Program PWSCF v.5.1.1 starts on 29Nov2015 at 18: 4:51 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: ./CdxCNx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 150 41 11 9596 1375 208 Max 151 42 13 9599 1403 214 Sum 7201 1993 569 460663 66635 10131 bravais-lattice index = 14 lattice parameter (alat) = 11.9072 a.u. unit-cell volume = 1688.2041 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.907163 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 Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 197 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0050761 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0050761 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0050761 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0050761 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0050761 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0050761 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0050761 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0050761 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0050761 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0050761 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0050761 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0050761 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0050761 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0050761 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0050761 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0050761 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0050761 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0050761 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0050761 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0050761 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0050761 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0050761 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0050761 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0050761 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0050761 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0050761 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0050761 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0050761 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0050761 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0050761 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0050761 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0050761 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0050761 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0050761 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0050761 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0050761 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0050761 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0050761 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0050761 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0050761 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0050761 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0050761 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0050761 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0050761 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0050761 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0050761 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0050761 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0050761 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 54) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0050761 k( 55) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0050761 k( 56) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0050761 k( 57) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0050761 k( 58) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0050761 k( 59) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0050761 k( 60) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0050761 k( 61) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0050761 k( 62) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0050761 k( 63) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0050761 k( 64) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0050761 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0050761 k( 66) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0050761 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050761 k( 68) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0050761 k( 69) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0050761 k( 70) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0050761 k( 71) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0050761 k( 72) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0050761 k( 73) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0050761 k( 74) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0050761 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0050761 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0050761 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0050761 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050761 k( 79) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0050761 k( 80) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0050761 k( 81) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0050761 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0050761 k( 83) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0050761 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0050761 k( 85) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0050761 k( 86) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0050761 k( 87) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0050761 k( 88) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0050761 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 91) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050761 k( 92) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050761 k( 93) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050761 k( 94) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0050761 k( 95) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050761 k( 96) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050761 k( 97) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0050761 k( 98) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050761 k( 99) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050761 k( 100) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050761 k( 101) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050761 k( 102) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050761 k( 103) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050761 k( 104) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050761 k( 105) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0050761 k( 106) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050761 k( 107) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050761 k( 108) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050761 k( 109) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050761 k( 110) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050761 k( 111) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050761 k( 112) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 113) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050761 k( 114) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050761 k( 115) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050761 k( 116) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050761 k( 117) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050761 k( 118) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050761 k( 119) = ( 0.3295455 0.3295454 0.3295454), wk = 0.0050761 k( 120) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050761 k( 121) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050761 k( 122) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050761 k( 123) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050761 k( 124) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050761 k( 125) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050761 k( 126) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050761 k( 127) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050761 k( 128) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050761 k( 129) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050761 k( 130) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0050761 k( 131) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050761 k( 132) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050761 k( 133) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050761 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 136) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050761 k( 137) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050761 k( 138) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050761 k( 139) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050761 k( 140) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050761 k( 141) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050761 k( 142) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050761 k( 143) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050761 k( 144) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050761 k( 145) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050761 k( 146) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050761 k( 147) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050761 k( 148) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050761 k( 149) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050761 k( 150) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050761 k( 151) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050761 k( 152) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050761 k( 153) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050761 k( 154) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050761 k( 155) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050761 k( 156) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050761 k( 157) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050761 k( 158) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050761 k( 159) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050761 k( 160) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050761 k( 161) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050761 k( 162) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050761 k( 163) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050761 k( 164) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050761 k( 165) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050761 k( 166) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050761 k( 167) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050761 k( 168) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050761 k( 169) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050761 k( 170) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050761 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 172) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 173) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0050761 k( 174) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0050761 k( 175) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0050761 k( 176) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0050761 k( 177) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0050761 k( 178) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0050761 k( 179) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0050761 k( 180) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0050761 k( 181) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0050761 k( 182) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0050761 k( 183) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0050761 k( 184) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0050761 k( 185) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0050761 k( 186) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0050761 k( 187) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0050761 k( 188) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0050761 k( 189) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0050761 k( 190) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0050761 k( 191) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0050761 k( 192) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0050761 k( 193) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0050761 k( 194) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0050761 k( 195) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0050761 k( 196) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0050761 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0050761 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0050761 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0050761 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0050761 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0050761 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0050761 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0050761 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0050761 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0050761 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0050761 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0050761 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0050761 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0050761 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0050761 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0050761 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0050761 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0050761 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0050761 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0050761 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0050761 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0050761 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0050761 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0050761 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0050761 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0050761 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0050761 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0050761 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0050761 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0050761 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0050761 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0050761 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0050761 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0050761 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0050761 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0050761 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0050761 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0050761 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0050761 k( 42) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0050761 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0050761 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0050761 k( 45) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0050761 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0050761 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0050761 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0050761 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0050761 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0050761 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0050761 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 54) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0050761 k( 55) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0050761 k( 56) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0050761 k( 57) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0050761 k( 58) = ( 0.4305556 0.4305556 0.0000000), wk = 0.0050761 k( 59) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0050761 k( 60) = ( 0.4027778 0.4027778 0.0000000), wk = 0.0050761 k( 61) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0050761 k( 62) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0050761 k( 63) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0050761 k( 64) = ( 0.3472222 0.3472222 0.0000000), wk = 0.0050761 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0050761 k( 66) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0050761 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050761 k( 68) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0050761 k( 69) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0050761 k( 70) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0050761 k( 71) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0050761 k( 72) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0050761 k( 73) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0050761 k( 74) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0050761 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0050761 k( 76) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0050761 k( 77) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0050761 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050761 k( 79) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0050761 k( 80) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0050761 k( 81) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0050761 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0050761 k( 83) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0050761 k( 84) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0050761 k( 85) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0050761 k( 86) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0050761 k( 87) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0050761 k( 88) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0050761 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 91) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050761 k( 92) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050761 k( 93) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050761 k( 94) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0050761 k( 95) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050761 k( 96) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050761 k( 97) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0050761 k( 98) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050761 k( 99) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050761 k( 100) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050761 k( 101) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050761 k( 102) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050761 k( 103) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050761 k( 104) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050761 k( 105) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0050761 k( 106) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050761 k( 107) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050761 k( 108) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050761 k( 109) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050761 k( 110) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050761 k( 111) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050761 k( 112) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 113) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050761 k( 114) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050761 k( 115) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050761 k( 116) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050761 k( 117) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050761 k( 118) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050761 k( 119) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0050761 k( 120) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050761 k( 121) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050761 k( 122) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050761 k( 123) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050761 k( 124) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050761 k( 125) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050761 k( 126) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050761 k( 127) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050761 k( 128) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050761 k( 129) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050761 k( 130) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0050761 k( 131) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050761 k( 132) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050761 k( 133) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050761 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 136) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050761 k( 137) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050761 k( 138) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050761 k( 139) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050761 k( 140) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050761 k( 141) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050761 k( 142) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050761 k( 143) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050761 k( 144) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050761 k( 145) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050761 k( 146) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050761 k( 147) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050761 k( 148) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050761 k( 149) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050761 k( 150) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050761 k( 151) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050761 k( 152) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050761 k( 153) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050761 k( 154) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050761 k( 155) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050761 k( 156) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050761 k( 157) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050761 k( 158) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050761 k( 159) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050761 k( 160) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050761 k( 161) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050761 k( 162) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050761 k( 163) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050761 k( 164) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050761 k( 165) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050761 k( 166) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050761 k( 167) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050761 k( 168) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050761 k( 169) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050761 k( 170) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050761 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 172) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 173) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0050761 k( 174) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0050761 k( 175) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0050761 k( 176) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0050761 k( 177) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0050761 k( 178) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0050761 k( 179) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0050761 k( 180) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0050761 k( 181) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0050761 k( 182) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0050761 k( 183) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0050761 k( 184) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0050761 k( 185) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0050761 k( 186) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0050761 k( 187) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0050761 k( 188) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0050761 k( 189) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0050761 k( 190) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0050761 k( 191) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0050761 k( 192) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0050761 k( 193) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0050761 k( 194) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0050761 k( 195) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0050761 k( 196) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0050761 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 Dense grid: 460663 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 66635 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 356, 72) NL pseudopotentials 0.49 Mb ( 178, 180) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.07 Mb ( 9598) G-vector shells 0.01 Mb ( 1579) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.56 Mb ( 356, 288) Each subspace H/S matrix 1.27 Mb ( 288, 288) Each matrix 0.40 Mb ( 180, 2, 72) The potential is recalculated from file : ./CdxCNx2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.5 secs Computing kpt #: 2 total cpu time spent up to now is 46.6 secs Computing kpt #: 3 total cpu time spent up to now is 50.7 secs Computing kpt #: 4 total cpu time spent up to now is 54.9 secs Computing kpt #: 5 total cpu time spent up to now is 59.0 secs Computing kpt #: 6 total cpu time spent up to now is 63.1 secs Computing kpt #: 7 total cpu time spent up to now is 67.3 secs Computing kpt #: 8 total cpu time spent up to now is 71.5 secs Computing kpt #: 9 total cpu time spent up to now is 75.6 secs Computing kpt #: 10 total cpu time spent up to now is 79.8 secs Computing kpt #: 11 total cpu time spent up to now is 84.1 secs Computing kpt #: 12 total cpu time spent up to now is 89.8 secs Computing kpt #: 13 total cpu time spent up to now is 95.2 secs Computing kpt #: 14 total cpu time spent up to now is 99.4 secs Computing kpt #: 15 total cpu time spent up to now is 103.7 secs Computing kpt #: 16 total cpu time spent up to now is 108.0 secs Computing kpt #: 17 total cpu time spent up to now is 112.2 secs Computing kpt #: 18 total cpu time spent up to now is 116.5 secs Computing kpt #: 19 total cpu time spent up to now is 120.7 secs Computing kpt #: 20 total cpu time spent up to now is 125.0 secs Computing kpt #: 21 total cpu time spent up to now is 129.5 secs Computing kpt #: 22 total cpu time spent up to now is 133.6 secs Computing kpt #: 23 total cpu time spent up to now is 138.1 secs Computing kpt #: 24 total cpu time spent up to now is 142.3 secs Computing kpt #: 25 total cpu time spent up to now is 146.7 secs Computing kpt #: 26 total cpu time spent up to now is 151.0 secs Computing kpt #: 27 total cpu time spent up to now is 155.3 secs Computing kpt #: 28 total cpu time spent up to now is 159.7 secs Computing kpt #: 29 total cpu time spent up to now is 164.0 secs Computing kpt #: 30 total cpu time spent up to now is 168.3 secs Computing kpt #: 31 total cpu time spent up to now is 172.9 secs Computing kpt #: 32 total cpu time spent up to now is 177.4 secs Computing kpt #: 33 total cpu time spent up to now is 181.9 secs Computing kpt #: 34 total cpu time spent up to now is 187.1 secs Computing kpt #: 35 total cpu time spent up to now is 191.6 secs Computing kpt #: 36 total cpu time spent up to now is 196.3 secs Computing kpt #: 37 total cpu time spent up to now is 200.9 secs Computing kpt #: 38 total cpu time spent up to now is 205.6 secs Computing kpt #: 39 total cpu time spent up to now is 210.7 secs Computing kpt #: 40 total cpu time spent up to now is 216.0 secs Computing kpt #: 41 total cpu time spent up to now is 221.2 secs Computing kpt #: 42 total cpu time spent up to now is 226.6 secs Computing kpt #: 43 total cpu time spent up to now is 232.0 secs Computing kpt #: 44 total cpu time spent up to now is 237.2 secs Computing kpt #: 45 total cpu time spent up to now is 242.5 secs Computing kpt #: 46 total cpu time spent up to now is 248.0 secs Computing kpt #: 47 total cpu time spent up to now is 253.3 secs Computing kpt #: 48 total cpu time spent up to now is 258.7 secs Computing kpt #: 49 total cpu time spent up to now is 264.5 secs Computing kpt #: 50 total cpu time spent up to now is 270.2 secs Computing kpt #: 51 total cpu time spent up to now is 275.1 secs Computing kpt #: 52 total cpu time spent up to now is 280.6 secs Computing kpt #: 53 total cpu time spent up to now is 286.7 secs Computing kpt #: 54 total cpu time spent up to now is 292.4 secs Computing kpt #: 55 total cpu time spent up to now is 297.3 secs Computing kpt #: 56 total cpu time spent up to now is 302.0 secs Computing kpt #: 57 total cpu time spent up to now is 307.7 secs Computing kpt #: 58 total cpu time spent up to now is 313.0 secs Computing kpt #: 59 total cpu time spent up to now is 318.6 secs Computing kpt #: 60 total cpu time spent up to now is 324.4 secs Computing kpt #: 61 total cpu time spent up to now is 330.2 secs Computing kpt #: 62 total cpu time spent up to now is 335.9 secs Computing kpt #: 63 total cpu time spent up to now is 340.7 secs Computing kpt #: 64 total cpu time spent up to now is 345.9 secs Computing kpt #: 65 total cpu time spent up to now is 350.6 secs Computing kpt #: 66 total cpu time spent up to now is 355.2 secs Computing kpt #: 67 total cpu time spent up to now is 359.8 secs Computing kpt #: 68 total cpu time spent up to now is 364.4 secs Computing kpt #: 69 total cpu time spent up to now is 368.9 secs Computing kpt #: 70 total cpu time spent up to now is 373.2 secs Computing kpt #: 71 total cpu time spent up to now is 377.6 secs Computing kpt #: 72 total cpu time spent up to now is 382.0 secs Computing kpt #: 73 total cpu time spent up to now is 386.9 secs Computing kpt #: 74 total cpu time spent up to now is 393.4 secs Computing kpt #: 75 total cpu time spent up to now is 397.8 secs Computing kpt #: 76 total cpu time spent up to now is 402.1 secs Computing kpt #: 77 total cpu time spent up to now is 406.4 secs Computing kpt #: 78 total cpu time spent up to now is 410.7 secs Computing kpt #: 79 total cpu time spent up to now is 414.9 secs Computing kpt #: 80 total cpu time spent up to now is 419.2 secs Computing kpt #: 81 total cpu time spent up to now is 423.6 secs Computing kpt #: 82 total cpu time spent up to now is 427.8 secs Computing kpt #: 83 total cpu time spent up to now is 432.1 secs Computing kpt #: 84 total cpu time spent up to now is 436.3 secs Computing kpt #: 85 total cpu time spent up to now is 440.5 secs Computing kpt #: 86 total cpu time spent up to now is 444.7 secs Computing kpt #: 87 total cpu time spent up to now is 448.8 secs Computing kpt #: 88 total cpu time spent up to now is 452.9 secs Computing kpt #: 89 total cpu time spent up to now is 457.0 secs Computing kpt #: 90 total cpu time spent up to now is 461.7 secs Computing kpt #: 91 total cpu time spent up to now is 465.8 secs Computing kpt #: 92 total cpu time spent up to now is 470.0 secs Computing kpt #: 93 total cpu time spent up to now is 474.2 secs Computing kpt #: 94 total cpu time spent up to now is 478.4 secs Computing kpt #: 95 total cpu time spent up to now is 482.8 secs Computing kpt #: 96 total cpu time spent up to now is 486.9 secs Computing kpt #: 97 total cpu time spent up to now is 491.1 secs Computing kpt #: 98 total cpu time spent up to now is 495.3 secs Computing kpt #: 99 total cpu time spent up to now is 499.5 secs Computing kpt #: 100 total cpu time spent up to now is 503.7 secs Computing kpt #: 101 total cpu time spent up to now is 508.0 secs Computing kpt #: 102 total cpu time spent up to now is 512.6 secs Computing kpt #: 103 total cpu time spent up to now is 516.9 secs Computing kpt #: 104 total cpu time spent up to now is 521.2 secs Computing kpt #: 105 total cpu time spent up to now is 525.5 secs Computing kpt #: 106 total cpu time spent up to now is 529.7 secs Computing kpt #: 107 total cpu time spent up to now is 534.0 secs Computing kpt #: 108 total cpu time spent up to now is 538.5 secs Computing kpt #: 109 total cpu time spent up to now is 542.8 secs Computing kpt #: 110 total cpu time spent up to now is 547.0 secs Computing kpt #: 111 total cpu time spent up to now is 551.3 secs Computing kpt #: 112 total cpu time spent up to now is 555.8 secs Computing kpt #: 113 total cpu time spent up to now is 560.0 secs Computing kpt #: 114 total cpu time spent up to now is 564.4 secs Computing kpt #: 115 total cpu time spent up to now is 568.7 secs Computing kpt #: 116 total cpu time spent up to now is 573.1 secs Computing kpt #: 117 total cpu time spent up to now is 577.4 secs Computing kpt #: 118 total cpu time spent up to now is 581.6 secs Computing kpt #: 119 total cpu time spent up to now is 586.0 secs Computing kpt #: 120 total cpu time spent up to now is 590.5 secs Computing kpt #: 121 total cpu time spent up to now is 594.9 secs Computing kpt #: 122 total cpu time spent up to now is 599.2 secs Computing kpt #: 123 total cpu time spent up to now is 603.6 secs Computing kpt #: 124 total cpu time spent up to now is 607.9 secs Computing kpt #: 125 total cpu time spent up to now is 612.2 secs Computing kpt #: 126 total cpu time spent up to now is 616.4 secs Computing kpt #: 127 total cpu time spent up to now is 620.7 secs Computing kpt #: 128 total cpu time spent up to now is 625.0 secs Computing kpt #: 129 total cpu time spent up to now is 629.3 secs Computing kpt #: 130 total cpu time spent up to now is 633.5 secs Computing kpt #: 131 total cpu time spent up to now is 637.7 secs Computing kpt #: 132 total cpu time spent up to now is 641.6 secs Computing kpt #: 133 total cpu time spent up to now is 645.5 secs Computing kpt #: 134 total cpu time spent up to now is 649.6 secs Computing kpt #: 135 total cpu time spent up to now is 653.8 secs Computing kpt #: 136 total cpu time spent up to now is 658.0 secs Computing kpt #: 137 total cpu time spent up to now is 662.4 secs Computing kpt #: 138 total cpu time spent up to now is 666.6 secs Computing kpt #: 139 total cpu time spent up to now is 670.5 secs Computing kpt #: 140 total cpu time spent up to now is 674.6 secs Computing kpt #: 141 total cpu time spent up to now is 679.1 secs Computing kpt #: 142 total cpu time spent up to now is 683.4 secs Computing kpt #: 143 total cpu time spent up to now is 688.9 secs Computing kpt #: 144 total cpu time spent up to now is 694.7 secs Computing kpt #: 145 total cpu time spent up to now is 699.0 secs Computing kpt #: 146 total cpu time spent up to now is 703.3 secs Computing kpt #: 147 total cpu time spent up to now is 707.7 secs Computing kpt #: 148 total cpu time spent up to now is 712.2 secs Computing kpt #: 149 total cpu time spent up to now is 716.7 secs Computing kpt #: 150 total cpu time spent up to now is 721.4 secs Computing kpt #: 151 total cpu time spent up to now is 726.1 secs Computing kpt #: 152 total cpu time spent up to now is 731.7 secs Computing kpt #: 153 total cpu time spent up to now is 737.4 secs Computing kpt #: 154 total cpu time spent up to now is 743.1 secs Computing kpt #: 155 total cpu time spent up to now is 748.7 secs Computing kpt #: 156 total cpu time spent up to now is 753.4 secs Computing kpt #: 157 total cpu time spent up to now is 758.2 secs Computing kpt #: 158 total cpu time spent up to now is 763.1 secs Computing kpt #: 159 total cpu time spent up to now is 767.8 secs Computing kpt #: 160 total cpu time spent up to now is 772.4 secs Computing kpt #: 161 total cpu time spent up to now is 777.2 secs Computing kpt #: 162 total cpu time spent up to now is 781.8 secs Computing kpt #: 163 total cpu time spent up to now is 786.4 secs Computing kpt #: 164 total cpu time spent up to now is 791.0 secs Computing kpt #: 165 total cpu time spent up to now is 795.6 secs Computing kpt #: 166 total cpu time spent up to now is 800.2 secs Computing kpt #: 167 total cpu time spent up to now is 804.6 secs Computing kpt #: 168 total cpu time spent up to now is 809.0 secs Computing kpt #: 169 total cpu time spent up to now is 813.6 secs Computing kpt #: 170 total cpu time spent up to now is 818.0 secs Computing kpt #: 171 total cpu time spent up to now is 822.3 secs Computing kpt #: 172 total cpu time spent up to now is 827.7 secs Computing kpt #: 173 total cpu time spent up to now is 832.4 secs Computing kpt #: 174 total cpu time spent up to now is 837.5 secs Computing kpt #: 175 total cpu time spent up to now is 845.1 secs Computing kpt #: 176 total cpu time spent up to now is 851.0 secs Computing kpt #: 177 total cpu time spent up to now is 857.6 secs Computing kpt #: 178 total cpu time spent up to now is 864.4 secs Computing kpt #: 179 total cpu time spent up to now is 870.1 secs Computing kpt #: 180 total cpu time spent up to now is 876.0 secs Computing kpt #: 181 total cpu time spent up to now is 882.4 secs Computing kpt #: 182 total cpu time spent up to now is 887.8 secs Computing kpt #: 183 total cpu time spent up to now is 892.4 secs Computing kpt #: 184 total cpu time spent up to now is 896.7 secs Computing kpt #: 185 total cpu time spent up to now is 901.2 secs Computing kpt #: 186 total cpu time spent up to now is 905.5 secs Computing kpt #: 187 total cpu time spent up to now is 909.8 secs Computing kpt #: 188 total cpu time spent up to now is 914.1 secs Computing kpt #: 189 total cpu time spent up to now is 918.4 secs Computing kpt #: 190 total cpu time spent up to now is 922.6 secs Computing kpt #: 191 total cpu time spent up to now is 927.0 secs Computing kpt #: 192 total cpu time spent up to now is 931.2 secs Computing kpt #: 193 total cpu time spent up to now is 935.4 secs Computing kpt #: 194 total cpu time spent up to now is 939.6 secs Computing kpt #: 195 total cpu time spent up to now is 943.8 secs Computing kpt #: 196 total cpu time spent up to now is 947.6 secs Computing kpt #: 197 total cpu time spent up to now is 951.8 secs ethr = 1.67E-11, avg # of iterations = 27.1 total cpu time spent up to now is 952.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -17.3204 -17.3204 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6659 -8.6659 -8.6659 -8.6659 -8.3692 -8.3692 -8.1877 -8.1877 -8.1877 -8.1877 -7.7412 -7.7412 -7.6970 -7.6970 -7.4077 -7.4077 -7.4077 -7.4077 -7.2421 -7.2421 -7.2421 -7.2421 -5.7999 -5.7999 -4.9637 -4.9637 -4.9637 -4.9637 -4.8892 -4.8892 -3.3131 -3.3131 -3.3131 -3.3131 -3.2288 -3.2288 -3.2217 -3.2217 -3.2217 -3.2217 -3.1328 -3.1328 -3.1328 -3.1328 -3.1286 -3.1286 -2.4013 -2.4013 -2.3620 -2.3620 -2.3620 -2.3620 3.9487 3.9487 3.9550 3.9550 3.9550 3.9550 4.3900 4.3900 4.7506 4.7506 4.7506 4.7506 k = 0.0000 0.0200-0.0000 ( 8337 PWs) bands (ev): -17.3203 -17.3203 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6658 -8.6658 -8.6657 -8.6657 -8.3697 -8.3697 -8.1884 -8.1884 -8.1868 -8.1868 -7.7466 -7.7466 -7.6901 -7.6901 -7.4076 -7.4076 -7.4075 -7.4075 -7.2420 -7.2420 -7.2419 -7.2419 -5.8037 -5.8037 -4.9634 -4.9634 -4.9611 -4.9611 -4.8880 -4.8880 -3.3142 -3.3142 -3.3129 -3.3129 -3.2294 -3.2294 -3.2224 -3.2224 -3.2221 -3.2221 -3.1336 -3.1336 -3.1325 -3.1325 -3.1287 -3.1287 -2.4003 -2.4003 -2.3616 -2.3616 -2.3604 -2.3604 3.9492 3.9492 3.9554 3.9554 3.9557 3.9557 4.3914 4.3914 4.7501 4.7501 4.7511 4.7511 k = 0.0000 0.0400-0.0000 ( 8337 PWs) bands (ev): -17.3202 -17.3202 -17.2646 -17.2646 -17.2632 -17.2632 -17.2631 -17.2631 -8.6654 -8.6654 -8.6653 -8.6653 -8.3711 -8.3711 -8.1914 -8.1914 -8.1850 -8.1850 -7.7583 -7.7583 -7.6746 -7.6746 -7.4073 -7.4073 -7.4068 -7.4068 -7.2424 -7.2424 -7.2418 -7.2418 -5.8148 -5.8148 -4.9626 -4.9626 -4.9539 -4.9539 -4.8840 -4.8840 -3.3176 -3.3176 -3.3127 -3.3127 -3.2314 -3.2314 -3.2246 -3.2246 -3.2230 -3.2230 -3.1357 -3.1357 -3.1333 -3.1333 -3.1287 -3.1287 -2.3978 -2.3978 -2.3603 -2.3603 -2.3562 -2.3562 3.9502 3.9502 3.9563 3.9563 3.9577 3.9577 4.3956 4.3956 4.7486 4.7486 4.7523 4.7523 k = 0.0000 0.0600-0.0000 ( 8325 PWs) bands (ev): -17.3199 -17.3199 -17.2647 -17.2647 -17.2633 -17.2633 -17.2631 -17.2631 -8.6648 -8.6648 -8.6645 -8.6645 -8.3734 -8.3734 -8.1962 -8.1962 -8.1821 -8.1821 -7.7711 -7.7711 -7.6554 -7.6554 -7.4068 -7.4068 -7.4055 -7.4055 -7.2430 -7.2430 -7.2416 -7.2416 -5.8327 -5.8327 -4.9613 -4.9613 -4.9437 -4.9437 -4.8762 -4.8762 -3.3230 -3.3230 -3.3123 -3.3123 -3.2352 -3.2352 -3.2284 -3.2284 -3.2241 -3.2241 -3.1386 -3.1386 -3.1354 -3.1354 -3.1278 -3.1278 -2.3943 -2.3943 -2.3575 -2.3575 -2.3494 -2.3494 3.9519 3.9519 3.9578 3.9578 3.9611 3.9611 4.4026 4.4026 4.7461 4.7461 4.7544 4.7544 k = 0.0000 0.0800-0.0000 ( 8325 PWs) bands (ev): -17.3196 -17.3196 -17.2649 -17.2649 -17.2635 -17.2635 -17.2631 -17.2631 -8.6640 -8.6640 -8.6634 -8.6634 -8.3765 -8.3765 -8.2027 -8.2027 -8.1781 -8.1781 -7.7837 -7.7837 -7.6343 -7.6343 -7.4061 -7.4061 -7.4039 -7.4039 -7.2438 -7.2438 -7.2413 -7.2413 -5.8567 -5.8567 -4.9596 -4.9596 -4.9330 -4.9330 -4.8629 -4.8629 -3.3306 -3.3306 -3.3117 -3.3117 -3.2410 -3.2410 -3.2338 -3.2338 -3.2252 -3.2252 -3.1422 -3.1422 -3.1386 -3.1386 -3.1262 -3.1262 -2.3909 -2.3909 -2.3526 -2.3526 -2.3401 -2.3401 3.9540 3.9540 3.9599 3.9599 3.9660 3.9660 4.4122 4.4122 4.7426 4.7426 4.7572 4.7572 k = 0.0000 0.1000-0.0000 ( 8325 PWs) bands (ev): -17.3191 -17.3191 -17.2652 -17.2652 -17.2636 -17.2636 -17.2631 -17.2631 -8.6629 -8.6629 -8.6621 -8.6621 -8.3802 -8.3802 -8.2108 -8.2108 -8.1731 -8.1731 -7.7958 -7.7958 -7.6116 -7.6116 -7.4052 -7.4052 -7.4018 -7.4018 -7.2449 -7.2449 -7.2409 -7.2409 -5.8858 -5.8858 -4.9573 -4.9573 -4.9240 -4.9240 -4.8428 -4.8428 -3.3400 -3.3400 -3.3110 -3.3110 -3.2489 -3.2489 -3.2410 -3.2410 -3.2263 -3.2263 -3.1460 -3.1460 -3.1422 -3.1422 -3.1243 -3.1243 -2.3883 -2.3883 -2.3448 -2.3448 -2.3287 -2.3287 3.9566 3.9566 3.9625 3.9625 3.9724 3.9724 4.4243 4.4243 4.7380 4.7380 4.7608 4.7608 k = 0.0000 0.1200-0.0000 ( 8325 PWs) bands (ev): -17.3185 -17.3185 -17.2656 -17.2656 -17.2637 -17.2637 -17.2631 -17.2631 -8.6616 -8.6616 -8.6604 -8.6604 -8.3845 -8.3845 -8.2202 -8.2202 -8.1674 -8.1674 -7.8073 -7.8073 -7.5879 -7.5879 -7.4042 -7.4042 -7.3993 -7.3993 -7.2462 -7.2462 -7.2401 -7.2401 -5.9191 -5.9191 -4.9546 -4.9546 -4.9171 -4.9171 -4.8165 -4.8165 -3.3513 -3.3513 -3.3102 -3.3102 -3.2587 -3.2587 -3.2499 -3.2499 -3.2275 -3.2275 -3.1498 -3.1498 -3.1460 -3.1460 -3.1220 -3.1220 -2.3872 -2.3872 -2.3341 -2.3341 -2.3155 -2.3155 3.9596 3.9596 3.9657 3.9657 3.9804 3.9804 4.4388 4.4388 4.7324 4.7324 4.7651 4.7651 k = 0.0000 0.1400-0.0000 ( 8333 PWs) bands (ev): -17.3179 -17.3179 -17.2662 -17.2662 -17.2638 -17.2638 -17.2631 -17.2631 -8.6601 -8.6601 -8.6585 -8.6585 -8.3892 -8.3892 -8.2307 -8.2307 -8.1609 -8.1609 -7.8182 -7.8182 -7.5633 -7.5633 -7.4030 -7.4030 -7.3964 -7.3964 -7.2478 -7.2478 -7.2390 -7.2390 -5.9559 -5.9559 -4.9515 -4.9515 -4.9116 -4.9116 -4.7854 -4.7854 -3.3643 -3.3643 -3.3092 -3.3092 -3.2702 -3.2702 -3.2606 -3.2606 -3.2288 -3.2288 -3.1534 -3.1534 -3.1496 -3.1496 -3.1195 -3.1195 -2.3871 -2.3871 -2.3210 -2.3210 -2.3008 -2.3008 3.9631 3.9631 3.9694 3.9694 3.9899 3.9899 4.4555 4.4555 4.7257 4.7257 4.7702 4.7702 k = 0.0000 0.1600-0.0000 ( 8341 PWs) bands (ev): -17.3171 -17.3171 -17.2669 -17.2669 -17.2638 -17.2638 -17.2631 -17.2631 -8.6585 -8.6585 -8.6564 -8.6564 -8.3942 -8.3942 -8.2421 -8.2421 -8.1538 -8.1538 -7.8287 -7.8287 -7.5383 -7.5383 -7.4016 -7.4016 -7.3929 -7.3929 -7.2495 -7.2495 -7.2372 -7.2372 -5.9954 -5.9954 -4.9481 -4.9481 -4.9071 -4.9071 -4.7508 -4.7508 -3.3787 -3.3787 -3.3082 -3.3082 -3.2831 -3.2831 -3.2727 -3.2727 -3.2303 -3.2303 -3.1566 -3.1566 -3.1531 -3.1531 -3.1169 -3.1169 -2.3880 -2.3880 -2.3060 -2.3060 -2.2851 -2.2851 3.9669 3.9669 3.9735 3.9735 4.0008 4.0008 4.4742 4.4742 4.7180 4.7180 4.7759 4.7759 k = 0.0000 0.1800-0.0000 ( 8329 PWs) bands (ev): -17.3163 -17.3163 -17.2677 -17.2677 -17.2638 -17.2638 -17.2631 -17.2631 -8.6566 -8.6566 -8.6539 -8.6539 -8.3994 -8.3994 -8.2542 -8.2542 -8.1461 -8.1461 -7.8388 -7.8388 -7.5132 -7.5132 -7.3999 -7.3999 -7.3888 -7.3888 -7.2514 -7.2514 -7.2347 -7.2347 -6.0371 -6.0371 -4.9443 -4.9443 -4.9030 -4.9030 -4.7140 -4.7140 -3.3945 -3.3945 -3.3073 -3.3073 -3.2969 -3.2969 -3.2861 -3.2861 -3.2318 -3.2318 -3.1594 -3.1594 -3.1561 -3.1561 -3.1142 -3.1142 -2.3894 -2.3894 -2.2898 -2.2898 -2.2686 -2.2686 3.9712 3.9712 3.9781 3.9781 4.0132 4.0132 4.4946 4.4946 4.7092 4.7092 4.7822 4.7822 k = 0.0000 0.2000-0.0000 ( 8345 PWs) bands (ev): -17.3154 -17.3154 -17.2686 -17.2686 -17.2639 -17.2639 -17.2631 -17.2631 -8.6545 -8.6545 -8.6513 -8.6513 -8.4047 -8.4047 -8.2668 -8.2668 -8.1381 -8.1381 -7.8487 -7.8487 -7.4887 -7.4887 -7.3982 -7.3982 -7.3840 -7.3840 -7.2536 -7.2536 -7.2310 -7.2310 -6.0805 -6.0805 -4.9403 -4.9403 -4.8991 -4.8991 -4.6756 -4.6756 -3.4115 -3.4115 -3.3135 -3.3135 -3.3045 -3.3045 -3.3003 -3.3003 -3.2335 -3.2335 -3.1619 -3.1619 -3.1589 -3.1589 -3.1115 -3.1115 -2.3914 -2.3914 -2.2727 -2.2727 -2.2516 -2.2516 3.9759 3.9759 3.9831 3.9831 4.0270 4.0270 4.5164 4.5164 4.6994 4.6994 4.7891 4.7891 k = 0.0000 0.2200-0.0000 ( 8333 PWs) bands (ev): -17.3144 -17.3144 -17.2695 -17.2695 -17.2639 -17.2639 -17.2631 -17.2631 -8.6522 -8.6522 -8.6484 -8.6484 -8.4099 -8.4099 -8.2797 -8.2797 -8.1296 -8.1296 -7.8583 -7.8583 -7.4655 -7.4655 -7.3963 -7.3963 -7.3783 -7.3783 -7.2560 -7.2560 -7.2255 -7.2255 -6.1252 -6.1252 -4.9360 -4.9360 -4.8954 -4.8954 -4.6363 -4.6363 -3.4297 -3.4297 -3.3285 -3.3285 -3.3155 -3.3155 -3.3031 -3.3031 -3.2353 -3.2353 -3.1641 -3.1641 -3.1613 -3.1613 -3.1087 -3.1087 -2.3937 -2.3937 -2.2552 -2.2552 -2.2344 -2.2344 3.9808 3.9808 3.9883 3.9883 4.0422 4.0422 4.5391 4.5391 4.6889 4.6889 4.7964 4.7964 k = 0.0000 0.2400-0.0000 ( 8325 PWs) bands (ev): -17.3133 -17.3133 -17.2706 -17.2706 -17.2639 -17.2639 -17.2631 -17.2631 -8.6498 -8.6498 -8.6454 -8.6454 -8.4150 -8.4150 -8.2928 -8.2928 -8.1208 -8.1208 -7.8678 -7.8678 -7.4446 -7.4446 -7.3943 -7.3943 -7.3715 -7.3715 -7.2585 -7.2585 -7.2178 -7.2178 -6.1708 -6.1708 -4.9316 -4.9316 -4.8918 -4.8918 -4.5966 -4.5966 -3.4487 -3.4487 -3.3441 -3.3441 -3.3307 -3.3307 -3.3016 -3.3016 -3.2373 -3.2373 -3.1660 -3.1660 -3.1634 -3.1634 -3.1060 -3.1060 -2.3962 -2.3962 -2.2377 -2.2377 -2.2173 -2.2173 3.9860 3.9860 3.9938 3.9938 4.0586 4.0586 4.5622 4.5622 4.6779 4.6779 4.8042 4.8042 k = 0.0000 0.2600-0.0000 ( 8329 PWs) bands (ev): -17.3122 -17.3122 -17.2717 -17.2717 -17.2638 -17.2638 -17.2631 -17.2631 -8.6473 -8.6473 -8.6424 -8.6424 -8.4200 -8.4200 -8.3060 -8.3060 -8.1118 -8.1118 -7.8773 -7.8773 -7.4268 -7.4268 -7.3921 -7.3921 -7.3637 -7.3637 -7.2613 -7.2613 -7.2070 -7.2070 -6.2170 -6.2170 -4.9271 -4.9271 -4.8882 -4.8882 -4.5569 -4.5569 -3.4686 -3.4686 -3.3598 -3.3598 -3.3460 -3.3460 -3.2998 -3.2998 -3.2394 -3.2394 -3.1677 -3.1677 -3.1653 -3.1653 -3.1033 -3.1033 -2.3990 -2.3990 -2.2203 -2.2203 -2.2007 -2.2007 3.9914 3.9914 3.9995 3.9995 4.0762 4.0762 4.5844 4.5844 4.6673 4.6673 4.8123 4.8123 k = 0.0000 0.2800-0.0000 ( 8325 PWs) bands (ev): -17.3110 -17.3110 -17.2729 -17.2729 -17.2638 -17.2638 -17.2631 -17.2631 -8.6447 -8.6447 -8.6391 -8.6391 -8.4246 -8.4246 -8.3190 -8.3190 -8.1025 -8.1025 -7.8867 -7.8867 -7.4127 -7.4127 -7.3898 -7.3898 -7.3551 -7.3551 -7.2642 -7.2642 -7.1923 -7.1923 -6.2637 -6.2637 -4.9225 -4.9225 -4.8847 -4.8847 -4.5176 -4.5176 -3.4890 -3.4890 -3.3751 -3.3751 -3.3609 -3.3609 -3.2979 -3.2979 -3.2415 -3.2415 -3.1693 -3.1693 -3.1670 -3.1670 -3.1007 -3.1007 -2.4019 -2.4019 -2.2034 -2.2034 -2.1846 -2.1846 3.9969 3.9969 4.0053 4.0053 4.0948 4.0948 4.6024 4.6024 4.6602 4.6602 4.8206 4.8206 k = 0.0000 0.3000-0.0000 ( 8317 PWs) bands (ev): -17.3098 -17.3098 -17.2741 -17.2741 -17.2638 -17.2638 -17.2631 -17.2631 -8.6419 -8.6419 -8.6359 -8.6359 -8.4288 -8.4288 -8.3319 -8.3319 -8.0930 -8.0930 -7.8961 -7.8961 -7.4022 -7.4022 -7.3873 -7.3873 -7.3466 -7.3466 -7.2673 -7.2673 -7.1734 -7.1734 -6.3104 -6.3104 -4.9180 -4.9180 -4.8814 -4.8814 -4.4792 -4.4792 -3.5098 -3.5098 -3.3898 -3.3898 -3.3754 -3.3754 -3.2958 -3.2958 -3.2438 -3.2438 -3.1706 -3.1706 -3.1685 -3.1685 -3.0983 -3.0983 -2.4048 -2.4048 -2.1872 -2.1872 -2.1693 -2.1693 4.0024 4.0024 4.0110 4.0110 4.1144 4.1144 4.6082 4.6082 4.6641 4.6641 4.8290 4.8290 k = 0.0000 0.3200-0.0000 ( 8321 PWs) bands (ev): -17.3085 -17.3085 -17.2753 -17.2753 -17.2638 -17.2638 -17.2631 -17.2631 -8.6392 -8.6392 -8.6327 -8.6327 -8.4326 -8.4326 -8.3444 -8.3444 -8.0834 -8.0834 -7.9056 -7.9056 -7.3945 -7.3945 -7.3845 -7.3845 -7.3390 -7.3390 -7.2705 -7.2705 -7.1502 -7.1502 -6.3572 -6.3572 -4.9137 -4.9137 -4.8783 -4.8783 -4.4419 -4.4419 -3.5308 -3.5308 -3.4037 -3.4037 -3.3891 -3.3891 -3.2937 -3.2937 -3.2462 -3.2462 -3.1718 -3.1718 -3.1699 -3.1699 -3.0959 -3.0959 -2.4078 -2.4078 -2.1719 -2.1719 -2.1550 -2.1550 4.0079 4.0079 4.0167 4.0167 4.1347 4.1347 4.6004 4.6004 4.6802 4.6802 4.8373 4.8373 k = 0.0000 0.3400-0.0000 ( 8321 PWs) bands (ev): -17.3072 -17.3072 -17.2766 -17.2766 -17.2638 -17.2638 -17.2632 -17.2632 -8.6365 -8.6365 -8.6297 -8.6297 -8.4357 -8.4357 -8.3565 -8.3565 -8.0736 -8.0736 -7.9151 -7.9151 -7.3890 -7.3890 -7.3812 -7.3812 -7.3327 -7.3327 -7.2738 -7.2738 -7.1233 -7.1233 -6.4036 -6.4036 -4.9096 -4.9096 -4.8753 -4.8753 -4.4061 -4.4061 -3.5517 -3.5517 -3.4167 -3.4167 -3.4018 -3.4018 -3.2914 -3.2914 -3.2487 -3.2487 -3.1729 -3.1729 -3.1710 -3.1710 -3.0937 -3.0937 -2.4106 -2.4106 -2.1577 -2.1577 -2.1418 -2.1418 4.0132 4.0132 4.0222 4.0222 4.1556 4.1556 4.5865 4.5865 4.7008 4.7008 4.8455 4.8455 k = 0.0000 0.3600-0.0000 ( 8321 PWs) bands (ev): -17.3059 -17.3059 -17.2779 -17.2779 -17.2638 -17.2638 -17.2632 -17.2632 -8.6338 -8.6338 -8.6268 -8.6268 -8.4382 -8.4382 -8.3681 -8.3681 -8.0638 -8.0638 -7.9247 -7.9247 -7.3852 -7.3852 -7.3777 -7.3777 -7.3278 -7.3278 -7.2772 -7.2772 -7.0935 -7.0935 -6.4495 -6.4495 -4.9057 -4.9057 -4.8726 -4.8726 -4.3724 -4.3724 -3.5721 -3.5721 -3.4285 -3.4285 -3.4135 -3.4135 -3.2891 -3.2891 -3.2512 -3.2512 -3.1739 -3.1739 -3.1721 -3.1721 -3.0917 -3.0917 -2.4134 -2.4134 -2.1447 -2.1447 -2.1299 -2.1299 4.0182 4.0182 4.0274 4.0274 4.1768 4.1768 4.5702 4.5702 4.7219 4.7219 4.8533 4.8533 k = 0.0000 0.3800-0.0000 ( 8321 PWs) bands (ev): -17.3046 -17.3046 -17.2792 -17.2792 -17.2638 -17.2638 -17.2632 -17.2632 -8.6312 -8.6312 -8.6242 -8.6242 -8.4399 -8.4399 -8.3792 -8.3792 -8.0539 -8.0539 -7.9343 -7.9343 -7.3822 -7.3822 -7.3743 -7.3743 -7.3237 -7.3237 -7.2807 -7.2807 -7.0614 -7.0614 -6.4945 -6.4945 -4.9022 -4.9022 -4.8702 -4.8702 -4.3413 -4.3413 -3.5916 -3.5916 -3.4391 -3.4391 -3.4239 -3.4239 -3.2866 -3.2866 -3.2538 -3.2538 -3.1747 -3.1747 -3.1730 -3.1730 -3.0899 -3.0899 -2.4159 -2.4159 -2.1331 -2.1331 -2.1193 -2.1193 4.0228 4.0228 4.0321 4.0321 4.1980 4.1980 4.5529 4.5529 4.7418 4.7418 4.8605 4.8605 k = 0.0000 0.4000-0.0000 ( 8337 PWs) bands (ev): -17.3034 -17.3034 -17.2804 -17.2804 -17.2638 -17.2638 -17.2632 -17.2632 -8.6289 -8.6289 -8.6220 -8.6220 -8.4407 -8.4407 -8.3896 -8.3896 -8.0439 -8.0439 -7.9440 -7.9440 -7.3800 -7.3800 -7.3713 -7.3713 -7.3205 -7.3205 -7.2842 -7.2842 -7.0282 -7.0282 -6.5383 -6.5383 -4.8990 -4.8990 -4.8681 -4.8681 -4.3132 -4.3132 -3.6098 -3.6098 -3.4482 -3.4482 -3.4329 -3.4329 -3.2842 -3.2842 -3.2564 -3.2564 -3.1754 -3.1754 -3.1737 -3.1737 -3.0882 -3.0882 -2.4182 -2.4182 -2.1230 -2.1230 -2.1103 -2.1103 4.0269 4.0269 4.0363 4.0363 4.2187 4.2187 4.5353 4.5353 4.7599 4.7599 4.8671 4.8671 k = 0.0000 0.4200-0.0000 ( 8333 PWs) bands (ev): -17.3022 -17.3022 -17.2816 -17.2816 -17.2638 -17.2638 -17.2632 -17.2632 -8.6267 -8.6267 -8.6200 -8.6200 -8.4405 -8.4405 -8.3992 -8.3992 -8.0339 -8.0339 -7.9538 -7.9538 -7.3780 -7.3780 -7.3689 -7.3689 -7.3176 -7.3176 -7.2876 -7.2876 -6.9946 -6.9946 -6.5801 -6.5801 -4.8964 -4.8964 -4.8663 -4.8663 -4.2887 -4.2887 -3.6260 -3.6260 -3.4558 -3.4558 -3.4405 -3.4405 -3.2817 -3.2817 -3.2590 -3.2590 -3.1759 -3.1759 -3.1744 -3.1744 -3.0869 -3.0869 -2.4201 -2.4201 -2.1146 -2.1146 -2.1028 -2.1028 4.0305 4.0305 4.0400 4.0400 4.2383 4.2383 4.5182 4.5182 4.7754 4.7754 4.8727 4.8727 k = 0.0000 0.4400-0.0000 ( 8334 PWs) bands (ev): -17.3012 -17.3012 -17.2826 -17.2826 -17.2637 -17.2637 -17.2632 -17.2632 -8.6248 -8.6248 -8.6186 -8.6186 -8.4392 -8.4392 -8.4079 -8.4079 -8.0239 -8.0239 -7.9636 -7.9636 -7.3764 -7.3764 -7.3670 -7.3670 -7.3150 -7.3150 -7.2909 -7.2909 -6.9622 -6.9622 -6.6187 -6.6187 -4.8942 -4.8942 -4.8649 -4.8649 -4.2687 -4.2687 -3.6396 -3.6396 -3.4618 -3.4618 -3.4464 -3.4464 -3.2792 -3.2792 -3.2616 -3.2616 -3.1764 -3.1764 -3.1748 -3.1748 -3.0858 -3.0858 -2.4217 -2.4217 -2.1079 -2.1079 -2.0970 -2.0970 4.0334 4.0334 4.0429 4.0429 4.2560 4.2560 4.5024 4.5024 4.7881 4.7881 4.8774 4.8774 k = 0.0000 0.4600-0.0000 ( 8354 PWs) bands (ev): -17.3004 -17.3004 -17.2834 -17.2834 -17.2637 -17.2637 -17.2632 -17.2632 -8.6234 -8.6234 -8.6176 -8.6176 -8.4368 -8.4368 -8.4158 -8.4158 -8.0139 -8.0139 -7.9736 -7.9736 -7.3752 -7.3752 -7.3658 -7.3658 -7.3126 -7.3126 -7.2939 -7.2939 -6.9332 -6.9332 -6.6521 -6.6521 -4.8927 -4.8927 -4.8639 -4.8639 -4.2538 -4.2538 -3.6499 -3.6499 -3.4662 -3.4662 -3.4507 -3.4507 -3.2768 -3.2768 -3.2642 -3.2642 -3.1767 -3.1767 -3.1752 -3.1752 -3.0850 -3.0850 -2.4228 -2.4228 -2.1030 -2.1030 -2.0928 -2.0928 4.0354 4.0354 4.0450 4.0450 4.2705 4.2705 4.4893 4.4893 4.7973 4.7973 4.8808 4.8808 k = 0.0000 0.4800-0.0000 ( 8358 PWs) bands (ev): -17.2998 -17.2998 -17.2840 -17.2840 -17.2637 -17.2637 -17.2632 -17.2632 -8.6225 -8.6225 -8.6170 -8.6170 -8.4334 -8.4334 -8.4225 -8.4225 -8.0040 -8.0040 -7.9834 -7.9834 -7.3744 -7.3744 -7.3650 -7.3650 -7.3108 -7.3108 -7.2963 -7.2963 -6.9117 -6.9117 -6.6761 -6.6761 -4.8918 -4.8918 -4.8634 -4.8634 -4.2445 -4.2445 -3.6564 -3.6564 -3.4688 -3.4688 -3.4533 -3.4533 -3.2746 -3.2746 -3.2664 -3.2664 -3.1769 -3.1769 -3.1754 -3.1754 -3.0846 -3.0846 -2.4235 -2.4235 -2.1001 -2.1001 -2.0903 -2.0903 4.0367 4.0367 4.0463 4.0463 4.2803 4.2803 4.4803 4.4803 4.8030 4.8030 4.8829 4.8829 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2996 -17.2996 -17.2842 -17.2842 -17.2637 -17.2637 -17.2632 -17.2632 -8.6221 -8.6221 -8.6168 -8.6168 -8.4299 -8.4299 -8.4269 -8.4269 -7.9959 -7.9959 -7.9913 -7.9913 -7.3741 -7.3741 -7.3647 -7.3647 -7.3099 -7.3099 -7.2971 -7.2971 -6.9034 -6.9034 -6.6852 -6.6852 -4.8914 -4.8914 -4.8631 -4.8631 -4.2414 -4.2414 -3.6586 -3.6586 -3.4697 -3.4697 -3.4542 -3.4542 -3.2735 -3.2735 -3.2675 -3.2675 -3.1769 -3.1769 -3.1755 -3.1755 -3.0844 -3.0844 -2.4237 -2.4237 -2.0991 -2.0991 -2.0894 -2.0894 4.0372 4.0372 4.0468 4.0468 4.2838 4.2838 4.4772 4.4772 4.8049 4.8049 4.8836 4.8836 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2996 -17.2996 -17.2842 -17.2842 -17.2637 -17.2637 -17.2632 -17.2632 -8.6221 -8.6221 -8.6168 -8.6168 -8.4299 -8.4299 -8.4269 -8.4269 -7.9959 -7.9959 -7.9913 -7.9913 -7.3741 -7.3741 -7.3647 -7.3647 -7.3099 -7.3099 -7.2971 -7.2971 -6.9034 -6.9034 -6.6852 -6.6852 -4.8914 -4.8914 -4.8631 -4.8631 -4.2414 -4.2414 -3.6586 -3.6586 -3.4697 -3.4697 -3.4542 -3.4542 -3.2735 -3.2735 -3.2675 -3.2675 -3.1769 -3.1769 -3.1755 -3.1755 -3.0844 -3.0844 -2.4237 -2.4237 -2.0991 -2.0991 -2.0894 -2.0894 4.0372 4.0372 4.0468 4.0468 4.2838 4.2838 4.4772 4.4772 4.8049 4.8049 4.8836 4.8836 k = 0.0200 0.5000-0.0000 ( 8346 PWs) bands (ev): -17.2996 -17.2996 -17.2842 -17.2841 -17.2638 -17.2637 -17.2632 -17.2632 -8.6257 -8.6208 -8.6184 -8.6125 -8.4390 -8.4354 -8.4211 -8.4186 -8.0033 -7.9989 -7.9888 -7.9840 -7.3756 -7.3728 -7.3655 -7.3640 -7.3107 -7.3092 -7.2972 -7.2971 -6.9050 -6.9020 -6.6878 -6.6828 -4.8916 -4.8911 -4.8650 -4.8610 -4.2418 -4.2405 -3.6592 -3.6589 -3.4706 -3.4702 -3.4549 -3.4547 -3.2742 -3.2726 -3.2675 -3.2666 -3.1775 -3.1756 -3.1749 -3.1748 -3.0847 -3.0841 -2.4241 -2.4239 -2.1004 -2.0978 -2.0901 -2.0888 4.0361 4.0390 4.0465 4.0478 4.2842 4.2849 4.4774 4.4794 4.8053 4.8053 4.8813 4.8832 k = 0.0400 0.5000-0.0000 ( 8342 PWs) bands (ev): -17.2995 -17.2995 -17.2841 -17.2840 -17.2639 -17.2638 -17.2633 -17.2633 -8.6289 -8.6245 -8.6144 -8.6078 -8.4480 -8.4437 -8.4125 -8.4104 -8.0106 -8.0065 -7.9820 -7.9768 -7.3769 -7.3715 -7.3662 -7.3633 -7.3115 -7.3084 -7.2972 -7.2970 -6.9067 -6.9008 -6.6906 -6.6806 -4.8915 -4.8906 -4.8667 -4.8587 -4.2416 -4.2391 -3.6607 -3.6600 -3.4730 -3.4724 -3.4566 -3.4562 -3.2746 -3.2714 -3.2668 -3.2649 -3.1770 -3.1745 -3.1733 -3.1723 -3.0848 -3.0836 -2.4249 -2.4246 -2.1017 -2.0965 -2.0906 -2.0881 4.0358 4.0412 4.0470 4.0500 4.2860 4.2873 4.4800 4.4840 4.8063 4.8064 4.8764 4.8800 k = 0.0600 0.5000-0.0000 ( 8338 PWs) bands (ev): -17.2994 -17.2994 -17.2841 -17.2839 -17.2640 -17.2639 -17.2634 -17.2634 -8.6318 -8.6278 -8.6102 -8.6028 -8.4570 -8.4519 -8.4041 -8.4023 -8.0180 -8.0141 -7.9754 -7.9700 -7.3782 -7.3702 -7.3669 -7.3626 -7.3122 -7.3076 -7.2972 -7.2969 -6.9085 -6.8997 -6.6935 -6.6787 -4.8913 -4.8899 -4.8681 -4.8563 -4.2410 -4.2373 -3.6629 -3.6620 -3.4774 -3.4769 -3.4588 -3.4579 -3.2747 -3.2699 -3.2654 -3.2625 -3.1756 -3.1729 -3.1708 -3.1684 -3.0849 -3.0832 -2.4263 -2.4258 -2.1030 -2.0952 -2.0911 -2.0874 4.0363 4.0434 4.0482 4.0536 4.2892 4.2912 4.4851 4.4910 4.8080 4.8082 4.8688 4.8743 k = 0.0800 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2992 -17.2992 -17.2839 -17.2837 -17.2642 -17.2640 -17.2636 -17.2635 -8.6344 -8.6308 -8.6059 -8.5975 -8.4660 -8.4600 -8.3960 -8.3944 -8.0252 -8.0215 -7.9693 -7.9636 -7.3795 -7.3691 -7.3675 -7.3619 -7.3129 -7.3068 -7.2972 -7.2967 -6.9104 -6.8989 -6.6964 -6.6771 -4.8908 -4.8891 -4.8692 -4.8538 -4.2397 -4.2350 -3.6658 -3.6647 -3.4840 -3.4838 -3.4611 -3.4594 -3.2744 -3.2680 -3.2634 -3.2595 -3.1734 -3.1706 -3.1673 -3.1637 -3.0848 -3.0827 -2.4282 -2.4275 -2.1042 -2.0940 -2.0915 -2.0867 4.0377 4.0456 4.0503 4.0588 4.2937 4.2962 4.4927 4.5003 4.8104 4.8107 4.8588 4.8660 k = 0.1000 0.5000-0.0000 ( 8326 PWs) bands (ev): -17.2990 -17.2989 -17.2838 -17.2835 -17.2644 -17.2641 -17.2638 -17.2637 -8.6368 -8.6334 -8.6014 -8.5919 -8.4750 -8.4677 -8.3883 -8.3870 -8.0321 -8.0286 -7.9637 -7.9577 -7.3807 -7.3681 -7.3680 -7.3612 -7.3135 -7.3060 -7.2972 -7.2965 -6.9123 -6.8983 -6.6994 -6.6759 -4.8901 -4.8881 -4.8701 -4.8512 -4.2379 -4.2323 -3.6694 -3.6682 -3.4930 -3.4927 -3.4631 -3.4608 -3.2736 -3.2659 -3.2610 -3.2561 -3.1705 -3.1678 -3.1630 -3.1581 -3.0847 -3.0822 -2.4306 -2.4296 -2.1053 -2.0929 -2.0919 -2.0860 4.0396 4.0478 4.0534 4.0654 4.2994 4.3024 4.5026 4.5118 4.8134 4.8139 4.8464 4.8555 k = 0.1200 0.5000-0.0000 ( 8334 PWs) bands (ev): -17.2988 -17.2987 -17.2836 -17.2833 -17.2647 -17.2644 -17.2640 -17.2639 -8.6389 -8.6358 -8.5968 -8.5860 -8.4839 -8.4752 -8.3813 -8.3801 -8.0387 -8.0353 -7.9586 -7.9524 -7.3818 -7.3686 -7.3671 -7.3606 -7.3141 -7.3053 -7.2972 -7.2963 -6.9142 -6.8980 -6.7023 -6.6749 -4.8892 -4.8870 -4.8707 -4.8487 -4.2355 -4.2291 -3.6736 -3.6723 -3.5041 -3.5033 -3.4650 -3.4622 -3.2723 -3.2633 -3.2584 -3.2523 -3.1671 -3.1646 -3.1579 -3.1519 -3.0845 -3.0818 -2.4334 -2.4322 -2.1063 -2.0922 -2.0919 -2.0854 4.0421 4.0502 4.0578 4.0732 4.3060 4.3094 4.5148 4.5255 4.8170 4.8178 4.8319 4.8427 k = 0.1400 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2985 -17.2983 -17.2834 -17.2830 -17.2650 -17.2646 -17.2643 -17.2641 -8.6406 -8.6378 -8.5923 -8.5798 -8.4927 -8.4822 -8.3748 -8.3737 -8.0448 -8.0415 -7.9542 -7.9477 -7.3826 -7.3690 -7.3663 -7.3600 -7.3147 -7.3046 -7.2973 -7.2960 -6.9161 -6.8979 -6.7051 -6.6744 -4.8881 -4.8858 -4.8710 -4.8463 -4.2324 -4.2254 -3.6783 -3.6770 -3.5167 -3.5155 -3.4669 -3.4636 -3.2704 -3.2602 -3.2555 -3.2483 -3.1631 -3.1611 -3.1523 -3.1453 -3.0843 -3.0814 -2.4367 -2.4352 -2.1071 -2.0924 -2.0909 -2.0848 4.0450 4.0530 4.0635 4.0822 4.3134 4.3172 4.5292 4.5412 4.8151 4.8216 4.8223 4.8281 k = 0.1600 0.5000-0.0000 ( 8318 PWs) bands (ev): -17.2981 -17.2980 -17.2831 -17.2827 -17.2653 -17.2650 -17.2646 -17.2644 -8.6420 -8.6394 -8.5880 -8.5734 -8.5012 -8.4885 -8.3691 -8.3681 -8.0501 -8.0469 -7.9504 -7.9436 -7.3834 -7.3692 -7.3656 -7.3595 -7.3151 -7.3040 -7.2973 -7.2957 -6.9179 -6.8981 -6.7079 -6.6742 -4.8869 -4.8845 -4.8710 -4.8439 -4.2287 -4.2212 -3.6833 -3.6820 -3.5305 -3.5288 -3.4688 -3.4651 -3.2679 -3.2567 -3.2525 -3.2442 -3.1587 -3.1572 -3.1462 -3.1385 -3.0841 -3.0812 -2.4405 -2.4386 -2.1077 -2.0925 -2.0900 -2.0842 4.0482 4.0561 4.0706 4.0924 4.3215 4.3255 4.5458 4.5589 4.7970 4.8117 4.8262 4.8276 k = 0.1800 0.5000-0.0000 ( 8326 PWs) bands (ev): -17.2977 -17.2976 -17.2828 -17.2823 -17.2657 -17.2653 -17.2650 -17.2647 -8.6431 -8.6407 -8.5840 -8.5667 -8.5096 -8.4941 -8.3644 -8.3633 -8.0547 -8.0516 -7.9474 -7.9403 -7.3840 -7.3694 -7.3650 -7.3591 -7.3156 -7.3034 -7.2974 -7.2955 -6.9197 -6.8985 -6.7104 -6.6744 -4.8855 -4.8833 -4.8708 -4.8417 -4.2243 -4.2166 -3.6885 -3.6875 -3.5454 -3.5432 -3.4708 -3.4668 -3.2648 -3.2527 -3.2493 -3.2400 -3.1541 -3.1533 -3.1398 -3.1316 -3.0838 -3.0812 -2.4446 -2.4424 -2.1082 -2.0925 -2.0892 -2.0837 4.0518 4.0596 4.0790 4.1036 4.3299 4.3340 4.5644 4.5785 4.7773 4.7937 4.8317 4.8334 k = 0.2000 0.5000-0.0000 ( 8306 PWs) bands (ev): -17.2973 -17.2971 -17.2825 -17.2819 -17.2661 -17.2657 -17.2653 -17.2650 -8.6439 -8.6416 -8.5805 -8.5599 -8.5175 -8.4986 -8.3605 -8.3594 -8.0583 -8.0552 -7.9450 -7.9378 -7.3843 -7.3694 -7.3646 -7.3586 -7.3159 -7.3029 -7.2974 -7.2953 -6.9213 -6.8991 -6.7127 -6.6749 -4.8841 -4.8819 -4.8703 -4.8397 -4.2192 -4.2114 -3.6940 -3.6931 -3.5611 -3.5584 -3.4728 -3.4686 -3.2611 -3.2483 -3.2460 -3.2357 -3.1494 -3.1494 -3.1332 -3.1247 -3.0835 -3.0812 -2.4490 -2.4464 -2.1084 -2.0924 -2.0885 -2.0832 4.0558 4.0635 4.0889 4.1158 4.3383 4.3425 4.5849 4.5997 4.7562 4.7744 4.8378 4.8400 k = 0.2200 0.5000-0.0000 ( 8310 PWs) bands (ev): -17.2969 -17.2967 -17.2821 -17.2815 -17.2665 -17.2661 -17.2657 -17.2654 -8.6444 -8.6423 -8.5779 -8.5532 -8.5250 -8.5018 -8.3579 -8.3567 -8.0609 -8.0578 -7.9435 -7.9361 -7.3845 -7.3694 -7.3642 -7.3583 -7.3162 -7.3025 -7.2975 -7.2951 -6.9228 -6.8999 -6.7148 -6.6758 -4.8826 -4.8806 -4.8695 -4.8380 -4.2135 -4.2058 -3.6995 -3.6989 -3.5774 -3.5741 -3.4748 -3.4705 -3.2569 -3.2435 -3.2425 -3.2315 -3.1457 -3.1447 -3.1267 -3.1180 -3.0831 -3.0814 -2.4538 -2.4508 -2.1084 -2.0923 -2.0879 -2.0828 4.0601 4.0678 4.1000 4.1291 4.3465 4.3508 4.6071 4.6224 4.7339 4.7540 4.8445 4.8473 k = 0.2400 0.5000-0.0000 ( 8324 PWs) bands (ev): -17.2964 -17.2962 -17.2817 -17.2811 -17.2670 -17.2666 -17.2662 -17.2657 -8.6446 -8.6426 -8.5765 -8.5477 -8.5309 -8.5035 -8.3564 -8.3552 -8.0624 -8.0592 -7.9428 -7.9353 -7.3844 -7.3692 -7.3640 -7.3581 -7.3165 -7.3022 -7.2976 -7.2950 -6.9241 -6.9010 -6.7165 -6.6770 -4.8811 -4.8793 -4.8685 -4.8365 -4.2071 -4.1998 -3.7050 -3.7047 -3.5941 -3.5903 -3.4769 -3.4725 -3.2521 -3.2389 -3.2383 -3.2271 -3.1423 -3.1402 -3.1202 -3.1117 -3.0825 -3.0817 -2.4587 -2.4553 -2.1082 -2.0920 -2.0874 -2.0825 4.0648 4.0724 4.1125 4.1434 4.3543 4.3585 4.6308 4.6462 4.7107 4.7327 4.8521 4.8555 k = 0.2600 0.5000-0.0000 ( 8322 PWs) bands (ev): -17.2959 -17.2957 -17.2813 -17.2807 -17.2675 -17.2671 -17.2666 -17.2662 -8.6444 -8.6426 -8.5764 -8.5473 -8.5311 -8.5033 -8.3562 -8.3548 -8.0627 -8.0595 -7.9429 -7.9353 -7.3841 -7.3688 -7.3639 -7.3580 -7.3166 -7.3020 -7.2977 -7.2949 -6.9252 -6.9022 -6.7180 -6.6786 -4.8796 -4.8780 -4.8672 -4.8353 -4.2002 -4.1934 -3.7104 -3.7104 -3.6110 -3.6067 -3.4790 -3.4746 -3.2468 -3.2351 -3.2329 -3.2228 -3.1394 -3.1360 -3.1140 -3.1059 -3.0820 -3.0818 -2.4637 -2.4601 -2.1078 -2.0917 -2.0870 -2.0823 4.0698 4.0774 4.1262 4.1586 4.3614 4.3656 4.6551 4.6701 4.6876 4.7117 4.8605 4.8644 k = 0.2800 0.5000-0.0000 ( 8306 PWs) bands (ev): -17.2953 -17.2951 -17.2809 -17.2802 -17.2680 -17.2676 -17.2671 -17.2666 -8.6439 -8.6421 -8.5776 -8.5523 -8.5253 -8.5012 -8.3571 -8.3556 -8.0618 -8.0584 -7.9438 -7.9361 -7.3836 -7.3684 -7.3638 -7.3579 -7.3165 -7.3018 -7.2978 -7.2949 -6.9261 -6.9035 -6.7191 -6.6804 -4.8783 -4.8768 -4.8656 -4.8344 -4.1928 -4.1865 -3.7159 -3.7157 -3.6278 -3.6231 -3.4810 -3.4767 -3.2412 -3.2311 -3.2274 -3.2184 -3.1371 -3.1324 -3.1081 -3.1005 -3.0822 -3.0808 -2.4687 -2.4648 -2.1071 -2.0913 -2.0867 -2.0821 4.0752 4.0826 4.1411 4.1749 4.3676 4.3717 4.6585 4.6795 4.6860 4.7056 4.8698 4.8743 k = 0.3000 0.5000-0.0000 ( 8314 PWs) bands (ev): -17.2948 -17.2946 -17.2804 -17.2797 -17.2685 -17.2681 -17.2676 -17.2670 -8.6432 -8.6414 -8.5799 -8.5588 -8.5177 -8.4976 -8.3594 -8.3577 -8.0597 -8.0562 -7.9455 -7.9379 -7.3830 -7.3678 -7.3639 -7.3579 -7.3164 -7.3018 -7.2980 -7.2950 -6.9268 -6.9051 -6.7199 -6.6824 -4.8770 -4.8756 -4.8638 -4.8339 -4.1849 -4.1794 -3.7213 -3.7207 -3.6445 -3.6394 -3.4830 -3.4788 -3.2353 -3.2270 -3.2218 -3.2139 -3.1355 -3.1294 -3.1026 -3.0957 -3.0823 -3.0797 -2.4737 -2.4696 -2.1062 -2.0909 -2.0866 -2.0820 4.0808 4.0879 4.1571 4.1920 4.3728 4.3768 4.6345 4.6595 4.7122 4.7292 4.8800 4.8850 k = 0.3200 0.5000-0.0000 ( 8318 PWs) bands (ev): -17.2943 -17.2941 -17.2799 -17.2792 -17.2690 -17.2686 -17.2681 -17.2675 -8.6421 -8.6403 -8.5831 -8.5655 -8.5095 -8.4927 -8.3627 -8.3609 -8.0565 -8.0529 -7.9480 -7.9404 -7.3821 -7.3672 -7.3640 -7.3581 -7.3162 -7.3019 -7.2981 -7.2951 -6.9273 -6.9067 -6.7203 -6.6847 -4.8758 -4.8746 -4.8619 -4.8336 -4.1769 -4.1720 -3.7263 -3.7255 -3.6607 -3.6553 -3.4849 -3.4809 -3.2292 -3.2227 -3.2162 -3.2095 -3.1347 -3.1273 -3.0975 -3.0914 -3.0822 -3.0783 -2.4785 -2.4744 -2.1052 -2.0904 -2.0866 -2.0819 4.0865 4.0933 4.1742 4.2100 4.3769 4.3807 4.6089 4.6357 4.7406 4.7567 4.8913 4.8967 k = 0.3400 0.5000-0.0000 ( 8308 PWs) bands (ev): -17.2938 -17.2936 -17.2794 -17.2786 -17.2695 -17.2691 -17.2686 -17.2680 -8.6408 -8.6389 -8.5869 -8.5720 -8.5009 -8.4868 -8.3672 -8.3651 -8.0523 -8.0485 -7.9513 -7.9437 -7.3811 -7.3665 -7.3643 -7.3582 -7.3158 -7.3021 -7.2981 -7.2953 -6.9276 -6.9084 -6.7203 -6.6872 -4.8747 -4.8736 -4.8598 -4.8336 -4.1687 -4.1646 -3.7311 -3.7299 -3.6762 -3.6706 -3.4866 -3.4830 -3.2231 -3.2183 -3.2108 -3.2052 -3.1346 -3.1260 -3.0929 -3.0877 -3.0817 -3.0768 -2.4831 -2.4790 -2.1041 -2.0898 -2.0867 -2.0820 4.0922 4.0987 4.1924 4.2289 4.3799 4.3835 4.5827 4.6110 4.7698 4.7852 4.9035 4.9092 k = 0.3600 0.5000-0.0000 ( 8308 PWs) bands (ev): -17.2933 -17.2931 -17.2789 -17.2781 -17.2700 -17.2695 -17.2691 -17.2685 -8.6391 -8.6371 -8.5910 -8.5784 -8.4921 -8.4800 -8.3726 -8.3703 -8.0472 -8.0432 -7.9553 -7.9478 -7.3799 -7.3658 -7.3646 -7.3585 -7.3153 -7.3025 -7.2982 -7.2956 -6.9276 -6.9102 -6.7200 -6.6898 -4.8738 -4.8727 -4.8576 -4.8339 -4.1606 -4.1573 -3.7355 -3.7341 -3.6908 -3.6850 -3.4882 -3.4849 -3.2171 -3.2138 -3.2058 -3.2010 -3.1350 -3.1258 -3.0887 -3.0845 -3.0809 -3.0754 -2.4873 -2.4833 -2.1028 -2.0892 -2.0870 -2.0821 4.0979 4.1039 4.2116 4.2485 4.3819 4.3853 4.5564 4.5860 4.7994 4.8142 4.9164 4.9223 k = 0.3800 0.5000-0.0000 ( 8316 PWs) bands (ev): -17.2928 -17.2926 -17.2784 -17.2776 -17.2704 -17.2700 -17.2695 -17.2690 -8.6372 -8.6350 -8.5954 -8.5845 -8.4831 -8.4727 -8.3789 -8.3763 -8.0414 -8.0371 -7.9599 -7.9526 -7.3787 -7.3651 -7.3651 -7.3588 -7.3146 -7.3030 -7.2983 -7.2960 -6.9274 -6.9120 -6.7193 -6.6926 -4.8730 -4.8720 -4.8554 -4.8345 -4.1527 -4.1502 -3.7396 -3.7379 -3.7040 -3.6983 -3.4897 -3.4867 -3.2115 -3.2092 -3.2012 -3.1970 -3.1359 -3.1264 -3.0851 -3.0817 -3.0799 -3.0742 -2.4911 -2.4874 -2.1014 -2.0886 -2.0875 -2.0823 4.1034 4.1088 4.2317 4.2689 4.3829 4.3861 4.5300 4.5608 4.8293 4.8432 4.9299 4.9357 k = 0.4000 0.5000-0.0000 ( 8328 PWs) bands (ev): -17.2924 -17.2922 -17.2779 -17.2771 -17.2709 -17.2704 -17.2700 -17.2695 -8.6351 -8.6326 -8.5998 -8.5904 -8.4740 -8.4649 -8.3859 -8.3830 -8.0350 -8.0305 -7.9652 -7.9581 -7.3774 -7.3657 -7.3644 -7.3591 -7.3138 -7.3036 -7.2983 -7.2963 -6.9270 -6.9138 -6.7184 -6.6954 -4.8722 -4.8714 -4.8532 -4.8354 -4.1455 -4.1436 -3.7434 -3.7415 -3.7156 -3.7100 -3.4909 -3.4883 -3.2064 -3.2045 -3.1971 -3.1934 -3.1370 -3.1277 -3.0820 -3.0795 -3.0787 -3.0733 -2.4943 -2.4910 -2.1000 -2.0881 -2.0880 -2.0825 4.1084 4.1132 4.2526 4.2899 4.3834 4.3861 4.5036 4.5354 4.8591 4.8720 4.9434 4.9491 k = 0.4200 0.5000-0.0000 ( 8324 PWs) bands (ev): -17.2920 -17.2919 -17.2774 -17.2766 -17.2712 -17.2708 -17.2704 -17.2700 -8.6326 -8.6298 -8.6041 -8.5960 -8.4648 -8.4568 -8.3935 -8.3903 -8.0281 -8.0233 -7.9711 -7.9641 -7.3759 -7.3664 -7.3637 -7.3595 -7.3129 -7.3044 -7.2983 -7.2966 -6.9264 -6.9156 -6.7170 -6.6982 -4.8716 -4.8709 -4.8509 -4.8365 -4.1390 -4.1376 -3.7469 -3.7450 -3.7249 -3.7199 -3.4918 -3.4898 -3.2018 -3.2000 -3.1937 -3.1905 -3.1381 -3.1296 -3.0795 -3.0776 -3.0774 -3.0726 -2.4970 -2.4942 -2.0985 -2.0888 -2.0873 -2.0828 4.1130 4.1170 4.2744 4.3114 4.3833 4.3857 4.4776 4.5102 4.8885 4.9002 4.9565 4.9620 k = 0.4400 0.5000-0.0000 ( 8326 PWs) bands (ev): -17.2917 -17.2916 -17.2769 -17.2762 -17.2715 -17.2711 -17.2708 -17.2705 -8.6299 -8.6267 -8.6084 -8.6013 -8.4555 -8.4485 -8.4015 -8.3980 -8.0208 -8.0158 -7.9774 -7.9707 -7.3746 -7.3672 -7.3631 -7.3599 -7.3119 -7.3053 -7.2982 -7.2970 -6.9256 -6.9173 -6.7154 -6.7010 -4.8711 -4.8705 -4.8488 -4.8378 -4.1336 -4.1327 -3.7502 -3.7486 -3.7317 -3.7277 -3.4925 -3.4910 -3.1977 -3.1959 -3.1911 -3.1884 -3.1389 -3.1317 -3.0776 -3.0763 -3.0760 -3.0722 -2.4991 -2.4969 -2.0970 -2.0896 -2.0866 -2.0832 4.1169 4.1200 4.2967 4.3330 4.3831 4.3849 4.4522 4.4852 4.9172 4.9274 4.9686 4.9737 k = 0.4600 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2915 -17.2914 -17.2764 -17.2760 -17.2718 -17.2714 -17.2711 -17.2709 -8.6269 -8.6233 -8.6125 -8.6063 -8.4462 -8.4400 -8.4100 -8.4061 -8.0134 -8.0081 -7.9841 -7.9777 -7.3731 -7.3682 -7.3625 -7.3604 -7.3108 -7.3063 -7.2981 -7.2973 -6.9246 -6.9190 -6.7135 -6.7038 -4.8707 -4.8703 -4.8467 -4.8393 -4.1295 -4.1290 -3.7530 -3.7519 -3.7358 -3.7331 -3.4930 -3.4919 -3.1940 -3.1926 -3.1894 -3.1873 -3.1392 -3.1339 -3.0763 -3.0754 -3.0747 -3.0721 -2.5004 -2.4989 -2.0956 -2.0906 -2.0860 -2.0837 4.1200 4.1221 4.3195 4.3539 4.3829 4.3841 4.4285 4.4607 4.9442 4.9523 4.9788 4.9839 k = 0.4800 0.5000-0.0000 ( 8342 PWs) bands (ev): -17.2913 -17.2913 -17.2761 -17.2758 -17.2718 -17.2716 -17.2712 -17.2712 -8.6237 -8.6196 -8.6165 -8.6111 -8.4370 -8.4315 -8.4188 -8.4144 -8.0059 -8.0003 -7.9912 -7.9850 -7.3718 -7.3693 -7.3619 -7.3609 -7.3097 -7.3074 -7.2980 -7.2976 -6.9234 -6.9206 -6.7114 -6.7065 -4.8704 -4.8702 -4.8446 -4.8409 -4.1269 -4.1267 -3.7549 -3.7544 -3.7378 -3.7364 -3.4932 -3.4926 -3.1911 -3.1901 -3.1887 -3.1874 -3.1389 -3.1360 -3.0755 -3.0751 -3.0736 -3.0723 -2.5011 -2.5004 -2.0942 -2.0917 -2.0854 -2.0842 4.1221 4.1232 4.3421 4.3688 4.3830 4.3834 4.4114 4.4372 4.9673 4.9714 4.9874 4.9930 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2759 -17.2759 -17.2718 -17.2718 -17.2713 -17.2713 -8.6202 -8.6202 -8.6155 -8.6155 -8.4278 -8.4278 -8.4229 -8.4229 -7.9985 -7.9985 -7.9926 -7.9926 -7.3705 -7.3705 -7.3614 -7.3614 -7.3085 -7.3085 -7.2978 -7.2978 -6.9221 -6.9221 -6.7090 -6.7090 -4.8703 -4.8703 -4.8427 -4.8427 -4.1259 -4.1259 -3.7555 -3.7555 -3.7379 -3.7379 -3.4930 -3.4930 -3.1891 -3.1891 -3.1885 -3.1885 -3.1377 -3.1377 -3.0751 -3.0751 -3.0728 -3.0728 -2.5011 -2.5011 -2.0929 -2.0929 -2.0848 -2.0848 4.1232 4.1232 4.3624 4.3624 4.3830 4.3830 4.4169 4.4169 4.9776 4.9776 4.9963 4.9963 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2759 -17.2759 -17.2718 -17.2718 -17.2713 -17.2713 -8.6202 -8.6202 -8.6155 -8.6155 -8.4278 -8.4278 -8.4229 -8.4229 -7.9985 -7.9985 -7.9926 -7.9926 -7.3705 -7.3705 -7.3614 -7.3614 -7.3085 -7.3085 -7.2978 -7.2978 -6.9221 -6.9221 -6.7090 -6.7090 -4.8703 -4.8703 -4.8427 -4.8427 -4.1259 -4.1259 -3.7555 -3.7555 -3.7379 -3.7379 -3.4930 -3.4930 -3.1891 -3.1891 -3.1885 -3.1885 -3.1377 -3.1377 -3.0751 -3.0751 -3.0728 -3.0728 -2.5011 -2.5011 -2.0929 -2.0929 -2.0848 -2.0848 4.1232 4.1232 4.3624 4.3624 4.3830 4.3830 4.4169 4.4169 4.9776 4.9776 4.9963 4.9963 k = 0.4861 0.4861-0.0000 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2761 -17.2758 -17.2718 -17.2716 -17.2712 -17.2712 -8.6236 -8.6195 -8.6165 -8.6112 -8.4369 -8.4313 -8.4190 -8.4146 -8.0058 -8.0002 -7.9913 -7.9851 -7.3718 -7.3694 -7.3619 -7.3609 -7.3097 -7.3074 -7.2980 -7.2976 -6.9234 -6.9207 -6.7113 -6.7065 -4.8704 -4.8702 -4.8446 -4.8409 -4.1269 -4.1266 -3.7549 -3.7545 -3.7378 -3.7365 -3.4932 -3.4926 -3.1909 -3.1906 -3.1882 -3.1876 -3.1388 -3.1361 -3.0755 -3.0750 -3.0736 -3.0723 -2.5011 -2.5004 -2.0942 -2.0918 -2.0853 -2.0842 4.1221 4.1232 4.3424 4.3693 4.3827 4.3834 4.4115 4.4366 4.9689 4.9693 4.9887 4.9934 k = 0.4722 0.4722-0.0000 ( 8328 PWs) bands (ev): -17.2915 -17.2914 -17.2764 -17.2759 -17.2718 -17.2715 -17.2710 -17.2709 -8.6268 -8.6232 -8.6126 -8.6065 -8.4460 -8.4398 -8.4103 -8.4063 -8.0132 -8.0080 -7.9842 -7.9778 -7.3730 -7.3684 -7.3622 -7.3604 -7.3108 -7.3062 -7.2981 -7.2972 -6.9247 -6.9192 -6.7133 -6.7038 -4.8707 -4.8703 -4.8466 -4.8393 -4.1294 -4.1289 -3.7527 -3.7519 -3.7361 -3.7335 -3.4930 -3.4920 -3.1938 -3.1937 -3.1878 -3.1876 -3.1393 -3.1342 -3.0765 -3.0757 -3.0743 -3.0720 -2.5004 -2.4989 -2.0955 -2.0914 -2.0853 -2.0837 4.1201 4.1222 4.3195 4.3544 4.3836 4.3850 4.4278 4.4591 4.9459 4.9478 4.9843 4.9856 k = 0.4583 0.4583-0.0000 ( 8332 PWs) bands (ev): -17.2917 -17.2916 -17.2768 -17.2762 -17.2717 -17.2714 -17.2707 -17.2704 -8.6298 -8.6267 -8.6085 -8.6016 -8.4552 -8.4483 -8.4017 -8.3982 -8.0208 -8.0159 -7.9773 -7.9708 -7.3743 -7.3680 -7.3623 -7.3602 -7.3121 -7.3050 -7.2983 -7.2968 -6.9261 -6.9181 -6.7145 -6.7006 -4.8713 -4.8704 -4.8488 -4.8378 -4.1336 -4.1327 -3.7490 -3.7480 -3.7328 -3.7289 -3.4925 -3.4910 -3.1980 -3.1976 -3.1881 -3.1878 -3.1395 -3.1324 -3.0781 -3.0776 -3.0745 -3.0717 -2.4990 -2.4968 -2.0972 -2.0924 -2.0840 -2.0832 4.1170 4.1201 4.2961 4.3328 4.3860 4.3877 4.4503 4.4822 4.9178 4.9206 4.9778 4.9788 k = 0.4444 0.4444-0.0000 ( 8328 PWs) bands (ev): -17.2921 -17.2920 -17.2771 -17.2764 -17.2715 -17.2713 -17.2702 -17.2699 -8.6326 -8.6299 -8.6042 -8.5963 -8.4645 -8.4568 -8.3933 -8.3902 -8.0283 -8.0238 -7.9705 -7.9639 -7.3757 -7.3682 -7.3619 -7.3600 -7.3133 -7.3038 -7.2986 -7.2963 -6.9282 -6.9180 -6.7145 -6.6964 -4.8720 -4.8706 -4.8512 -4.8364 -4.1394 -4.1381 -3.7439 -3.7428 -3.7278 -3.7227 -3.4917 -3.4897 -3.2028 -3.2025 -3.1889 -3.1881 -3.1396 -3.1312 -3.0804 -3.0802 -3.0746 -3.0715 -2.4966 -2.4939 -2.0994 -2.0948 -2.0825 -2.0819 4.1130 4.1169 4.2728 4.3099 4.3893 4.3912 4.4741 4.5054 4.8877 4.8908 4.9689 4.9714 k = 0.4306 0.4306-0.0000 ( 8332 PWs) bands (ev): -17.2925 -17.2924 -17.2774 -17.2766 -17.2713 -17.2711 -17.2697 -17.2693 -8.6352 -8.6330 -8.5997 -8.5906 -8.4740 -8.4652 -8.3851 -8.3824 -8.0360 -8.0318 -7.9640 -7.9572 -7.3772 -7.3692 -7.3611 -7.3601 -7.3146 -7.3024 -7.2989 -7.2955 -6.9314 -6.9193 -6.7124 -6.6910 -4.8731 -4.8708 -4.8537 -4.8352 -4.1468 -4.1449 -3.7374 -3.7363 -3.7212 -3.7150 -3.4904 -3.4880 -3.2081 -3.2079 -3.1900 -3.1886 -3.1401 -3.1307 -3.0836 -3.0834 -3.0747 -3.0713 -2.4933 -2.4901 -2.1023 -2.0982 -2.0817 -2.0796 4.1080 4.1127 4.2498 4.2868 4.3932 4.3953 4.4983 4.5285 4.8566 4.8598 4.9586 4.9621 k = 0.4167 0.4167-0.0000 ( 8342 PWs) bands (ev): -17.2931 -17.2930 -17.2775 -17.2768 -17.2711 -17.2710 -17.2692 -17.2688 -8.6377 -8.6358 -8.5950 -8.5847 -8.4834 -8.4734 -8.3770 -8.3746 -8.0436 -8.0398 -7.9575 -7.9508 -7.3787 -7.3705 -7.3603 -7.3603 -7.3158 -7.3010 -7.2991 -7.2946 -6.9361 -6.9229 -6.7076 -6.6835 -4.8744 -4.8712 -4.8564 -4.8344 -4.1558 -4.1533 -3.7297 -3.7286 -3.7128 -3.7058 -3.4887 -3.4858 -3.2139 -3.2131 -3.1912 -3.1893 -3.1411 -3.1311 -3.0876 -3.0871 -3.0748 -3.0712 -2.4888 -2.4853 -2.1060 -2.1023 -2.0809 -2.0772 4.1022 4.1075 4.2272 4.2637 4.3974 4.3997 4.5224 4.5513 4.8252 4.8284 4.9470 4.9512 k = 0.4028 0.4028-0.0000 ( 8322 PWs) bands (ev): -17.2938 -17.2937 -17.2776 -17.2768 -17.2709 -17.2708 -17.2687 -17.2682 -8.6399 -8.6382 -8.5903 -8.5783 -8.4929 -8.4814 -8.3691 -8.3670 -8.0511 -8.0477 -7.9512 -7.9445 -7.3803 -7.3721 -7.3607 -7.3597 -7.3169 -7.2999 -7.2988 -7.2936 -6.9428 -6.9293 -6.6994 -6.6737 -4.8759 -4.8716 -4.8594 -4.8337 -4.1664 -4.1631 -3.7210 -3.7199 -3.7027 -3.6951 -3.4864 -3.4831 -3.2199 -3.2182 -3.1925 -3.1902 -3.1427 -3.1325 -3.0921 -3.0914 -3.0749 -3.0711 -2.4833 -2.4795 -2.1104 -2.1071 -2.0802 -2.0752 4.0957 4.1013 4.2055 4.2410 4.4015 4.4040 4.5464 4.5738 4.7940 4.7971 4.9341 4.9387 k = 0.3889 0.3889-0.0000 ( 8330 PWs) bands (ev): -17.2946 -17.2945 -17.2776 -17.2768 -17.2707 -17.2706 -17.2682 -17.2677 -8.6420 -8.6407 -8.5856 -8.5716 -8.5024 -8.4890 -8.3614 -8.3596 -8.0587 -8.0556 -7.9451 -7.9385 -7.3822 -7.3741 -7.3613 -7.3593 -7.3178 -7.3000 -7.2973 -7.2923 -6.9519 -6.9389 -6.6874 -6.6610 -4.8779 -4.8722 -4.8626 -4.8335 -4.1787 -4.1746 -3.7112 -3.7101 -3.6909 -3.6831 -3.4835 -3.4799 -3.2258 -3.2231 -3.1939 -3.1913 -3.1450 -3.1349 -3.0973 -3.0964 -3.0751 -3.0711 -2.4767 -2.4729 -2.1157 -2.1127 -2.0799 -2.0738 4.0885 4.0940 4.1845 4.2187 4.4051 4.4077 4.5699 4.5957 4.7638 4.7667 4.9200 4.9249 k = 0.3750 0.3750-0.0000 ( 8326 PWs) bands (ev): -17.2955 -17.2954 -17.2774 -17.2767 -17.2705 -17.2704 -17.2676 -17.2672 -8.6440 -8.6429 -8.5812 -8.5646 -8.5118 -8.4959 -8.3538 -8.3522 -8.0661 -8.0634 -7.9391 -7.9326 -7.3841 -7.3761 -7.3622 -7.3594 -7.3185 -7.3003 -7.2953 -7.2908 -6.9634 -6.9515 -6.6717 -6.6454 -4.8801 -4.8729 -4.8659 -4.8336 -4.1927 -4.1876 -3.7004 -3.6992 -3.6775 -3.6698 -3.4800 -3.4761 -3.2314 -3.2278 -3.1955 -3.1926 -3.1479 -3.1381 -3.1030 -3.1018 -3.0754 -3.0712 -2.4690 -2.4653 -2.1218 -2.1189 -2.0803 -2.0731 4.0806 4.0858 4.1647 4.1970 4.4072 4.4099 4.5929 4.6170 4.7354 4.7381 4.9047 4.9098 k = 0.3611 0.3611-0.0000 ( 8336 PWs) bands (ev): -17.2965 -17.2964 -17.2771 -17.2764 -17.2702 -17.2701 -17.2672 -17.2667 -8.6458 -8.6450 -8.5775 -8.5574 -8.5212 -8.5018 -8.3463 -8.3450 -8.0735 -8.0712 -7.9333 -7.9269 -7.3862 -7.3784 -7.3633 -7.3600 -7.3189 -7.3007 -7.2932 -7.2893 -6.9774 -6.9669 -6.6523 -6.6268 -4.8826 -4.8739 -4.8696 -4.8342 -4.2084 -4.2023 -3.6887 -3.6874 -3.6626 -3.6552 -3.4757 -3.4716 -3.2368 -3.2321 -3.1971 -3.1939 -3.1513 -3.1420 -3.1091 -3.1077 -3.0757 -3.0713 -2.4604 -2.4570 -2.1286 -2.1259 -2.0815 -2.0734 4.0722 4.0765 4.1461 4.1760 4.4072 4.4098 4.6150 4.6373 4.7099 4.7122 4.8883 4.8934 k = 0.3472 0.3472-0.0000 ( 8328 PWs) bands (ev): -17.2976 -17.2975 -17.2768 -17.2761 -17.2699 -17.2698 -17.2667 -17.2663 -8.6476 -8.6469 -8.5747 -8.5499 -8.5302 -8.5063 -8.3389 -8.3379 -8.0807 -8.0787 -7.9275 -7.9213 -7.3886 -7.3809 -7.3646 -7.3610 -7.3191 -7.3011 -7.2909 -7.2875 -6.9935 -6.9847 -6.6295 -6.6052 -4.8854 -4.8752 -4.8732 -4.8352 -4.2259 -4.2189 -3.6760 -3.6745 -3.6462 -3.6395 -3.4706 -3.4663 -3.2419 -3.2359 -3.1988 -3.1954 -3.1550 -3.1463 -3.1156 -3.1140 -3.0761 -3.0716 -2.4511 -2.4480 -2.1362 -2.1335 -2.0837 -2.0749 4.0634 4.0663 4.1290 4.1559 4.4039 4.4063 4.6360 4.6565 4.6883 4.6901 4.8709 4.8760 k = 0.3333 0.3333-0.0000 ( 8346 PWs) bands (ev): -17.2988 -17.2987 -17.2763 -17.2757 -17.2696 -17.2695 -17.2663 -17.2659 -8.6492 -8.6487 -8.5734 -8.5441 -8.5372 -8.5088 -8.3317 -8.3309 -8.0879 -8.0862 -7.9219 -7.9159 -7.3912 -7.3837 -7.3662 -7.3626 -7.3192 -7.3017 -7.2885 -7.2855 -7.0117 -7.0046 -6.6038 -6.5808 -4.8886 -4.8781 -4.8758 -4.8368 -4.2453 -4.2373 -3.6623 -3.6608 -3.6285 -3.6228 -3.4646 -3.4602 -3.2465 -3.2393 -3.2006 -3.1970 -3.1588 -3.1509 -3.1225 -3.1208 -3.0766 -3.0721 -2.4413 -2.4386 -2.1445 -2.1419 -2.0871 -2.0778 4.0542 4.0553 4.1133 4.1368 4.3964 4.3984 4.6555 4.6701 4.6729 4.6756 4.8523 4.8574 k = 0.3194 0.3194-0.0000 ( 8332 PWs) bands (ev): -17.3000 -17.2999 -17.2758 -17.2752 -17.2693 -17.2692 -17.2659 -17.2655 -8.6507 -8.6503 -8.5740 -8.5499 -8.5320 -8.5088 -8.3246 -8.3239 -8.0948 -8.0933 -7.9163 -7.9106 -7.3940 -7.3866 -7.3679 -7.3645 -7.3193 -7.3024 -7.2860 -7.2835 -7.0315 -7.0261 -6.5753 -6.5538 -4.8919 -4.8822 -4.8775 -4.8388 -4.2666 -4.2576 -3.6478 -3.6461 -3.6096 -3.6049 -3.4578 -3.4533 -3.2507 -3.2423 -3.2024 -3.1986 -3.1626 -3.1555 -3.1297 -3.1277 -3.0770 -3.0725 -2.4311 -2.4289 -2.1534 -2.1508 -2.0917 -2.0820 4.0436 4.0447 4.0991 4.1187 4.3841 4.3855 4.6599 4.6600 4.6743 4.6905 4.8329 4.8381 k = 0.3056 0.3056-0.0000 ( 8316 PWs) bands (ev): -17.3013 -17.3012 -17.2752 -17.2746 -17.2690 -17.2689 -17.2656 -17.2652 -8.6520 -8.6518 -8.5766 -8.5584 -8.5236 -8.5065 -8.3175 -8.3170 -8.1015 -8.1004 -7.9108 -7.9054 -7.3971 -7.3899 -7.3697 -7.3667 -7.3195 -7.3033 -7.2834 -7.2812 -7.0525 -7.0487 -6.5444 -6.5244 -4.8954 -4.8867 -4.8792 -4.8412 -4.2898 -4.2799 -3.6323 -3.6307 -3.5895 -3.5862 -3.4501 -3.4455 -3.2543 -3.2448 -3.2041 -3.2003 -3.1662 -3.1599 -3.1370 -3.1349 -3.0775 -3.0731 -2.4209 -2.4192 -2.1631 -2.1604 -2.0977 -2.0877 4.0317 4.0350 4.0862 4.1018 4.3671 4.3679 4.6536 4.6540 4.6898 4.7040 4.8128 4.8182 k = 0.2917 0.2917-0.0000 ( 8334 PWs) bands (ev): -17.3025 -17.3025 -17.2746 -17.2741 -17.2687 -17.2686 -17.2653 -17.2649 -8.6533 -8.6532 -8.5808 -8.5671 -8.5147 -8.5021 -8.3105 -8.3102 -8.1082 -8.1072 -7.9054 -7.9002 -7.4005 -7.3934 -7.3719 -7.3692 -7.3202 -7.3047 -7.2808 -7.2790 -7.0744 -7.0721 -6.5113 -6.4929 -4.8992 -4.8914 -4.8812 -4.8442 -4.3150 -4.3043 -3.6161 -3.6144 -3.5685 -3.5666 -3.4416 -3.4370 -3.2575 -3.2468 -3.2059 -3.2020 -3.1695 -3.1639 -3.1446 -3.1421 -3.0781 -3.0739 -2.4108 -2.4098 -2.1733 -2.1705 -2.1052 -2.0949 4.0198 4.0253 4.0743 4.0862 4.3458 4.3461 4.6516 4.6527 4.7028 4.7144 4.7925 4.7985 k = 0.2778 0.2778-0.0000 ( 8326 PWs) bands (ev): -17.3038 -17.3038 -17.2739 -17.2734 -17.2683 -17.2682 -17.2650 -17.2646 -8.6545 -8.6545 -8.5860 -8.5755 -8.5055 -8.4962 -8.3036 -8.3034 -8.1146 -8.1138 -7.8999 -7.8950 -7.4043 -7.3972 -7.3741 -7.3719 -7.3213 -7.3065 -7.2780 -7.2766 -7.0967 -7.0957 -6.4763 -6.4594 -4.9031 -4.8961 -4.8833 -4.8475 -4.3421 -4.3307 -3.5991 -3.5975 -3.5467 -3.5463 -3.4321 -3.4277 -3.2601 -3.2482 -3.2077 -3.2038 -3.1726 -3.1674 -3.1522 -3.1492 -3.0788 -3.0749 -2.4012 -2.4007 -2.1841 -2.1812 -2.1141 -2.1037 4.0084 4.0158 4.0633 4.0717 4.3213 4.3215 4.6532 4.6550 4.7115 4.7196 4.7736 4.7811 k = 0.2639 0.2639-0.0000 ( 8324 PWs) bands (ev): -17.3051 -17.3051 -17.2733 -17.2727 -17.2680 -17.2679 -17.2647 -17.2644 -8.6557 -8.6557 -8.5918 -8.5837 -8.4961 -8.4891 -8.2966 -8.2965 -8.1208 -8.1202 -7.8944 -7.8899 -7.4085 -7.4015 -7.3764 -7.3747 -7.3233 -7.3092 -7.2753 -7.2741 -7.1190 -7.1189 -6.4397 -6.4242 -4.9072 -4.9011 -4.8856 -4.8511 -4.3711 -4.3590 -3.5815 -3.5799 -3.5254 -3.5241 -3.4219 -3.4175 -3.2621 -3.2491 -3.2094 -3.2055 -3.1754 -3.1702 -3.1598 -3.1561 -3.0796 -3.0760 -2.3921 -2.3921 -2.1955 -2.1924 -2.1243 -2.1140 3.9976 4.0065 4.0530 4.0584 4.2944 4.2950 4.6574 4.6598 4.7121 4.7158 4.7599 4.7698 k = 0.2500 0.2500-0.0000 ( 8322 PWs) bands (ev): -17.3064 -17.3064 -17.2725 -17.2720 -17.2676 -17.2675 -17.2645 -17.2642 -8.6569 -8.6568 -8.5980 -8.5916 -8.4865 -8.4813 -8.2897 -8.2897 -8.1268 -8.1263 -7.8889 -7.8847 -7.4132 -7.4063 -7.3788 -7.3775 -7.3263 -7.3129 -7.2725 -7.2716 -7.1415 -7.1405 -6.4015 -6.3874 -4.9113 -4.9060 -4.8880 -4.8551 -4.4018 -4.3892 -3.5632 -3.5617 -3.5041 -3.5012 -3.4108 -3.4066 -3.2634 -3.2494 -3.2111 -3.2072 -3.1783 -3.1725 -3.1672 -3.1622 -3.0805 -3.0773 -2.3844 -2.3837 -2.2073 -2.2040 -2.1360 -2.1258 3.9877 3.9976 4.0433 4.0461 4.2664 4.2673 4.6631 4.6663 4.7005 4.7014 4.7558 4.7666 k = 0.2361 0.2361-0.0000 ( 8326 PWs) bands (ev): -17.3077 -17.3077 -17.2718 -17.2713 -17.2673 -17.2672 -17.2643 -17.2640 -8.6579 -8.6578 -8.6042 -8.5992 -8.4768 -8.4729 -8.2828 -8.2827 -8.1326 -8.1322 -7.8834 -7.8795 -7.4186 -7.4119 -7.3813 -7.3803 -7.3306 -7.3180 -7.2698 -7.2691 -7.1623 -7.1606 -6.3620 -6.3493 -4.9156 -4.9110 -4.8906 -4.8593 -4.4342 -4.4212 -3.5445 -3.5431 -3.4825 -3.4781 -3.3989 -3.3951 -3.2638 -3.2491 -3.2128 -3.2089 -3.1820 -3.1762 -3.1723 -3.1669 -3.0816 -3.0788 -2.3775 -2.3763 -2.2195 -2.2161 -2.1490 -2.1390 3.9789 3.9894 4.0342 4.0349 4.2380 4.2391 4.6681 4.6737 4.6806 4.6825 4.7574 4.7673 k = 0.2222 0.2222-0.0000 ( 8316 PWs) bands (ev): -17.3090 -17.3090 -17.2711 -17.2706 -17.2669 -17.2668 -17.2642 -17.2639 -8.6589 -8.6587 -8.6104 -8.6065 -8.4671 -8.4642 -8.2759 -8.2757 -8.1381 -8.1379 -7.8777 -7.8741 -7.4250 -7.4185 -7.3837 -7.3831 -7.3364 -7.3247 -7.2671 -7.2665 -7.1809 -7.1788 -6.3215 -6.3101 -4.9199 -4.9160 -4.8932 -4.8636 -4.4681 -4.4548 -3.5254 -3.5242 -3.4611 -3.4551 -3.3863 -3.3830 -3.2634 -3.2479 -3.2145 -3.2105 -3.1867 -3.1830 -3.1734 -3.1697 -3.0828 -3.0805 -2.3717 -2.3700 -2.2319 -2.2283 -2.1631 -2.1534 3.9711 3.9819 4.0247 4.0255 4.2097 4.2109 4.6548 4.6571 4.6803 4.6816 4.7600 4.7688 k = 0.2083 0.2083-0.0000 ( 8320 PWs) bands (ev): -17.3102 -17.3102 -17.2703 -17.2699 -17.2666 -17.2665 -17.2640 -17.2637 -8.6598 -8.6596 -8.6165 -8.6134 -8.4574 -8.4553 -8.2689 -8.2687 -8.1435 -8.1433 -7.8720 -7.8687 -7.4327 -7.4266 -7.3861 -7.3858 -7.3438 -7.3332 -7.2645 -7.2640 -7.1966 -7.1944 -6.2801 -6.2700 -4.9241 -4.9209 -4.8959 -4.8681 -4.5033 -4.4898 -3.5060 -3.5050 -3.4400 -3.4326 -3.3731 -3.3704 -3.2619 -3.2459 -3.2162 -3.2121 -3.1922 -3.1900 -3.1732 -3.1707 -3.0843 -3.0824 -2.3669 -2.3648 -2.2446 -2.2408 -2.1783 -2.1690 3.9645 3.9752 4.0153 4.0173 4.1818 4.1832 4.6311 4.6325 4.6874 4.6896 4.7622 4.7699 k = 0.1944 0.1944-0.0000 ( 8322 PWs) bands (ev): -17.3114 -17.3114 -17.2696 -17.2692 -17.2662 -17.2661 -17.2639 -17.2636 -8.6606 -8.6604 -8.6224 -8.6200 -8.4479 -8.4464 -8.2619 -8.2616 -8.1486 -8.1485 -7.8660 -7.8631 -7.4422 -7.4366 -7.3885 -7.3884 -7.3523 -7.3431 -7.2619 -7.2616 -7.2092 -7.2071 -6.2381 -6.2292 -4.9284 -4.9257 -4.8986 -4.8726 -4.5396 -4.5260 -3.4865 -3.4857 -3.4197 -3.4111 -3.3594 -3.3574 -3.2591 -3.2429 -3.2181 -3.2136 -3.1979 -3.1967 -3.1722 -3.1705 -3.0860 -3.0846 -2.3634 -2.3608 -2.2575 -2.2535 -2.1943 -2.1854 3.9590 3.9693 4.0066 4.0095 4.1548 4.1563 4.6065 4.6075 4.6949 4.6974 4.7635 4.7702 k = 0.1806 0.1806-0.0000 ( 8324 PWs) bands (ev): -17.3125 -17.3125 -17.2689 -17.2686 -17.2659 -17.2658 -17.2638 -17.2635 -8.6614 -8.6611 -8.6281 -8.6261 -8.4385 -8.4375 -8.2547 -8.2545 -8.1535 -8.1534 -7.8598 -7.8572 -7.4539 -7.4491 -7.3909 -7.3908 -7.3612 -7.3536 -7.2594 -7.2592 -7.2188 -7.2170 -6.1957 -6.1880 -4.9325 -4.9304 -4.9013 -4.8772 -4.5766 -4.5632 -3.4669 -3.4665 -3.4005 -3.3912 -3.3454 -3.3442 -3.2547 -3.2387 -3.2200 -3.2151 -3.2033 -3.2028 -3.1705 -3.1695 -3.0879 -3.0870 -2.3610 -2.3582 -2.2702 -2.2661 -2.2110 -2.2026 3.9546 3.9645 3.9987 4.0022 4.1289 4.1304 4.5818 4.5827 4.7023 4.7049 4.7640 4.7698 k = 0.1667 0.1667-0.0000 ( 8326 PWs) bands (ev): -17.3136 -17.3136 -17.2683 -17.2679 -17.2656 -17.2655 -17.2637 -17.2635 -8.6621 -8.6618 -8.6334 -8.6319 -8.4295 -8.4288 -8.2476 -8.2474 -8.1581 -8.1580 -7.8533 -7.8511 -7.4683 -7.4643 -7.3933 -7.3930 -7.3697 -7.3638 -7.2571 -7.2569 -7.2258 -7.2244 -6.1532 -6.1466 -4.9366 -4.9349 -4.9040 -4.8818 -4.6142 -4.6009 -3.4475 -3.4474 -3.3830 -3.3734 -3.3313 -3.3309 -3.2482 -3.2335 -3.2223 -3.2165 -3.2080 -3.2080 -3.1683 -3.1679 -3.0901 -3.0898 -2.3599 -2.3568 -2.2829 -2.2786 -2.2280 -2.2203 3.9512 3.9605 3.9915 3.9954 4.1044 4.1058 4.5576 4.5583 4.7093 4.7120 4.7638 4.7688 k = 0.1528 0.1528-0.0000 ( 8346 PWs) bands (ev): -17.3146 -17.3146 -17.2676 -17.2673 -17.2653 -17.2652 -17.2636 -17.2634 -8.6628 -8.6625 -8.6384 -8.6373 -8.4208 -8.4203 -8.2405 -8.2403 -8.1624 -8.1624 -7.8465 -7.8446 -7.4853 -7.4822 -7.3955 -7.3952 -7.3773 -7.3729 -7.2549 -7.2548 -7.2308 -7.2298 -6.1108 -6.1052 -4.9405 -4.9391 -4.9067 -4.8863 -4.6519 -4.6389 -3.4287 -3.4285 -3.3676 -3.3582 -3.3175 -3.3174 -3.2395 -3.2281 -3.2249 -3.2178 -3.2118 -3.2113 -3.1656 -3.1655 -3.0928 -3.0927 -2.3601 -2.3568 -2.2951 -2.2907 -2.2453 -2.2382 3.9488 3.9573 3.9850 3.9891 4.0812 4.0827 4.5341 4.5347 4.7159 4.7184 4.7630 4.7674 k = 0.1389 0.1389-0.0000 ( 8346 PWs) bands (ev): -17.3156 -17.3156 -17.2671 -17.2668 -17.2650 -17.2649 -17.2635 -17.2634 -8.6633 -8.6631 -8.6431 -8.6422 -8.4125 -8.4123 -8.2334 -8.2332 -8.1665 -8.1665 -7.8393 -7.8376 -7.5047 -7.5023 -7.3976 -7.3972 -7.3837 -7.3806 -7.2528 -7.2527 -7.2344 -7.2336 -6.0689 -6.0643 -4.9442 -4.9432 -4.9095 -4.8909 -4.6894 -4.6768 -3.4105 -3.4100 -3.3545 -3.3457 -3.3042 -3.3039 -3.2299 -3.2263 -3.2261 -3.2185 -3.2146 -3.2095 -3.1630 -3.1622 -3.0962 -3.0955 -2.3614 -2.3581 -2.3068 -2.3024 -2.2624 -2.2560 3.9472 3.9550 3.9791 3.9832 4.0598 4.0612 4.5117 4.5121 4.7219 4.7243 4.7618 4.7656 k = 0.1250 0.1250-0.0000 ( 8320 PWs) bands (ev): -17.3165 -17.3165 -17.2665 -17.2663 -17.2647 -17.2646 -17.2635 -17.2633 -8.6638 -8.6635 -8.6472 -8.6466 -8.4048 -8.4046 -8.2263 -8.2262 -8.1702 -8.1701 -7.8315 -7.8301 -7.5257 -7.5239 -7.3994 -7.3990 -7.3890 -7.3868 -7.2508 -7.2507 -7.2368 -7.2363 -6.0279 -6.0242 -4.9476 -4.9468 -4.9123 -4.8956 -4.7260 -4.7140 -3.3931 -3.3923 -3.3439 -3.3360 -3.2911 -3.2909 -3.2311 -3.2279 -3.2193 -3.2179 -3.2137 -3.2015 -3.1599 -3.1585 -3.0998 -3.0987 -2.3639 -2.3608 -2.3176 -2.3134 -2.2790 -2.2733 3.9464 3.9534 3.9739 3.9779 4.0400 4.0414 4.4905 4.4908 4.7274 4.7296 4.7603 4.7636 k = 0.1111 0.1111-0.0000 ( 8315 PWs) bands (ev): -17.3173 -17.3173 -17.2660 -17.2658 -17.2645 -17.2644 -17.2634 -17.2633 -8.6642 -8.6640 -8.6510 -8.6506 -8.3976 -8.3976 -8.2194 -8.2194 -8.1736 -8.1736 -7.8231 -7.8220 -7.5478 -7.5464 -7.4011 -7.4006 -7.3933 -7.3918 -7.2490 -7.2490 -7.2385 -7.2382 -5.9882 -5.9854 -4.9508 -4.9502 -4.9153 -4.9005 -4.7612 -4.7499 -3.3767 -3.3756 -3.3355 -3.3288 -3.2786 -3.2785 -3.2334 -3.2303 -3.2202 -3.2188 -3.2005 -3.1911 -3.1565 -3.1546 -3.1037 -3.1023 -2.3676 -2.3647 -2.3274 -2.3234 -2.2949 -2.2900 3.9462 3.9524 3.9693 3.9731 4.0222 4.0234 4.4709 4.4711 4.7322 4.7343 4.7587 4.7615 k = 0.0972 0.0972-0.0000 ( 8325 PWs) bands (ev): -17.3180 -17.3180 -17.2656 -17.2655 -17.2642 -17.2641 -17.2633 -17.2633 -8.6647 -8.6644 -8.6545 -8.6542 -8.3912 -8.3912 -8.2129 -8.2129 -8.1767 -8.1767 -7.8141 -7.8132 -7.5704 -7.5694 -7.4027 -7.4022 -7.3969 -7.3960 -7.2474 -7.2474 -7.2397 -7.2395 -5.9504 -5.9483 -4.9537 -4.9533 -4.9188 -4.9060 -4.7941 -4.7839 -3.3618 -3.3604 -3.3291 -3.3235 -3.2668 -3.2668 -3.2350 -3.2321 -3.2210 -3.2199 -3.1864 -3.1798 -3.1529 -3.1504 -3.1079 -3.1062 -2.3722 -2.3698 -2.3358 -2.3324 -2.3098 -2.3055 3.9465 3.9518 3.9653 3.9688 4.0062 4.0074 4.4529 4.4531 4.7365 4.7384 4.7571 4.7594 k = 0.0833 0.0833-0.0000 ( 8321 PWs) bands (ev): -17.3186 -17.3186 -17.2653 -17.2652 -17.2639 -17.2639 -17.2633 -17.2632 -8.6650 -8.6648 -8.6575 -8.6572 -8.3855 -8.3855 -8.2068 -8.2068 -8.1795 -8.1795 -7.8044 -7.8037 -7.5930 -7.5923 -7.4040 -7.4036 -7.3999 -7.3992 -7.2460 -7.2460 -7.2405 -7.2404 -5.9150 -5.9136 -4.9562 -4.9560 -4.9229 -4.9124 -4.8235 -4.8147 -3.3485 -3.3470 -3.3243 -3.3198 -3.2562 -3.2561 -3.2355 -3.2328 -3.2216 -3.2209 -3.1730 -3.1687 -3.1491 -3.1462 -3.1123 -3.1104 -2.3775 -2.3758 -2.3430 -2.3402 -2.3232 -2.3197 3.9471 3.9516 3.9619 3.9650 3.9923 3.9934 4.4369 4.4370 4.7402 4.7418 4.7555 4.7574 k = 0.0694 0.0694-0.0000 ( 8317 PWs) bands (ev): -17.3191 -17.3191 -17.2650 -17.2649 -17.2637 -17.2637 -17.2632 -17.2632 -8.6653 -8.6651 -8.6600 -8.6599 -8.3806 -8.3806 -8.2013 -8.2013 -8.1819 -8.1818 -7.7938 -7.7933 -7.6152 -7.6147 -7.4051 -7.4048 -7.4023 -7.4019 -7.2447 -7.2447 -7.2411 -7.2410 -5.8829 -5.8820 -4.9585 -4.9583 -4.9285 -4.9206 -4.8479 -4.8411 -3.3372 -3.3357 -3.3206 -3.3171 -3.2471 -3.2469 -3.2347 -3.2324 -3.2221 -3.2216 -3.1608 -3.1584 -3.1452 -3.1421 -3.1167 -3.1148 -2.3832 -2.3822 -2.3488 -2.3467 -2.3349 -2.3321 3.9479 3.9514 3.9592 3.9618 3.9805 3.9814 4.4230 4.4230 4.7433 4.7447 4.7540 4.7556 k = 0.0556 0.0556-0.0000 ( 8319 PWs) bands (ev): -17.3196 -17.3196 -17.2648 -17.2648 -17.2635 -17.2635 -17.2632 -17.2631 -8.6655 -8.6654 -8.6621 -8.6620 -8.3766 -8.3765 -8.1966 -8.1966 -8.1838 -8.1838 -7.7824 -7.7821 -7.6366 -7.6363 -7.4061 -7.4058 -7.4043 -7.4040 -7.2437 -7.2437 -7.2414 -7.2414 -5.8548 -5.8543 -4.9603 -4.9602 -4.9359 -4.9311 -4.8660 -4.8617 -3.3282 -3.3268 -3.3179 -3.3152 -3.2398 -3.2395 -3.2324 -3.2306 -3.2224 -3.2221 -3.1505 -3.1494 -3.1414 -3.1382 -3.1210 -3.1193 -2.3888 -2.3883 -2.3536 -2.3521 -2.3446 -2.3425 3.9487 3.9512 3.9573 3.9591 3.9708 3.9717 4.4113 4.4114 4.7459 4.7470 4.7528 4.7540 k = 0.0417 0.0417-0.0000 ( 8327 PWs) bands (ev): -17.3199 -17.3199 -17.2647 -17.2646 -17.2633 -17.2633 -17.2631 -17.2631 -8.6657 -8.6656 -8.6638 -8.6637 -8.3734 -8.3734 -8.1927 -8.1927 -8.1854 -8.1854 -7.7702 -7.7701 -7.6569 -7.6567 -7.4068 -7.4066 -7.4058 -7.4056 -7.2429 -7.2429 -7.2417 -7.2417 -5.8316 -5.8314 -4.9618 -4.9617 -4.9451 -4.9429 -4.8777 -4.8757 -3.3214 -3.3203 -3.3159 -3.3139 -3.2345 -3.2344 -3.2288 -3.2277 -3.2225 -3.2223 -3.1423 -3.1420 -3.1379 -3.1350 -3.1248 -3.1234 -2.3939 -2.3936 -2.3572 -2.3563 -2.3523 -2.3508 3.9494 3.9507 3.9561 3.9571 3.9634 3.9641 4.4021 4.4021 4.7479 4.7487 4.7518 4.7527 k = 0.0278 0.0278-0.0000 ( 8337 PWs) bands (ev): -17.3202 -17.3202 -17.2646 -17.2646 -17.2632 -17.2632 -17.2631 -17.2631 -8.6658 -8.6658 -8.6650 -8.6649 -8.3711 -8.3711 -8.1898 -8.1898 -8.1865 -8.1865 -7.7578 -7.7577 -7.6753 -7.6752 -7.4073 -7.4072 -7.4069 -7.4068 -7.2424 -7.2424 -7.2418 -7.2418 -5.8143 -5.8142 -4.9628 -4.9628 -4.9544 -4.9537 -4.8845 -4.8839 -3.3168 -3.3160 -3.3144 -3.3132 -3.2312 -3.2312 -3.2251 -3.2247 -3.2223 -3.2222 -3.1368 -3.1366 -3.1350 -3.1327 -3.1276 -3.1268 -2.3978 -2.3978 -2.3599 -2.3593 -2.3578 -2.3568 3.9495 3.9499 3.9555 3.9558 3.9584 3.9589 4.3954 4.3954 4.7493 4.7499 4.7511 4.7517 k = 0.0139 0.0139-0.0000 ( 8337 PWs) bands (ev): -17.3203 -17.3203 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6659 -8.6658 -8.6657 -8.6657 -8.3697 -8.3697 -8.1880 -8.1880 -8.1872 -8.1872 -7.7465 -7.7464 -7.6903 -7.6903 -7.4076 -7.4075 -7.4075 -7.4075 -7.2420 -7.2420 -7.2419 -7.2419 -5.8036 -5.8035 -4.9635 -4.9635 -4.9612 -4.9611 -4.8880 -4.8880 -3.3141 -3.3137 -3.3135 -3.3129 -3.2294 -3.2294 -3.2226 -3.2225 -3.2219 -3.2219 -3.1337 -3.1335 -3.1333 -3.1320 -3.1286 -3.1285 -2.4004 -2.4004 -2.3615 -2.3612 -2.3610 -2.3605 3.9491 3.9491 3.9552 3.9552 3.9558 3.9560 4.3914 4.3914 4.7503 4.7505 4.7507 4.7510 k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -17.3204 -17.3204 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6659 -8.6659 -8.6659 -8.6659 -8.3692 -8.3692 -8.1877 -8.1877 -8.1877 -8.1877 -7.7412 -7.7412 -7.6970 -7.6970 -7.4077 -7.4077 -7.4077 -7.4077 -7.2421 -7.2421 -7.2421 -7.2421 -5.7999 -5.7999 -4.9637 -4.9637 -4.9637 -4.9637 -4.8892 -4.8892 -3.3131 -3.3131 -3.3131 -3.3131 -3.2288 -3.2288 -3.2217 -3.2217 -3.2217 -3.2217 -3.1328 -3.1328 -3.1328 -3.1328 -3.1286 -3.1286 -2.4013 -2.4013 -2.3620 -2.3620 -2.3620 -2.3620 3.9487 3.9487 3.9550 3.9550 3.9550 3.9550 4.3900 4.3900 4.7506 4.7506 4.7506 4.7506 k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -17.3204 -17.3204 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6659 -8.6659 -8.6659 -8.6659 -8.3692 -8.3692 -8.1877 -8.1877 -8.1877 -8.1877 -7.7412 -7.7412 -7.6970 -7.6970 -7.4077 -7.4077 -7.4077 -7.4077 -7.2421 -7.2421 -7.2421 -7.2421 -5.7999 -5.7999 -4.9637 -4.9637 -4.9637 -4.9637 -4.8892 -4.8892 -3.3131 -3.3131 -3.3131 -3.3131 -3.2288 -3.2288 -3.2217 -3.2217 -3.2217 -3.2217 -3.1328 -3.1328 -3.1328 -3.1328 -3.1286 -3.1286 -2.4013 -2.4013 -2.3620 -2.3620 -2.3620 -2.3620 3.9487 3.9487 3.9550 3.9550 3.9550 3.9550 4.3900 4.3900 4.7506 4.7506 4.7506 4.7506 k = 0.0114 0.0114 0.0114 ( 8343 PWs) bands (ev): -17.3203 -17.3203 -17.2645 -17.2645 -17.2631 -17.2631 -17.2631 -17.2631 -8.6659 -8.6659 -8.6656 -8.6656 -8.3697 -8.3697 -8.1878 -8.1878 -8.1875 -8.1875 -7.7465 -7.7465 -7.6903 -7.6903 -7.4076 -7.4075 -7.4075 -7.4075 -7.2420 -7.2420 -7.2419 -7.2419 -5.8036 -5.8036 -4.9635 -4.9635 -4.9611 -4.9611 -4.8880 -4.8880 -3.3139 -3.3137 -3.3137 -3.3130 -3.2294 -3.2294 -3.2226 -3.2225 -3.2219 -3.2219 -3.1339 -3.1339 -3.1331 -3.1318 -3.1285 -3.1285 -2.4004 -2.4004 -2.3612 -2.3612 -2.3612 -2.3606 3.9491 3.9491 3.9552 3.9552 3.9558 3.9561 4.3914 4.3914 4.7504 4.7506 4.7506 4.7509 k = 0.0227 0.0227 0.0227 ( 8343 PWs) bands (ev): -17.3202 -17.3202 -17.2646 -17.2646 -17.2632 -17.2632 -17.2631 -17.2631 -8.6659 -8.6658 -8.6649 -8.6649 -8.3711 -8.3711 -8.1889 -8.1889 -8.1876 -8.1875 -7.7578 -7.7578 -7.6752 -7.6752 -7.4073 -7.4072 -7.4069 -7.4069 -7.2424 -7.2424 -7.2418 -7.2418 -5.8143 -5.8143 -4.9629 -4.9629 -4.9540 -4.9540 -4.8842 -4.8842 -3.3156 -3.3156 -3.3156 -3.3139 -3.2311 -3.2311 -3.2252 -3.2248 -3.2221 -3.2221 -3.1383 -3.1383 -3.1330 -3.1306 -3.1278 -3.1278 -2.3977 -2.3977 -2.3591 -2.3591 -2.3585 -2.3573 3.9493 3.9493 3.9563 3.9563 3.9581 3.9587 4.3955 4.3955 4.7501 4.7505 4.7505 4.7510 k = 0.0341 0.0341 0.0341 ( 8331 PWs) bands (ev): -17.3199 -17.3199 -17.2647 -17.2647 -17.2633 -17.2633 -17.2632 -17.2632 -8.6658 -8.6657 -8.6636 -8.6636 -8.3734 -8.3734 -8.1905 -8.1905 -8.1876 -8.1876 -7.7702 -7.7702 -7.6568 -7.6568 -7.4067 -7.4065 -7.4058 -7.4058 -7.2429 -7.2429 -7.2417 -7.2417 -5.8316 -5.8316 -4.9619 -4.9619 -4.9439 -4.9439 -4.8766 -4.8766 -3.3190 -3.3190 -3.3183 -3.3158 -3.2339 -3.2339 -3.2290 -3.2280 -3.2220 -3.2220 -3.1463 -3.1463 -3.1325 -3.1293 -3.1261 -3.1261 -2.3935 -2.3935 -2.3556 -2.3556 -2.3538 -2.3520 3.9483 3.9483 3.9596 3.9596 3.9622 3.9630 4.4022 4.4022 4.7496 4.7502 4.7502 4.7511 k = 0.0455 0.0455 0.0455 ( 8325 PWs) bands (ev): -17.3196 -17.3196 -17.2648 -17.2648 -17.2634 -17.2634 -17.2632 -17.2632 -8.6658 -8.6656 -8.6618 -8.6618 -8.3767 -8.3767 -8.1927 -8.1927 -8.1877 -8.1877 -7.7821 -7.7821 -7.6365 -7.6365 -7.4060 -7.4056 -7.4042 -7.4042 -7.2437 -7.2437 -7.2415 -7.2415 -5.8547 -5.8547 -4.9605 -4.9605 -4.9334 -4.9334 -4.8635 -4.8635 -3.3243 -3.3243 -3.3224 -3.3192 -3.2370 -3.2370 -3.2334 -3.2316 -3.2215 -3.2215 -3.1575 -3.1575 -3.1317 -3.1281 -3.1241 -3.1241 -2.3878 -2.3878 -2.3508 -2.3508 -2.3473 -2.3451 3.9461 3.9461 3.9650 3.9650 3.9679 3.9690 4.4114 4.4114 4.7491 4.7497 4.7497 4.7511 k = 0.0568 0.0568 0.0568 ( 8319 PWs) bands (ev): -17.3191 -17.3191 -17.2649 -17.2649 -17.2636 -17.2636 -17.2633 -17.2633 -8.6657 -8.6655 -8.6595 -8.6595 -8.3809 -8.3809 -8.1953 -8.1953 -8.1879 -8.1878 -7.7932 -7.7932 -7.6152 -7.6152 -7.4050 -7.4045 -7.4021 -7.4021 -7.2447 -7.2447 -7.2411 -7.2411 -5.8825 -5.8825 -4.9589 -4.9588 -4.9247 -4.9247 -4.8437 -4.8437 -3.3315 -3.3315 -3.3282 -3.3244 -3.2397 -3.2397 -3.2376 -3.2348 -3.2207 -3.2207 -3.1717 -3.1717 -3.1308 -3.1271 -3.1220 -3.1220 -2.3808 -2.3808 -2.3449 -2.3449 -2.3393 -2.3366 3.9432 3.9432 3.9723 3.9723 3.9753 3.9767 4.4231 4.4231 4.7484 4.7491 4.7491 4.7509 k = 0.0682 0.0682 0.0682 ( 8325 PWs) bands (ev): -17.3186 -17.3186 -17.2651 -17.2651 -17.2638 -17.2638 -17.2634 -17.2634 -8.6656 -8.6654 -8.6567 -8.6567 -8.3861 -8.3861 -8.1981 -8.1981 -8.1880 -8.1880 -7.8034 -7.8034 -7.5932 -7.5932 -7.4039 -7.4033 -7.3995 -7.3995 -7.2459 -7.2459 -7.2407 -7.2407 -5.9142 -5.9142 -4.9569 -4.9569 -4.9182 -4.9182 -4.8177 -4.8177 -3.3409 -3.3409 -3.3358 -3.3317 -3.2416 -3.2416 -3.2408 -3.2371 -3.2196 -3.2196 -3.1887 -3.1887 -3.1300 -3.1265 -3.1200 -3.1200 -2.3730 -2.3730 -2.3379 -2.3379 -2.3299 -2.3269 3.9398 3.9398 3.9814 3.9814 3.9843 3.9860 4.4370 4.4370 4.7476 4.7483 4.7483 4.7506 k = 0.0795 0.0795 0.0795 ( 8325 PWs) bands (ev): -17.3180 -17.3180 -17.2654 -17.2654 -17.2640 -17.2640 -17.2635 -17.2635 -8.6655 -8.6652 -8.6534 -8.6534 -8.3922 -8.3922 -8.2011 -8.2011 -8.1882 -8.1881 -7.8126 -7.8126 -7.5710 -7.5710 -7.4025 -7.4019 -7.3961 -7.3961 -7.2473 -7.2473 -7.2399 -7.2399 -5.9489 -5.9489 -4.9548 -4.9547 -4.9133 -4.9133 -4.7869 -4.7869 -3.3521 -3.3521 -3.3452 -3.3412 -3.2426 -3.2425 -3.2425 -3.2383 -3.2183 -3.2183 -3.2082 -3.2082 -3.1293 -3.1262 -3.1183 -3.1183 -2.3646 -2.3646 -2.3300 -2.3300 -2.3195 -2.3162 3.9361 3.9361 3.9922 3.9922 3.9950 3.9969 4.4531 4.4531 4.7465 4.7472 4.7472 4.7501 k = 0.0909 0.0909 0.0909 ( 8319 PWs) bands (ev): -17.3172 -17.3172 -17.2657 -17.2657 -17.2643 -17.2643 -17.2637 -17.2637 -8.6654 -8.6651 -8.6496 -8.6496 -8.3992 -8.3992 -8.2040 -8.2040 -8.1883 -8.1882 -7.8208 -7.8208 -7.5489 -7.5489 -7.4011 -7.4004 -7.3920 -7.3920 -7.2488 -7.2487 -7.2389 -7.2389 -5.9859 -5.9859 -4.9525 -4.9524 -4.9094 -4.9094 -4.7526 -4.7526 -3.3647 -3.3647 -3.3561 -3.3526 -3.2434 -3.2434 -3.2430 -3.2382 -3.2292 -3.2292 -3.2167 -3.2167 -3.1287 -3.1264 -3.1169 -3.1169 -2.3558 -2.3558 -2.3212 -2.3212 -2.3083 -2.3048 3.9323 3.9323 4.0046 4.0046 4.0073 4.0095 4.4711 4.4711 4.7452 4.7458 4.7458 4.7494 k = 0.1023 0.1023 0.1023 ( 8328 PWs) bands (ev): -17.3164 -17.3164 -17.2661 -17.2661 -17.2645 -17.2645 -17.2639 -17.2639 -8.6652 -8.6649 -8.6453 -8.6453 -8.4069 -8.4069 -8.2069 -8.2069 -8.1885 -8.1884 -7.8283 -7.8283 -7.5278 -7.5278 -7.3995 -7.3988 -7.3867 -7.3867 -7.2504 -7.2504 -7.2375 -7.2375 -6.0242 -6.0242 -4.9501 -4.9499 -4.9062 -4.9062 -4.7160 -4.7160 -3.3785 -3.3785 -3.3684 -3.3655 -3.2571 -3.2571 -3.2421 -3.2384 -3.2384 -3.2368 -3.2150 -3.2150 -3.1284 -3.1269 -3.1158 -3.1158 -2.3469 -2.3469 -2.3117 -2.3117 -2.2965 -2.2929 3.9285 3.9285 4.0187 4.0187 4.0212 4.0237 4.4907 4.4907 4.7436 4.7440 4.7440 4.7484 k = 0.1136 0.1136 0.1136 ( 8334 PWs) bands (ev): -17.3156 -17.3156 -17.2665 -17.2665 -17.2648 -17.2648 -17.2640 -17.2640 -8.6651 -8.6647 -8.6405 -8.6405 -8.4154 -8.4154 -8.2097 -8.2097 -8.1887 -8.1886 -7.8349 -7.8349 -7.5080 -7.5080 -7.3977 -7.3970 -7.3801 -7.3801 -7.2522 -7.2522 -7.2355 -7.2355 -6.0634 -6.0634 -4.9477 -4.9475 -4.9034 -4.9034 -4.6778 -4.6778 -3.3930 -3.3930 -3.3814 -3.3794 -3.2827 -3.2827 -3.2400 -3.2370 -3.2370 -3.2344 -3.2131 -3.2131 -3.1282 -3.1278 -3.1150 -3.1150 -2.3383 -2.3383 -2.3018 -2.3018 -2.2846 -2.2809 3.9249 3.9249 4.0344 4.0344 4.0366 4.0394 4.5119 4.5119 4.7416 4.7417 4.7417 4.7470 k = 0.1250 0.1250 0.1250 ( 8322 PWs) bands (ev): -17.3146 -17.3146 -17.2670 -17.2670 -17.2650 -17.2650 -17.2642 -17.2642 -8.6650 -8.6646 -8.6352 -8.6352 -8.4245 -8.4245 -8.2121 -8.2121 -8.1889 -8.1889 -7.8407 -7.8407 -7.4902 -7.4902 -7.3958 -7.3950 -7.3719 -7.3719 -7.2539 -7.2539 -7.2327 -7.2327 -6.1028 -6.1028 -4.9453 -4.9450 -4.9010 -4.9010 -4.6387 -4.6387 -3.4078 -3.4078 -3.3948 -3.3938 -3.3106 -3.3106 -3.2371 -3.2342 -3.2342 -3.2310 -3.2110 -3.2110 -3.1291 -3.1282 -3.1145 -3.1145 -2.3301 -2.3301 -2.2916 -2.2916 -2.2726 -2.2689 3.9218 3.9218 4.0517 4.0517 4.0537 4.0567 4.5343 4.5343 4.7390 4.7390 4.7392 4.7453 k = 0.1364 0.1364 0.1364 ( 8316 PWs) bands (ev): -17.3136 -17.3136 -17.2675 -17.2675 -17.2652 -17.2652 -17.2644 -17.2644 -8.6647 -8.6643 -8.6293 -8.6293 -8.4342 -8.4342 -8.2143 -8.2143 -8.1892 -8.1891 -7.8459 -7.8459 -7.4751 -7.4751 -7.3939 -7.3930 -7.3623 -7.3623 -7.2558 -7.2558 -7.2290 -7.2290 -6.1419 -6.1419 -4.9432 -4.9428 -4.8990 -4.8990 -4.5990 -4.5990 -3.4226 -3.4226 -3.4082 -3.4082 -3.3400 -3.3400 -3.2334 -3.2307 -3.2307 -3.2269 -3.2088 -3.2088 -3.1305 -3.1282 -3.1142 -3.1142 -2.3223 -2.3223 -2.2814 -2.2814 -2.2609 -2.2573 3.9191 3.9191 4.0705 4.0705 4.0722 4.0754 4.5578 4.5578 4.7356 4.7356 4.7363 4.7431 k = 0.1477 0.1477 0.1477 ( 8313 PWs) bands (ev): -17.3125 -17.3125 -17.2681 -17.2681 -17.2655 -17.2655 -17.2646 -17.2646 -8.6646 -8.6642 -8.6231 -8.6231 -8.4443 -8.4443 -8.2163 -8.2163 -8.1893 -8.1892 -7.8504 -7.8504 -7.4627 -7.4627 -7.3919 -7.3910 -7.3516 -7.3516 -7.2576 -7.2576 -7.2240 -7.2240 -6.1800 -6.1800 -4.9412 -4.9407 -4.8973 -4.8973 -4.5595 -4.5595 -3.4374 -3.4374 -3.4223 -3.4214 -3.3704 -3.3704 -3.2292 -3.2267 -3.2267 -3.2221 -3.2063 -3.2063 -3.1322 -3.1284 -3.1141 -3.1141 -2.3152 -2.3152 -2.2714 -2.2714 -2.2497 -2.2461 3.9170 3.9170 4.0908 4.0908 4.0922 4.0956 4.5820 4.5820 4.7315 4.7315 4.7328 4.7403 k = 0.1591 0.1591 0.1591 ( 8310 PWs) bands (ev): -17.3114 -17.3114 -17.2687 -17.2687 -17.2657 -17.2657 -17.2649 -17.2649 -8.6644 -8.6640 -8.6164 -8.6164 -8.4547 -8.4547 -8.2180 -8.2180 -8.1895 -8.1894 -7.8544 -7.8544 -7.4530 -7.4530 -7.3899 -7.3890 -7.3406 -7.3406 -7.2594 -7.2594 -7.2176 -7.2176 -6.2167 -6.2167 -4.9396 -4.9390 -4.8960 -4.8960 -4.5204 -4.5204 -3.4524 -3.4524 -3.4359 -3.4339 -3.4009 -3.4009 -3.2246 -3.2225 -3.2225 -3.2168 -3.2038 -3.2038 -3.1340 -3.1284 -3.1141 -3.1141 -2.3087 -2.3087 -2.2619 -2.2619 -2.2391 -2.2357 3.9157 3.9157 4.1126 4.1126 4.1135 4.1172 4.6066 4.6066 4.7267 4.7267 4.7287 4.7368 k = 0.1705 0.1705 0.1705 ( 8334 PWs) bands (ev): -17.3103 -17.3103 -17.2693 -17.2693 -17.2660 -17.2660 -17.2651 -17.2651 -8.6643 -8.6638 -8.6093 -8.6093 -8.4653 -8.4653 -8.2196 -8.2196 -8.1898 -8.1897 -7.8579 -7.8579 -7.4455 -7.4455 -7.3878 -7.3869 -7.3303 -7.3303 -7.2613 -7.2613 -7.2096 -7.2096 -6.2513 -6.2513 -4.9384 -4.9377 -4.8952 -4.8952 -4.4822 -4.4822 -3.4690 -3.4690 -3.4486 -3.4456 -3.4297 -3.4297 -3.2199 -3.2180 -3.2180 -3.2111 -3.2011 -3.2011 -3.1360 -3.1284 -3.1141 -3.1141 -2.3030 -2.3030 -2.2531 -2.2531 -2.2295 -2.2262 3.9154 3.9154 4.1357 4.1357 4.1361 4.1400 4.6314 4.6314 4.7210 4.7210 4.7238 4.7327 k = 0.1818 0.1818 0.1818 ( 8334 PWs) bands (ev): -17.3091 -17.3091 -17.2700 -17.2700 -17.2663 -17.2663 -17.2654 -17.2654 -8.6641 -8.6637 -8.6017 -8.6017 -8.4760 -8.4760 -8.2208 -8.2208 -8.1899 -8.1899 -7.8608 -7.8608 -7.4398 -7.4398 -7.3859 -7.3850 -7.3213 -7.3213 -7.2630 -7.2629 -7.2002 -7.2002 -6.2831 -6.2831 -4.9377 -4.9368 -4.8950 -4.8950 -4.4453 -4.4453 -3.4901 -3.4901 -3.4602 -3.4563 -3.4530 -3.4530 -3.2150 -3.2135 -3.2135 -3.2051 -3.1982 -3.1982 -3.1379 -3.1281 -3.1139 -3.1139 -2.2980 -2.2980 -2.2451 -2.2451 -2.2208 -2.2177 3.9160 3.9160 4.1599 4.1601 4.1601 4.1640 4.6560 4.6560 4.7146 4.7146 4.7183 4.7279 k = 0.1932 0.1932 0.1932 ( 8343 PWs) bands (ev): -17.3078 -17.3078 -17.2706 -17.2706 -17.2666 -17.2666 -17.2657 -17.2657 -8.6640 -8.6635 -8.5938 -8.5938 -8.4867 -8.4867 -8.2219 -8.2219 -8.1901 -8.1900 -7.8633 -7.8633 -7.4355 -7.4355 -7.3841 -7.3831 -7.3141 -7.3141 -7.2645 -7.2644 -7.1902 -7.1902 -6.3115 -6.3115 -4.9375 -4.9365 -4.8953 -4.8953 -4.4104 -4.4104 -3.5172 -3.5172 -3.4705 -3.4688 -3.4688 -3.4656 -3.2102 -3.2090 -3.2090 -3.1989 -3.1952 -3.1952 -3.1396 -3.1276 -3.1136 -3.1136 -2.2939 -2.2939 -2.2380 -2.2380 -2.2133 -2.2104 3.9178 3.9178 4.1847 4.1856 4.1856 4.1890 4.6799 4.6799 4.7075 4.7075 4.7121 4.7223 k = 0.2045 0.2045 0.2045 ( 8343 PWs) bands (ev): -17.3066 -17.3066 -17.2713 -17.2713 -17.2668 -17.2668 -17.2659 -17.2659 -8.6638 -8.6633 -8.5856 -8.5856 -8.4972 -8.4972 -8.2227 -8.2227 -8.1902 -8.1901 -7.8653 -7.8653 -7.4323 -7.4323 -7.3824 -7.3814 -7.3086 -7.3086 -7.2658 -7.2657 -7.1803 -7.1803 -6.3357 -6.3357 -4.9380 -4.9368 -4.8962 -4.8962 -4.3781 -4.3781 -3.5470 -3.5470 -3.4795 -3.4795 -3.4794 -3.4736 -3.2055 -3.2046 -3.2046 -3.1927 -3.1922 -3.1922 -3.1411 -3.1265 -3.1130 -3.1130 -2.2906 -2.2906 -2.2322 -2.2322 -2.2069 -2.2043 3.9207 3.9207 4.2103 4.2121 4.2121 4.2148 4.6962 4.6962 4.7053 4.7064 4.7064 4.7160 k = 0.2159 0.2159 0.2159 ( 8343 PWs) bands (ev): -17.3054 -17.3054 -17.2719 -17.2719 -17.2671 -17.2671 -17.2662 -17.2662 -8.6637 -8.6632 -8.5771 -8.5771 -8.5073 -8.5073 -8.2233 -8.2233 -8.1903 -8.1903 -7.8668 -7.8668 -7.4300 -7.4300 -7.3808 -7.3799 -7.3046 -7.3046 -7.2669 -7.2668 -7.1717 -7.1717 -6.3550 -6.3550 -4.9391 -4.9378 -4.8977 -4.8977 -4.3492 -4.3492 -3.5766 -3.5766 -3.4873 -3.4873 -3.4867 -3.4801 -3.2012 -3.2004 -3.2004 -3.1890 -3.1890 -3.1867 -3.1422 -3.1249 -3.1120 -3.1120 -2.2881 -2.2881 -2.2276 -2.2276 -2.2020 -2.1996 3.9250 3.9250 4.2364 4.2393 4.2393 4.2411 4.6889 4.6889 4.6980 4.7092 4.7272 4.7272 k = 0.2273 0.2273 0.2273 ( 8340 PWs) bands (ev): -17.3041 -17.3041 -17.2725 -17.2725 -17.2674 -17.2674 -17.2665 -17.2665 -8.6635 -8.6630 -8.5690 -8.5690 -8.5166 -8.5166 -8.2238 -8.2238 -8.1904 -8.1903 -7.8679 -7.8679 -7.4285 -7.4285 -7.3795 -7.3786 -7.3019 -7.3019 -7.2677 -7.2676 -7.1654 -7.1654 -6.3687 -6.3687 -4.9408 -4.9394 -4.8999 -4.8999 -4.3246 -4.3246 -3.6044 -3.6044 -3.4927 -3.4927 -3.4925 -3.4849 -3.1973 -3.1965 -3.1965 -3.1859 -3.1859 -3.1813 -3.1423 -3.1226 -3.1105 -3.1105 -2.2865 -2.2865 -2.2243 -2.2243 -2.1984 -2.1963 3.9306 3.9306 4.2629 4.2670 4.2670 4.2676 4.6796 4.6796 4.6903 4.7019 4.7482 4.7482 k = 0.2386 0.2386 0.2386 ( 8334 PWs) bands (ev): -17.3029 -17.3029 -17.2731 -17.2731 -17.2677 -17.2677 -17.2668 -17.2667 -8.6634 -8.6629 -8.5619 -8.5619 -8.5243 -8.5243 -8.2240 -8.2240 -8.1904 -8.1904 -7.8686 -7.8686 -7.4277 -7.4277 -7.3784 -7.3775 -7.3003 -7.3003 -7.2683 -7.2682 -7.1620 -7.1620 -6.3764 -6.3764 -4.9432 -4.9417 -4.9027 -4.9027 -4.3054 -4.3054 -3.6287 -3.6287 -3.4965 -3.4961 -3.4961 -3.4881 -3.1939 -3.1929 -3.1929 -3.1828 -3.1828 -3.1769 -3.1412 -3.1195 -3.1084 -3.1084 -2.2858 -2.2858 -2.2223 -2.2223 -2.1963 -2.1944 3.9376 3.9376 4.2893 4.2940 4.2948 4.2948 4.6699 4.6699 4.6828 4.6944 4.7676 4.7676 k = 0.2500 0.2500 0.2500 ( 8310 PWs) bands (ev): -17.3017 -17.3017 -17.2737 -17.2737 -17.2680 -17.2680 -17.2670 -17.2670 -8.6633 -8.6628 -8.5583 -8.5583 -8.5279 -8.5279 -8.2242 -8.2242 -8.1903 -8.1903 -7.8688 -7.8688 -7.4275 -7.4275 -7.3775 -7.3767 -7.2995 -7.2995 -7.2684 -7.2682 -7.1621 -7.1621 -6.3776 -6.3776 -4.9463 -4.9447 -4.9062 -4.9062 -4.2929 -4.2929 -3.6485 -3.6485 -3.4988 -3.4976 -3.4976 -3.4897 -3.1910 -3.1897 -3.1897 -3.1797 -3.1797 -3.1738 -3.1385 -3.1157 -3.1057 -3.1057 -2.2860 -2.2860 -2.2218 -2.2218 -2.1956 -2.1940 3.9461 3.9461 4.3151 4.3196 4.3221 4.3221 4.6605 4.6605 4.6757 4.6873 4.7853 4.7853 k = 0.2614 0.2614 0.2614 ( 8312 PWs) bands (ev): -17.3006 -17.3006 -17.2742 -17.2742 -17.2682 -17.2682 -17.2673 -17.2673 -8.6632 -8.6627 -8.5607 -8.5607 -8.5249 -8.5249 -8.2242 -8.2242 -8.1903 -8.1903 -7.8688 -7.8688 -7.4282 -7.4282 -7.3769 -7.3761 -7.2998 -7.2998 -7.2683 -7.2682 -7.1656 -7.1656 -6.3723 -6.3723 -4.9501 -4.9484 -4.9103 -4.9103 -4.2881 -4.2881 -3.6624 -3.6624 -3.4994 -3.4973 -3.4973 -3.4896 -3.1887 -3.1870 -3.1870 -3.1769 -3.1769 -3.1722 -3.1341 -3.1112 -3.1023 -3.1023 -2.2871 -2.2871 -2.2227 -2.2227 -2.1965 -2.1952 3.9560 3.9560 4.3396 4.3439 4.3482 4.3482 4.6520 4.6520 4.6698 4.6809 4.8008 4.8008 k = 0.2727 0.2727 0.2727 ( 8306 PWs) bands (ev): -17.2995 -17.2995 -17.2746 -17.2746 -17.2685 -17.2685 -17.2676 -17.2676 -8.6630 -8.6625 -8.5671 -8.5671 -8.5173 -8.5173 -8.2240 -8.2240 -8.1903 -8.1903 -7.8683 -7.8683 -7.4295 -7.4295 -7.3765 -7.3758 -7.3010 -7.3010 -7.2680 -7.2678 -7.1722 -7.1722 -6.3606 -6.3606 -4.9545 -4.9527 -4.9150 -4.9150 -4.2918 -4.2918 -3.6697 -3.6697 -3.4985 -3.4952 -3.4952 -3.4879 -3.1867 -3.1846 -3.1846 -3.1740 -3.1740 -3.1717 -3.1285 -3.1060 -3.0983 -3.0983 -2.2890 -2.2890 -2.2251 -2.2251 -2.1988 -2.1978 3.9674 3.9674 4.3621 4.3659 4.3722 4.3722 4.6454 4.6454 4.6657 4.6761 4.8140 4.8140 k = 0.2841 0.2841 0.2841 ( 8312 PWs) bands (ev): -17.2985 -17.2985 -17.2750 -17.2750 -17.2688 -17.2688 -17.2679 -17.2679 -8.6630 -8.6625 -8.5749 -8.5749 -8.5078 -8.5078 -8.2237 -8.2237 -8.1902 -8.1902 -7.8674 -7.8674 -7.4319 -7.4319 -7.3764 -7.3758 -7.3034 -7.3034 -7.2673 -7.2671 -7.1812 -7.1812 -6.3431 -6.3431 -4.9595 -4.9576 -4.9202 -4.9202 -4.3043 -4.3043 -3.6701 -3.6701 -3.4960 -3.4916 -3.4916 -3.4848 -3.1851 -3.1825 -3.1825 -3.1718 -3.1713 -3.1713 -3.1219 -3.1003 -3.0938 -3.0938 -2.2918 -2.2918 -2.2288 -2.2288 -2.2026 -2.2019 3.9802 3.9802 4.3818 4.3847 4.3929 4.3929 4.6417 4.6417 4.6643 4.6736 4.8246 4.8246 k = 0.2955 0.2955 0.2955 ( 8300 PWs) bands (ev): -17.2976 -17.2976 -17.2753 -17.2753 -17.2691 -17.2691 -17.2681 -17.2681 -8.6629 -8.6624 -8.5830 -8.5830 -8.4973 -8.4973 -8.2232 -8.2232 -8.1902 -8.1901 -7.8661 -7.8661 -7.4352 -7.4352 -7.3765 -7.3759 -7.3071 -7.3071 -7.2663 -7.2661 -7.1916 -7.1916 -6.3203 -6.3203 -4.9650 -4.9631 -4.9259 -4.9259 -4.3249 -4.3249 -3.6640 -3.6640 -3.4920 -3.4864 -3.4864 -3.4802 -3.1837 -3.1808 -3.1808 -3.1721 -3.1686 -3.1686 -3.1148 -3.0941 -3.0887 -3.0887 -2.2953 -2.2953 -2.2339 -2.2339 -2.2079 -2.2074 3.9946 3.9946 4.3977 4.3995 4.4091 4.4091 4.6422 4.6422 4.6664 4.6742 4.8327 4.8327 k = 0.3068 0.3068 0.3068 ( 8306 PWs) bands (ev): -17.2968 -17.2968 -17.2755 -17.2755 -17.2693 -17.2693 -17.2684 -17.2684 -8.6629 -8.6624 -8.5910 -8.5910 -8.4865 -8.4865 -8.2225 -8.2225 -8.1900 -8.1900 -7.8644 -7.8644 -7.4400 -7.4400 -7.3770 -7.3764 -7.3125 -7.3125 -7.2651 -7.2649 -7.2023 -7.2023 -6.2927 -6.2927 -4.9710 -4.9690 -4.9319 -4.9319 -4.3530 -4.3530 -3.6524 -3.6524 -3.4868 -3.4799 -3.4799 -3.4745 -3.1824 -3.1794 -3.1794 -3.1724 -3.1659 -3.1659 -3.1074 -3.0876 -3.0834 -3.0834 -2.2996 -2.2996 -2.2402 -2.2402 -2.2144 -2.2142 4.0104 4.0104 4.4091 4.4097 4.4197 4.4197 4.6477 4.6477 4.6725 4.6784 4.8379 4.8379 k = 0.3182 0.3182 0.3182 ( 8315 PWs) bands (ev): -17.2962 -17.2962 -17.2756 -17.2756 -17.2696 -17.2696 -17.2687 -17.2687 -8.6629 -8.6624 -8.5988 -8.5988 -8.4756 -8.4756 -8.2216 -8.2216 -8.1899 -8.1899 -7.8623 -7.8623 -7.4463 -7.4463 -7.3776 -7.3771 -7.3195 -7.3195 -7.2637 -7.2635 -7.2123 -7.2123 -6.2612 -6.2612 -4.9773 -4.9753 -4.9383 -4.9383 -4.3872 -4.3872 -3.6363 -3.6363 -3.4804 -3.4723 -3.4723 -3.4677 -3.1810 -3.1780 -3.1780 -3.1726 -3.1632 -3.1632 -3.0999 -3.0810 -3.0777 -3.0777 -2.3045 -2.3045 -2.2477 -2.2477 -2.2223 -2.2222 4.0275 4.0275 4.4151 4.4160 4.4247 4.4247 4.6581 4.6581 4.6822 4.6862 4.8404 4.8404 k = 0.3295 0.3295 0.3295 ( 8312 PWs) bands (ev): -17.2956 -17.2956 -17.2756 -17.2756 -17.2698 -17.2698 -17.2689 -17.2689 -8.6628 -8.6624 -8.6063 -8.6063 -8.4645 -8.4645 -8.2205 -8.2205 -8.1898 -8.1897 -7.8597 -7.8597 -7.4548 -7.4548 -7.3783 -7.3779 -7.3279 -7.3279 -7.2621 -7.2619 -7.2207 -7.2207 -6.2262 -6.2262 -4.9839 -4.9819 -4.9450 -4.9450 -4.4265 -4.4265 -3.6169 -3.6169 -3.4731 -3.4637 -3.4637 -3.4601 -3.1794 -3.1767 -3.1767 -3.1724 -3.1606 -3.1606 -3.0924 -3.0743 -3.0719 -3.0719 -2.3102 -2.3102 -2.2562 -2.2562 -2.2315 -2.2311 4.0460 4.0460 4.4163 4.4184 4.4246 4.4246 4.6726 4.6726 4.6951 4.6973 4.8401 4.8401 k = 0.3409 0.3409 0.3409 ( 8312 PWs) bands (ev): -17.2952 -17.2952 -17.2755 -17.2755 -17.2701 -17.2701 -17.2692 -17.2692 -8.6629 -8.6625 -8.6134 -8.6134 -8.4536 -8.4536 -8.2191 -8.2191 -8.1896 -8.1895 -7.8567 -7.8567 -7.4656 -7.4656 -7.3792 -7.3788 -7.3371 -7.3371 -7.2603 -7.2602 -7.2273 -7.2273 -6.1883 -6.1883 -4.9906 -4.9886 -4.9517 -4.9517 -4.4696 -4.4696 -3.5953 -3.5953 -3.4651 -3.4542 -3.4542 -3.4518 -3.1776 -3.1753 -3.1753 -3.1718 -3.1580 -3.1580 -3.0849 -3.0676 -3.0660 -3.0660 -2.3163 -2.3163 -2.2656 -2.2656 -2.2416 -2.2411 4.0657 4.0657 4.4143 4.4173 4.4207 4.4207 4.6897 4.6897 4.7100 4.7106 4.8370 4.8370 k = 0.3523 0.3523 0.3523 ( 8321 PWs) bands (ev): -17.2949 -17.2949 -17.2753 -17.2753 -17.2703 -17.2703 -17.2694 -17.2694 -8.6629 -8.6625 -8.6200 -8.6200 -8.4429 -8.4429 -8.2175 -8.2175 -8.1894 -8.1893 -7.8533 -7.8533 -7.4791 -7.4791 -7.3802 -7.3799 -7.3463 -7.3463 -7.2586 -7.2584 -7.2323 -7.2323 -6.1481 -6.1481 -4.9974 -4.9955 -4.9585 -4.9585 -4.5158 -4.5158 -3.5724 -3.5724 -3.4565 -3.4443 -3.4443 -3.4432 -3.1755 -3.1737 -3.1737 -3.1708 -3.1555 -3.1555 -3.0776 -3.0609 -3.0602 -3.0602 -2.3231 -2.3231 -2.2757 -2.2757 -2.2526 -2.2519 4.0866 4.0866 4.4098 4.4135 4.4144 4.4144 4.7079 4.7079 4.7251 4.7258 4.8312 4.8312 k = 0.3636 0.3636 0.3636 ( 8294 PWs) bands (ev): -17.2946 -17.2946 -17.2750 -17.2750 -17.2705 -17.2705 -17.2696 -17.2696 -8.6629 -8.6625 -8.6262 -8.6262 -8.4324 -8.4324 -8.2155 -8.2155 -8.1892 -8.1891 -7.8493 -7.8493 -7.4952 -7.4952 -7.3812 -7.3809 -7.3546 -7.3546 -7.2566 -7.2564 -7.2357 -7.2357 -6.1061 -6.1061 -5.0041 -5.0023 -4.9653 -4.9653 -4.5640 -4.5640 -3.5488 -3.5488 -3.4477 -3.4344 -3.4340 -3.4340 -3.1730 -3.1719 -3.1719 -3.1692 -3.1532 -3.1532 -3.0703 -3.0544 -3.0544 -3.0544 -2.3302 -2.3302 -2.2863 -2.2863 -2.2643 -2.2633 4.1086 4.1086 4.4037 4.4065 4.4065 4.4079 4.7260 4.7260 4.7400 4.7417 4.8230 4.8230 k = 0.3750 0.3750 0.3750 ( 8312 PWs) bands (ev): -17.2945 -17.2945 -17.2747 -17.2747 -17.2707 -17.2707 -17.2698 -17.2698 -8.6629 -8.6625 -8.6320 -8.6320 -8.4225 -8.4225 -8.2134 -8.2134 -8.1890 -8.1889 -7.8448 -7.8448 -7.5137 -7.5137 -7.3823 -7.3820 -7.3619 -7.3619 -7.2548 -7.2546 -7.2382 -7.2382 -6.0627 -6.0627 -5.0107 -5.0090 -4.9719 -4.9719 -4.6137 -4.6137 -3.5254 -3.5254 -3.4387 -3.4257 -3.4237 -3.4237 -3.1701 -3.1697 -3.1697 -3.1670 -3.1509 -3.1509 -3.0634 -3.0487 -3.0487 -3.0481 -2.3378 -2.3378 -2.2972 -2.2972 -2.2764 -2.2753 4.1314 4.1314 4.3967 4.3979 4.3979 4.4011 4.7431 4.7431 4.7543 4.7568 4.8124 4.8124 k = 0.3864 0.3864 0.3864 ( 8306 PWs) bands (ev): -17.2945 -17.2945 -17.2743 -17.2743 -17.2709 -17.2709 -17.2700 -17.2700 -8.6629 -8.6626 -8.6373 -8.6373 -8.4131 -8.4131 -8.2109 -8.2109 -8.1887 -8.1886 -7.8397 -7.8397 -7.5341 -7.5341 -7.3833 -7.3831 -7.3680 -7.3680 -7.2529 -7.2528 -7.2399 -7.2399 -6.0183 -6.0183 -5.0171 -5.0154 -4.9784 -4.9784 -4.6641 -4.6641 -3.5025 -3.5025 -3.4300 -3.4174 -3.4135 -3.4135 -3.1672 -3.1672 -3.1668 -3.1643 -3.1488 -3.1488 -3.0566 -3.0433 -3.0433 -3.0421 -2.3456 -2.3456 -2.3081 -2.3081 -2.2888 -2.2875 4.1551 4.1551 4.3891 4.3891 4.3894 4.3938 4.7583 4.7583 4.7678 4.7706 4.8001 4.8001 k = 0.3977 0.3977 0.3977 ( 8306 PWs) bands (ev): -17.2945 -17.2945 -17.2739 -17.2739 -17.2710 -17.2710 -17.2702 -17.2702 -8.6629 -8.6626 -8.6421 -8.6421 -8.4043 -8.4043 -8.2081 -8.2081 -8.1885 -8.1884 -7.8340 -7.8340 -7.5557 -7.5557 -7.3844 -7.3842 -7.3730 -7.3730 -7.2512 -7.2510 -7.2409 -7.2409 -5.9734 -5.9734 -5.0232 -5.0216 -4.9847 -4.9847 -4.7147 -4.7147 -3.4806 -3.4806 -3.4215 -3.4095 -3.4037 -3.4037 -3.1644 -3.1644 -3.1633 -3.1612 -3.1468 -3.1468 -3.0502 -3.0382 -3.0382 -3.0364 -2.3538 -2.3538 -2.3187 -2.3187 -2.3012 -2.2998 4.1792 4.1792 4.3805 4.3805 4.3821 4.3863 4.7694 4.7694 4.7800 4.7830 4.7884 4.7884 k = 0.4091 0.4091 0.4091 ( 8312 PWs) bands (ev): -17.2945 -17.2945 -17.2735 -17.2735 -17.2711 -17.2711 -17.2703 -17.2703 -8.6629 -8.6627 -8.6465 -8.6465 -8.3963 -8.3963 -8.2051 -8.2051 -8.1883 -8.1883 -7.8276 -7.8276 -7.5781 -7.5781 -7.3854 -7.3852 -7.3771 -7.3771 -7.2495 -7.2494 -7.2417 -7.2417 -5.9286 -5.9286 -5.0288 -5.0274 -4.9907 -4.9907 -4.7647 -4.7647 -3.4601 -3.4601 -3.4136 -3.4024 -3.3944 -3.3944 -3.1614 -3.1614 -3.1594 -3.1576 -3.1450 -3.1450 -3.0440 -3.0333 -3.0333 -3.0312 -2.3621 -2.3621 -2.3287 -2.3287 -2.3133 -2.3119 4.2037 4.2037 4.3724 4.3724 4.3751 4.3790 4.7639 4.7639 4.7898 4.7898 4.7907 4.7938 k = 0.4205 0.4205 0.4205 ( 8303 PWs) bands (ev): -17.2946 -17.2946 -17.2732 -17.2732 -17.2712 -17.2712 -17.2705 -17.2705 -8.6629 -8.6627 -8.6503 -8.6503 -8.3891 -8.3891 -8.2020 -8.2020 -8.1881 -8.1881 -7.8203 -7.8203 -7.6006 -7.6006 -7.3863 -7.3862 -7.3804 -7.3804 -7.2480 -7.2478 -7.2421 -7.2421 -5.8844 -5.8844 -5.0340 -5.0327 -4.9965 -4.9965 -4.8133 -4.8133 -3.4414 -3.4414 -3.4063 -3.3961 -3.3859 -3.3859 -3.1581 -3.1581 -3.1554 -3.1538 -3.1434 -3.1434 -3.0382 -3.0289 -3.0289 -3.0264 -2.3703 -2.3703 -2.3379 -2.3379 -2.3249 -2.3235 4.2281 4.2281 4.3649 4.3649 4.3686 4.3722 4.7479 4.7479 4.7988 4.7988 4.8001 4.8030 k = 0.4318 0.4318 0.4318 ( 8312 PWs) bands (ev): -17.2947 -17.2947 -17.2729 -17.2729 -17.2713 -17.2713 -17.2706 -17.2706 -8.6630 -8.6628 -8.6537 -8.6537 -8.3829 -8.3829 -8.1989 -8.1989 -8.1880 -8.1879 -7.8122 -7.8122 -7.6230 -7.6230 -7.3871 -7.3870 -7.3830 -7.3830 -7.2466 -7.2465 -7.2423 -7.2423 -5.8415 -5.8415 -5.0386 -5.0375 -5.0021 -5.0021 -4.8596 -4.8596 -3.4247 -3.4247 -3.3998 -3.3907 -3.3781 -3.3781 -3.1549 -3.1549 -3.1514 -3.1500 -3.1419 -3.1419 -3.0328 -3.0249 -3.0249 -3.0222 -2.3785 -2.3785 -2.3461 -2.3461 -2.3358 -2.3344 4.2520 4.2520 4.3583 4.3583 4.3627 4.3659 4.7301 4.7301 4.8072 4.8072 4.8080 4.8107 k = 0.4432 0.4432 0.4432 ( 8288 PWs) bands (ev): -17.2948 -17.2948 -17.2727 -17.2727 -17.2712 -17.2712 -17.2707 -17.2707 -8.6629 -8.6628 -8.6565 -8.6565 -8.3776 -8.3776 -8.1958 -8.1958 -8.1878 -8.1877 -7.8031 -7.8031 -7.6449 -7.6449 -7.3878 -7.3877 -7.3851 -7.3851 -7.2453 -7.2453 -7.2424 -7.2424 -5.8011 -5.8011 -5.0425 -5.0416 -5.0081 -5.0081 -4.9020 -4.9020 -3.4104 -3.4104 -3.3940 -3.3862 -3.3711 -3.3711 -3.1517 -3.1517 -3.1475 -3.1462 -3.1405 -3.1405 -3.0278 -3.0213 -3.0213 -3.0186 -2.3860 -2.3860 -2.3532 -2.3532 -2.3455 -2.3442 4.2748 4.2748 4.3526 4.3526 4.3577 4.3604 4.7120 4.7120 4.8143 4.8143 4.8146 4.8170 k = 0.4545 0.4545 0.4545 ( 8309 PWs) bands (ev): -17.2949 -17.2949 -17.2725 -17.2725 -17.2712 -17.2712 -17.2708 -17.2708 -8.6630 -8.6628 -8.6588 -8.6588 -8.3732 -8.3732 -8.1931 -8.1931 -8.1876 -8.1876 -7.7929 -7.7929 -7.6660 -7.6660 -7.3885 -7.3885 -7.3868 -7.3868 -7.2444 -7.2443 -7.2425 -7.2425 -5.7641 -5.7641 -5.0459 -5.0451 -5.0151 -5.0151 -4.9384 -4.9384 -3.3987 -3.3987 -3.3892 -3.3828 -3.3651 -3.3651 -3.1489 -3.1489 -3.1440 -3.1429 -3.1393 -3.1393 -3.0234 -3.0183 -3.0183 -3.0157 -2.3929 -2.3929 -2.3590 -2.3590 -2.3539 -2.3528 4.2958 4.2958 4.3479 4.3479 4.3535 4.3557 4.6945 4.6945 4.8198 4.8198 4.8198 4.8218 k = 0.4659 0.4659 0.4659 ( 8294 PWs) bands (ev): -17.2949 -17.2949 -17.2725 -17.2725 -17.2711 -17.2711 -17.2709 -17.2709 -8.6629 -8.6628 -8.6606 -8.6606 -8.3699 -8.3699 -8.1907 -8.1907 -8.1875 -8.1875 -7.7815 -7.7815 -7.6862 -7.6862 -7.3890 -7.3889 -7.3880 -7.3880 -7.2436 -7.2435 -7.2425 -7.2425 -5.7323 -5.7323 -5.0484 -5.0479 -5.0246 -5.0246 -4.9659 -4.9659 -3.3897 -3.3897 -3.3852 -3.3803 -3.3601 -3.3601 -3.1466 -3.1466 -3.1410 -3.1401 -3.1382 -3.1382 -3.0196 -3.0159 -3.0159 -3.0136 -2.3985 -2.3985 -2.3636 -2.3636 -2.3607 -2.3598 4.3138 4.3138 4.3446 4.3446 4.3502 4.3520 4.6789 4.6789 4.8239 4.8241 4.8241 4.8254 k = 0.4773 0.4773 0.4773 ( 8264 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2710 -17.2710 -17.2709 -17.2709 -8.6629 -8.6628 -8.6619 -8.6619 -8.3675 -8.3675 -8.1889 -8.1889 -8.1874 -8.1873 -7.7689 -7.7689 -7.7052 -7.7052 -7.3892 -7.3892 -7.3888 -7.3888 -7.2428 -7.2428 -7.2423 -7.2423 -5.7075 -5.7075 -5.0503 -5.0499 -5.0368 -5.0368 -4.9822 -4.9822 -3.3835 -3.3835 -3.3821 -3.3788 -3.3562 -3.3562 -3.1448 -3.1448 -3.1386 -3.1380 -3.1372 -3.1372 -3.0164 -3.0140 -3.0140 -3.0123 -2.4028 -2.4028 -2.3669 -2.3669 -2.3656 -2.3650 4.3271 4.3271 4.3432 4.3432 4.3480 4.3492 4.6663 4.6663 4.8269 4.8271 4.8271 4.8279 k = 0.4886 0.4886 0.4886 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2710 -17.2710 -17.2709 -17.2709 -8.6629 -8.6628 -8.6626 -8.6626 -8.3660 -8.3660 -8.1877 -8.1877 -8.1873 -8.1873 -7.7550 -7.7550 -7.7230 -7.7230 -7.3894 -7.3893 -7.3893 -7.3893 -7.2424 -7.2424 -7.2423 -7.2423 -5.6915 -5.6915 -5.0513 -5.0511 -5.0475 -5.0475 -4.9897 -4.9897 -3.3799 -3.3798 -3.3798 -3.3783 -3.3537 -3.3537 -3.1438 -3.1438 -3.1370 -3.1367 -3.1366 -3.1366 -3.0141 -3.0129 -3.0129 -3.0120 -2.4054 -2.4054 -2.3688 -2.3688 -2.3686 -2.3683 4.3333 4.3333 4.3449 4.3449 4.3468 4.3473 4.6580 4.6580 4.8287 4.8289 4.8289 4.8293 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2709 -17.2709 -17.2709 -17.2709 -8.6629 -8.6629 -8.6629 -8.6629 -8.3655 -8.3655 -8.1873 -8.1873 -8.1873 -8.1873 -7.7417 -7.7417 -7.7376 -7.7376 -7.3894 -7.3894 -7.3894 -7.3894 -7.2423 -7.2423 -7.2423 -7.2423 -5.6860 -5.6860 -5.0516 -5.0516 -5.0516 -5.0516 -4.9918 -4.9918 -3.3786 -3.3786 -3.3786 -3.3786 -3.3528 -3.3528 -3.1435 -3.1435 -3.1364 -3.1364 -3.1364 -3.1364 -3.0126 -3.0126 -3.0126 -3.0126 -2.4063 -2.4063 -2.3695 -2.3695 -2.3695 -2.3695 4.3343 4.3343 4.3465 4.3465 4.3465 4.3465 4.6551 4.6551 4.8295 4.8295 4.8295 4.8295 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2709 -17.2709 -17.2709 -17.2709 -8.6629 -8.6629 -8.6629 -8.6629 -8.3655 -8.3655 -8.1873 -8.1873 -8.1873 -8.1873 -7.7417 -7.7417 -7.7376 -7.7376 -7.3894 -7.3894 -7.3894 -7.3894 -7.2423 -7.2423 -7.2423 -7.2423 -5.6860 -5.6860 -5.0516 -5.0516 -5.0516 -5.0516 -4.9918 -4.9918 -3.3786 -3.3786 -3.3786 -3.3786 -3.3528 -3.3528 -3.1435 -3.1435 -3.1364 -3.1364 -3.1364 -3.1364 -3.0126 -3.0126 -3.0126 -3.0126 -2.4063 -2.4063 -2.3695 -2.3695 -2.3695 -2.3695 4.3343 4.3343 4.3465 4.3465 4.3465 4.3465 4.6551 4.6551 4.8295 4.8295 4.8295 4.8295 k = 0.4861 0.5000 0.4861 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2710 -17.2710 -17.2709 -17.2709 -8.6629 -8.6628 -8.6626 -8.6626 -8.3660 -8.3660 -8.1879 -8.1879 -8.1871 -8.1871 -7.7550 -7.7550 -7.7230 -7.7230 -7.3894 -7.3893 -7.3893 -7.3893 -7.2424 -7.2424 -7.2423 -7.2423 -5.6915 -5.6915 -5.0513 -5.0511 -5.0475 -5.0475 -4.9898 -4.9896 -3.3802 -3.3797 -3.3796 -3.3783 -3.3537 -3.3537 -3.1438 -3.1438 -3.1371 -3.1368 -3.1366 -3.1365 -3.0140 -3.0132 -3.0127 -3.0120 -2.4054 -2.4054 -2.3691 -2.3689 -2.3684 -2.3681 4.3332 4.3334 4.3449 4.3449 4.3467 4.3473 4.6580 4.6580 4.8283 4.8286 4.8293 4.8297 k = 0.4722 0.5000 0.4722 ( 8268 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2710 -17.2710 -17.2709 -17.2709 -8.6628 -8.6628 -8.6620 -8.6620 -8.3675 -8.3674 -8.1898 -8.1898 -8.1865 -8.1864 -7.7689 -7.7688 -7.7053 -7.7052 -7.3892 -7.3892 -7.3888 -7.3888 -7.2429 -7.2429 -7.2423 -7.2423 -5.7075 -5.7074 -5.0501 -5.0497 -5.0374 -5.0364 -4.9828 -4.9819 -3.3841 -3.3831 -3.3819 -3.3790 -3.3562 -3.3560 -3.1449 -3.1448 -3.1387 -3.1381 -3.1372 -3.1370 -3.0165 -3.0144 -3.0138 -3.0121 -2.4029 -2.4029 -2.3677 -2.3674 -2.3649 -2.3644 4.3272 4.3284 4.3421 4.3432 4.3478 4.3490 4.6662 4.6663 4.8248 4.8254 4.8291 4.8298 k = 0.4583 0.5000 0.4583 ( 8302 PWs) bands (ev): -17.2949 -17.2949 -17.2725 -17.2724 -17.2711 -17.2711 -17.2709 -17.2709 -8.6628 -8.6627 -8.6608 -8.6608 -8.3698 -8.3698 -8.1929 -8.1929 -8.1854 -8.1854 -7.7817 -7.7814 -7.6863 -7.6861 -7.3889 -7.3889 -7.3881 -7.3881 -7.2436 -7.2436 -7.2424 -7.2424 -5.7324 -5.7321 -5.0481 -5.0475 -5.0262 -5.0230 -4.9679 -4.9650 -3.3903 -3.3891 -3.3854 -3.3811 -3.3599 -3.3593 -3.1469 -3.1467 -3.1410 -3.1403 -3.1378 -3.1376 -3.0200 -3.0161 -3.0160 -3.0129 -2.3990 -2.3990 -2.3653 -2.3648 -2.3589 -2.3581 4.3146 4.3167 4.3415 4.3435 4.3504 4.3522 4.6787 4.6791 4.8191 4.8200 4.8288 4.8301 k = 0.4444 0.5000 0.4444 ( 8292 PWs) bands (ev): -17.2949 -17.2949 -17.2726 -17.2725 -17.2712 -17.2712 -17.2708 -17.2708 -8.6627 -8.6625 -8.6591 -8.6591 -8.3731 -8.3731 -8.1969 -8.1968 -8.1839 -8.1838 -7.7932 -7.7928 -7.6661 -7.6658 -7.3884 -7.3883 -7.3869 -7.3868 -7.2444 -7.2444 -7.2424 -7.2423 -5.7644 -5.7637 -5.0453 -5.0444 -5.0174 -5.0118 -4.9422 -4.9373 -3.3989 -3.3975 -3.3908 -3.3854 -3.3641 -3.3627 -3.1498 -3.1494 -3.1436 -3.1430 -3.1385 -3.1382 -3.0244 -3.0191 -3.0182 -3.0141 -2.3942 -2.3940 -2.3618 -2.3610 -2.3505 -2.3494 4.2977 4.3005 4.3420 4.3444 4.3547 4.3569 4.6941 4.6952 4.8112 4.8123 4.8286 4.8306 k = 0.4306 0.5000 0.4306 ( 8296 PWs) bands (ev): -17.2948 -17.2948 -17.2727 -17.2726 -17.2714 -17.2712 -17.2707 -17.2707 -8.6625 -8.6623 -8.6570 -8.6569 -8.3773 -8.3772 -8.2019 -8.2018 -8.1819 -8.1818 -7.8038 -7.8031 -7.6449 -7.6444 -7.3878 -7.3877 -7.3853 -7.3852 -7.2455 -7.2454 -7.2422 -7.2421 -5.8018 -5.8006 -5.0418 -5.0404 -5.0107 -5.0031 -4.9072 -4.9010 -3.4098 -3.4083 -3.3988 -3.3926 -3.3681 -3.3656 -3.1538 -3.1535 -3.1459 -3.1457 -3.1392 -3.1389 -3.0296 -3.0232 -3.0206 -3.0157 -2.3891 -2.3887 -2.3571 -2.3560 -2.3398 -2.3384 4.2781 4.2815 4.3426 4.3454 4.3608 4.3632 4.7110 4.7131 4.8009 4.8022 4.8286 4.8317 k = 0.4167 0.5000 0.4167 ( 8292 PWs) bands (ev): -17.2947 -17.2947 -17.2729 -17.2727 -17.2715 -17.2712 -17.2706 -17.2706 -8.6623 -8.6621 -8.6544 -8.6543 -8.3823 -8.3822 -8.2075 -8.2074 -8.1796 -8.1795 -7.8134 -7.8124 -7.6228 -7.6221 -7.3870 -7.3869 -7.3834 -7.3831 -7.2469 -7.2467 -7.2420 -7.2418 -5.8429 -5.8411 -5.0377 -5.0358 -5.0049 -4.9954 -4.8661 -4.8589 -3.4230 -3.4212 -3.4094 -3.4029 -3.3716 -3.3678 -3.1588 -3.1587 -3.1481 -3.1475 -3.1400 -3.1396 -3.0357 -3.0283 -3.0233 -3.0177 -2.3842 -2.3835 -2.3511 -2.3497 -2.3271 -2.3252 4.2569 4.2609 4.3434 4.3463 4.3684 4.3709 4.7280 4.7318 4.7882 4.7897 4.8290 4.8337 k = 0.4028 0.5000 0.4028 ( 8306 PWs) bands (ev): -17.2946 -17.2946 -17.2732 -17.2729 -17.2716 -17.2712 -17.2705 -17.2704 -8.6621 -8.6618 -8.6514 -8.6512 -8.3882 -8.3879 -8.2138 -8.2136 -8.1769 -8.1768 -7.8222 -7.8209 -7.6001 -7.5992 -7.3861 -7.3860 -7.3811 -7.3805 -7.2484 -7.2482 -7.2416 -7.2413 -5.8866 -5.8842 -5.0330 -5.0306 -4.9991 -4.9878 -4.8211 -4.8132 -3.4383 -3.4360 -3.4223 -3.4158 -3.3746 -3.3696 -3.1649 -3.1648 -3.1501 -3.1485 -3.1407 -3.1404 -3.0425 -3.0343 -3.0262 -3.0200 -2.3799 -2.3790 -2.3436 -2.3419 -2.3126 -2.3102 4.2349 4.2394 4.3442 4.3473 4.3774 4.3799 4.7436 4.7498 4.7733 4.7750 4.8303 4.8373 k = 0.3889 0.5000 0.3889 ( 8304 PWs) bands (ev): -17.2945 -17.2945 -17.2736 -17.2732 -17.2716 -17.2712 -17.2703 -17.2703 -8.6618 -8.6615 -8.6479 -8.6476 -8.3948 -8.3944 -8.2205 -8.2202 -8.1739 -8.1736 -7.8302 -7.8286 -7.5771 -7.5759 -7.3851 -7.3849 -7.3783 -7.3773 -7.2502 -7.2499 -7.2410 -7.2405 -5.9320 -5.9288 -5.0278 -5.0247 -4.9930 -4.9798 -4.7737 -4.7652 -3.4556 -3.4525 -3.4370 -3.4310 -3.3774 -3.3713 -3.1718 -3.1714 -3.1513 -3.1488 -3.1415 -3.1412 -3.0500 -3.0411 -3.0293 -3.0227 -2.3763 -2.3752 -2.3348 -2.3329 -2.2967 -2.2937 4.2126 4.2178 4.3451 4.3482 4.3875 4.3901 4.7517 4.7539 4.7628 4.7680 4.8335 4.8433 k = 0.3750 0.5000 0.3750 ( 8292 PWs) bands (ev): -17.2944 -17.2943 -17.2740 -17.2735 -17.2716 -17.2711 -17.2701 -17.2700 -8.6614 -8.6611 -8.6440 -8.6435 -8.4022 -8.4016 -8.2274 -8.2270 -8.1704 -8.1701 -7.8377 -7.8357 -7.5539 -7.5525 -7.3840 -7.3837 -7.3750 -7.3734 -7.2521 -7.2518 -7.2400 -7.2392 -5.9785 -5.9744 -5.0222 -5.0185 -4.9863 -4.9712 -4.7248 -4.7158 -3.4746 -3.4704 -3.4531 -3.4478 -3.3801 -3.3731 -3.1791 -3.1786 -3.1518 -3.1484 -3.1423 -3.1420 -3.0580 -3.0485 -3.0325 -3.0255 -2.3736 -2.3724 -2.3248 -2.3228 -2.2798 -2.2762 4.1905 4.1963 4.3459 4.3491 4.3986 4.4011 4.7348 4.7353 4.7691 4.7799 4.8398 4.8524 k = 0.3611 0.5000 0.3611 ( 8304 PWs) bands (ev): -17.2943 -17.2943 -17.2745 -17.2739 -17.2716 -17.2710 -17.2699 -17.2698 -8.6611 -8.6607 -8.6398 -8.6390 -8.4102 -8.4093 -8.2346 -8.2341 -8.1667 -8.1664 -7.8447 -7.8423 -7.5312 -7.5294 -7.3828 -7.3824 -7.3711 -7.3687 -7.2542 -7.2538 -7.2385 -7.2373 -6.0254 -6.0205 -5.0162 -5.0119 -4.9790 -4.9620 -4.6753 -4.6658 -3.4949 -3.4896 -3.4700 -3.4659 -3.3828 -3.3751 -3.1868 -3.1861 -3.1516 -3.1476 -3.1428 -3.1428 -3.0666 -3.0566 -3.0359 -3.0287 -2.3719 -2.3706 -2.3139 -2.3119 -2.2623 -2.2581 4.1690 4.1754 4.3466 4.3498 4.4105 4.4128 4.7131 4.7134 4.7748 4.7875 4.8502 4.8644 k = 0.3472 0.5000 0.3472 ( 8312 PWs) bands (ev): -17.2942 -17.2942 -17.2750 -17.2744 -17.2715 -17.2709 -17.2696 -17.2696 -8.6607 -8.6603 -8.6352 -8.6341 -8.4187 -8.4176 -8.2418 -8.2413 -8.1627 -8.1623 -7.8512 -7.8485 -7.5094 -7.5071 -7.3815 -7.3810 -7.3665 -7.3630 -7.2565 -7.2560 -7.2361 -7.2345 -6.0724 -6.0666 -5.0099 -5.0050 -4.9711 -4.9523 -4.6259 -4.6160 -3.5162 -3.5098 -3.4875 -3.4846 -3.3856 -3.3774 -3.1947 -3.1938 -3.1509 -3.1471 -3.1435 -3.1424 -3.0755 -3.0652 -3.0395 -3.0320 -2.3710 -2.3697 -2.3022 -2.3003 -2.2445 -2.2396 4.1482 4.1553 4.3472 4.3504 4.4226 4.4245 4.6897 4.6900 4.7776 4.7908 4.8638 4.8785 k = 0.3333 0.5000 0.3333 ( 8296 PWs) bands (ev): -17.2942 -17.2941 -17.2755 -17.2749 -17.2714 -17.2707 -17.2694 -17.2693 -8.6602 -8.6597 -8.6303 -8.6287 -8.4277 -8.4263 -8.2490 -8.2484 -8.1583 -8.1578 -7.8574 -7.8543 -7.4891 -7.4861 -7.3800 -7.3794 -7.3611 -7.3562 -7.2589 -7.2583 -7.2326 -7.2305 -6.1192 -6.1124 -5.0034 -4.9980 -4.9626 -4.9420 -4.5770 -4.5667 -3.5379 -3.5308 -3.5053 -3.5034 -3.3886 -3.3800 -3.2027 -3.2014 -3.1500 -3.1476 -3.1438 -3.1405 -3.0848 -3.0742 -3.0431 -3.0355 -2.3710 -2.3697 -2.2901 -2.2882 -2.2266 -2.2211 4.1285 4.1363 4.3477 4.3508 4.4345 4.4357 4.6651 4.6663 4.7780 4.7910 4.8789 4.8935 k = 0.3194 0.5000 0.3194 ( 8292 PWs) bands (ev): -17.2942 -17.2941 -17.2761 -17.2754 -17.2712 -17.2705 -17.2691 -17.2690 -8.6597 -8.6591 -8.6250 -8.6230 -8.4370 -8.4352 -8.2562 -8.2556 -8.1536 -8.1531 -7.8633 -7.8599 -7.4709 -7.4671 -7.3785 -7.3778 -7.3550 -7.3482 -7.2615 -7.2607 -7.2274 -7.2247 -6.1654 -6.1576 -4.9966 -4.9908 -4.9536 -4.9314 -4.5292 -4.5187 -3.5595 -3.5520 -3.5230 -3.5220 -3.3918 -3.3829 -3.2105 -3.2088 -3.1496 -3.1488 -3.1431 -3.1375 -3.0944 -3.0836 -3.0469 -3.0393 -2.3719 -2.3708 -2.2776 -2.2758 -2.2091 -2.2030 4.1100 4.1184 4.3480 4.3510 4.4449 4.4449 4.6410 4.6437 4.7765 4.7891 4.8941 4.9083 k = 0.3056 0.5000 0.3056 ( 8292 PWs) bands (ev): -17.2942 -17.2942 -17.2766 -17.2759 -17.2710 -17.2703 -17.2688 -17.2687 -8.6591 -8.6585 -8.6194 -8.6168 -8.4466 -8.4443 -8.2633 -8.2627 -8.1487 -8.1480 -7.8690 -7.8653 -7.4552 -7.4506 -7.3770 -7.3761 -7.3484 -7.3395 -7.2642 -7.2632 -7.2201 -7.2166 -6.2109 -6.2020 -4.9897 -4.9836 -4.9443 -4.9205 -4.4832 -4.4725 -3.5804 -3.5730 -3.5404 -3.5399 -3.3952 -3.3862 -3.2181 -3.2160 -3.1503 -3.1500 -3.1413 -3.1339 -3.1040 -3.0932 -3.0509 -3.0432 -2.3737 -2.3727 -2.2650 -2.2633 -2.1921 -2.1854 4.0928 4.1019 4.3480 4.3509 4.4502 4.4519 4.6196 4.6244 4.7735 4.7855 4.9082 4.9221 k = 0.2917 0.5000 0.2917 ( 8326 PWs) bands (ev): -17.2943 -17.2942 -17.2772 -17.2765 -17.2707 -17.2701 -17.2685 -17.2684 -8.6585 -8.6579 -8.6137 -8.6104 -8.4565 -8.4535 -8.2705 -8.2699 -8.1436 -8.1428 -7.8747 -7.8706 -7.4422 -7.4367 -7.3755 -7.3744 -7.3417 -7.3308 -7.2670 -7.2658 -7.2098 -7.2058 -6.2555 -6.2455 -4.9828 -4.9764 -4.9349 -4.9095 -4.4394 -4.4286 -3.6000 -3.5932 -3.5573 -3.5572 -3.3988 -3.3899 -3.2255 -3.2228 -3.1521 -3.1511 -3.1392 -3.1298 -3.1135 -3.1031 -3.0550 -3.0474 -2.3763 -2.3755 -2.2523 -2.2508 -2.1759 -2.1687 4.0770 4.0869 4.3477 4.3504 4.4488 4.4525 4.6043 4.6116 4.7689 4.7802 4.9199 4.9336 k = 0.2778 0.5000 0.2778 ( 8324 PWs) bands (ev): -17.2945 -17.2944 -17.2778 -17.2770 -17.2705 -17.2698 -17.2681 -17.2680 -8.6579 -8.6571 -8.6078 -8.6036 -8.4664 -8.4627 -8.2775 -8.2769 -8.1381 -8.1373 -7.8801 -7.8757 -7.4317 -7.4254 -7.3739 -7.3725 -7.3355 -7.3226 -7.2698 -7.2684 -7.1961 -7.1919 -6.2989 -6.2878 -4.9757 -4.9691 -4.9254 -4.8986 -4.3985 -4.3877 -3.6176 -3.6116 -3.5735 -3.5734 -3.4026 -3.3939 -3.2324 -3.2290 -3.1542 -3.1524 -3.1382 -3.1255 -3.1213 -3.1128 -3.0593 -3.0517 -2.3796 -2.3791 -2.2397 -2.2383 -2.1607 -2.1529 4.0627 4.0733 4.3471 4.3495 4.4385 4.4439 4.5983 4.6077 4.7626 4.7732 4.9274 4.9408 k = 0.2639 0.5000 0.2639 ( 8316 PWs) bands (ev): -17.2946 -17.2945 -17.2783 -17.2776 -17.2701 -17.2694 -17.2678 -17.2677 -8.6571 -8.6563 -8.6017 -8.5964 -8.4764 -8.4716 -8.2845 -8.2840 -8.1323 -8.1314 -7.8854 -7.8807 -7.4232 -7.4163 -7.3723 -7.3707 -7.3301 -7.3158 -7.2727 -7.2710 -7.1788 -7.1749 -6.3410 -6.3287 -4.9686 -4.9618 -4.9161 -4.8880 -4.3611 -4.3503 -3.6325 -3.6276 -3.5887 -3.5885 -3.4066 -3.3983 -3.2388 -3.2348 -3.1568 -3.1539 -3.1419 -3.1243 -3.1224 -3.1207 -3.0637 -3.0563 -2.3836 -2.3834 -2.2273 -2.2260 -2.1465 -2.1383 4.0501 4.0613 4.3460 4.3481 4.4199 4.4260 4.6019 4.6125 4.7545 4.7640 4.9282 4.9408 k = 0.2500 0.5000 0.2500 ( 8328 PWs) bands (ev): -17.2949 -17.2947 -17.2789 -17.2781 -17.2698 -17.2691 -17.2674 -17.2673 -8.6563 -8.6554 -8.5957 -8.5889 -8.4863 -8.4802 -8.2916 -8.2910 -8.1264 -8.1254 -7.8907 -7.8857 -7.4164 -7.4091 -7.3708 -7.3688 -7.3261 -7.3106 -7.2757 -7.2735 -7.1585 -7.1552 -6.3817 -6.3682 -4.9615 -4.9547 -4.9072 -4.8778 -4.3279 -4.3172 -3.6440 -3.6405 -3.6027 -3.6023 -3.4108 -3.4030 -3.2447 -3.2399 -3.1602 -3.1556 -3.1500 -3.1312 -3.1228 -3.1163 -3.0683 -3.0612 -2.3882 -2.3882 -2.2152 -2.2140 -2.1336 -2.1251 4.0390 4.0509 4.3442 4.3461 4.3958 4.4017 4.6126 4.6236 4.7443 4.7523 4.9209 4.9322 k = 0.2361 0.5000 0.2361 ( 8316 PWs) bands (ev): -17.2951 -17.2950 -17.2794 -17.2787 -17.2693 -17.2687 -17.2671 -17.2670 -8.6555 -8.6545 -8.5898 -8.5812 -8.4961 -8.4882 -8.2985 -8.2980 -8.1202 -8.1190 -7.8959 -7.8907 -7.4108 -7.4031 -7.3692 -7.3669 -7.3230 -7.3067 -7.2785 -7.2760 -7.1357 -7.1334 -6.4208 -6.4060 -4.9545 -4.9476 -4.8989 -4.8683 -4.2993 -4.2888 -3.6517 -3.6498 -3.6152 -3.6144 -3.4150 -3.4078 -3.2500 -3.2445 -3.1646 -3.1601 -3.1569 -3.1390 -3.1199 -3.1118 -3.0730 -3.0663 -2.3934 -2.3931 -2.2034 -2.2022 -2.1220 -2.1132 4.0296 4.0420 4.3406 4.3429 4.3698 4.3746 4.6277 4.6388 4.7315 4.7378 4.9083 4.9180 k = 0.2222 0.5000 0.2222 ( 8328 PWs) bands (ev): -17.2954 -17.2952 -17.2799 -17.2792 -17.2689 -17.2683 -17.2668 -17.2667 -8.6545 -8.6534 -8.5843 -8.5732 -8.5057 -8.4956 -8.3056 -8.3051 -8.1138 -8.1125 -7.9011 -7.8957 -7.4062 -7.3982 -7.3677 -7.3652 -7.3210 -7.3040 -7.2814 -7.2784 -7.1113 -7.1102 -6.4582 -6.4420 -4.9477 -4.9406 -4.8913 -4.8597 -4.2759 -4.2655 -3.6554 -3.6553 -3.6258 -3.6244 -3.4193 -3.4127 -3.2547 -3.2485 -3.1706 -3.1699 -3.1588 -3.1453 -3.1169 -3.1075 -3.0777 -3.0717 -2.3989 -2.3983 -2.1920 -2.1909 -2.1119 -2.1030 4.0218 4.0348 4.3283 4.3334 4.3505 4.3515 4.6455 4.6563 4.7163 4.7205 4.8943 4.9023 k = 0.2083 0.5000 0.2083 ( 8320 PWs) bands (ev): -17.2957 -17.2956 -17.2804 -17.2797 -17.2685 -17.2679 -17.2664 -17.2663 -8.6535 -8.6523 -8.5794 -8.5649 -8.5151 -8.5017 -8.3126 -8.3121 -8.1071 -8.1057 -7.9063 -7.9007 -7.4022 -7.3940 -7.3663 -7.3635 -7.3198 -7.3021 -7.2842 -7.2808 -7.0864 -7.0860 -6.4936 -6.4760 -4.9410 -4.9339 -4.8847 -4.8522 -4.2576 -4.2475 -3.6578 -3.6562 -3.6331 -3.6310 -3.4237 -3.4177 -3.2589 -3.2520 -3.1799 -3.1780 -3.1606 -3.1501 -3.1145 -3.1036 -3.0822 -3.0772 -2.4044 -2.4035 -2.1811 -2.1800 -2.1033 -2.0942 4.0157 4.0291 4.3025 4.3085 4.3431 4.3438 4.6647 4.6746 4.6987 4.7015 4.8811 4.8875 k = 0.1944 0.5000 0.1944 ( 8328 PWs) bands (ev): -17.2961 -17.2959 -17.2809 -17.2802 -17.2680 -17.2674 -17.2661 -17.2660 -8.6524 -8.6510 -8.5756 -8.5566 -8.5242 -8.5064 -8.3197 -8.3192 -8.1003 -8.0988 -7.9116 -7.9058 -7.3988 -7.3905 -7.3651 -7.3622 -7.3191 -7.3009 -7.2870 -7.2830 -7.0624 -7.0605 -6.5269 -6.5079 -4.9345 -4.9273 -4.8791 -4.8460 -4.2444 -4.2345 -3.6595 -3.6573 -3.6341 -3.6323 -3.4280 -3.4227 -3.2625 -3.2550 -3.1898 -3.1864 -3.1624 -3.1537 -3.1131 -3.1004 -3.0861 -3.0826 -2.4097 -2.4086 -2.1707 -2.1697 -2.0962 -2.0871 4.0111 4.0248 4.2737 4.2793 4.3388 4.3401 4.6761 4.6791 4.6849 4.6982 4.8695 4.8744 k = 0.1806 0.5000 0.1806 ( 8340 PWs) bands (ev): -17.2965 -17.2963 -17.2814 -17.2807 -17.2676 -17.2670 -17.2658 -17.2657 -8.6512 -8.6497 -8.5735 -8.5483 -8.5328 -8.5090 -8.3269 -8.3264 -8.0933 -8.0916 -7.9169 -7.9110 -7.3959 -7.3874 -7.3640 -7.3610 -7.3187 -7.3000 -7.2896 -7.2851 -7.0389 -7.0353 -6.5579 -6.5374 -4.9283 -4.9210 -4.8747 -4.8412 -4.2357 -4.2260 -3.6625 -3.6609 -3.6269 -3.6265 -3.4322 -3.4275 -3.2655 -3.2575 -3.1995 -3.1952 -3.1642 -3.1567 -3.1137 -3.0992 -3.0887 -3.0870 -2.4147 -2.4134 -2.1610 -2.1598 -2.0905 -2.0815 4.0080 4.0220 4.2450 4.2502 4.3349 4.3367 4.6545 4.6584 4.7053 4.7173 4.8596 4.8631 k = 0.1667 0.5000 0.1667 ( 8332 PWs) bands (ev): -17.2968 -17.2966 -17.2818 -17.2812 -17.2671 -17.2665 -17.2655 -17.2653 -8.6499 -8.6482 -8.5732 -8.5438 -8.5370 -8.5091 -8.3341 -8.3336 -8.0860 -8.0842 -7.9222 -7.9162 -7.3933 -7.3846 -7.3631 -7.3602 -7.3184 -7.2995 -7.2921 -7.2870 -7.0164 -7.0109 -6.5863 -6.5644 -4.9224 -4.9150 -4.8715 -4.8378 -4.2308 -4.2213 -3.6659 -3.6652 -3.6152 -3.6143 -3.4363 -3.4322 -3.2681 -3.2597 -3.2087 -3.2041 -3.1660 -3.1592 -3.1164 -3.1019 -3.0897 -3.0881 -2.4192 -2.4177 -2.1518 -2.1505 -2.0862 -2.0775 4.0064 4.0205 4.2172 4.2221 4.3308 4.3331 4.6315 4.6370 4.7258 4.7374 4.8510 4.8535 k = 0.1528 0.5000 0.1528 ( 8332 PWs) bands (ev): -17.2972 -17.2970 -17.2822 -17.2816 -17.2666 -17.2661 -17.2652 -17.2650 -8.6485 -8.6466 -8.5748 -8.5507 -8.5295 -8.5069 -8.3414 -8.3409 -8.0787 -8.0767 -7.9276 -7.9216 -7.3909 -7.3821 -7.3623 -7.3598 -7.3181 -7.2991 -7.2945 -7.2888 -6.9953 -6.9878 -6.6119 -6.5886 -4.9169 -4.9094 -4.8695 -4.8360 -4.2288 -4.2195 -3.6688 -3.6687 -3.6004 -3.5985 -3.4402 -3.4366 -3.2702 -3.2616 -3.2176 -3.2128 -3.1677 -3.1614 -3.1212 -3.1078 -3.0894 -3.0869 -2.4230 -2.4213 -2.1433 -2.1419 -2.0833 -2.0750 4.0061 4.0202 4.1908 4.1955 4.3264 4.3292 4.6086 4.6156 4.7461 4.7574 4.8436 4.8453 k = 0.1389 0.5000 0.1389 ( 8328 PWs) bands (ev): -17.2976 -17.2974 -17.2825 -17.2820 -17.2662 -17.2657 -17.2649 -17.2648 -8.6469 -8.6449 -8.5779 -8.5584 -8.5206 -8.5027 -8.3488 -8.3482 -8.0712 -8.0691 -7.9331 -7.9270 -7.3888 -7.3799 -7.3618 -7.3598 -7.3178 -7.2989 -7.2965 -7.2904 -6.9761 -6.9667 -6.6345 -6.6099 -4.9118 -4.9042 -4.8686 -4.8356 -4.2288 -4.2198 -3.6710 -3.6707 -3.5835 -3.5809 -3.4437 -3.4406 -3.2718 -3.2631 -3.2260 -3.2211 -3.1693 -3.1635 -3.1271 -3.1150 -3.0885 -3.0854 -2.4259 -2.4242 -2.1355 -2.1339 -2.0816 -2.0738 4.0071 4.0210 4.1661 4.1705 4.3218 4.3250 4.5866 4.5948 4.7658 4.7769 4.8370 4.8381 k = 0.1250 0.5000 0.1250 ( 8322 PWs) bands (ev): -17.2979 -17.2978 -17.2829 -17.2824 -17.2658 -17.2653 -17.2646 -17.2645 -8.6452 -8.6430 -8.5820 -8.5658 -8.5115 -8.4971 -8.3563 -8.3557 -8.0637 -8.0613 -7.9387 -7.9326 -7.3869 -7.3779 -7.3614 -7.3602 -7.3173 -7.2994 -7.2978 -7.2919 -6.9590 -6.9479 -6.6536 -6.6281 -4.9072 -4.8995 -4.8685 -4.8366 -4.2301 -4.2215 -3.6722 -3.6715 -3.5655 -3.5626 -3.4470 -3.4443 -3.2731 -3.2645 -3.2337 -3.2290 -3.1709 -3.1655 -3.1338 -3.1227 -3.0876 -3.0841 -2.4280 -2.4264 -2.1284 -2.1266 -2.0810 -2.0739 4.0091 4.0227 4.1433 4.1474 4.3170 4.3204 4.5659 4.5748 4.7847 4.7955 4.8311 4.8318 k = 0.1111 0.5000 0.1111 ( 8318 PWs) bands (ev): -17.2982 -17.2981 -17.2831 -17.2827 -17.2654 -17.2649 -17.2644 -17.2642 -8.6434 -8.6410 -8.5867 -8.5729 -8.5024 -8.4906 -8.3640 -8.3632 -8.0560 -8.0535 -7.9444 -7.9384 -7.3852 -7.3760 -7.3612 -7.3609 -7.3166 -7.3009 -7.2980 -7.2931 -6.9446 -6.9320 -6.6690 -6.6431 -4.9031 -4.8954 -4.8691 -4.8387 -4.2321 -4.2240 -3.6721 -3.6712 -3.5475 -3.5445 -3.4499 -3.4476 -3.2740 -3.2657 -3.2409 -3.2364 -3.1723 -3.1673 -3.1408 -3.1306 -3.0867 -3.0831 -2.4292 -2.4277 -2.1221 -2.1199 -2.0812 -2.0750 4.0119 4.0251 4.1225 4.1264 4.3119 4.3155 4.5469 4.5562 4.8026 4.8129 4.8259 4.8263 k = 0.0972 0.5000 0.0972 ( 8322 PWs) bands (ev): -17.2986 -17.2984 -17.2834 -17.2830 -17.2650 -17.2646 -17.2642 -17.2640 -8.6414 -8.6387 -8.5915 -8.5797 -8.4932 -8.4834 -8.3717 -8.3709 -8.0484 -8.0456 -7.9503 -7.9444 -7.3836 -7.3744 -7.3620 -7.3613 -7.3158 -7.3025 -7.2978 -7.2942 -6.9328 -6.9195 -6.6805 -6.6550 -4.8996 -4.8922 -4.8700 -4.8416 -4.2344 -4.2269 -3.6711 -3.6701 -3.5302 -3.5272 -3.4525 -3.4505 -3.2746 -3.2667 -3.2474 -3.2431 -3.1736 -3.1689 -3.1479 -3.1387 -3.0860 -3.0826 -2.4295 -2.4282 -2.1167 -2.1140 -2.0822 -2.0770 4.0155 4.0281 4.1039 4.1076 4.3068 4.3104 4.5299 4.5392 4.8183 4.8211 4.8224 4.8291 k = 0.0833 0.5000 0.0833 ( 8326 PWs) bands (ev): -17.2988 -17.2987 -17.2836 -17.2833 -17.2647 -17.2644 -17.2639 -17.2638 -8.6393 -8.6363 -8.5965 -8.5861 -8.4841 -8.4759 -8.3796 -8.3786 -8.0407 -8.0377 -7.9563 -7.9505 -7.3822 -7.3730 -7.3632 -7.3615 -7.3150 -7.3039 -7.2977 -7.2951 -6.9237 -6.9104 -6.6881 -6.6640 -4.8968 -4.8900 -4.8706 -4.8451 -4.2366 -4.2299 -3.6694 -3.6683 -3.5142 -3.5113 -3.4546 -3.4529 -3.2750 -3.2677 -3.2531 -3.2492 -3.1747 -3.1705 -3.1547 -3.1465 -3.0855 -3.0824 -2.4292 -2.4281 -2.1121 -2.1089 -2.0835 -2.0797 4.0196 4.0313 4.0876 4.0911 4.3018 4.3052 4.5150 4.5239 4.8168 4.8170 4.8349 4.8434 k = 0.0694 0.5000 0.0694 ( 8326 PWs) bands (ev): -17.2991 -17.2990 -17.2838 -17.2835 -17.2644 -17.2641 -17.2637 -17.2636 -8.6370 -8.6337 -8.6012 -8.5921 -8.4749 -8.4679 -8.3877 -8.3865 -8.0330 -8.0297 -7.9625 -7.9568 -7.3808 -7.3718 -7.3645 -7.3618 -7.3141 -7.3052 -7.2976 -7.2958 -6.9170 -6.9046 -6.6922 -6.6704 -4.8946 -4.8890 -4.8705 -4.8488 -4.2385 -4.2327 -3.6672 -3.6661 -3.5001 -3.4975 -3.4562 -3.4547 -3.2752 -3.2686 -3.2579 -3.2544 -3.1756 -3.1719 -3.1609 -3.1540 -3.0852 -3.0825 -2.4284 -2.4274 -2.1083 -2.1045 -2.0850 -2.0827 4.0238 4.0346 4.0736 4.0771 4.2969 4.2999 4.5025 4.5106 4.8132 4.8134 4.8484 4.8560 k = 0.0556 0.5000 0.0556 ( 8324 PWs) bands (ev): -17.2993 -17.2992 -17.2839 -17.2837 -17.2642 -17.2640 -17.2636 -17.2635 -8.6344 -8.6308 -8.6059 -8.5977 -8.4657 -8.4599 -8.3959 -8.3944 -8.0254 -8.0219 -7.9688 -7.9633 -7.3794 -7.3710 -7.3656 -7.3622 -7.3132 -7.3064 -7.2974 -7.2963 -6.9123 -6.9016 -6.6933 -6.6749 -4.8931 -4.8890 -4.8697 -4.8524 -4.2400 -4.2352 -3.6648 -3.6637 -3.4883 -3.4860 -3.4571 -3.4559 -3.2751 -3.2694 -3.2619 -3.2588 -3.1764 -3.1731 -3.1664 -3.1608 -3.0850 -3.0828 -2.4272 -2.4265 -2.1054 -2.1010 -2.0863 -2.0857 4.0279 4.0376 4.0622 4.0656 4.2925 4.2950 4.4925 4.4995 4.8103 4.8104 4.8600 4.8664 k = 0.0417 0.5000 0.0417 ( 8344 PWs) bands (ev): -17.2994 -17.2994 -17.2841 -17.2839 -17.2640 -17.2638 -17.2634 -17.2634 -8.6317 -8.6278 -8.6103 -8.6030 -8.4567 -8.4517 -8.4042 -8.4025 -8.0179 -8.0141 -7.9754 -7.9701 -7.3781 -7.3709 -7.3662 -7.3628 -7.3123 -7.3074 -7.2973 -7.2967 -6.9091 -6.9006 -6.6924 -6.6781 -4.8923 -4.8897 -4.8684 -4.8558 -4.2411 -4.2374 -3.6625 -3.6616 -3.4793 -3.4776 -3.4571 -3.4563 -3.2750 -3.2704 -3.2649 -3.2623 -3.1770 -3.1741 -3.1707 -3.1667 -3.0849 -3.0832 -2.4259 -2.4254 -2.1033 -2.0985 -2.0883 -2.0874 4.0315 4.0399 4.0534 4.0569 4.2887 4.2907 4.4850 4.4905 4.8079 4.8081 4.8694 4.8745 k = 0.0278 0.5000 0.0278 ( 8348 PWs) bands (ev): -17.2995 -17.2995 -17.2841 -17.2840 -17.2639 -17.2638 -17.2633 -17.2633 -8.6288 -8.6244 -8.6146 -8.6080 -8.4477 -8.4435 -8.4127 -8.4106 -8.0105 -8.0064 -7.9821 -7.9770 -7.3769 -7.3717 -7.3661 -7.3634 -7.3115 -7.3084 -7.2972 -7.2970 -6.9068 -6.9010 -6.6903 -6.6805 -4.8918 -4.8905 -4.8668 -4.8586 -4.2417 -4.2392 -3.6605 -3.6599 -3.4735 -3.4725 -3.4562 -3.4557 -3.2747 -3.2715 -3.2667 -3.2649 -3.1774 -3.1750 -3.1737 -3.1714 -3.0848 -3.0836 -2.4248 -2.4245 -2.1017 -2.0974 -2.0898 -2.0882 4.0342 4.0406 4.0480 4.0510 4.2858 4.2872 4.4799 4.4837 4.8062 4.8064 4.8767 4.8801 k = 0.0139 0.5000 0.0139 ( 8344 PWs) bands (ev): -17.2996 -17.2996 -17.2842 -17.2841 -17.2638 -17.2637 -17.2632 -17.2632 -8.6256 -8.6208 -8.6185 -8.6125 -8.4388 -8.4352 -8.4213 -8.4187 -8.0031 -7.9988 -7.9889 -7.9841 -7.3755 -7.3728 -7.3655 -7.3641 -7.3107 -7.3092 -7.2972 -7.2971 -6.9050 -6.9020 -6.6878 -6.6828 -4.8916 -4.8911 -4.8650 -4.8610 -4.2418 -4.2405 -3.6592 -3.6589 -3.4706 -3.4702 -3.4548 -3.4547 -3.2742 -3.2726 -3.2675 -3.2666 -3.1775 -3.1758 -3.1751 -3.1745 -3.0846 -3.0841 -2.4241 -2.4239 -2.1004 -2.0979 -2.0900 -2.0888 4.0359 4.0390 4.0465 4.0479 4.2842 4.2848 4.4773 4.4793 4.8052 4.8053 4.8814 4.8832 k = 0.0000 0.5000-0.0000 ( 8330 PWs) bands (ev): -17.2996 -17.2996 -17.2842 -17.2842 -17.2637 -17.2637 -17.2632 -17.2632 -8.6221 -8.6221 -8.6168 -8.6168 -8.4299 -8.4299 -8.4269 -8.4269 -7.9959 -7.9959 -7.9913 -7.9913 -7.3741 -7.3741 -7.3647 -7.3647 -7.3099 -7.3099 -7.2971 -7.2971 -6.9034 -6.9034 -6.6852 -6.6852 -4.8914 -4.8914 -4.8631 -4.8631 -4.2414 -4.2414 -3.6586 -3.6586 -3.4697 -3.4697 -3.4542 -3.4542 -3.2735 -3.2735 -3.2675 -3.2675 -3.1769 -3.1769 -3.1755 -3.1755 -3.0844 -3.0844 -2.4237 -2.4237 -2.0991 -2.0991 -2.0894 -2.0894 4.0372 4.0372 4.0468 4.0468 4.2838 4.2838 4.4772 4.4772 4.8049 4.8049 4.8836 4.8836 k = 0.5000 0.5000-0.0000 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2759 -17.2759 -17.2718 -17.2718 -17.2713 -17.2713 -8.6202 -8.6202 -8.6155 -8.6155 -8.4278 -8.4278 -8.4229 -8.4229 -7.9985 -7.9985 -7.9926 -7.9926 -7.3705 -7.3705 -7.3614 -7.3614 -7.3085 -7.3085 -7.2978 -7.2978 -6.9221 -6.9221 -6.7090 -6.7090 -4.8703 -4.8703 -4.8427 -4.8427 -4.1259 -4.1259 -3.7555 -3.7555 -3.7379 -3.7379 -3.4930 -3.4930 -3.1891 -3.1891 -3.1885 -3.1885 -3.1377 -3.1377 -3.0751 -3.0751 -3.0728 -3.0728 -2.5011 -2.5011 -2.0929 -2.0929 -2.0848 -2.0848 4.1232 4.1232 4.3624 4.3624 4.3830 4.3830 4.4169 4.4169 4.9776 4.9776 4.9963 4.9963 k = 0.5000 0.5000 0.0200 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2758 -17.2758 -17.2718 -17.2718 -17.2713 -17.2713 -8.6205 -8.6205 -8.6156 -8.6156 -8.4306 -8.4306 -8.4191 -8.4191 -8.0059 -8.0059 -7.9852 -7.9852 -7.3708 -7.3708 -7.3616 -7.3616 -7.3090 -7.3090 -7.2971 -7.2971 -6.9310 -6.9310 -6.6990 -6.6990 -4.8711 -4.8711 -4.8435 -4.8435 -4.1299 -4.1299 -3.7539 -3.7539 -3.7364 -3.7364 -3.4908 -3.4908 -3.1892 -3.1892 -3.1883 -3.1883 -3.1378 -3.1378 -3.0781 -3.0781 -3.0697 -3.0697 -2.5006 -2.5006 -2.0939 -2.0939 -2.0856 -2.0856 4.1233 4.1233 4.3629 4.3629 4.3827 4.3827 4.4179 4.4179 4.9793 4.9793 4.9979 4.9979 k = 0.5000 0.5000 0.0400 ( 8340 PWs) bands (ev): -17.2913 -17.2913 -17.2758 -17.2758 -17.2718 -17.2718 -17.2713 -17.2713 -8.6215 -8.6215 -8.6160 -8.6160 -8.4338 -8.4338 -8.4127 -8.4127 -8.0157 -8.0157 -7.9755 -7.9755 -7.3716 -7.3716 -7.3623 -7.3623 -7.3104 -7.3104 -7.2954 -7.2954 -6.9538 -6.9538 -6.6728 -6.6728 -4.8737 -4.8737 -4.8460 -4.8460 -4.1417 -4.1417 -3.7493 -3.7493 -3.7319 -3.7319 -3.4844 -3.4844 -3.1893 -3.1893 -3.1878 -3.1878 -3.1379 -3.1379 -3.0821 -3.0821 -3.0658 -3.0658 -2.4990 -2.4990 -2.0968 -2.0968 -2.0882 -2.0882 4.1237 4.1237 4.3642 4.3642 4.3819 4.3819 4.4211 4.4211 4.9844 4.9844 5.0026 5.0026 k = 0.5000 0.5000 0.0600 ( 8332 PWs) bands (ev): -17.2914 -17.2914 -17.2757 -17.2757 -17.2718 -17.2718 -17.2713 -17.2713 -8.6230 -8.6230 -8.6168 -8.6168 -8.4361 -8.4361 -8.4051 -8.4051 -8.0256 -8.0256 -7.9657 -7.9657 -7.3731 -7.3731 -7.3633 -7.3633 -7.3121 -7.3121 -7.2930 -7.2930 -6.9840 -6.9840 -6.6368 -6.6368 -4.8780 -4.8780 -4.8500 -4.8500 -4.1607 -4.1607 -3.7417 -3.7417 -3.7245 -3.7245 -3.4744 -3.4744 -3.1892 -3.1892 -3.1871 -3.1871 -3.1381 -3.1381 -3.0861 -3.0861 -3.0619 -3.0619 -2.4963 -2.4963 -2.1017 -2.1017 -2.0924 -2.0924 4.1245 4.1245 4.3658 4.3658 4.3805 4.3805 4.4269 4.4269 4.9928 4.9928 5.0089 5.0089 k = 0.5000 0.5000 0.0800 ( 8312 PWs) bands (ev): -17.2915 -17.2915 -17.2755 -17.2755 -17.2718 -17.2718 -17.2713 -17.2713 -8.6248 -8.6248 -8.6180 -8.6180 -8.4373 -8.4373 -8.3966 -8.3966 -8.0355 -8.0355 -7.9560 -7.9560 -7.3752 -7.3752 -7.3646 -7.3646 -7.3141 -7.3141 -7.2901 -7.2901 -7.0173 -7.0173 -6.5953 -6.5953 -4.8837 -4.8837 -4.8555 -4.8555 -4.1859 -4.1859 -3.7313 -3.7313 -3.7142 -3.7142 -3.4616 -3.4616 -3.1891 -3.1891 -3.1863 -3.1863 -3.1380 -3.1380 -3.0900 -3.0900 -3.0580 -3.0580 -2.4928 -2.4928 -2.1083 -2.1083 -2.0983 -2.0983 4.1258 4.1258 4.3670 4.3670 4.3787 4.3787 4.4356 4.4356 5.0043 5.0043 5.0070 5.0070 k = 0.5000 0.5000 0.1000 ( 8304 PWs) bands (ev): -17.2917 -17.2917 -17.2754 -17.2754 -17.2718 -17.2718 -17.2712 -17.2712 -8.6270 -8.6270 -8.6197 -8.6197 -8.4375 -8.4375 -8.3873 -8.3873 -8.0454 -8.0454 -7.9463 -7.9463 -7.3781 -7.3781 -7.3661 -7.3661 -7.3166 -7.3166 -7.2871 -7.2871 -7.0512 -7.0512 -6.5505 -6.5505 -4.8909 -4.8909 -4.8622 -4.8622 -4.2166 -4.2166 -3.7182 -3.7182 -3.7014 -3.7014 -3.4472 -3.4472 -3.1887 -3.1887 -3.1853 -3.1853 -3.1377 -3.1377 -3.0939 -3.0939 -3.0542 -3.0542 -2.4883 -2.4883 -2.1168 -2.1168 -2.1058 -2.1058 4.1278 4.1278 4.3675 4.3675 4.3766 4.3766 4.4475 4.4475 4.9973 4.9973 5.0192 5.0192 k = 0.5000 0.5000 0.1200 ( 8320 PWs) bands (ev): -17.2919 -17.2919 -17.2752 -17.2752 -17.2718 -17.2718 -17.2712 -17.2712 -8.6294 -8.6294 -8.6218 -8.6218 -8.4368 -8.4368 -8.3773 -8.3773 -8.0553 -8.0553 -7.9367 -7.9367 -7.3820 -7.3820 -7.3678 -7.3678 -7.3198 -7.3198 -7.2840 -7.2840 -7.0843 -7.0843 -6.5036 -6.5036 -4.8993 -4.8993 -4.8701 -4.8701 -4.2519 -4.2519 -3.7028 -3.7028 -3.6862 -3.6862 -3.4321 -3.4321 -3.1883 -3.1883 -3.1841 -3.1841 -3.1368 -3.1368 -3.0978 -3.0978 -3.0505 -3.0505 -2.4832 -2.4832 -2.1269 -2.1269 -2.1150 -2.1150 4.1307 4.1307 4.3671 4.3671 4.3743 4.3743 4.4623 4.4623 4.9860 4.9860 5.0368 5.0368 k = 0.5000 0.5000 0.1400 ( 8308 PWs) bands (ev): -17.2921 -17.2921 -17.2750 -17.2750 -17.2718 -17.2718 -17.2712 -17.2712 -8.6319 -8.6319 -8.6242 -8.6242 -8.4352 -8.4352 -8.3666 -8.3666 -8.0651 -8.0651 -7.9272 -7.9272 -7.3871 -7.3871 -7.3695 -7.3695 -7.3238 -7.3238 -7.2807 -7.2807 -7.1154 -7.1154 -6.4550 -6.4550 -4.9086 -4.9086 -4.8789 -4.8789 -4.2909 -4.2909 -3.6853 -3.6853 -3.6689 -3.6689 -3.4172 -3.4172 -3.1876 -3.1876 -3.1828 -3.1828 -3.1350 -3.1350 -3.1014 -3.1014 -3.0469 -3.0469 -2.4773 -2.4773 -2.1386 -2.1386 -2.1257 -2.1257 4.1346 4.1346 4.3659 4.3659 4.3719 4.3719 4.4798 4.4798 4.9737 4.9737 5.0358 5.0358 k = 0.5000 0.5000 0.1600 ( 8328 PWs) bands (ev): -17.2923 -17.2923 -17.2747 -17.2747 -17.2718 -17.2718 -17.2712 -17.2712 -8.6346 -8.6346 -8.6270 -8.6270 -8.4328 -8.4328 -8.3553 -8.3553 -8.0749 -8.0749 -7.9178 -7.9178 -7.3938 -7.3938 -7.3713 -7.3713 -7.3289 -7.3289 -7.2775 -7.2775 -7.1437 -7.1437 -6.4054 -6.4054 -4.9188 -4.9188 -4.8885 -4.8885 -4.3330 -4.3330 -3.6659 -3.6659 -3.6497 -3.6497 -3.4034 -3.4034 -3.1867 -3.1867 -3.1813 -3.1813 -3.1322 -3.1322 -3.1050 -3.1050 -3.0434 -3.0434 -2.4709 -2.4709 -2.1519 -2.1519 -2.1379 -2.1379 4.1396 4.1396 4.3641 4.3641 4.3695 4.3695 4.4995 4.4995 4.9610 4.9610 5.0189 5.0189 k = 0.5000 0.5000 0.1800 ( 8320 PWs) bands (ev): -17.2925 -17.2925 -17.2745 -17.2745 -17.2717 -17.2717 -17.2712 -17.2712 -8.6373 -8.6373 -8.6299 -8.6299 -8.4296 -8.4296 -8.3435 -8.3435 -8.0845 -8.0845 -7.9085 -7.9085 -7.4025 -7.4025 -7.3730 -7.3730 -7.3350 -7.3350 -7.2741 -7.2741 -7.1682 -7.1682 -6.3548 -6.3548 -4.9296 -4.9296 -4.8987 -4.8987 -4.3775 -4.3775 -3.6450 -3.6450 -3.6290 -3.6290 -3.3910 -3.3910 -3.1855 -3.1855 -3.1797 -3.1797 -3.1281 -3.1281 -3.1084 -3.1084 -3.0401 -3.0401 -2.4641 -2.4641 -2.1663 -2.1663 -2.1514 -2.1514 4.1459 4.1459 4.3620 4.3620 4.3672 4.3672 4.5211 4.5211 4.9481 4.9481 5.0003 5.0003 k = 0.5000 0.5000 0.2000 ( 8320 PWs) bands (ev): -17.2928 -17.2928 -17.2742 -17.2742 -17.2717 -17.2717 -17.2712 -17.2712 -8.6400 -8.6400 -8.6330 -8.6330 -8.4259 -8.4259 -8.3313 -8.3313 -8.0940 -8.0940 -7.8993 -7.8993 -7.4141 -7.4141 -7.3747 -7.3747 -7.3420 -7.3420 -7.2709 -7.2709 -7.1884 -7.1884 -6.3037 -6.3037 -4.9408 -4.9408 -4.9092 -4.9092 -4.4241 -4.4241 -3.6229 -3.6229 -3.6070 -3.6070 -3.3807 -3.3807 -3.1841 -3.1841 -3.1779 -3.1779 -3.1228 -3.1228 -3.1115 -3.1115 -3.0369 -3.0369 -2.4570 -2.4570 -2.1820 -2.1820 -2.1661 -2.1661 4.1535 4.1535 4.3596 4.3596 4.3649 4.3649 4.5442 4.5442 4.9351 4.9351 4.9800 4.9800 k = 0.5000 0.5000 0.2200 ( 8296 PWs) bands (ev): -17.2930 -17.2930 -17.2740 -17.2740 -17.2717 -17.2717 -17.2711 -17.2711 -8.6425 -8.6425 -8.6361 -8.6361 -8.4216 -8.4216 -8.3187 -8.3187 -8.1033 -8.1033 -7.8901 -7.8901 -7.4289 -7.4289 -7.3763 -7.3763 -7.3491 -7.3491 -7.2676 -7.2676 -7.2042 -7.2042 -6.2520 -6.2520 -4.9522 -4.9522 -4.9198 -4.9198 -4.4722 -4.4722 -3.5999 -3.5999 -3.5842 -3.5842 -3.3725 -3.3725 -3.1823 -3.1823 -3.1760 -3.1760 -3.1178 -3.1178 -3.1125 -3.1125 -3.0338 -3.0338 -2.4497 -2.4497 -2.1986 -2.1986 -2.1818 -2.1818 4.1625 4.1625 4.3571 4.3571 4.3628 4.3628 4.5683 4.5683 4.9223 4.9223 4.9586 4.9586 k = 0.5000 0.5000 0.2400 ( 8296 PWs) bands (ev): -17.2932 -17.2932 -17.2737 -17.2737 -17.2717 -17.2717 -17.2711 -17.2711 -8.6451 -8.6451 -8.6393 -8.6393 -8.4170 -8.4170 -8.3060 -8.3060 -8.1124 -8.1124 -7.8811 -7.8811 -7.4473 -7.4473 -7.3779 -7.3779 -7.3557 -7.3557 -7.2645 -7.2645 -7.2159 -7.2159 -6.2001 -6.2001 -4.9636 -4.9636 -4.9305 -4.9305 -4.5214 -4.5214 -3.5764 -3.5764 -3.5609 -3.5609 -3.3665 -3.3665 -3.1803 -3.1803 -3.1739 -3.1739 -3.1189 -3.1189 -3.1060 -3.1060 -3.0309 -3.0309 -2.4423 -2.4423 -2.2161 -2.2161 -2.1985 -2.1985 4.1729 4.1729 4.3547 4.3547 4.3606 4.3606 4.5932 4.5932 4.9094 4.9094 4.9363 4.9363 k = 0.5000 0.5000 0.2600 ( 8300 PWs) bands (ev): -17.2935 -17.2935 -17.2735 -17.2735 -17.2716 -17.2716 -17.2711 -17.2711 -8.6475 -8.6475 -8.6423 -8.6423 -8.4120 -8.4120 -8.2931 -8.2931 -8.1214 -8.1214 -7.8721 -7.8721 -7.4687 -7.4687 -7.3794 -7.3794 -7.3618 -7.3618 -7.2616 -7.2616 -7.2243 -7.2243 -6.1481 -6.1481 -4.9748 -4.9748 -4.9411 -4.9411 -4.5714 -4.5714 -3.5527 -3.5527 -3.5374 -3.5374 -3.3625 -3.3625 -3.1779 -3.1779 -3.1717 -3.1717 -3.1214 -3.1214 -3.0969 -3.0969 -3.0281 -3.0281 -2.4351 -2.4351 -2.2342 -2.2342 -2.2158 -2.2158 4.1845 4.1845 4.3524 4.3524 4.3586 4.3586 4.6183 4.6183 4.8956 4.8956 4.9145 4.9145 k = 0.5000 0.5000 0.2800 ( 8308 PWs) bands (ev): -17.2937 -17.2937 -17.2733 -17.2733 -17.2716 -17.2716 -17.2711 -17.2711 -8.6498 -8.6498 -8.6453 -8.6453 -8.4068 -8.4068 -8.2802 -8.2802 -8.1301 -8.1301 -7.8631 -7.8631 -7.4923 -7.4923 -7.3809 -7.3809 -7.3670 -7.3670 -7.2588 -7.2588 -7.2302 -7.2302 -6.0962 -6.0962 -4.9857 -4.9857 -4.9514 -4.9514 -4.6219 -4.6219 -3.5291 -3.5291 -3.5140 -3.5140 -3.3601 -3.3601 -3.1752 -3.1752 -3.1692 -3.1692 -3.1239 -3.1239 -3.0869 -3.0869 -3.0256 -3.0256 -2.4281 -2.4281 -2.2526 -2.2526 -2.2336 -2.2336 4.1975 4.1975 4.3502 4.3502 4.3567 4.3567 4.6432 4.6432 4.8784 4.8784 4.8962 4.8962 k = 0.5000 0.5000 0.3000 ( 8308 PWs) bands (ev): -17.2939 -17.2939 -17.2731 -17.2731 -17.2716 -17.2716 -17.2711 -17.2711 -8.6520 -8.6520 -8.6482 -8.6482 -8.4015 -8.4015 -8.2674 -8.2674 -8.1385 -8.1385 -7.8541 -7.8541 -7.5172 -7.5172 -7.3823 -7.3823 -7.3713 -7.3713 -7.2561 -7.2561 -7.2343 -7.2343 -6.0447 -6.0447 -4.9961 -4.9961 -4.9613 -4.9613 -4.6723 -4.6723 -3.5062 -3.5062 -3.4913 -3.4913 -3.3591 -3.3591 -3.1722 -3.1722 -3.1665 -3.1665 -3.1264 -3.1264 -3.0765 -3.0765 -3.0233 -3.0233 -2.4214 -2.4214 -2.2710 -2.2710 -2.2516 -2.2516 4.2116 4.2116 4.3482 4.3482 4.3549 4.3549 4.6675 4.6675 4.8565 4.8565 4.8830 4.8830 k = 0.5000 0.5000 0.3200 ( 8300 PWs) bands (ev): -17.2941 -17.2941 -17.2729 -17.2729 -17.2715 -17.2715 -17.2710 -17.2710 -8.6540 -8.6540 -8.6508 -8.6508 -8.3962 -8.3962 -8.2549 -8.2549 -8.1465 -8.1465 -7.8450 -7.8450 -7.5428 -7.5428 -7.3836 -7.3836 -7.3750 -7.3750 -7.2536 -7.2536 -7.2371 -7.2371 -5.9938 -5.9938 -5.0059 -5.0059 -4.9707 -4.9707 -4.7224 -4.7224 -3.4841 -3.4841 -3.4695 -3.4695 -3.3590 -3.3590 -3.1688 -3.1688 -3.1635 -3.1635 -3.1286 -3.1286 -3.0662 -3.0662 -3.0211 -3.0211 -2.4152 -2.4152 -2.2892 -2.2892 -2.2695 -2.2695 4.2268 4.2268 4.3464 4.3464 4.3533 4.3533 4.6904 4.6904 4.8330 4.8330 4.8725 4.8725 k = 0.5000 0.5000 0.3400 ( 8312 PWs) bands (ev): -17.2943 -17.2943 -17.2728 -17.2728 -17.2714 -17.2714 -17.2710 -17.2710 -8.6558 -8.6558 -8.6533 -8.6533 -8.3910 -8.3910 -8.2428 -8.2428 -8.1540 -8.1540 -7.8358 -7.8358 -7.5684 -7.5684 -7.3849 -7.3849 -7.3782 -7.3782 -7.2514 -7.2514 -7.2390 -7.2390 -5.9440 -5.9440 -5.0150 -5.0150 -4.9796 -4.9796 -4.7715 -4.7715 -3.4635 -3.4635 -3.4491 -3.4491 -3.3595 -3.3595 -3.1652 -3.1652 -3.1602 -3.1602 -3.1306 -3.1306 -3.0562 -3.0562 -3.0192 -3.0192 -2.4097 -2.4097 -2.3068 -2.3068 -2.2870 -2.2870 4.2427 4.2427 4.3448 4.3448 4.3519 4.3519 4.7106 4.7106 4.8106 4.8106 4.8634 4.8634 k = 0.5000 0.5000 0.3600 ( 8312 PWs) bands (ev): -17.2945 -17.2945 -17.2727 -17.2727 -17.2714 -17.2714 -17.2710 -17.2710 -8.6575 -8.6575 -8.6555 -8.6555 -8.3859 -8.3859 -8.2314 -8.2314 -8.1611 -8.1611 -7.8262 -7.8262 -7.5935 -7.5935 -7.3859 -7.3859 -7.3810 -7.3810 -7.2494 -7.2494 -7.2403 -7.2403 -5.8956 -5.8956 -5.0233 -5.0233 -4.9881 -4.9881 -4.8189 -4.8189 -3.4445 -3.4445 -3.4305 -3.4305 -3.3603 -3.3603 -3.1613 -3.1613 -3.1566 -3.1566 -3.1323 -3.1323 -3.0469 -3.0469 -3.0175 -3.0175 -2.4049 -2.4049 -2.3233 -2.3233 -2.3038 -2.3038 4.2591 4.2591 4.3434 4.3434 4.3506 4.3506 4.7247 4.7247 4.7928 4.7928 4.8555 4.8555 k = 0.5000 0.5000 0.3800 ( 8304 PWs) bands (ev): -17.2946 -17.2946 -17.2726 -17.2726 -17.2713 -17.2713 -17.2710 -17.2710 -8.6589 -8.6589 -8.6574 -8.6574 -8.3812 -8.3812 -8.2208 -8.2208 -8.1675 -8.1675 -7.8162 -7.8162 -7.6180 -7.6180 -7.3868 -7.3868 -7.3833 -7.3833 -7.2476 -7.2476 -7.2411 -7.2411 -5.8494 -5.8494 -5.0306 -5.0306 -4.9961 -4.9961 -4.8639 -4.8639 -3.4275 -3.4275 -3.4141 -3.4141 -3.3611 -3.3611 -3.1574 -3.1574 -3.1528 -3.1528 -3.1338 -3.1338 -3.0385 -3.0385 -3.0160 -3.0160 -2.4012 -2.4012 -2.3381 -2.3381 -2.3195 -2.3195 4.2758 4.2758 4.3423 4.3423 4.3495 4.3495 4.7259 4.7259 4.7869 4.7869 4.8487 4.8487 k = 0.5000 0.5000 0.4000 ( 8292 PWs) bands (ev): -17.2947 -17.2947 -17.2725 -17.2725 -17.2712 -17.2712 -17.2710 -17.2710 -8.6601 -8.6601 -8.6591 -8.6591 -8.3768 -8.3768 -8.2112 -8.2112 -8.1732 -8.1732 -7.8057 -7.8057 -7.6414 -7.6414 -7.3876 -7.3876 -7.3852 -7.3852 -7.2460 -7.2460 -7.2416 -7.2416 -5.8063 -5.8063 -5.0369 -5.0369 -5.0041 -5.0041 -4.9049 -4.9049 -3.4129 -3.4129 -3.4004 -3.4004 -3.3614 -3.3614 -3.1535 -3.1535 -3.1488 -3.1488 -3.1350 -3.1350 -3.0311 -3.0311 -3.0147 -3.0147 -2.3989 -2.3989 -2.3506 -2.3506 -2.3336 -2.3336 4.2920 4.2920 4.3415 4.3415 4.3486 4.3486 4.7134 4.7134 4.7938 4.7938 4.8428 4.8428 k = 0.5000 0.5000 0.4200 ( 8292 PWs) bands (ev): -17.2948 -17.2948 -17.2725 -17.2725 -17.2711 -17.2711 -17.2710 -17.2710 -8.6612 -8.6612 -8.6605 -8.6605 -8.3730 -8.3730 -8.2031 -8.2031 -8.1781 -8.1781 -7.7945 -7.7945 -7.6638 -7.6638 -7.3883 -7.3883 -7.3868 -7.3868 -7.2447 -7.2447 -7.2419 -7.2419 -5.7673 -5.7673 -5.0421 -5.0421 -5.0130 -5.0130 -4.9401 -4.9401 -3.4007 -3.4007 -3.3901 -3.3901 -3.3607 -3.3607 -3.1500 -3.1500 -3.1450 -3.1450 -3.1359 -3.1359 -3.0249 -3.0249 -3.0137 -3.0137 -2.3986 -2.3986 -2.3599 -2.3599 -2.3459 -2.3459 4.3071 4.3071 4.3410 4.3410 4.3479 4.3479 4.6964 4.6964 4.8047 4.8047 4.8381 4.8381 k = 0.5000 0.5000 0.4400 ( 8296 PWs) bands (ev): -17.2949 -17.2949 -17.2724 -17.2724 -17.2710 -17.2710 -17.2710 -17.2710 -8.6620 -8.6620 -8.6616 -8.6616 -8.3699 -8.3699 -8.1964 -8.1964 -8.1821 -8.1821 -7.7825 -7.7825 -7.6849 -7.6849 -7.3888 -7.3888 -7.3880 -7.3880 -7.2437 -7.2437 -7.2422 -7.2422 -5.7341 -5.7341 -5.0463 -5.0463 -5.0239 -5.0239 -4.9664 -4.9664 -3.3912 -3.3912 -3.3834 -3.3834 -3.3588 -3.3588 -3.1471 -3.1471 -3.1416 -3.1416 -3.1365 -3.1365 -3.0199 -3.0199 -3.0129 -3.0129 -2.4003 -2.4003 -2.3655 -2.3655 -2.3560 -2.3560 4.3201 4.3201 4.3411 4.3411 4.3473 4.3473 4.6800 4.6800 4.8149 4.8149 4.8343 4.8343 k = 0.5000 0.5000 0.4600 ( 8272 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2710 -17.2710 -17.2710 -17.2710 -8.6625 -8.6625 -8.6623 -8.6623 -8.3675 -8.3675 -8.1914 -8.1914 -8.1850 -8.1850 -7.7694 -7.7694 -7.7045 -7.7045 -7.3891 -7.3891 -7.3889 -7.3889 -7.2430 -7.2430 -7.2422 -7.2422 -5.7082 -5.7082 -5.0493 -5.0493 -5.0368 -5.0368 -4.9822 -4.9822 -3.3844 -3.3844 -3.3801 -3.3801 -3.3560 -3.3560 -3.1450 -3.1450 -3.1388 -3.1388 -3.1366 -3.1366 -3.0162 -3.0162 -3.0124 -3.0124 -2.4031 -2.4031 -2.3682 -2.3682 -2.3634 -2.3634 4.3292 4.3292 4.3423 4.3423 4.3469 4.3469 4.6667 4.6667 4.8228 4.8228 4.8317 4.8317 k = 0.5000 0.5000 0.4800 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2709 -17.2709 -17.2709 -17.2709 -8.6628 -8.6628 -8.6627 -8.6627 -8.3660 -8.3660 -8.1883 -8.1883 -8.1867 -8.1867 -7.7553 -7.7553 -7.7227 -7.7227 -7.3893 -7.3893 -7.3892 -7.3892 -7.2424 -7.2424 -7.2423 -7.2423 -5.6917 -5.6917 -5.0510 -5.0510 -5.0475 -5.0475 -4.9896 -4.9896 -3.3803 -3.3803 -3.3787 -3.3787 -3.3537 -3.3537 -3.1438 -3.1438 -3.1370 -3.1370 -3.1365 -3.1365 -3.0138 -3.0138 -3.0122 -3.0122 -2.4054 -2.4054 -2.3693 -2.3693 -2.3679 -2.3679 4.3334 4.3334 4.3450 4.3450 4.3466 4.3466 4.6581 4.6581 4.8278 4.8278 4.8301 4.8301 k = 0.5000 0.5000 0.5000 ( 8240 PWs) bands (ev): -17.2950 -17.2950 -17.2724 -17.2724 -17.2709 -17.2709 -17.2709 -17.2709 -8.6629 -8.6629 -8.6629 -8.6629 -8.3655 -8.3655 -8.1873 -8.1873 -8.1873 -8.1873 -7.7417 -7.7417 -7.7376 -7.7376 -7.3894 -7.3894 -7.3894 -7.3894 -7.2423 -7.2423 -7.2423 -7.2423 -5.6860 -5.6860 -5.0516 -5.0516 -5.0516 -5.0516 -4.9918 -4.9918 -3.3786 -3.3786 -3.3786 -3.3786 -3.3528 -3.3528 -3.1435 -3.1435 -3.1364 -3.1364 -3.1364 -3.1364 -3.0126 -3.0126 -3.0126 -3.0126 -2.4063 -2.4063 -2.3695 -2.3695 -2.3695 -2.3695 4.3343 4.3343 4.3465 4.3465 4.3465 4.3465 4.6551 4.6551 4.8295 4.8295 4.8295 4.8295 Writing output data file CdxCNx2.save init_run : 3.70s CPU 11.55s WALL ( 1 calls) electrons : 908.00s CPU 916.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.66s WALL ( 1 calls) Called by electrons: c_bands : 907.89s CPU 916.04s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.87s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.11s CPU 0.60s WALL ( 1 calls) newd : 1.08s CPU 1.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.14s WALL ( 197 calls) cegterg : 848.67s CPU 854.08s WALL ( 417 calls) Called by sum_band: Called by *egterg: h_psi : 446.38s CPU 452.36s WALL ( 5948 calls) s_psi : 33.30s CPU 33.44s WALL ( 5948 calls) g_psi : 0.98s CPU 1.02s WALL ( 5334 calls) cdiaghg : 265.51s CPU 264.84s WALL ( 5531 calls) cegterg:over : 70.49s CPU 69.55s WALL ( 5334 calls) cegterg:upda : 25.04s CPU 26.47s WALL ( 5334 calls) cegterg:last : 20.11s CPU 20.51s WALL ( 1112 calls) Called by h_psi: h_psi:vloc : 371.72s CPU 375.98s WALL ( 5948 calls) h_psi:vnl : 73.97s CPU 75.30s WALL ( 5948 calls) add_vuspsi : 26.41s CPU 28.36s WALL ( 5948 calls) General routines calbec : 47.53s CPU 46.81s WALL ( 5948 calls) fft : 0.21s CPU 1.15s WALL ( 19 calls) ffts : 0.05s CPU 0.06s WALL ( 4 calls) fftw : 338.49s CPU 339.77s WALL ( 959008 calls) interpolate : 0.18s CPU 0.19s WALL ( 4 calls) davcio : 0.02s CPU 1.81s WALL ( 394 calls) Parallel routines fft_scatter : 201.96s CPU 198.50s WALL ( 959031 calls) PWSCF : 16m13.09s CPU 18m16.43s WALL This run was terminated on: 18:23: 7 29Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=