -17.4032 -17.3911 -17.3911 -17.3805 -17.3799 -17.3487 -17.3475 -17.3409 -17.3389 -17.3384 -17.3374 -7.8225 -7.8220 -7.6305 -7.6302 -7.4678 -7.4677 -7.4634 -7.4633 -2.4731 -2.4724 -2.4622 -2.4609 -2.1519 -2.1497 -2.1178 -2.1163 -2.1106 -2.1090 -0.1164 -0.1148 1.5139 1.5202 1.7874 1.7942 1.8812 1.8894 2.0002 2.0413 2.0881 2.0996 2.1079 2.1683 2.1893 2.1908 2.7116 2.7321 2.8142 2.8199 2.8723 2.8799 3.0624 3.0662 6.6623 6.6640 6.7338 6.7375 6.7752 6.7776 6.8959 6.8992 7.4093 7.4166 7.4848 7.4895 8.0309 8.0314 k = 0.0286 0.5000 0.0286 ( 9140 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4594 -36.4593 -17.7584 -17.7580 -17.7460 -17.7455 -17.7415 -17.7406 -17.4037 -17.4034 -17.3911 -17.3911 -17.3802 -17.3798 -17.3484 -17.3477 -17.3403 -17.3390 -17.3385 -17.3378 -7.8237 -7.8234 -7.6313 -7.6311 -7.4667 -7.4666 -7.4623 -7.4623 -2.4730 -2.4726 -2.4619 -2.4610 -2.1516 -2.1501 -2.1176 -2.1166 -2.1103 -2.1093 -0.1159 -0.1148 1.5151 1.5193 1.8118 1.8155 1.9110 1.9203 1.9980 2.0378 2.0673 2.0950 2.0996 2.1353 2.1681 2.1691 2.7149 2.7286 2.8160 2.8197 2.8752 2.8802 3.0658 3.0683 6.6812 6.6840 6.7363 6.7409 6.7649 6.7665 6.8540 6.8557 7.4096 7.4143 7.4832 7.4867 8.0321 8.0324 k = 0.0143 0.5000 0.0143 ( 9138 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7583 -17.7581 -17.7458 -17.7456 -17.7413 -17.7408 -17.4036 -17.4035 -17.3911 -17.3911 -17.3801 -17.3799 -17.3483 -17.3479 -17.3398 -17.3391 -17.3385 -17.3382 -7.8244 -7.8242 -7.6318 -7.6317 -7.4660 -7.4660 -7.4616 -7.4616 -2.4730 -2.4727 -2.4616 -2.4612 -2.1513 -2.1505 -2.1174 -2.1168 -2.1100 -2.1095 -0.1155 -0.1149 1.5161 1.5182 1.8282 1.8296 1.9379 1.9444 1.9968 2.0237 2.0559 2.0859 2.1031 2.1130 2.1525 2.1527 2.7183 2.7251 2.8175 2.8193 2.8775 2.8800 3.0682 3.0694 6.6970 6.6996 6.7452 6.7493 6.7588 6.7597 6.8177 6.8180 7.4096 7.4119 7.4836 7.4855 8.0328 8.0330 k = 0.0000 0.5000-0.0000 ( 9122 PWs) bands (ev): -36.4610 -36.4610 -36.4602 -36.4602 -36.4593 -36.4593 -17.7582 -17.7582 -17.7457 -17.7457 -17.7410 -17.7410 -17.4035 -17.4035 -17.3911 -17.3911 -17.3800 -17.3800 -17.3481 -17.3481 -17.3394 -17.3394 -17.3384 -17.3384 -7.8246 -7.8246 -7.6319 -7.6319 -7.4658 -7.4658 -7.4614 -7.4614 -2.4728 -2.4728 -2.4614 -2.4614 -2.1509 -2.1509 -2.1171 -2.1171 -2.1098 -2.1098 -0.1151 -0.1151 1.5171 1.5171 1.8343 1.8343 1.9530 1.9530 2.0031 2.0031 2.0674 2.0674 2.1071 2.1071 2.1461 2.1461 2.7216 2.7216 2.8186 2.8186 2.8790 2.8790 3.0694 3.0694 6.7039 6.7039 6.7568 6.7568 6.7574 6.7574 6.7981 6.7981 7.4102 7.4102 7.4846 7.4846 8.0331 8.0331 k = 0.5000 0.5000-0.0000 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7505 -17.7505 -17.7426 -17.7426 -17.3963 -17.3963 -17.3927 -17.3927 -17.3859 -17.3859 -17.3492 -17.3492 -17.3446 -17.3446 -17.3322 -17.3322 -7.7397 -7.7397 -7.5534 -7.5534 -7.5525 -7.5525 -7.5380 -7.5380 -2.4687 -2.4687 -2.4641 -2.4641 -2.1500 -2.1500 -2.1148 -2.1148 -2.1090 -2.1090 -0.1277 -0.1277 1.2564 1.2564 1.5107 1.5107 1.5918 1.5918 2.1842 2.1842 2.2096 2.2096 2.2429 2.2429 2.5939 2.5939 2.8133 2.8133 2.8510 2.8510 2.8804 2.8804 2.9376 2.9376 6.7159 6.7159 7.0282 7.0282 7.2881 7.2881 7.2925 7.2925 7.7387 7.7387 7.9980 7.9980 8.0045 8.0045 k = 0.5000 0.5000 0.0200 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7504 -17.7504 -17.7426 -17.7426 -17.3963 -17.3963 -17.3927 -17.3927 -17.3859 -17.3859 -17.3493 -17.3493 -17.3445 -17.3445 -17.3322 -17.3322 -7.7396 -7.7396 -7.5534 -7.5534 -7.5524 -7.5524 -7.5380 -7.5380 -2.4686 -2.4686 -2.4641 -2.4641 -2.1500 -2.1500 -2.1147 -2.1147 -2.1089 -2.1089 -0.1284 -0.1284 1.2556 1.2556 1.5076 1.5076 1.5881 1.5881 2.1868 2.1868 2.2134 2.2134 2.2458 2.2458 2.5948 2.5948 2.8134 2.8134 2.8511 2.8511 2.8806 2.8806 2.9376 2.9376 6.7071 6.7071 7.0353 7.0353 7.2893 7.2893 7.2939 7.2939 7.7400 7.7400 7.9981 7.9981 8.0048 8.0048 k = 0.5000 0.5000 0.0400 ( 9204 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7504 -17.7504 -17.7426 -17.7426 -17.3964 -17.3964 -17.3926 -17.3926 -17.3859 -17.3859 -17.3497 -17.3497 -17.3441 -17.3441 -17.3322 -17.3322 -7.7395 -7.7395 -7.5533 -7.5533 -7.5524 -7.5524 -7.5381 -7.5381 -2.4686 -2.4686 -2.4640 -2.4640 -2.1499 -2.1499 -2.1147 -2.1147 -2.1089 -2.1089 -0.1304 -0.1304 1.2531 1.2531 1.4986 1.4986 1.5775 1.5775 2.1942 2.1942 2.2243 2.2243 2.2547 2.2547 2.5975 2.5975 2.8134 2.8134 2.8515 2.8515 2.8810 2.8810 2.9376 2.9376 6.6827 6.6827 7.0545 7.0545 7.2929 7.2929 7.2979 7.2979 7.7439 7.7439 7.9985 7.9985 8.0057 8.0057 k = 0.5000 0.5000 0.0600 ( 9196 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7504 -17.7504 -17.7427 -17.7427 -17.3965 -17.3965 -17.3924 -17.3924 -17.3859 -17.3859 -17.3502 -17.3502 -17.3435 -17.3435 -17.3321 -17.3321 -7.7393 -7.7393 -7.5532 -7.5532 -7.5523 -7.5523 -7.5383 -7.5383 -2.4685 -2.4685 -2.4640 -2.4640 -2.1498 -2.1498 -2.1145 -2.1145 -2.1089 -2.1089 -0.1336 -0.1336 1.2490 1.2490 1.4841 1.4841 1.5608 1.5608 2.2058 2.2058 2.2413 2.2413 2.2697 2.2697 2.6018 2.6018 2.8134 2.8134 2.8521 2.8521 2.8817 2.8817 2.9375 2.9375 6.6469 6.6469 7.0817 7.0817 7.2989 7.2989 7.3047 7.3047 7.7504 7.7504 7.9994 7.9994 8.0072 8.0072 k = 0.5000 0.5000 0.0800 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7504 -17.7504 -17.7427 -17.7427 -17.3967 -17.3967 -17.3922 -17.3922 -17.3859 -17.3859 -17.3508 -17.3508 -17.3430 -17.3430 -17.3321 -17.3321 -7.7390 -7.7390 -7.5531 -7.5531 -7.5521 -7.5521 -7.5386 -7.5386 -2.4683 -2.4683 -2.4639 -2.4639 -2.1496 -2.1496 -2.1144 -2.1144 -2.1089 -2.1089 -0.1380 -0.1380 1.2435 1.2435 1.4652 1.4652 1.5392 1.5392 2.2206 2.2206 2.2633 2.2633 2.2907 2.2907 2.6077 2.6077 2.8134 2.8134 2.8529 2.8529 2.8827 2.8827 2.9375 2.9375 6.6035 6.6035 7.1135 7.1135 7.3073 7.3073 7.3139 7.3139 7.7594 7.7594 8.0006 8.0006 8.0093 8.0093 k = 0.5000 0.5000 0.1000 ( 9200 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7503 -17.7503 -17.7428 -17.7428 -17.3969 -17.3969 -17.3920 -17.3920 -17.3859 -17.3859 -17.3515 -17.3515 -17.3423 -17.3423 -17.3321 -17.3321 -7.7387 -7.7387 -7.5530 -7.5530 -7.5520 -7.5520 -7.5389 -7.5389 -2.4681 -2.4681 -2.4638 -2.4638 -2.1494 -2.1494 -2.1142 -2.1142 -2.1088 -2.1088 -0.1435 -0.1435 1.2365 1.2365 1.4427 1.4427 1.5139 1.5139 2.2380 2.2380 2.2889 2.2889 2.3171 2.3171 2.6150 2.6150 2.8135 2.8135 2.8540 2.8540 2.8841 2.8841 2.9375 2.9375 6.5551 6.5551 7.1476 7.1476 7.3179 7.3179 7.3255 7.3255 7.7710 7.7710 8.0025 8.0025 8.0122 8.0122 k = 0.5000 0.5000 0.1200 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7503 -17.7503 -17.7429 -17.7429 -17.3971 -17.3971 -17.3917 -17.3917 -17.3860 -17.3860 -17.3522 -17.3522 -17.3416 -17.3416 -17.3321 -17.3321 -7.7382 -7.7382 -7.5528 -7.5528 -7.5517 -7.5517 -7.5393 -7.5393 -2.4679 -2.4679 -2.4637 -2.4637 -2.1491 -2.1491 -2.1140 -2.1140 -2.1088 -2.1088 -0.1500 -0.1500 1.2284 1.2284 1.4176 1.4176 1.4860 1.4860 2.2576 2.2576 2.3174 2.3174 2.3476 2.3476 2.6235 2.6235 2.8136 2.8136 2.8554 2.8554 2.8857 2.8857 2.9377 2.9377 6.5032 6.5032 7.1828 7.1828 7.3308 7.3308 7.3394 7.3394 7.7849 7.7849 8.0051 8.0051 8.0157 8.0157 k = 0.5000 0.5000 0.1400 ( 9224 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7503 -17.7503 -17.7431 -17.7431 -17.3973 -17.3973 -17.3914 -17.3914 -17.3860 -17.3860 -17.3529 -17.3529 -17.3410 -17.3410 -17.3321 -17.3321 -7.7377 -7.7377 -7.5526 -7.5526 -7.5515 -7.5515 -7.5397 -7.5397 -2.4676 -2.4676 -2.4637 -2.4637 -2.1488 -2.1488 -2.1137 -2.1137 -2.1087 -2.1087 -0.1573 -0.1573 1.2191 1.2191 1.3908 1.3908 1.4566 1.4566 2.2791 2.2791 2.3480 2.3480 2.3812 2.3812 2.6329 2.6329 2.8138 2.8138 2.8569 2.8569 2.8877 2.8877 2.9380 2.9380 6.4490 6.4490 7.2184 7.2184 7.3457 7.3457 7.3553 7.3553 7.8011 7.8011 8.0084 8.0084 8.0201 8.0201 k = 0.5000 0.5000 0.1600 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7502 -17.7502 -17.7432 -17.7432 -17.3975 -17.3975 -17.3911 -17.3911 -17.3860 -17.3860 -17.3535 -17.3535 -17.3403 -17.3403 -17.3321 -17.3321 -7.7372 -7.7372 -7.5523 -7.5523 -7.5512 -7.5512 -7.5402 -7.5402 -2.4673 -2.4673 -2.4635 -2.4635 -2.1485 -2.1485 -2.1134 -2.1134 -2.1087 -2.1087 -0.1653 -0.1653 1.2090 1.2090 1.3628 1.3628 1.4263 1.4263 2.3025 2.3025 2.3801 2.3801 2.4165 2.4165 2.6429 2.6429 2.8141 2.8141 2.8586 2.8586 2.8901 2.8901 2.9385 2.9385 6.3933 6.3933 7.2539 7.2539 7.3625 7.3625 7.3731 7.3731 7.8195 7.8195 8.0128 8.0128 8.0254 8.0254 k = 0.5000 0.5000 0.1800 ( 9200 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7501 -17.7501 -17.7434 -17.7434 -17.3977 -17.3977 -17.3908 -17.3908 -17.3861 -17.3861 -17.3541 -17.3541 -17.3396 -17.3396 -17.3320 -17.3320 -7.7366 -7.7366 -7.5520 -7.5520 -7.5510 -7.5510 -7.5407 -7.5407 -2.4669 -2.4669 -2.4634 -2.4634 -2.1481 -2.1481 -2.1130 -2.1130 -2.1086 -2.1086 -0.1739 -0.1739 1.1982 1.1982 1.3345 1.3345 1.3958 1.3958 2.3274 2.3274 2.4129 2.4129 2.4528 2.4528 2.6534 2.6534 2.8146 2.8146 2.8604 2.8604 2.8928 2.8928 2.9393 2.9393 6.3368 6.3368 7.2893 7.2893 7.3810 7.3810 7.3926 7.3926 7.8399 7.8399 8.0182 8.0182 8.0318 8.0318 k = 0.5000 0.5000 0.2000 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7500 -17.7500 -17.7436 -17.7436 -17.3979 -17.3979 -17.3905 -17.3905 -17.3861 -17.3861 -17.3548 -17.3548 -17.3390 -17.3390 -17.3320 -17.3320 -7.7359 -7.7359 -7.5518 -7.5518 -7.5507 -7.5507 -7.5412 -7.5412 -2.4666 -2.4666 -2.4633 -2.4633 -2.1477 -2.1477 -2.1127 -2.1127 -2.1085 -2.1085 -0.1830 -0.1830 1.1868 1.1868 1.3062 1.3062 1.3657 1.3657 2.3535 2.3535 2.4460 2.4460 2.4892 2.4892 2.6641 2.6641 2.8152 2.8152 2.8624 2.8624 2.8960 2.8960 2.9406 2.9406 6.2802 6.2802 7.3242 7.3242 7.4009 7.4009 7.4134 7.4134 7.8622 7.8622 8.0247 8.0247 8.0392 8.0392 k = 0.5000 0.5000 0.2200 ( 9200 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7528 -17.7528 -17.7499 -17.7499 -17.7438 -17.7438 -17.3981 -17.3981 -17.3902 -17.3902 -17.3862 -17.3862 -17.3554 -17.3554 -17.3383 -17.3383 -17.3320 -17.3320 -7.7353 -7.7353 -7.5515 -7.5515 -7.5503 -7.5503 -7.5418 -7.5418 -2.4662 -2.4662 -2.4631 -2.4631 -2.1473 -2.1473 -2.1123 -2.1123 -2.1085 -2.1085 -0.1922 -0.1922 1.1751 1.1751 1.2783 1.2783 1.3364 1.3364 2.3806 2.3806 2.4789 2.4789 2.5251 2.5251 2.6747 2.6747 2.8161 2.8161 2.8644 2.8644 2.8995 2.8995 2.9422 2.9422 6.2238 6.2238 7.3585 7.3585 7.4219 7.4219 7.4353 7.4353 7.8862 7.8862 8.0325 8.0325 8.0477 8.0477 k = 0.5000 0.5000 0.2400 ( 9200 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7529 -17.7529 -17.7498 -17.7498 -17.7440 -17.7440 -17.3983 -17.3983 -17.3899 -17.3899 -17.3863 -17.3863 -17.3560 -17.3560 -17.3377 -17.3377 -17.3320 -17.3320 -7.7346 -7.7346 -7.5512 -7.5512 -7.5500 -7.5500 -7.5424 -7.5424 -2.4659 -2.4659 -2.4630 -2.4630 -2.1469 -2.1469 -2.1119 -2.1119 -2.1084 -2.1084 -0.2015 -0.2015 1.1632 1.1632 1.2513 1.2513 1.3081 1.3081 2.4081 2.4081 2.5110 2.5110 2.5599 2.5599 2.6850 2.6850 2.8174 2.8174 2.8665 2.8665 2.9036 2.9036 2.9443 2.9443 6.1683 6.1683 7.3921 7.3921 7.4438 7.4438 7.4579 7.4579 7.9116 7.9116 8.0416 8.0416 8.0574 8.0574 k = 0.5000 0.5000 0.2600 ( 9192 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7529 -17.7529 -17.7497 -17.7497 -17.7442 -17.7442 -17.3984 -17.3984 -17.3896 -17.3896 -17.3863 -17.3863 -17.3565 -17.3565 -17.3371 -17.3371 -17.3320 -17.3320 -7.7339 -7.7339 -7.5509 -7.5509 -7.5497 -7.5497 -7.5430 -7.5430 -2.4654 -2.4654 -2.4628 -2.4628 -2.1464 -2.1464 -2.1115 -2.1115 -2.1083 -2.1083 -0.2108 -0.2108 1.1514 1.1514 1.2254 1.2254 1.2813 1.2813 2.4355 2.4355 2.5422 2.5422 2.5931 2.5931 2.6948 2.6948 2.8191 2.8191 2.8686 2.8686 2.9080 2.9080 2.9469 2.9469 6.1141 6.1141 7.4247 7.4247 7.4662 7.4662 7.4808 7.4808 7.9382 7.9382 8.0520 8.0520 8.0683 8.0683 k = 0.5000 0.5000 0.2800 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7529 -17.7529 -17.7496 -17.7496 -17.7444 -17.7444 -17.3986 -17.3986 -17.3894 -17.3894 -17.3864 -17.3864 -17.3570 -17.3570 -17.3366 -17.3366 -17.3320 -17.3320 -7.7332 -7.7332 -7.5506 -7.5506 -7.5494 -7.5494 -7.5436 -7.5436 -2.4651 -2.4651 -2.4627 -2.4627 -2.1460 -2.1460 -2.1111 -2.1111 -2.1083 -2.1083 -0.2199 -0.2199 1.1397 1.1397 1.2008 1.2008 1.2561 1.2561 2.4625 2.4625 2.5720 2.5720 2.6241 2.6241 2.7040 2.7040 2.8213 2.8213 2.8707 2.8707 2.9129 2.9129 2.9499 2.9499 6.0618 6.0618 7.4562 7.4562 7.4887 7.4887 7.5037 7.5037 7.9656 7.9656 8.0637 8.0637 8.0803 8.0803 k = 0.5000 0.5000 0.3000 ( 9216 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7529 -17.7529 -17.7494 -17.7494 -17.7447 -17.7447 -17.3987 -17.3987 -17.3891 -17.3891 -17.3865 -17.3865 -17.3575 -17.3575 -17.3361 -17.3361 -17.3320 -17.3320 -7.7325 -7.7325 -7.5503 -7.5503 -7.5491 -7.5491 -7.5442 -7.5442 -2.4647 -2.4647 -2.4626 -2.4626 -2.1456 -2.1456 -2.1107 -2.1107 -2.1082 -2.1082 -0.2287 -0.2287 1.1282 1.1282 1.1778 1.1778 1.2328 1.2328 2.4886 2.4886 2.6002 2.6002 2.6524 2.6524 2.7126 2.7126 2.8244 2.8244 2.8729 2.8729 2.9182 2.9182 2.9533 2.9533 6.0119 6.0119 7.4862 7.4862 7.5111 7.5111 7.5261 7.5261 7.9935 7.9935 8.0764 8.0764 8.0932 8.0932 k = 0.5000 0.5000 0.3200 ( 9208 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7529 -17.7529 -17.7492 -17.7492 -17.7449 -17.7449 -17.3989 -17.3989 -17.3888 -17.3888 -17.3865 -17.3865 -17.3580 -17.3580 -17.3356 -17.3356 -17.3320 -17.3320 -7.7318 -7.7318 -7.5500 -7.5500 -7.5488 -7.5488 -7.5448 -7.5448 -2.4643 -2.4643 -2.4625 -2.4625 -2.1452 -2.1452 -2.1103 -2.1103 -2.1081 -2.1081 -0.2369 -0.2369 1.1173 1.1173 1.1565 1.1565 1.2115 1.2115 2.5131 2.5131 2.6267 2.6267 2.6773 2.6773 2.7205 2.7205 2.8283 2.8283 2.8752 2.8752 2.9238 2.9238 2.9569 2.9569 5.9648 5.9648 7.5145 7.5145 7.5330 7.5330 7.5477 7.5477 8.0214 8.0214 8.0902 8.0902 8.1068 8.1068 k = 0.5000 0.5000 0.3400 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7530 -17.7530 -17.7491 -17.7491 -17.7452 -17.7452 -17.3990 -17.3990 -17.3886 -17.3886 -17.3866 -17.3866 -17.3584 -17.3584 -17.3351 -17.3351 -17.3320 -17.3320 -7.7312 -7.7312 -7.5497 -7.5497 -7.5485 -7.5485 -7.5453 -7.5453 -2.4640 -2.4640 -2.4623 -2.4623 -2.1449 -2.1449 -2.1100 -2.1100 -2.1081 -2.1081 -0.2447 -0.2447 1.1068 1.1068 1.1371 1.1371 1.1923 1.1923 2.5357 2.5357 2.6512 2.6512 2.6984 2.6984 2.7278 2.7278 2.8333 2.8333 2.8777 2.8777 2.9296 2.9296 2.9606 2.9606 5.9210 5.9210 7.5406 7.5406 7.5540 7.5540 7.5680 7.5680 8.0490 8.0490 8.1046 8.1046 8.1208 8.1208 k = 0.5000 0.5000 0.3600 ( 9212 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7530 -17.7530 -17.7489 -17.7489 -17.7454 -17.7454 -17.3991 -17.3991 -17.3884 -17.3884 -17.3867 -17.3867 -17.3587 -17.3587 -17.3347 -17.3347 -17.3320 -17.3320 -7.7306 -7.7306 -7.5495 -7.5495 -7.5483 -7.5483 -7.5458 -7.5458 -2.4637 -2.4637 -2.4622 -2.4622 -2.1445 -2.1445 -2.1097 -2.1097 -2.1080 -2.1080 -0.2517 -0.2517 1.0971 1.0971 1.1197 1.1197 1.1754 1.1754 2.5559 2.5559 2.6734 2.6734 2.7152 2.7152 2.7348 2.7348 2.8393 2.8393 2.8804 2.8804 2.9355 2.9355 2.9642 2.9642 5.8810 5.8810 7.5642 7.5642 7.5739 7.5739 7.5866 7.5866 8.0755 8.0755 8.1192 8.1192 8.1347 8.1347 k = 0.5000 0.5000 0.3800 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7530 -17.7530 -17.7487 -17.7487 -17.7457 -17.7457 -17.3992 -17.3992 -17.3882 -17.3882 -17.3868 -17.3868 -17.3591 -17.3591 -17.3343 -17.3343 -17.3321 -17.3321 -7.7301 -7.7301 -7.5492 -7.5492 -7.5481 -7.5481 -7.5462 -7.5462 -2.4634 -2.4634 -2.4622 -2.4622 -2.1442 -2.1442 -2.1094 -2.1094 -2.1080 -2.1080 -0.2580 -0.2580 1.0882 1.0882 1.1044 1.1044 1.1608 1.1608 2.5736 2.5736 2.6931 2.6931 2.7273 2.7273 2.7418 2.7418 2.8463 2.8463 2.8833 2.8833 2.9414 2.9414 2.9674 2.9674 5.8452 5.8452 7.5849 7.5849 7.5923 7.5923 7.6033 7.6033 8.1003 8.1003 8.1336 8.1336 8.1481 8.1481 k = 0.5000 0.5000 0.4000 ( 9220 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7530 -17.7530 -17.7485 -17.7485 -17.7460 -17.7460 -17.3993 -17.3993 -17.3880 -17.3880 -17.3868 -17.3868 -17.3593 -17.3593 -17.3340 -17.3340 -17.3321 -17.3321 -7.7296 -7.7296 -7.5490 -7.5490 -7.5480 -7.5480 -7.5465 -7.5465 -2.4631 -2.4631 -2.4621 -2.4621 -2.1439 -2.1439 -2.1091 -2.1091 -2.1080 -2.1080 -0.2635 -0.2635 1.0803 1.0803 1.0913 1.0913 1.1486 1.1486 2.5886 2.5886 2.7100 2.7100 2.7353 2.7353 2.7489 2.7489 2.8537 2.8537 2.8861 2.8861 2.9472 2.9472 2.9701 2.9701 5.8141 5.8141 7.6025 7.6025 7.6088 7.6088 7.6176 7.6176 8.1227 8.1227 8.1473 8.1473 8.1602 8.1602 k = 0.5000 0.5000 0.4200 ( 9232 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7483 -17.7483 -17.7462 -17.7462 -17.3993 -17.3993 -17.3878 -17.3878 -17.3869 -17.3869 -17.3596 -17.3596 -17.3337 -17.3337 -17.3322 -17.3322 -7.7292 -7.7292 -7.5489 -7.5489 -7.5480 -7.5480 -7.5467 -7.5467 -2.4628 -2.4628 -2.4621 -2.4621 -2.1437 -2.1437 -2.1089 -2.1089 -2.1080 -2.1080 -0.2680 -0.2680 1.0736 1.0736 1.0805 1.0805 1.1387 1.1387 2.6007 2.6007 2.7236 2.7236 2.7404 2.7404 2.7554 2.7554 2.8613 2.8613 2.8886 2.8886 2.9528 2.9528 2.9720 2.9720 5.7880 5.7880 7.6171 7.6171 7.6231 7.6231 7.6295 7.6295 8.1416 8.1416 8.1599 8.1599 8.1707 8.1707 k = 0.5000 0.5000 0.4400 ( 9224 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7480 -17.7480 -17.7465 -17.7465 -17.3994 -17.3994 -17.3877 -17.3877 -17.3870 -17.3870 -17.3597 -17.3597 -17.3334 -17.3334 -17.3323 -17.3323 -7.7289 -7.7289 -7.5487 -7.5487 -7.5481 -7.5481 -7.5468 -7.5468 -2.4626 -2.4626 -2.4621 -2.4621 -2.1435 -2.1435 -2.1086 -2.1086 -2.1080 -2.1080 -0.2716 -0.2716 1.0681 1.0681 1.0721 1.0721 1.1311 1.1311 2.6100 2.6100 2.7339 2.7339 2.7438 2.7438 2.7607 2.7607 2.8685 2.8685 2.8901 2.8901 2.9580 2.9580 2.9731 2.9731 5.7674 5.7674 7.6287 7.6287 7.6346 7.6346 7.6386 7.6386 8.1561 8.1561 8.1713 8.1713 8.1790 8.1790 k = 0.5000 0.5000 0.4600 ( 9224 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7478 -17.7478 -17.7468 -17.7468 -17.3994 -17.3994 -17.3875 -17.3875 -17.3871 -17.3871 -17.3599 -17.3599 -17.3331 -17.3331 -17.3324 -17.3324 -7.7287 -7.7287 -7.5486 -7.5486 -7.5482 -7.5482 -7.5468 -7.5468 -2.4624 -2.4624 -2.4621 -2.4621 -2.1434 -2.1434 -2.1085 -2.1085 -2.1080 -2.1080 -0.2742 -0.2742 1.0641 1.0641 1.0660 1.0660 1.1256 1.1256 2.6166 2.6166 2.7409 2.7409 2.7461 2.7461 2.7646 2.7646 2.8753 2.8753 2.8903 2.8903 2.9627 2.9627 2.9731 2.9731 5.7524 5.7524 7.6373 7.6373 7.6429 7.6429 7.6450 7.6450 8.1658 8.1658 8.1809 8.1809 8.1849 8.1849 k = 0.5000 0.5000 0.4800 ( 9232 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7531 -17.7531 -17.7475 -17.7475 -17.7470 -17.7470 -17.3994 -17.3994 -17.3874 -17.3874 -17.3872 -17.3872 -17.3599 -17.3599 -17.3329 -17.3329 -17.3326 -17.3326 -7.7285 -7.7285 -7.5485 -7.5485 -7.5483 -7.5483 -7.5468 -7.5468 -2.4623 -2.4623 -2.4621 -2.4621 -2.1433 -2.1433 -2.1083 -2.1083 -2.1081 -2.1081 -0.2758 -0.2758 1.0617 1.0617 1.0623 1.0623 1.1224 1.1224 2.6205 2.6205 2.7451 2.7451 2.7471 2.7471 2.7672 2.7672 2.8811 2.8811 2.8888 2.8888 2.9668 2.9668 2.9721 2.9721 5.7434 5.7434 7.6427 7.6427 7.6479 7.6479 7.6486 7.6486 8.1711 8.1711 8.1873 8.1873 8.1884 8.1884 k = 0.5000 0.5000 0.5000 ( 9328 PWs) bands (ev): -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -36.4602 -17.7532 -17.7532 -17.7474 -17.7474 -17.7474 -17.7474 -17.3995 -17.3995 -17.3874 -17.3874 -17.3874 -17.3874 -17.3601 -17.3601 -17.3328 -17.3328 -17.3328 -17.3328 -7.7285 -7.7285 -7.5484 -7.5484 -7.5484 -7.5484 -7.5468 -7.5468 -2.4623 -2.4623 -2.4623 -2.4623 -2.1434 -2.1434 -2.1083 -2.1083 -2.1083 -2.1083 -0.2763 -0.2763 1.0610 1.0610 1.0610 1.0610 1.1214 1.1214 2.6218 2.6218 2.7469 2.7469 2.7469 2.7469 2.7680 2.7680 2.8857 2.8857 2.8857 2.8857 2.9699 2.9699 2.9699 2.9699 5.7403 5.7403 7.6445 7.6445 7.6496 7.6496 7.6496 7.6496 8.1728 8.1728 8.1895 8.1895 8.1895 8.1895 Writing output data file Ca3ZnSe4.save init_run : 2.92s CPU 13.76s WALL ( 1 calls) electrons : 2549.54s CPU 2568.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 2549.50s CPU 2567.72s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.91s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.06s CPU 0.51s WALL ( 1 calls) newd : 0.61s CPU 0.74s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.35s WALL ( 194 calls) cegterg : 2481.50s CPU 2497.09s WALL ( 1051 calls) Called by sum_band: Called by *egterg: h_psi : 943.15s CPU 957.31s WALL ( 21114 calls) s_psi : 77.39s CPU 77.53s WALL ( 21114 calls) g_psi : 2.52s CPU 2.48s WALL ( 19869 calls) cdiaghg : 1051.28s CPU 1048.05s WALL ( 20063 calls) cegterg:over : 188.52s CPU 183.10s WALL ( 19869 calls) cegterg:upda : 82.18s CPU 87.11s WALL ( 19869 calls) cegterg:last : 53.36s CPU 54.11s WALL ( 2265 calls) Called by h_psi: h_psi:vloc : 778.37s CPU 788.88s WALL ( 21114 calls) h_psi:vnl : 162.32s CPU 164.54s WALL ( 21114 calls) add_vuspsi : 61.18s CPU 68.69s WALL ( 21114 calls) General routines calbec : 101.04s CPU 95.69s WALL ( 21114 calls) fft : 0.25s CPU 1.10s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 738.33s CPU 746.63s WALL ( 2023100 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.52s WALL ( 388 calls) Parallel routines fft_scatter : 442.68s CPU 446.55s WALL ( 2023123 calls) PWSCF : 43m53.00s CPU 46m12.68s WALL This run was terminated on: 4:33:22 29Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=