Program PWSCF v.5.1.1 starts on 24Nov2015 at 19:43:41 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 12 9666 1387 212 Max 151 42 13 9673 1412 216 Sum 7245 2001 577 464125 67283 10251 bravais-lattice index = 14 lattice parameter (alat) = 11.9431 a.u. unit-cell volume = 1703.5220 (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)= 11.943068 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: 464125 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 67283 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 0.46 Mb ( 30000) Each G-vector array 0.07 Mb ( 9668) G-vector shells 0.01 Mb ( 1578) 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 41.8 secs Computing kpt #: 2 total cpu time spent up to now is 46.2 secs Computing kpt #: 3 total cpu time spent up to now is 50.5 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 59.3 secs Computing kpt #: 6 total cpu time spent up to now is 63.6 secs Computing kpt #: 7 total cpu time spent up to now is 67.9 secs Computing kpt #: 8 total cpu time spent up to now is 72.2 secs Computing kpt #: 9 total cpu time spent up to now is 76.6 secs Computing kpt #: 10 total cpu time spent up to now is 81.7 secs Computing kpt #: 11 total cpu time spent up to now is 86.3 secs Computing kpt #: 12 total cpu time spent up to now is 90.7 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 99.5 secs Computing kpt #: 15 total cpu time spent up to now is 103.9 secs Computing kpt #: 16 total cpu time spent up to now is 108.7 secs Computing kpt #: 17 total cpu time spent up to now is 113.1 secs Computing kpt #: 18 total cpu time spent up to now is 117.5 secs Computing kpt #: 19 total cpu time spent up to now is 121.9 secs Computing kpt #: 20 total cpu time spent up to now is 126.8 secs Computing kpt #: 21 total cpu time spent up to now is 131.7 secs Computing kpt #: 22 total cpu time spent up to now is 136.2 secs Computing kpt #: 23 total cpu time spent up to now is 141.0 secs Computing kpt #: 24 total cpu time spent up to now is 145.5 secs Computing kpt #: 25 total cpu time spent up to now is 150.0 secs Computing kpt #: 26 total cpu time spent up to now is 154.5 secs Computing kpt #: 27 total cpu time spent up to now is 158.9 secs Computing kpt #: 28 total cpu time spent up to now is 163.4 secs Computing kpt #: 29 total cpu time spent up to now is 168.1 secs Computing kpt #: 30 total cpu time spent up to now is 172.8 secs Computing kpt #: 31 total cpu time spent up to now is 177.9 secs Computing kpt #: 32 total cpu time spent up to now is 182.6 secs Computing kpt #: 33 total cpu time spent up to now is 187.3 secs Computing kpt #: 34 total cpu time spent up to now is 192.0 secs Computing kpt #: 35 total cpu time spent up to now is 196.6 secs Computing kpt #: 36 total cpu time spent up to now is 201.2 secs Computing kpt #: 37 total cpu time spent up to now is 205.7 secs Computing kpt #: 38 total cpu time spent up to now is 210.4 secs Computing kpt #: 39 total cpu time spent up to now is 215.3 secs Computing kpt #: 40 total cpu time spent up to now is 220.1 secs Computing kpt #: 41 total cpu time spent up to now is 225.0 secs Computing kpt #: 42 total cpu time spent up to now is 229.7 secs Computing kpt #: 43 total cpu time spent up to now is 234.4 secs Computing kpt #: 44 total cpu time spent up to now is 239.2 secs Computing kpt #: 45 total cpu time spent up to now is 244.2 secs Computing kpt #: 46 total cpu time spent up to now is 249.2 secs Computing kpt #: 47 total cpu time spent up to now is 254.1 secs Computing kpt #: 48 total cpu time spent up to now is 259.2 secs Computing kpt #: 49 total cpu time spent up to now is 265.8 secs Computing kpt #: 50 total cpu time spent up to now is 273.6 secs Computing kpt #: 51 total cpu time spent up to now is 282.4 secs Computing kpt #: 52 total cpu time spent up to now is 290.8 secs Computing kpt #: 53 total cpu time spent up to now is 299.6 secs Computing kpt #: 54 total cpu time spent up to now is 308.5 secs Computing kpt #: 55 total cpu time spent up to now is 318.2 secs Computing kpt #: 56 total cpu time spent up to now is 323.8 secs Computing kpt #: 57 total cpu time spent up to now is 329.3 secs Computing kpt #: 58 total cpu time spent up to now is 335.2 secs Computing kpt #: 59 total cpu time spent up to now is 340.3 secs Computing kpt #: 60 total cpu time spent up to now is 345.3 secs Computing kpt #: 61 total cpu time spent up to now is 350.2 secs Computing kpt #: 62 total cpu time spent up to now is 355.5 secs Computing kpt #: 63 total cpu time spent up to now is 360.7 secs Computing kpt #: 64 total cpu time spent up to now is 365.5 secs Computing kpt #: 65 total cpu time spent up to now is 370.1 secs Computing kpt #: 66 total cpu time spent up to now is 374.8 secs Computing kpt #: 67 total cpu time spent up to now is 379.3 secs Computing kpt #: 68 total cpu time spent up to now is 383.9 secs Computing kpt #: 69 total cpu time spent up to now is 388.6 secs Computing kpt #: 70 total cpu time spent up to now is 393.2 secs Computing kpt #: 71 total cpu time spent up to now is 397.9 secs Computing kpt #: 72 total cpu time spent up to now is 402.9 secs Computing kpt #: 73 total cpu time spent up to now is 407.4 secs Computing kpt #: 74 total cpu time spent up to now is 412.0 secs Computing kpt #: 75 total cpu time spent up to now is 416.4 secs Computing kpt #: 76 total cpu time spent up to now is 420.9 secs Computing kpt #: 77 total cpu time spent up to now is 425.3 secs Computing kpt #: 78 total cpu time spent up to now is 429.7 secs Computing kpt #: 79 total cpu time spent up to now is 434.3 secs Computing kpt #: 80 total cpu time spent up to now is 438.8 secs Computing kpt #: 81 total cpu time spent up to now is 443.4 secs Computing kpt #: 82 total cpu time spent up to now is 447.9 secs Computing kpt #: 83 total cpu time spent up to now is 452.1 secs Computing kpt #: 84 total cpu time spent up to now is 456.6 secs Computing kpt #: 85 total cpu time spent up to now is 460.9 secs Computing kpt #: 86 total cpu time spent up to now is 465.2 secs Computing kpt #: 87 total cpu time spent up to now is 469.5 secs Computing kpt #: 88 total cpu time spent up to now is 473.7 secs Computing kpt #: 89 total cpu time spent up to now is 477.9 secs Computing kpt #: 90 total cpu time spent up to now is 482.1 secs Computing kpt #: 91 total cpu time spent up to now is 486.4 secs Computing kpt #: 92 total cpu time spent up to now is 490.6 secs Computing kpt #: 93 total cpu time spent up to now is 494.8 secs Computing kpt #: 94 total cpu time spent up to now is 499.2 secs Computing kpt #: 95 total cpu time spent up to now is 504.1 secs Computing kpt #: 96 total cpu time spent up to now is 508.5 secs Computing kpt #: 97 total cpu time spent up to now is 512.9 secs Computing kpt #: 98 total cpu time spent up to now is 517.4 secs Computing kpt #: 99 total cpu time spent up to now is 521.8 secs Computing kpt #: 100 total cpu time spent up to now is 526.2 secs Computing kpt #: 101 total cpu time spent up to now is 530.7 secs Computing kpt #: 102 total cpu time spent up to now is 536.1 secs Computing kpt #: 103 total cpu time spent up to now is 541.2 secs Computing kpt #: 104 total cpu time spent up to now is 545.7 secs Computing kpt #: 105 total cpu time spent up to now is 550.7 secs Computing kpt #: 106 total cpu time spent up to now is 555.3 secs Computing kpt #: 107 total cpu time spent up to now is 559.8 secs Computing kpt #: 108 total cpu time spent up to now is 564.4 secs Computing kpt #: 109 total cpu time spent up to now is 568.8 secs Computing kpt #: 110 total cpu time spent up to now is 573.5 secs Computing kpt #: 111 total cpu time spent up to now is 578.0 secs Computing kpt #: 112 total cpu time spent up to now is 582.5 secs Computing kpt #: 113 total cpu time spent up to now is 587.8 secs Computing kpt #: 114 total cpu time spent up to now is 592.4 secs Computing kpt #: 115 total cpu time spent up to now is 597.0 secs Computing kpt #: 116 total cpu time spent up to now is 601.7 secs Computing kpt #: 117 total cpu time spent up to now is 606.4 secs Computing kpt #: 118 total cpu time spent up to now is 610.9 secs Computing kpt #: 119 total cpu time spent up to now is 617.9 secs Computing kpt #: 120 total cpu time spent up to now is 622.7 secs Computing kpt #: 121 total cpu time spent up to now is 627.6 secs Computing kpt #: 122 total cpu time spent up to now is 632.9 secs Computing kpt #: 123 total cpu time spent up to now is 638.0 secs Computing kpt #: 124 total cpu time spent up to now is 644.1 secs Computing kpt #: 125 total cpu time spent up to now is 649.1 secs Computing kpt #: 126 total cpu time spent up to now is 654.1 secs Computing kpt #: 127 total cpu time spent up to now is 658.8 secs Computing kpt #: 128 total cpu time spent up to now is 663.4 secs Computing kpt #: 129 total cpu time spent up to now is 668.0 secs Computing kpt #: 130 total cpu time spent up to now is 672.9 secs Computing kpt #: 131 total cpu time spent up to now is 677.4 secs Computing kpt #: 132 total cpu time spent up to now is 681.9 secs Computing kpt #: 133 total cpu time spent up to now is 686.4 secs Computing kpt #: 134 total cpu time spent up to now is 690.8 secs Computing kpt #: 135 total cpu time spent up to now is 695.1 secs Computing kpt #: 136 total cpu time spent up to now is 699.5 secs Computing kpt #: 137 total cpu time spent up to now is 704.0 secs Computing kpt #: 138 total cpu time spent up to now is 708.4 secs Computing kpt #: 139 total cpu time spent up to now is 712.9 secs Computing kpt #: 140 total cpu time spent up to now is 717.4 secs Computing kpt #: 141 total cpu time spent up to now is 722.0 secs Computing kpt #: 142 total cpu time spent up to now is 726.9 secs Computing kpt #: 143 total cpu time spent up to now is 731.5 secs Computing kpt #: 144 total cpu time spent up to now is 736.1 secs Computing kpt #: 145 total cpu time spent up to now is 741.1 secs Computing kpt #: 146 total cpu time spent up to now is 746.0 secs Computing kpt #: 147 total cpu time spent up to now is 751.2 secs Computing kpt #: 148 total cpu time spent up to now is 756.8 secs Computing kpt #: 149 total cpu time spent up to now is 762.3 secs Computing kpt #: 150 total cpu time spent up to now is 767.3 secs Computing kpt #: 151 total cpu time spent up to now is 772.1 secs Computing kpt #: 152 total cpu time spent up to now is 777.3 secs Computing kpt #: 153 total cpu time spent up to now is 782.3 secs Computing kpt #: 154 total cpu time spent up to now is 787.4 secs Computing kpt #: 155 total cpu time spent up to now is 792.2 secs Computing kpt #: 156 total cpu time spent up to now is 796.9 secs Computing kpt #: 157 total cpu time spent up to now is 801.7 secs Computing kpt #: 158 total cpu time spent up to now is 806.3 secs Computing kpt #: 159 total cpu time spent up to now is 811.0 secs Computing kpt #: 160 total cpu time spent up to now is 816.0 secs Computing kpt #: 161 total cpu time spent up to now is 820.8 secs Computing kpt #: 162 total cpu time spent up to now is 825.9 secs Computing kpt #: 163 total cpu time spent up to now is 830.6 secs Computing kpt #: 164 total cpu time spent up to now is 835.5 secs Computing kpt #: 165 total cpu time spent up to now is 840.6 secs Computing kpt #: 166 total cpu time spent up to now is 845.4 secs Computing kpt #: 167 total cpu time spent up to now is 850.2 secs Computing kpt #: 168 total cpu time spent up to now is 855.0 secs Computing kpt #: 169 total cpu time spent up to now is 859.5 secs Computing kpt #: 170 total cpu time spent up to now is 864.2 secs Computing kpt #: 171 total cpu time spent up to now is 869.0 secs Computing kpt #: 172 total cpu time spent up to now is 876.4 secs Computing kpt #: 173 total cpu time spent up to now is 882.3 secs Computing kpt #: 174 total cpu time spent up to now is 890.2 secs Computing kpt #: 175 total cpu time spent up to now is 895.9 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 906.1 secs Computing kpt #: 177 total cpu time spent up to now is 912.3 secs Computing kpt #: 178 total cpu time spent up to now is 921.0 secs Computing kpt #: 179 total cpu time spent up to now is 926.7 secs Computing kpt #: 180 total cpu time spent up to now is 932.3 secs Computing kpt #: 181 total cpu time spent up to now is 937.5 secs Computing kpt #: 182 total cpu time spent up to now is 944.6 secs Computing kpt #: 183 total cpu time spent up to now is 950.9 secs Computing kpt #: 184 total cpu time spent up to now is 957.5 secs Computing kpt #: 185 total cpu time spent up to now is 964.8 secs Computing kpt #: 186 total cpu time spent up to now is 970.4 secs Computing kpt #: 187 total cpu time spent up to now is 975.5 secs Computing kpt #: 188 total cpu time spent up to now is 980.5 secs Computing kpt #: 189 total cpu time spent up to now is 985.8 secs Computing kpt #: 190 total cpu time spent up to now is 990.6 secs Computing kpt #: 191 total cpu time spent up to now is 995.4 secs Computing kpt #: 192 total cpu time spent up to now is 1000.4 secs Computing kpt #: 193 total cpu time spent up to now is 1004.9 secs Computing kpt #: 194 total cpu time spent up to now is 1009.5 secs Computing kpt #: 195 total cpu time spent up to now is 1014.1 secs Computing kpt #: 196 total cpu time spent up to now is 1018.9 secs Computing kpt #: 197 total cpu time spent up to now is 1023.6 secs ethr = 1.67E-11, avg # of iterations = 29.0 total cpu time spent up to now is 1023.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -18.0051 -18.0051 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5158 -8.5158 -8.1931 -8.1931 -7.9412 -7.9412 -7.9412 -7.9412 -7.4757 -7.4757 -7.4063 -7.4063 -7.3983 -7.3983 -7.3983 -7.3983 -7.0226 -7.0226 -7.0226 -7.0226 -5.5817 -5.5817 -4.8861 -4.8861 -4.8861 -4.8861 -4.8311 -4.8311 -3.7554 -3.7554 -3.7554 -3.7554 -3.7024 -3.7024 -3.6950 -3.6950 -3.6950 -3.6950 -3.5043 -3.5043 -3.5043 -3.5043 -3.4795 -3.4795 -2.4629 -2.4629 -2.4264 -2.4264 -2.4264 -2.4264 4.2684 4.2684 4.2896 4.2896 4.2896 4.2896 4.4911 4.4911 5.2402 5.2402 5.2402 5.2402 k = 0.0000 0.0200-0.0000 ( 8385 PWs) bands (ev): -18.0050 -18.0050 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5158 -8.5158 -8.1932 -8.1932 -7.9417 -7.9417 -7.9410 -7.9410 -7.4785 -7.4785 -7.4043 -7.4043 -7.3980 -7.3980 -7.3967 -7.3967 -7.0227 -7.0227 -7.0225 -7.0225 -5.5848 -5.5848 -4.8859 -4.8859 -4.8840 -4.8840 -4.8301 -4.8301 -3.7558 -3.7558 -3.7553 -3.7553 -3.7025 -3.7025 -3.6952 -3.6952 -3.6951 -3.6951 -3.5050 -3.5050 -3.5044 -3.5044 -3.4799 -3.4799 -2.4625 -2.4625 -2.4265 -2.4265 -2.4256 -2.4256 4.2689 4.2689 4.2900 4.2900 4.2904 4.2904 4.4924 4.4924 5.2397 5.2397 5.2406 5.2406 k = 0.0000 0.0400-0.0000 ( 8385 PWs) bands (ev): -18.0049 -18.0049 -17.9604 -17.9604 -17.9592 -17.9592 -17.9591 -17.9591 -8.5156 -8.5156 -8.5156 -8.5156 -8.1938 -8.1938 -7.9433 -7.9433 -7.9402 -7.9402 -7.4856 -7.4856 -7.4023 -7.4023 -7.3974 -7.3974 -7.3892 -7.3892 -7.0228 -7.0228 -7.0223 -7.0223 -5.5939 -5.5939 -4.8850 -4.8850 -4.8782 -4.8782 -4.8268 -4.8268 -3.7571 -3.7571 -3.7552 -3.7552 -3.7030 -3.7030 -3.6958 -3.6958 -3.6955 -3.6955 -3.5071 -3.5071 -3.5049 -3.5049 -3.4810 -3.4810 -2.4613 -2.4613 -2.4264 -2.4264 -2.4230 -2.4230 4.2706 4.2706 4.2911 4.2911 4.2928 4.2928 4.4962 4.4962 5.2382 5.2382 5.2418 5.2418 k = 0.0000 0.0600-0.0000 ( 8373 PWs) bands (ev): -18.0047 -18.0047 -17.9604 -17.9604 -17.9593 -17.9593 -17.9591 -17.9591 -8.5154 -8.5154 -8.5153 -8.5153 -8.1946 -8.1946 -7.9459 -7.9459 -7.9390 -7.9390 -7.4949 -7.4949 -7.4018 -7.4018 -7.3964 -7.3964 -7.3763 -7.3763 -7.0230 -7.0230 -7.0219 -7.0219 -5.6086 -5.6086 -4.8835 -4.8835 -4.8699 -4.8699 -4.8204 -4.8204 -3.7592 -3.7592 -3.7549 -3.7549 -3.7039 -3.7039 -3.6968 -3.6968 -3.6960 -3.6960 -3.5106 -3.5106 -3.5061 -3.5061 -3.4824 -3.4824 -2.4599 -2.4599 -2.4259 -2.4259 -2.4189 -2.4189 4.2732 4.2732 4.2931 4.2931 4.2969 4.2969 4.5025 4.5025 5.2356 5.2356 5.2437 5.2437 k = 0.0000 0.0800-0.0000 ( 8365 PWs) bands (ev): -18.0045 -18.0045 -17.9606 -17.9606 -17.9594 -17.9594 -17.9591 -17.9591 -8.5150 -8.5150 -8.5149 -8.5149 -8.1958 -8.1958 -7.9493 -7.9493 -7.9373 -7.9373 -7.5050 -7.5050 -7.4016 -7.4016 -7.3952 -7.3952 -7.3607 -7.3607 -7.0233 -7.0233 -7.0213 -7.0213 -5.6282 -5.6282 -4.8815 -4.8815 -4.8611 -4.8611 -4.8095 -4.8095 -3.7621 -3.7621 -3.7546 -3.7546 -3.7052 -3.7052 -3.6982 -3.6982 -3.6967 -3.6967 -3.5153 -3.5153 -3.5084 -3.5084 -3.4836 -3.4836 -2.4590 -2.4590 -2.4241 -2.4241 -2.4132 -2.4132 4.2767 4.2767 4.2958 4.2958 4.3028 4.3028 4.5112 4.5112 5.2319 5.2319 5.2464 5.2464 k = 0.0000 0.1000-0.0000 ( 8361 PWs) bands (ev): -18.0041 -18.0041 -17.9608 -17.9608 -17.9595 -17.9595 -17.9591 -17.9591 -8.5145 -8.5145 -8.5144 -8.5144 -8.1973 -8.1973 -7.9537 -7.9537 -7.9352 -7.9352 -7.5152 -7.5152 -7.4013 -7.4013 -7.3937 -7.3937 -7.3434 -7.3434 -7.0236 -7.0236 -7.0205 -7.0205 -5.6520 -5.6520 -4.8790 -4.8790 -4.8536 -4.8536 -4.7934 -4.7934 -3.7658 -3.7658 -3.7541 -3.7541 -3.7071 -3.7071 -3.7001 -3.7001 -3.6976 -3.6976 -3.5210 -3.5210 -3.5122 -3.5122 -3.4841 -3.4841 -2.4595 -2.4595 -2.4204 -2.4204 -2.4062 -2.4062 4.2809 4.2809 4.2992 4.2992 4.3106 4.3106 4.5223 4.5223 5.2271 5.2271 5.2498 5.2498 k = 0.0000 0.1200-0.0000 ( 8377 PWs) bands (ev): -18.0037 -18.0037 -17.9611 -17.9611 -17.9596 -17.9596 -17.9591 -17.9591 -8.5140 -8.5140 -8.5139 -8.5139 -8.1992 -8.1992 -7.9588 -7.9588 -7.9328 -7.9328 -7.5253 -7.5253 -7.4011 -7.4011 -7.3922 -7.3922 -7.3251 -7.3251 -7.0241 -7.0241 -7.0194 -7.0194 -5.6792 -5.6792 -4.8760 -4.8760 -4.8475 -4.8475 -4.7725 -4.7725 -3.7704 -3.7704 -3.7536 -3.7536 -3.7094 -3.7094 -3.7024 -3.7024 -3.6986 -3.6986 -3.5277 -3.5277 -3.5177 -3.5177 -3.4836 -3.4836 -2.4617 -2.4617 -2.4145 -2.4145 -2.3980 -2.3980 4.2857 4.2857 4.3033 4.3033 4.3202 4.3202 4.5356 4.5356 5.2212 5.2212 5.2539 5.2539 k = 0.0000 0.1400-0.0000 ( 8401 PWs) bands (ev): -18.0032 -18.0032 -17.9615 -17.9615 -17.9597 -17.9597 -17.9591 -17.9591 -8.5134 -8.5134 -8.5132 -8.5132 -8.2012 -8.2012 -7.9646 -7.9646 -7.9301 -7.9301 -7.5350 -7.5350 -7.4008 -7.4008 -7.3904 -7.3904 -7.3060 -7.3060 -7.0247 -7.0247 -7.0181 -7.0181 -5.7090 -5.7090 -4.8725 -4.8725 -4.8424 -4.8424 -4.7481 -4.7481 -3.7756 -3.7756 -3.7530 -3.7530 -3.7124 -3.7124 -3.7053 -3.7053 -3.6996 -3.6996 -3.5350 -3.5350 -3.5244 -3.5244 -3.4822 -3.4822 -2.4656 -2.4656 -2.4066 -2.4066 -2.3887 -2.3887 4.2910 4.2910 4.3081 4.3081 4.3317 4.3317 4.5511 4.5511 5.2140 5.2140 5.2587 5.2587 k = 0.0000 0.1600-0.0000 ( 8393 PWs) bands (ev): -18.0027 -18.0027 -17.9620 -17.9620 -17.9597 -17.9597 -17.9591 -17.9591 -8.5127 -8.5127 -8.5124 -8.5124 -8.2034 -8.2034 -7.9708 -7.9708 -7.9269 -7.9269 -7.5443 -7.5443 -7.4004 -7.4004 -7.3885 -7.3885 -7.2863 -7.2863 -7.0253 -7.0253 -7.0162 -7.0162 -5.7410 -5.7410 -4.8686 -4.8686 -4.8377 -4.8377 -4.7213 -4.7213 -3.7816 -3.7816 -3.7522 -3.7522 -3.7159 -3.7159 -3.7086 -3.7086 -3.7007 -3.7007 -3.5428 -3.5428 -3.5319 -3.5319 -3.4800 -3.4800 -2.4707 -2.4707 -2.3972 -2.3972 -2.3786 -2.3786 4.2969 4.2969 4.3134 4.3134 4.3450 4.3450 4.5685 4.5685 5.2056 5.2056 5.2641 5.2641 k = 0.0000 0.1800-0.0000 ( 8401 PWs) bands (ev): -18.0021 -18.0021 -17.9626 -17.9626 -17.9598 -17.9598 -17.9591 -17.9591 -8.5119 -8.5119 -8.5116 -8.5116 -8.2058 -8.2058 -7.9774 -7.9774 -7.9236 -7.9236 -7.5532 -7.5532 -7.4000 -7.4000 -7.3865 -7.3865 -7.2665 -7.2665 -7.0259 -7.0259 -7.0138 -7.0138 -5.7744 -5.7744 -4.8643 -4.8643 -4.8332 -4.8332 -4.6930 -4.6930 -3.7882 -3.7882 -3.7514 -3.7514 -3.7201 -3.7201 -3.7125 -3.7125 -3.7018 -3.7018 -3.5508 -3.5508 -3.5401 -3.5401 -3.4773 -3.4773 -2.4769 -2.4769 -2.3867 -2.3867 -2.3678 -2.3678 4.3033 4.3033 4.3193 4.3193 4.3599 4.3599 4.5877 4.5877 5.1960 5.1960 5.2701 5.2701 k = 0.0000 0.2000-0.0000 ( 8405 PWs) bands (ev): -18.0014 -18.0014 -17.9632 -17.9632 -17.9598 -17.9598 -17.9591 -17.9591 -8.5111 -8.5111 -8.5107 -8.5107 -8.2082 -8.2082 -7.9843 -7.9843 -7.9200 -7.9200 -7.5616 -7.5616 -7.3995 -7.3995 -7.3844 -7.3844 -7.2468 -7.2468 -7.0265 -7.0265 -7.0106 -7.0106 -5.8089 -5.8089 -4.8597 -4.8597 -4.8287 -4.8287 -4.6638 -4.6638 -3.7955 -3.7955 -3.7505 -3.7505 -3.7249 -3.7249 -3.7169 -3.7169 -3.7030 -3.7030 -3.5588 -3.5588 -3.5485 -3.5485 -3.4742 -3.4742 -2.4839 -2.4839 -2.3754 -2.3754 -2.3565 -2.3565 4.3102 4.3102 4.3257 4.3257 4.3764 4.3764 4.6085 4.6085 5.1851 5.1851 5.2765 5.2765 k = 0.0000 0.2200-0.0000 ( 8413 PWs) bands (ev): -18.0007 -18.0007 -17.9639 -17.9639 -17.9598 -17.9598 -17.9591 -17.9591 -8.5102 -8.5102 -8.5097 -8.5097 -8.2108 -8.2108 -7.9914 -7.9914 -7.9163 -7.9163 -7.5697 -7.5697 -7.3990 -7.3990 -7.3822 -7.3822 -7.2274 -7.2274 -7.0272 -7.0272 -7.0065 -7.0065 -5.8440 -5.8440 -4.8549 -4.8549 -4.8242 -4.8242 -4.6343 -4.6343 -3.8032 -3.8032 -3.7495 -3.7495 -3.7302 -3.7302 -3.7219 -3.7219 -3.7043 -3.7043 -3.5667 -3.5667 -3.5568 -3.5568 -3.4707 -3.4707 -2.4915 -2.4915 -2.3637 -2.3637 -2.3451 -2.3451 4.3174 4.3174 4.3325 4.3325 4.3943 4.3943 4.6306 4.6306 5.1730 5.1730 5.2835 5.2835 k = 0.0000 0.2400-0.0000 ( 8421 PWs) bands (ev): -17.9999 -17.9999 -17.9647 -17.9647 -17.9598 -17.9598 -17.9591 -17.9591 -8.5093 -8.5093 -8.5087 -8.5087 -8.2134 -8.2134 -7.9985 -7.9985 -7.9124 -7.9124 -7.5773 -7.5773 -7.3984 -7.3984 -7.3800 -7.3800 -7.2088 -7.2088 -7.0279 -7.0279 -7.0013 -7.0013 -5.8794 -5.8794 -4.8499 -4.8499 -4.8198 -4.8198 -4.6049 -4.6049 -3.8114 -3.8114 -3.7484 -3.7484 -3.7361 -3.7361 -3.7274 -3.7274 -3.7057 -3.7057 -3.5742 -3.5742 -3.5649 -3.5649 -3.4669 -3.4669 -2.4995 -2.4995 -2.3517 -2.3517 -2.3335 -2.3335 4.3250 4.3250 4.3396 4.3396 4.4135 4.4135 4.6539 4.6539 5.1596 5.1596 5.2908 5.2908 k = 0.0000 0.2600-0.0000 ( 8421 PWs) bands (ev): -17.9991 -17.9991 -17.9655 -17.9655 -17.9598 -17.9598 -17.9592 -17.9592 -8.5084 -8.5084 -8.5077 -8.5077 -8.2159 -8.2159 -8.0055 -8.0055 -7.9085 -7.9085 -7.5845 -7.5845 -7.3978 -7.3978 -7.3778 -7.3778 -7.1914 -7.1914 -7.0286 -7.0286 -6.9948 -6.9948 -5.9146 -5.9146 -4.8448 -4.8448 -4.8153 -4.8153 -4.5759 -4.5759 -3.8200 -3.8200 -3.7473 -3.7473 -3.7424 -3.7424 -3.7334 -3.7334 -3.7070 -3.7070 -3.5812 -3.5812 -3.5726 -3.5726 -3.4628 -3.4628 -2.5077 -2.5077 -2.3397 -2.3397 -2.3221 -2.3221 4.3329 4.3329 4.3469 4.3469 4.4338 4.4338 4.6779 4.6779 5.1449 5.1449 5.2983 5.2983 k = 0.0000 0.2800-0.0000 ( 8417 PWs) bands (ev): -17.9982 -17.9982 -17.9663 -17.9663 -17.9598 -17.9598 -17.9592 -17.9592 -8.5074 -8.5074 -8.5067 -8.5067 -8.2184 -8.2184 -8.0123 -8.0123 -7.9046 -7.9046 -7.5912 -7.5912 -7.3973 -7.3973 -7.3757 -7.3757 -7.1755 -7.1755 -7.0293 -7.0293 -6.9866 -6.9866 -5.9495 -5.9495 -4.8396 -4.8396 -4.8108 -4.8108 -4.5476 -4.5476 -3.8289 -3.8289 -3.7494 -3.7494 -3.7457 -3.7457 -3.7397 -3.7397 -3.7085 -3.7085 -3.5876 -3.5876 -3.5796 -3.5796 -3.4586 -3.4586 -2.5161 -2.5161 -2.3278 -2.3278 -2.3109 -2.3109 4.3409 4.3409 4.3543 4.3543 4.4550 4.4550 4.7025 4.7025 5.1292 5.1292 5.3060 5.3060 k = 0.0000 0.3000-0.0000 ( 8405 PWs) bands (ev): -17.9974 -17.9974 -17.9672 -17.9672 -17.9598 -17.9598 -17.9592 -17.9592 -8.5065 -8.5065 -8.5056 -8.5056 -8.2208 -8.2208 -8.0188 -8.0188 -7.9007 -7.9007 -7.5975 -7.5975 -7.3967 -7.3967 -7.3736 -7.3736 -7.1614 -7.1614 -7.0300 -7.0300 -6.9768 -6.9768 -5.9836 -5.9836 -4.8345 -4.8345 -4.8065 -4.8065 -4.5204 -4.5204 -3.8379 -3.8379 -3.7562 -3.7562 -3.7463 -3.7463 -3.7445 -3.7445 -3.7100 -3.7100 -3.5935 -3.5935 -3.5860 -3.5860 -3.4543 -3.4543 -2.5245 -2.5245 -2.3164 -2.3164 -2.3002 -2.3002 4.3489 4.3489 4.3616 4.3616 4.4770 4.4770 4.7274 4.7274 5.1123 5.1123 5.3138 5.3138 k = 0.0000 0.3200-0.0000 ( 8413 PWs) bands (ev): -17.9965 -17.9965 -17.9681 -17.9681 -17.9598 -17.9598 -17.9592 -17.9592 -8.5056 -8.5056 -8.5047 -8.5047 -8.2232 -8.2232 -8.0250 -8.0250 -7.8970 -7.8970 -7.6034 -7.6034 -7.3961 -7.3961 -7.3717 -7.3717 -7.1493 -7.1493 -7.0307 -7.0307 -6.9654 -6.9654 -6.0165 -6.0165 -4.8296 -4.8296 -4.8023 -4.8023 -4.4945 -4.4945 -3.8470 -3.8470 -3.7632 -3.7632 -3.7531 -3.7531 -3.7432 -3.7432 -3.7116 -3.7116 -3.5987 -3.5987 -3.5918 -3.5918 -3.4501 -3.4501 -2.5328 -2.5328 -2.3054 -2.3054 -2.2901 -2.2901 4.3569 4.3569 4.3688 4.3688 4.4993 4.4993 4.7520 4.7520 5.0945 5.0945 5.3215 5.3215 k = 0.0000 0.3400-0.0000 ( 8429 PWs) bands (ev): -17.9956 -17.9956 -17.9689 -17.9689 -17.9598 -17.9598 -17.9592 -17.9592 -8.5047 -8.5047 -8.5038 -8.5038 -8.2254 -8.2254 -8.0307 -8.0307 -7.8934 -7.8934 -7.6088 -7.6088 -7.3955 -7.3955 -7.3699 -7.3699 -7.1393 -7.1393 -7.0314 -7.0314 -6.9527 -6.9527 -6.0480 -6.0480 -4.8249 -4.8249 -4.7984 -4.7984 -4.4701 -4.4701 -3.8560 -3.8560 -3.7702 -3.7702 -3.7598 -3.7598 -3.7418 -3.7418 -3.7132 -3.7132 -3.6032 -3.6032 -3.5968 -3.5968 -3.4459 -3.4459 -2.5407 -2.5407 -2.2953 -2.2953 -2.2807 -2.2807 4.3646 4.3646 4.3757 4.3757 4.5218 4.5218 4.7762 4.7762 5.0759 5.0759 5.3290 5.3290 k = 0.0000 0.3600-0.0000 ( 8421 PWs) bands (ev): -17.9947 -17.9947 -17.9698 -17.9698 -17.9598 -17.9598 -17.9592 -17.9592 -8.5039 -8.5039 -8.5029 -8.5029 -8.2273 -8.2273 -8.0359 -8.0359 -7.8901 -7.8901 -7.6136 -7.6136 -7.3950 -7.3950 -7.3682 -7.3682 -7.1313 -7.1313 -7.0320 -7.0320 -6.9390 -6.9390 -6.0775 -6.0775 -4.8204 -4.8204 -4.7947 -4.7947 -4.4476 -4.4476 -3.8646 -3.8646 -3.7768 -3.7768 -3.7662 -3.7662 -3.7403 -3.7403 -3.7148 -3.7148 -3.6071 -3.6071 -3.6011 -3.6011 -3.4419 -3.4419 -2.5481 -2.5481 -2.2859 -2.2859 -2.2722 -2.2722 4.3720 4.3720 4.3822 4.3822 4.5441 4.5441 4.7995 4.7995 5.0567 5.0567 5.3361 5.3361 k = 0.0000 0.3800-0.0000 ( 8413 PWs) bands (ev): -17.9938 -17.9938 -17.9707 -17.9707 -17.9598 -17.9598 -17.9592 -17.9592 -8.5032 -8.5032 -8.5020 -8.5020 -8.2291 -8.2291 -8.0406 -8.0406 -7.8870 -7.8870 -7.6179 -7.6179 -7.3945 -7.3945 -7.3668 -7.3668 -7.1249 -7.1249 -7.0325 -7.0325 -6.9251 -6.9251 -6.1047 -6.1047 -4.8164 -4.8164 -4.7913 -4.7913 -4.4273 -4.4273 -3.8729 -3.8729 -3.7829 -3.7829 -3.7723 -3.7723 -3.7388 -3.7388 -3.7164 -3.7164 -3.6104 -3.6104 -3.6047 -3.6047 -3.4382 -3.4382 -2.5549 -2.5549 -2.2775 -2.2775 -2.2646 -2.2646 4.3789 4.3789 4.3881 4.3881 4.5657 4.5657 4.8217 4.8217 5.0372 5.0372 5.3428 5.3428 k = 0.0000 0.4000-0.0000 ( 8430 PWs) bands (ev): -17.9930 -17.9930 -17.9715 -17.9715 -17.9597 -17.9597 -17.9592 -17.9592 -8.5025 -8.5025 -8.5014 -8.5014 -8.2307 -8.2307 -8.0446 -8.0446 -7.8844 -7.8844 -7.6217 -7.6217 -7.3942 -7.3942 -7.3655 -7.3655 -7.1201 -7.1201 -7.0331 -7.0331 -6.9115 -6.9115 -6.1290 -6.1290 -4.8128 -4.8128 -4.7884 -4.7884 -4.4095 -4.4095 -3.8804 -3.8804 -3.7884 -3.7884 -3.7777 -3.7777 -3.7373 -3.7373 -3.7181 -3.7181 -3.6131 -3.6131 -3.6077 -3.6077 -3.4349 -3.4349 -2.5609 -2.5609 -2.2702 -2.2702 -2.2581 -2.2581 4.3851 4.3851 4.3932 4.3932 4.5861 4.5861 4.8426 4.8426 5.0176 5.0176 5.3487 5.3487 k = 0.0000 0.4200-0.0000 ( 8398 PWs) bands (ev): -17.9923 -17.9923 -17.9722 -17.9722 -17.9597 -17.9597 -17.9592 -17.9592 -8.5019 -8.5019 -8.5007 -8.5007 -8.2319 -8.2319 -8.0479 -8.0479 -7.8820 -7.8820 -7.6248 -7.6248 -7.3938 -7.3938 -7.3642 -7.3642 -7.1164 -7.1164 -7.0333 -7.0333 -6.8990 -6.8990 -6.1500 -6.1500 -4.8097 -4.8097 -4.7859 -4.7859 -4.3943 -4.3943 -3.8870 -3.8870 -3.7931 -3.7931 -3.7824 -3.7824 -3.7358 -3.7358 -3.7197 -3.7197 -3.6152 -3.6152 -3.6101 -3.6101 -3.4320 -3.4320 -2.5660 -2.5660 -2.2640 -2.2640 -2.2527 -2.2527 4.3906 4.3906 4.3976 4.3976 4.6046 4.6046 4.8619 4.8619 4.9982 4.9982 5.3538 5.3538 k = 0.0000 0.4400-0.0000 ( 8406 PWs) bands (ev): -17.9917 -17.9917 -17.9728 -17.9728 -17.9597 -17.9597 -17.9592 -17.9592 -8.5015 -8.5015 -8.5002 -8.5002 -8.2330 -8.2330 -8.0506 -8.0506 -7.8801 -7.8801 -7.6273 -7.6273 -7.3935 -7.3935 -7.3635 -7.3635 -7.1138 -7.1138 -7.0337 -7.0337 -6.8884 -6.8884 -6.1671 -6.1671 -4.8073 -4.8073 -4.7839 -4.7839 -4.3821 -4.3821 -3.8925 -3.8925 -3.7969 -3.7969 -3.7862 -3.7862 -3.7343 -3.7343 -3.7212 -3.7212 -3.6169 -3.6169 -3.6119 -3.6119 -3.4297 -3.4297 -2.5701 -2.5701 -2.2591 -2.2591 -2.2484 -2.2484 4.3950 4.3950 4.4009 4.4009 4.6204 4.6204 4.8798 4.8798 4.9795 4.9795 5.3580 5.3580 k = 0.0000 0.4600-0.0000 ( 8402 PWs) bands (ev): -17.9912 -17.9912 -17.9732 -17.9732 -17.9597 -17.9597 -17.9592 -17.9592 -8.5012 -8.5012 -8.4999 -8.4999 -8.2337 -8.2337 -8.0525 -8.0525 -7.8788 -7.8788 -7.6291 -7.6291 -7.3933 -7.3933 -7.3628 -7.3628 -7.1120 -7.1120 -7.0339 -7.0339 -6.8803 -6.8803 -6.1797 -6.1797 -4.8055 -4.8055 -4.7825 -4.7825 -4.3732 -4.3732 -3.8965 -3.8965 -3.7998 -3.7998 -3.7890 -3.7890 -3.7330 -3.7330 -3.7226 -3.7226 -3.6181 -3.6181 -3.6132 -3.6132 -3.4280 -3.4280 -2.5732 -2.5732 -2.2556 -2.2556 -2.2453 -2.2453 4.3984 4.3984 4.4033 4.4033 4.6326 4.6326 4.8964 4.8964 4.9615 4.9615 5.3610 5.3610 k = 0.0000 0.4800-0.0000 ( 8414 PWs) bands (ev): -17.9909 -17.9909 -17.9735 -17.9735 -17.9597 -17.9597 -17.9592 -17.9592 -8.5010 -8.5010 -8.4997 -8.4997 -8.2341 -8.2341 -8.0536 -8.0536 -7.8780 -7.8780 -7.6302 -7.6302 -7.3931 -7.3931 -7.3625 -7.3625 -7.1110 -7.1110 -7.0342 -7.0342 -6.8752 -6.8752 -6.1875 -6.1875 -4.8045 -4.8045 -4.7816 -4.7816 -4.3678 -4.3678 -3.8991 -3.8991 -3.8015 -3.8015 -3.7907 -3.7907 -3.7320 -3.7320 -3.7236 -3.7236 -3.6188 -3.6188 -3.6139 -3.6139 -3.4270 -3.4270 -2.5750 -2.5750 -2.2534 -2.2534 -2.2435 -2.2435 4.4006 4.4006 4.4047 4.4047 4.6404 4.6404 4.9123 4.9123 4.9446 4.9446 5.3629 5.3629 k = 0.0000 0.5000-0.0000 ( 8410 PWs) bands (ev): -17.9908 -17.9908 -17.9736 -17.9736 -17.9597 -17.9597 -17.9592 -17.9592 -8.5009 -8.5009 -8.4996 -8.4996 -8.2343 -8.2343 -8.0540 -8.0540 -7.8777 -7.8777 -7.6305 -7.6305 -7.3931 -7.3931 -7.3624 -7.3624 -7.1106 -7.1106 -7.0342 -7.0342 -6.8734 -6.8734 -6.1902 -6.1902 -4.8041 -4.8041 -4.7813 -4.7813 -4.3659 -4.3659 -3.9000 -3.9000 -3.8020 -3.8020 -3.7913 -3.7913 -3.7316 -3.7316 -3.7240 -3.7240 -3.6190 -3.6190 -3.6142 -3.6142 -3.4266 -3.4266 -2.5756 -2.5756 -2.2527 -2.2527 -2.2429 -2.2429 4.4013 4.4013 4.4051 4.4051 4.6431 4.6431 4.9260 4.9260 4.9304 4.9304 5.3635 5.3635 k = 0.0000 0.5000-0.0000 ( 8410 PWs) bands (ev): -17.9908 -17.9908 -17.9736 -17.9736 -17.9597 -17.9597 -17.9592 -17.9592 -8.5009 -8.5009 -8.4996 -8.4996 -8.2343 -8.2343 -8.0540 -8.0540 -7.8777 -7.8777 -7.6305 -7.6305 -7.3931 -7.3931 -7.3624 -7.3624 -7.1106 -7.1106 -7.0342 -7.0342 -6.8734 -6.8734 -6.1902 -6.1902 -4.8041 -4.8041 -4.7813 -4.7813 -4.3659 -4.3659 -3.9000 -3.9000 -3.8020 -3.8020 -3.7913 -3.7913 -3.7316 -3.7316 -3.7240 -3.7240 -3.6190 -3.6190 -3.6142 -3.6142 -3.4266 -3.4266 -2.5756 -2.5756 -2.2527 -2.2527 -2.2429 -2.2429 4.4013 4.4013 4.4051 4.4051 4.6431 4.6431 4.9260 4.9260 4.9304 4.9304 5.3635 5.3635 k = 0.0200 0.5000-0.0000 ( 8424 PWs) bands (ev): -17.9908 -17.9908 -17.9737 -17.9736 -17.9598 -17.9597 -17.9592 -17.9592 -8.5018 -8.5005 -8.5000 -8.4988 -8.2377 -8.2309 -8.0588 -8.0492 -7.8814 -7.8742 -7.6373 -7.6239 -7.3939 -7.3924 -7.3642 -7.3604 -7.1158 -7.1058 -7.0347 -7.0337 -6.8736 -6.8735 -6.1923 -6.1883 -4.8041 -4.8040 -4.7825 -4.7800 -4.3658 -4.3656 -3.9022 -3.8993 -3.8029 -3.8022 -3.7919 -3.7917 -3.7310 -3.7307 -3.7245 -3.7231 -3.6207 -3.6167 -3.6145 -3.6131 -3.4279 -3.4258 -2.5758 -2.5756 -2.2539 -2.2517 -2.2434 -2.2425 4.4005 4.4026 4.4048 4.4062 4.6436 4.6449 4.9263 4.9275 4.9308 4.9314 5.3611 5.3627 k = 0.0400 0.5000-0.0000 ( 8424 PWs) bands (ev): -17.9908 -17.9907 -17.9736 -17.9735 -17.9598 -17.9597 -17.9593 -17.9592 -8.5027 -8.5014 -8.4990 -8.4979 -8.2409 -8.2275 -8.0633 -8.0443 -7.8850 -7.8707 -7.6442 -7.6175 -7.3946 -7.3917 -7.3657 -7.3582 -7.1211 -7.1011 -7.0351 -7.0332 -6.8738 -6.8736 -6.1947 -6.1867 -4.8039 -4.8038 -4.7836 -4.7786 -4.3651 -4.3647 -3.9057 -3.9001 -3.8051 -3.8038 -3.7930 -3.7925 -3.7290 -3.7283 -3.7244 -3.7216 -3.6216 -3.6141 -3.6140 -3.6107 -3.4296 -3.4254 -2.5762 -2.5756 -2.2552 -2.2509 -2.2441 -2.2422 4.4001 4.4034 4.4054 4.4090 4.6465 4.6490 4.9285 4.9299 4.9335 4.9337 5.3556 5.3587 k = 0.0600 0.5000-0.0000 ( 8432 PWs) bands (ev): -17.9907 -17.9906 -17.9736 -17.9735 -17.9599 -17.9598 -17.9594 -17.9593 -8.5035 -8.5022 -8.4981 -8.4970 -8.2440 -8.2242 -8.0677 -8.0394 -7.8886 -7.8674 -7.6509 -7.6114 -7.3954 -7.3911 -7.3670 -7.3557 -7.1265 -7.0968 -7.0354 -7.0327 -6.8741 -6.8738 -6.1973 -6.1854 -4.8036 -4.8034 -4.7846 -4.7771 -4.3638 -4.3633 -3.9105 -3.9025 -3.8089 -3.8074 -3.7939 -3.7931 -3.7262 -3.7247 -3.7236 -3.7196 -3.6217 -3.6128 -3.6118 -3.6069 -3.4317 -3.4254 -2.5766 -2.5757 -2.2566 -2.2503 -2.2450 -2.2421 4.3996 4.4036 4.4075 4.4138 4.6516 4.6553 4.9320 4.9325 4.9379 4.9393 5.3468 5.3516 k = 0.0800 0.5000-0.0000 ( 8420 PWs) bands (ev): -17.9905 -17.9905 -17.9735 -17.9733 -17.9601 -17.9599 -17.9595 -17.9594 -8.5043 -8.5029 -8.4971 -8.4961 -8.2468 -8.2209 -8.0717 -8.0345 -7.8921 -7.8642 -7.6575 -7.6057 -7.3960 -7.3904 -7.3681 -7.3531 -7.1318 -7.0928 -7.0356 -7.0321 -6.8744 -6.8742 -6.2000 -6.1844 -4.8031 -4.8030 -4.7854 -4.7756 -4.3620 -4.3614 -3.9163 -3.9063 -3.8143 -3.8128 -3.7943 -3.7931 -3.7236 -3.7213 -3.7203 -3.7171 -3.6211 -3.6107 -3.6095 -3.6021 -3.4342 -3.4260 -2.5771 -2.5760 -2.2581 -2.2498 -2.2459 -2.2421 4.3989 4.4035 4.4114 4.4203 4.6587 4.6635 4.9357 4.9364 4.9445 4.9477 5.3352 5.3416 k = 0.1000 0.5000-0.0000 ( 8412 PWs) bands (ev): -17.9903 -17.9903 -17.9734 -17.9732 -17.9603 -17.9601 -17.9596 -17.9595 -8.5049 -8.5036 -8.4962 -8.4952 -8.2495 -8.2178 -8.0753 -8.0299 -7.8953 -7.8614 -7.6638 -7.6004 -7.3965 -7.3898 -7.3689 -7.3505 -7.1370 -7.0892 -7.0358 -7.0316 -6.8748 -6.8746 -6.2028 -6.1838 -4.8025 -4.8024 -4.7861 -4.7741 -4.3594 -4.3589 -3.9230 -3.9114 -3.8211 -3.8198 -3.7943 -3.7929 -3.7216 -3.7174 -3.7155 -3.7141 -3.6198 -3.6078 -3.6069 -3.5966 -3.4371 -3.4270 -2.5777 -2.5764 -2.2596 -2.2495 -2.2469 -2.2422 4.3981 4.4033 4.4169 4.4282 4.6676 4.6733 4.9400 4.9416 4.9537 4.9584 5.3209 5.3289 k = 0.1200 0.5000-0.0000 ( 8410 PWs) bands (ev): -17.9901 -17.9900 -17.9733 -17.9730 -17.9605 -17.9602 -17.9598 -17.9597 -8.5055 -8.5042 -8.4954 -8.4944 -8.2518 -8.2149 -8.0786 -8.0255 -7.8984 -7.8588 -7.6697 -7.5957 -7.3970 -7.3893 -7.3695 -7.3478 -7.1420 -7.0860 -7.0358 -7.0311 -6.8753 -6.8752 -6.2057 -6.1835 -4.8020 -4.8015 -4.7868 -4.7727 -4.3562 -4.3558 -3.9302 -3.9176 -3.8290 -3.8278 -3.7939 -3.7925 -3.7193 -3.7132 -3.7110 -3.7099 -3.6180 -3.6043 -3.6040 -3.5908 -3.4404 -3.4284 -2.5785 -2.5769 -2.2612 -2.2495 -2.2480 -2.2425 4.3974 4.4031 4.4241 4.4376 4.6779 4.6843 4.9454 4.9478 4.9653 4.9712 5.3042 5.3138 k = 0.1400 0.5000-0.0000 ( 8408 PWs) bands (ev): -17.9899 -17.9898 -17.9731 -17.9728 -17.9607 -17.9605 -17.9600 -17.9599 -8.5060 -8.5047 -8.4946 -8.4937 -8.2539 -8.2122 -8.0814 -8.0215 -7.9011 -7.8565 -7.6750 -7.5916 -7.3974 -7.3889 -7.3700 -7.3453 -7.1468 -7.0832 -7.0359 -7.0307 -6.8759 -6.8758 -6.2085 -6.1836 -4.8014 -4.8005 -4.7873 -4.7713 -4.3522 -4.3522 -3.9380 -3.9246 -3.8377 -3.8368 -3.7935 -3.7921 -3.7165 -3.7088 -3.7071 -3.7046 -3.6157 -3.6008 -3.6001 -3.5849 -3.4440 -3.4304 -2.5793 -2.5775 -2.2628 -2.2495 -2.2491 -2.2430 4.3970 4.4031 4.4327 4.4484 4.6893 4.6963 4.9523 4.9552 4.9791 4.9860 5.2852 5.2965 k = 0.1600 0.5000-0.0000 ( 8400 PWs) bands (ev): -17.9896 -17.9895 -17.9729 -17.9726 -17.9610 -17.9607 -17.9602 -17.9601 -8.5064 -8.5051 -8.4939 -8.4930 -8.2557 -8.2098 -8.0838 -8.0180 -7.9036 -7.8546 -7.6798 -7.5881 -7.3976 -7.3886 -7.3702 -7.3428 -7.1510 -7.0808 -7.0358 -7.0303 -6.8767 -6.8764 -6.2113 -6.1841 -4.8009 -4.7993 -4.7878 -4.7701 -4.3479 -4.3474 -3.9460 -3.9323 -3.8471 -3.8465 -3.7929 -3.7917 -3.7132 -3.7043 -3.7028 -3.6992 -3.6128 -3.5974 -3.5956 -3.5790 -3.4478 -3.4327 -2.5801 -2.5782 -2.2643 -2.2503 -2.2498 -2.2436 4.3969 4.4034 4.4428 4.4605 4.7014 4.7087 4.9607 4.9640 4.9950 5.0029 5.2643 5.2773 k = 0.1800 0.5000-0.0000 ( 8394 PWs) bands (ev): -17.9892 -17.9891 -17.9727 -17.9723 -17.9613 -17.9610 -17.9605 -17.9603 -8.5067 -8.5054 -8.4933 -8.4924 -8.2571 -8.2078 -8.0858 -8.0150 -7.9056 -7.8530 -7.6837 -7.5852 -7.3977 -7.3883 -7.3704 -7.3407 -7.1547 -7.0789 -7.0357 -7.0300 -6.8775 -6.8769 -6.2140 -6.1849 -4.8003 -4.7981 -4.7882 -4.7690 -4.3429 -4.3419 -3.9542 -3.9404 -3.8573 -3.8570 -3.7924 -3.7913 -3.7094 -3.6998 -3.6981 -3.6937 -3.6096 -3.5937 -3.5909 -3.5733 -3.4519 -3.4355 -2.5810 -2.5790 -2.2658 -2.2515 -2.2503 -2.2443 4.3973 4.4040 4.4543 4.4740 4.7138 4.7213 4.9708 4.9745 5.0129 5.0216 5.2417 5.2565 k = 0.2000 0.5000-0.0000 ( 8400 PWs) bands (ev): -17.9889 -17.9888 -17.9725 -17.9720 -17.9616 -17.9613 -17.9608 -17.9605 -8.5069 -8.5056 -8.4928 -8.4920 -8.2581 -8.2062 -8.0872 -8.0126 -7.9072 -7.8519 -7.6868 -7.5831 -7.3977 -7.3880 -7.3705 -7.3390 -7.1576 -7.0773 -7.0356 -7.0299 -6.8784 -6.8775 -6.2166 -6.1861 -4.7998 -4.7969 -4.7885 -4.7682 -4.3373 -4.3356 -3.9625 -3.9488 -3.8682 -3.8680 -3.7919 -3.7910 -3.7051 -3.6954 -3.6932 -3.6882 -3.6059 -3.5898 -3.5860 -3.5679 -3.4562 -3.4387 -2.5820 -2.5799 -2.2673 -2.2527 -2.2509 -2.2452 4.3981 4.4049 4.4672 4.4887 4.7260 4.7335 4.9828 4.9867 5.0328 5.0421 5.2177 5.2341 k = 0.2200 0.5000-0.0000 ( 8392 PWs) bands (ev): -17.9885 -17.9884 -17.9722 -17.9717 -17.9620 -17.9617 -17.9611 -17.9608 -8.5070 -8.5058 -8.4925 -8.4916 -8.2588 -8.2050 -8.0881 -8.0108 -7.9084 -7.8511 -7.6890 -7.5816 -7.3975 -7.3877 -7.3705 -7.3378 -7.1597 -7.0761 -7.0356 -7.0298 -6.8794 -6.8781 -6.2189 -6.1875 -4.7993 -4.7956 -4.7887 -4.7676 -4.3308 -4.3284 -3.9706 -3.9573 -3.8800 -3.8793 -3.7913 -3.7906 -3.7004 -3.6908 -3.6880 -3.6827 -3.6020 -3.5859 -3.5813 -3.5630 -3.4607 -3.4422 -2.5829 -2.5808 -2.2686 -2.2539 -2.2516 -2.2461 4.3994 4.4063 4.4814 4.5046 4.7377 4.7451 4.9970 5.0010 5.0544 5.0643 5.1925 5.2106 k = 0.2400 0.5000-0.0000 ( 8386 PWs) bands (ev): -17.9881 -17.9880 -17.9719 -17.9714 -17.9623 -17.9621 -17.9614 -17.9611 -8.5069 -8.5058 -8.4922 -8.4913 -8.2591 -8.2043 -8.0885 -8.0098 -7.9090 -7.8508 -7.6902 -7.5808 -7.3972 -7.3874 -7.3706 -7.3373 -7.1608 -7.0754 -7.0356 -7.0298 -6.8803 -6.8787 -6.2211 -6.1892 -4.7988 -4.7945 -4.7888 -4.7672 -4.3237 -4.3204 -3.9785 -3.9659 -3.8923 -3.8911 -3.7909 -3.7903 -3.6952 -3.6862 -3.6825 -3.6772 -3.5979 -3.5819 -3.5767 -3.5587 -3.4652 -3.4460 -2.5839 -2.5818 -2.2697 -2.2551 -2.2525 -2.2472 4.4011 4.4079 4.4969 4.5216 4.7487 4.7557 5.0132 5.0173 5.0777 5.0879 5.1664 5.1860 k = 0.2600 0.5000-0.0000 ( 8386 PWs) bands (ev): -17.9877 -17.9876 -17.9716 -17.9711 -17.9627 -17.9625 -17.9617 -17.9614 -8.5068 -8.5057 -8.4921 -8.4912 -8.2589 -8.2041 -8.0884 -8.0096 -7.9092 -7.8509 -7.6904 -7.5808 -7.3968 -7.3871 -7.3706 -7.3373 -7.1609 -7.0750 -7.0357 -7.0299 -6.8812 -6.8792 -6.2230 -6.1912 -4.7984 -4.7937 -4.7886 -4.7670 -4.3158 -4.3117 -3.9861 -3.9742 -3.9050 -3.9033 -3.7904 -3.7901 -3.6898 -3.6815 -3.6770 -3.6718 -3.5937 -3.5780 -3.5724 -3.5549 -3.4697 -3.4501 -2.5849 -2.5828 -2.2708 -2.2562 -2.2534 -2.2484 4.4032 4.4099 4.5137 4.5397 4.7585 4.7651 5.0317 5.0356 5.1024 5.1126 5.1395 5.1609 k = 0.2800 0.5000-0.0000 ( 8394 PWs) bands (ev): -17.9873 -17.9872 -17.9713 -17.9707 -17.9632 -17.9629 -17.9621 -17.9617 -8.5066 -8.5055 -8.4922 -8.4912 -8.2584 -8.2044 -8.0878 -8.0102 -7.9090 -7.8514 -7.6895 -7.5815 -7.3963 -7.3867 -7.3708 -7.3381 -7.1600 -7.0750 -7.0360 -7.0302 -6.8821 -6.8798 -6.2246 -6.1933 -4.7980 -4.7932 -4.7881 -4.7671 -4.3073 -4.3024 -3.9934 -3.9824 -3.9182 -3.9159 -3.7901 -3.7899 -3.6841 -3.6766 -3.6713 -3.6664 -3.5896 -3.5743 -3.5685 -3.5519 -3.4742 -3.4544 -2.5858 -2.5838 -2.2717 -2.2572 -2.2545 -2.2496 4.4056 4.4122 4.5316 4.5589 4.7672 4.7731 5.0521 5.0558 5.1110 5.1294 5.1299 5.1436 k = 0.3000 0.5000-0.0000 ( 8396 PWs) bands (ev): -17.9868 -17.9867 -17.9710 -17.9704 -17.9636 -17.9633 -17.9624 -17.9620 -8.5063 -8.5052 -8.4923 -8.4913 -8.2575 -8.2051 -8.0866 -8.0114 -7.9082 -7.8524 -7.6876 -7.5830 -7.3956 -7.3863 -7.3708 -7.3394 -7.1581 -7.0754 -7.0364 -7.0305 -6.8829 -6.8804 -6.2259 -6.1957 -4.7977 -4.7931 -4.7872 -4.7674 -4.2980 -4.2925 -4.0002 -3.9902 -3.9317 -3.9288 -3.7898 -3.7897 -3.6783 -3.6716 -3.6657 -3.6611 -3.5855 -3.5708 -3.5651 -3.5496 -3.4785 -3.4589 -2.5868 -2.5848 -2.2723 -2.2582 -2.2557 -2.2509 4.4083 4.4147 4.5507 4.5790 4.7746 4.7799 5.0742 5.0747 5.0866 5.1066 5.1561 5.1675 k = 0.3200 0.5000-0.0000 ( 8378 PWs) bands (ev): -17.9864 -17.9863 -17.9706 -17.9700 -17.9640 -17.9637 -17.9628 -17.9623 -8.5059 -8.5048 -8.4926 -8.4915 -8.2562 -8.2063 -8.0849 -8.0134 -7.9069 -7.8538 -7.6847 -7.5851 -7.3947 -7.3858 -7.3709 -7.3412 -7.1551 -7.0762 -7.0367 -7.0309 -6.8835 -6.8809 -6.2268 -6.1982 -4.7974 -4.7931 -4.7861 -4.7678 -4.2883 -4.2821 -4.0065 -3.9976 -3.9453 -3.9418 -3.7895 -3.7895 -3.6724 -3.6665 -3.6602 -3.6558 -3.5817 -3.5677 -3.5621 -3.5480 -3.4825 -3.4634 -2.5876 -2.5858 -2.2728 -2.2591 -2.2569 -2.2521 4.4113 4.4173 4.5708 4.6001 4.7809 4.7854 5.0532 5.0780 5.0998 5.1035 5.1841 5.1951 k = 0.3400 0.5000-0.0000 ( 8386 PWs) bands (ev): -17.9860 -17.9859 -17.9702 -17.9696 -17.9644 -17.9641 -17.9632 -17.9627 -8.5054 -8.5043 -8.4930 -8.4919 -8.2545 -8.2080 -8.0827 -8.0161 -7.9052 -7.8556 -7.6809 -7.5880 -7.3938 -7.3854 -7.3710 -7.3436 -7.1514 -7.0776 -7.0371 -7.0314 -6.8841 -6.8815 -6.2275 -6.2008 -4.7971 -4.7934 -4.7850 -4.7684 -4.2780 -4.2713 -4.0123 -4.0046 -3.9589 -3.9548 -3.7893 -3.7893 -3.6666 -3.6612 -3.6549 -3.6507 -3.5781 -3.5652 -3.5597 -3.5472 -3.4861 -3.4680 -2.5884 -2.5868 -2.2731 -2.2598 -2.2581 -2.2534 4.4144 4.4200 4.5920 4.6219 4.7860 4.7897 5.0245 5.0509 5.1246 5.1286 5.2126 5.2232 k = 0.3600 0.5000-0.0000 ( 8388 PWs) bands (ev): -17.9856 -17.9855 -17.9698 -17.9692 -17.9648 -17.9645 -17.9636 -17.9631 -8.5048 -8.5038 -8.4936 -8.4924 -8.2525 -8.2101 -8.0800 -8.0193 -7.9030 -7.8577 -7.6764 -7.5916 -7.3927 -7.3849 -7.3710 -7.3463 -7.1470 -7.0795 -7.0375 -7.0320 -6.8846 -6.8820 -6.2278 -6.2035 -4.7969 -4.7937 -4.7838 -4.7692 -4.2675 -4.2605 -4.0175 -4.0110 -3.9722 -3.9676 -3.7892 -3.7891 -3.6609 -3.6559 -3.6498 -3.6459 -3.5749 -3.5633 -3.5577 -3.5470 -3.4892 -3.4723 -2.5891 -2.5876 -2.2732 -2.2604 -2.2595 -2.2547 4.4175 4.4226 4.6141 4.6446 4.7901 4.7929 4.9954 5.0231 5.1508 5.1550 5.2413 5.2513 k = 0.3800 0.5000-0.0000 ( 8392 PWs) bands (ev): -17.9852 -17.9851 -17.9695 -17.9688 -17.9652 -17.9649 -17.9640 -17.9635 -8.5042 -8.5031 -8.4942 -8.4930 -8.2502 -8.2125 -8.0770 -8.0231 -7.9005 -7.8602 -7.6711 -7.5958 -7.3917 -7.3845 -7.3710 -7.3492 -7.1420 -7.0820 -7.0378 -7.0327 -6.8850 -6.8825 -6.2277 -6.2062 -4.7967 -4.7941 -4.7826 -4.7700 -4.2568 -4.2498 -4.0222 -4.0170 -3.9851 -3.9799 -3.7891 -3.7890 -3.6554 -3.6507 -3.6452 -3.6414 -3.5721 -3.5621 -3.5563 -3.5473 -3.4917 -3.4765 -2.5898 -2.5885 -2.2731 -2.2609 -2.2608 -2.2559 4.4205 4.4250 4.6372 4.6679 4.7934 4.7953 4.9662 4.9951 5.1777 5.1822 5.2697 5.2789 k = 0.4000 0.5000-0.0000 ( 8400 PWs) bands (ev): -17.9848 -17.9848 -17.9691 -17.9683 -17.9655 -17.9652 -17.9644 -17.9639 -8.5035 -8.5024 -8.4949 -8.4937 -8.2476 -8.2153 -8.0735 -8.0273 -7.8976 -7.8630 -7.6652 -7.6006 -7.3906 -7.3842 -7.3709 -7.3521 -7.1367 -7.0850 -7.0380 -7.0334 -6.8852 -6.8830 -6.2274 -6.2089 -4.7966 -4.7944 -4.7815 -4.7710 -4.2463 -4.2396 -4.0263 -4.0225 -3.9970 -3.9915 -3.7890 -3.7889 -3.6502 -3.6457 -3.6410 -3.6374 -3.5698 -3.5615 -3.5553 -3.5480 -3.4935 -3.4804 -2.5903 -2.5892 -2.2728 -2.2622 -2.2613 -2.2570 4.4233 4.4272 4.6610 4.6919 4.7960 4.7969 4.9371 4.9670 5.2048 5.2095 5.2972 5.3053 k = 0.4200 0.5000-0.0000 ( 8398 PWs) bands (ev): -17.9845 -17.9845 -17.9686 -17.9679 -17.9658 -17.9655 -17.9648 -17.9643 -8.5027 -8.5016 -8.4956 -8.4945 -8.2448 -8.2182 -8.0696 -8.0318 -7.8944 -7.8660 -7.6589 -7.6060 -7.3895 -7.3840 -7.3704 -7.3551 -7.1310 -7.0886 -7.0381 -7.0341 -6.8854 -6.8834 -6.2266 -6.2115 -4.7964 -4.7948 -4.7803 -4.7719 -4.2364 -4.2302 -4.0300 -4.0275 -4.0074 -4.0018 -3.7889 -3.7888 -3.6453 -3.6412 -3.6374 -3.6341 -3.5679 -3.5616 -3.5547 -3.5489 -3.4947 -3.4840 -2.5908 -2.5899 -2.2723 -2.2636 -2.2615 -2.2580 4.4259 4.4291 4.6857 4.7163 4.7978 4.7982 4.9082 4.9390 5.2316 5.2367 5.3229 5.3295 k = 0.4400 0.5000-0.0000 ( 8406 PWs) bands (ev): -17.9843 -17.9842 -17.9682 -17.9675 -17.9661 -17.9657 -17.9652 -17.9648 -8.5018 -8.5008 -8.4965 -8.4953 -8.2417 -8.2215 -8.0654 -8.0366 -7.8910 -7.8694 -7.6523 -7.6118 -7.3884 -7.3840 -7.3697 -7.3580 -7.1251 -7.0927 -7.0380 -7.0349 -6.8854 -6.8839 -6.2256 -6.2141 -4.7963 -4.7951 -4.7792 -4.7729 -4.2274 -4.2223 -4.0336 -4.0321 -4.0155 -4.0104 -3.7888 -3.7888 -3.6408 -3.6373 -3.6345 -3.6317 -3.5664 -3.5621 -3.5542 -3.5498 -3.4952 -3.4871 -2.5911 -2.5904 -2.2716 -2.2650 -2.2616 -2.2589 4.4281 4.4305 4.7110 4.7407 4.7982 4.8002 4.8798 4.9113 5.2576 5.2630 5.3455 5.3502 k = 0.4600 0.5000-0.0000 ( 8406 PWs) bands (ev): -17.9841 -17.9841 -17.9678 -17.9671 -17.9664 -17.9659 -17.9655 -17.9652 -8.5010 -8.4999 -8.4973 -8.4962 -8.2384 -8.2248 -8.0609 -8.0415 -7.8875 -7.8728 -7.6454 -7.6181 -7.3873 -7.3843 -7.3686 -7.3607 -7.1193 -7.0973 -7.0377 -7.0356 -6.8853 -6.8843 -6.2243 -6.2165 -4.7962 -4.7954 -4.7781 -4.7739 -4.2200 -4.2163 -4.0370 -4.0362 -4.0207 -4.0168 -3.7888 -3.7887 -3.6370 -3.6341 -3.6326 -3.6303 -3.5654 -3.5628 -3.5539 -3.5508 -3.4951 -3.4897 -2.5913 -2.5908 -2.2708 -2.2663 -2.2615 -2.2597 4.4298 4.4315 4.7368 4.7643 4.7980 4.8023 4.8525 4.8842 5.2820 5.2873 5.3627 5.3649 k = 0.4800 0.5000-0.0000 ( 8394 PWs) bands (ev): -17.9840 -17.9840 -17.9674 -17.9669 -17.9664 -17.9659 -17.9657 -17.9656 -8.5000 -8.4990 -8.4982 -8.4971 -8.2351 -8.2282 -8.0562 -8.0464 -7.8838 -7.8764 -7.6384 -7.6247 -7.3863 -7.3847 -7.3671 -7.3631 -7.1134 -7.1023 -7.0373 -7.0362 -6.8851 -6.8846 -6.2227 -6.2187 -4.7960 -4.7956 -4.7771 -4.7750 -4.2148 -4.2128 -4.0395 -4.0392 -4.0230 -4.0210 -3.7888 -3.7887 -3.6340 -3.6319 -3.6317 -3.6299 -3.5647 -3.5635 -3.5533 -3.5518 -3.4945 -3.4918 -2.5913 -2.5911 -2.2698 -2.2675 -2.2613 -2.2604 4.4311 4.4319 4.7628 4.7835 4.7970 4.8038 4.8308 4.8583 5.3026 5.3068 5.3689 5.3700 k = 0.5000 0.5000-0.0000 ( 8396 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4991 -8.4991 -8.4980 -8.4980 -8.2316 -8.2316 -8.0514 -8.0514 -7.8801 -7.8801 -7.6315 -7.6315 -7.3854 -7.3854 -7.3653 -7.3653 -7.1077 -7.1077 -7.0368 -7.0368 -6.8849 -6.8849 -6.2208 -6.2208 -4.7958 -4.7958 -4.7760 -4.7760 -4.2123 -4.2123 -4.0404 -4.0404 -4.0230 -4.0230 -3.7887 -3.7887 -3.6322 -3.6322 -3.6305 -3.6305 -3.5641 -3.5641 -3.5527 -3.5527 -3.4934 -3.4934 -2.5913 -2.5913 -2.2687 -2.2687 -2.2609 -2.2609 4.4318 4.4318 4.7869 4.7869 4.7950 4.7950 4.8359 4.8359 5.3137 5.3137 5.3675 5.3675 k = 0.5000 0.5000-0.0000 ( 8396 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4991 -8.4991 -8.4980 -8.4980 -8.2316 -8.2316 -8.0514 -8.0514 -7.8801 -7.8801 -7.6315 -7.6315 -7.3854 -7.3854 -7.3653 -7.3653 -7.1077 -7.1077 -7.0368 -7.0368 -6.8849 -6.8849 -6.2208 -6.2208 -4.7958 -4.7958 -4.7760 -4.7760 -4.2123 -4.2123 -4.0404 -4.0404 -4.0230 -4.0230 -3.7887 -3.7887 -3.6322 -3.6322 -3.6305 -3.6305 -3.5641 -3.5641 -3.5527 -3.5527 -3.4934 -3.4934 -2.5913 -2.5913 -2.2687 -2.2687 -2.2609 -2.2609 4.4318 4.4318 4.7869 4.7869 4.7950 4.7950 4.8359 4.8359 5.3137 5.3137 5.3675 5.3675 k = 0.4861 0.4861-0.0000 ( 8396 PWs) bands (ev): -17.9840 -17.9840 -17.9674 -17.9669 -17.9664 -17.9660 -17.9657 -17.9656 -8.5000 -8.4990 -8.4982 -8.4971 -8.2350 -8.2282 -8.0561 -8.0465 -7.8837 -7.8765 -7.6383 -7.6248 -7.3863 -7.3847 -7.3671 -7.3632 -7.1133 -7.1024 -7.0373 -7.0363 -6.8851 -6.8846 -6.2226 -6.2188 -4.7960 -4.7956 -4.7771 -4.7750 -4.2148 -4.2128 -4.0396 -4.0392 -4.0231 -4.0211 -3.7888 -3.7887 -3.6339 -3.6324 -3.6311 -3.6300 -3.5647 -3.5635 -3.5534 -3.5518 -3.4945 -3.4918 -2.5913 -2.5911 -2.2698 -2.2676 -2.2612 -2.2604 4.4311 4.4319 4.7630 4.7842 4.7970 4.8036 4.8307 4.8577 5.3029 5.3072 5.3676 5.3708 k = 0.4722 0.4722-0.0000 ( 8416 PWs) bands (ev): -17.9841 -17.9841 -17.9678 -17.9670 -17.9664 -17.9660 -17.9655 -17.9652 -8.5009 -8.4999 -8.4974 -8.4963 -8.2383 -8.2249 -8.0608 -8.0417 -7.8874 -7.8730 -7.6451 -7.6184 -7.3874 -7.3843 -7.3687 -7.3608 -7.1191 -7.0976 -7.0378 -7.0356 -6.8854 -6.8843 -6.2242 -6.2165 -4.7961 -4.7955 -4.7782 -4.7739 -4.2199 -4.2162 -4.0370 -4.0362 -4.0208 -4.0170 -3.7888 -3.7887 -3.6366 -3.6351 -3.6314 -3.6306 -3.5654 -3.5629 -3.5540 -3.5506 -3.4952 -3.4899 -2.5913 -2.5908 -2.2708 -2.2669 -2.2610 -2.2598 4.4298 4.4315 4.7366 4.7650 4.7990 4.8035 4.8512 4.8824 5.2827 5.2891 5.3605 5.3643 k = 0.4583 0.4583-0.0000 ( 8408 PWs) bands (ev): -17.9843 -17.9842 -17.9681 -17.9673 -17.9663 -17.9659 -17.9651 -17.9647 -8.5018 -8.5008 -8.4965 -8.4954 -8.2415 -8.2217 -8.0650 -8.0368 -7.8908 -7.8697 -7.6517 -7.6122 -7.3884 -7.3840 -7.3699 -7.3581 -7.1248 -7.0930 -7.0380 -7.0349 -6.8855 -6.8841 -6.2253 -6.2140 -4.7962 -4.7954 -4.7793 -4.7728 -4.2272 -4.2221 -4.0332 -4.0324 -4.0158 -4.0109 -3.7888 -3.7887 -3.6401 -3.6387 -3.6323 -3.6321 -3.5666 -3.5625 -3.5543 -3.5489 -3.4955 -3.4878 -2.5909 -2.5902 -2.2718 -2.2673 -2.2595 -2.2590 4.4280 4.4305 4.7100 4.7409 4.8012 4.8038 4.8768 4.9078 5.2592 5.2665 5.3438 5.3461 k = 0.4444 0.4444-0.0000 ( 8414 PWs) bands (ev): -17.9846 -17.9845 -17.9684 -17.9676 -17.9661 -17.9659 -17.9647 -17.9643 -8.5027 -8.5017 -8.4957 -8.4945 -8.2445 -8.2186 -8.0690 -8.0321 -7.8943 -7.8667 -7.6580 -7.6065 -7.3895 -7.3838 -7.3709 -7.3553 -7.1305 -7.0890 -7.0382 -7.0341 -6.8858 -6.8839 -6.2259 -6.2112 -4.7962 -4.7955 -4.7805 -4.7717 -4.2363 -4.2303 -4.0287 -4.0283 -4.0078 -4.0026 -3.7888 -3.7887 -3.6444 -3.6429 -3.6344 -3.6340 -3.5683 -3.5631 -3.5538 -3.5468 -3.4957 -3.4858 -2.5902 -2.5893 -2.2731 -2.2688 -2.2579 -2.2571 4.4257 4.4290 4.6835 4.7155 4.8034 4.8049 4.9028 4.9331 5.2344 5.2420 5.3213 5.3225 k = 0.4306 0.4306-0.0000 ( 8406 PWs) bands (ev): -17.9849 -17.9848 -17.9686 -17.9679 -17.9660 -17.9658 -17.9643 -17.9638 -8.5035 -8.5025 -8.4949 -8.4938 -8.2472 -8.2158 -8.0724 -8.0275 -7.8975 -7.8641 -7.6637 -7.6012 -7.3905 -7.3837 -7.3718 -7.3524 -7.1360 -7.0854 -7.0383 -7.0334 -6.8862 -6.8841 -6.2257 -6.2078 -4.7962 -4.7958 -4.7818 -4.7706 -4.2467 -4.2401 -4.0239 -4.0236 -3.9972 -3.9926 -3.7888 -3.7887 -3.6492 -3.6475 -3.6371 -3.6363 -3.5706 -3.5648 -3.5522 -3.5442 -3.4961 -3.4842 -2.5889 -2.5879 -2.2748 -2.2709 -2.2565 -2.2543 4.4228 4.4270 4.6574 4.6898 4.8056 4.8063 4.9285 4.9580 5.2091 5.2166 5.2956 5.2961 k = 0.4167 0.4167-0.0000 ( 8400 PWs) bands (ev): -17.9853 -17.9852 -17.9688 -17.9680 -17.9658 -17.9656 -17.9639 -17.9634 -8.5043 -8.5033 -8.4942 -8.4930 -8.2496 -8.2134 -8.0751 -8.0231 -7.9006 -7.8621 -7.6687 -7.5964 -7.3915 -7.3838 -7.3726 -7.3497 -7.1414 -7.0824 -7.0384 -7.0327 -6.8871 -6.8846 -6.2245 -6.2038 -4.7965 -4.7964 -4.7832 -4.7695 -4.2582 -4.2514 -4.0191 -4.0179 -3.9847 -3.9811 -3.7887 -3.7885 -3.6542 -3.6520 -3.6402 -3.6389 -3.5734 -3.5676 -3.5499 -3.5415 -3.4967 -3.4833 -2.5870 -2.5858 -2.2771 -2.2735 -2.2549 -2.2513 4.4194 4.4244 4.6316 4.6643 4.8074 4.8075 4.9532 4.9819 5.1839 5.1910 5.2684 5.2685 k = 0.4028 0.4028-0.0000 ( 8396 PWs) bands (ev): -17.9858 -17.9857 -17.9689 -17.9681 -17.9656 -17.9655 -17.9634 -17.9629 -8.5051 -8.5041 -8.4935 -8.4924 -8.2517 -8.2113 -8.0771 -8.0188 -7.9035 -7.8608 -7.6727 -7.5920 -7.3925 -7.3840 -7.3733 -7.3471 -7.1464 -7.0798 -7.0383 -7.0321 -6.8885 -6.8856 -6.2220 -6.1989 -4.7974 -4.7968 -4.7847 -4.7684 -4.2704 -4.2637 -4.0136 -4.0116 -3.9709 -3.9685 -3.7885 -3.7883 -3.6592 -3.6565 -3.6435 -3.6419 -3.5769 -3.5711 -3.5472 -3.5386 -3.4979 -3.4831 -2.5843 -2.5829 -2.2800 -2.2767 -2.2534 -2.2486 4.4154 4.4212 4.6064 4.6391 4.8077 4.8081 4.9762 5.0042 5.1597 5.1659 5.2411 5.2411 k = 0.3889 0.3889-0.0000 ( 8406 PWs) bands (ev): -17.9864 -17.9863 -17.9689 -17.9682 -17.9655 -17.9653 -17.9630 -17.9625 -8.5059 -8.5049 -8.4930 -8.4919 -8.2534 -8.2096 -8.0783 -8.0148 -7.9063 -7.8603 -7.6757 -7.5880 -7.3934 -7.3843 -7.3740 -7.3448 -7.1511 -7.0778 -7.0382 -7.0316 -6.8908 -6.8873 -6.2179 -6.1929 -4.7988 -4.7974 -4.7864 -4.7677 -4.2832 -4.2769 -4.0074 -4.0046 -3.9561 -3.9550 -3.7882 -3.7879 -3.6640 -3.6606 -3.6469 -3.6451 -3.5810 -3.5754 -3.5442 -3.5357 -3.4996 -3.4839 -2.5807 -2.5791 -2.2834 -2.2803 -2.2520 -2.2462 4.4109 4.4175 4.5819 4.6143 4.8064 4.8072 4.9959 5.0232 5.1378 5.1428 5.2149 5.2150 k = 0.3750 0.3750-0.0000 ( 8396 PWs) bands (ev): -17.9870 -17.9870 -17.9688 -17.9681 -17.9652 -17.9651 -17.9627 -17.9622 -8.5066 -8.5056 -8.4925 -8.4915 -8.2547 -8.2084 -8.0785 -8.0109 -7.9089 -7.8607 -7.6774 -7.5845 -7.3942 -7.3846 -7.3746 -7.3430 -7.1555 -7.0763 -7.0379 -7.0312 -6.8941 -6.8898 -6.2120 -6.1855 -4.8005 -4.7985 -4.7880 -4.7672 -4.2966 -4.2909 -4.0004 -3.9970 -3.9409 -3.9405 -3.7876 -3.7872 -3.6685 -3.6642 -3.6504 -3.6484 -3.5855 -3.5801 -3.5413 -3.5331 -3.5017 -3.4856 -2.5762 -2.5743 -2.2873 -2.2844 -2.2511 -2.2445 4.4058 4.4132 4.5581 4.5901 4.8028 4.8039 5.0091 5.0352 5.1215 5.1255 5.1911 5.1912 k = 0.3611 0.3611-0.0000 ( 8412 PWs) bands (ev): -17.9878 -17.9877 -17.9687 -17.9680 -17.9650 -17.9649 -17.9623 -17.9618 -8.5073 -8.5064 -8.4923 -8.4913 -8.2556 -8.2077 -8.0777 -8.0072 -7.9114 -7.8621 -7.6778 -7.5813 -7.3950 -7.3851 -7.3754 -7.3417 -7.1595 -7.0753 -7.0377 -7.0310 -6.8986 -6.8933 -6.2040 -6.1767 -4.8025 -4.7999 -4.7899 -4.7671 -4.3106 -4.3057 -3.9926 -3.9887 -3.9263 -3.9243 -3.7868 -3.7863 -3.6725 -3.6672 -3.6538 -3.6518 -3.5906 -3.5854 -3.5384 -3.5309 -3.5041 -3.4880 -2.5708 -2.5686 -2.2917 -2.2889 -2.2509 -2.2435 4.4003 4.4083 4.5352 4.5665 4.7959 4.7973 5.0109 5.0336 5.1155 5.1203 5.1704 5.1712 k = 0.3472 0.3472-0.0000 ( 8418 PWs) bands (ev): -17.9885 -17.9885 -17.9685 -17.9679 -17.9648 -17.9647 -17.9620 -17.9615 -8.5079 -8.5071 -8.4922 -8.4912 -8.2560 -8.2073 -8.0760 -8.0037 -7.9137 -7.8644 -7.6770 -7.5785 -7.3958 -7.3856 -7.3761 -7.3410 -7.1633 -7.0748 -7.0373 -7.0310 -6.9043 -6.8977 -6.1938 -6.1661 -4.8048 -4.8018 -4.7919 -4.7675 -4.3251 -4.3211 -3.9841 -3.9798 -3.9114 -3.9079 -3.7856 -3.7850 -3.6759 -3.6695 -3.6572 -3.6551 -3.5961 -3.5910 -3.5357 -3.5295 -3.5062 -3.4911 -2.5645 -2.5620 -2.2965 -2.2938 -2.2514 -2.2434 4.3943 4.4029 4.5133 4.5438 4.7852 4.7868 4.9995 5.0177 5.1215 5.1268 5.1539 5.1566 k = 0.3333 0.3333-0.0000 ( 8420 PWs) bands (ev): -17.9893 -17.9893 -17.9683 -17.9676 -17.9646 -17.9644 -17.9616 -17.9612 -8.5086 -8.5078 -8.4922 -8.4913 -8.2559 -8.2073 -8.0734 -8.0003 -7.9159 -7.8675 -7.6749 -7.5759 -7.3965 -7.3862 -7.3769 -7.3409 -7.1669 -7.0749 -7.0369 -7.0310 -6.9115 -6.9031 -6.1812 -6.1536 -4.8075 -4.8042 -4.7941 -4.7685 -4.3402 -4.3373 -3.9748 -3.9702 -3.8963 -3.8913 -3.7842 -3.7833 -3.6786 -3.6712 -3.6605 -3.6585 -3.6019 -3.5969 -3.5335 -3.5294 -3.5076 -3.4944 -2.5574 -2.5546 -2.3019 -2.2992 -2.2527 -2.2443 4.3879 4.3970 4.4924 4.5219 4.7704 4.7719 4.9795 4.9942 5.1336 5.1346 5.1421 5.1526 k = 0.3194 0.3194-0.0000 ( 8406 PWs) bands (ev): -17.9902 -17.9901 -17.9679 -17.9673 -17.9643 -17.9642 -17.9614 -17.9609 -8.5092 -8.5084 -8.4924 -8.4916 -8.2552 -8.2075 -8.0698 -7.9970 -7.9179 -7.8713 -7.6716 -7.5736 -7.3971 -7.3868 -7.3777 -7.3413 -7.1703 -7.0756 -7.0364 -7.0311 -6.9199 -6.9095 -6.1662 -6.1391 -4.8105 -4.8070 -4.7964 -4.7700 -4.3561 -4.3543 -3.9648 -3.9601 -3.8812 -3.8748 -3.7823 -3.7812 -3.6804 -3.6720 -3.6636 -3.6617 -3.6080 -3.6030 -3.5319 -3.5308 -3.5078 -3.4975 -2.5496 -2.5465 -2.3076 -2.3050 -2.2551 -2.2463 4.3811 4.3905 4.4727 4.5009 4.7513 4.7529 4.9552 4.9674 5.1318 5.1349 5.1506 5.1635 k = 0.3056 0.3056-0.0000 ( 8408 PWs) bands (ev): -17.9911 -17.9911 -17.9676 -17.9670 -17.9640 -17.9639 -17.9611 -17.9607 -8.5098 -8.5090 -8.4928 -8.4920 -8.2541 -8.2079 -8.0654 -7.9939 -7.9198 -7.8756 -7.6673 -7.5714 -7.3978 -7.3875 -7.3785 -7.3424 -7.1738 -7.0772 -7.0358 -7.0313 -6.9294 -6.9168 -6.1487 -6.1225 -4.8137 -4.8101 -4.7991 -4.7721 -4.3729 -4.3723 -3.9543 -3.9494 -3.8662 -3.8587 -3.7800 -3.7785 -3.6812 -3.6720 -3.6666 -3.6647 -3.6143 -3.6094 -3.5335 -3.5312 -3.5070 -3.5000 -2.5414 -2.5379 -2.3138 -2.3111 -2.2585 -2.2495 4.3741 4.3836 4.4542 4.4810 4.7286 4.7301 4.9287 4.9390 5.1305 5.1320 5.1667 5.1780 k = 0.2917 0.2917-0.0000 ( 8410 PWs) bands (ev): -17.9920 -17.9920 -17.9672 -17.9666 -17.9637 -17.9636 -17.9609 -17.9605 -8.5103 -8.5096 -8.4933 -8.4927 -8.2525 -8.2083 -8.0603 -7.9909 -7.9216 -7.8803 -7.6621 -7.5695 -7.3984 -7.3881 -7.3794 -7.3439 -7.1775 -7.0799 -7.0352 -7.0314 -6.9398 -6.9249 -6.1287 -6.1039 -4.8173 -4.8137 -4.8021 -4.7748 -4.3912 -4.3907 -3.9431 -3.9382 -3.8516 -3.8432 -3.7773 -3.7753 -3.6809 -3.6715 -3.6693 -3.6673 -3.6208 -3.6158 -3.5368 -3.5316 -3.5055 -3.5015 -2.5328 -2.5290 -2.3203 -2.3176 -2.2630 -2.2540 4.3668 4.3761 4.4370 4.4621 4.7029 4.7043 4.9010 4.9099 5.1320 5.1328 5.1820 5.1921 k = 0.2778 0.2778-0.0000 ( 8408 PWs) bands (ev): -17.9929 -17.9929 -17.9668 -17.9662 -17.9635 -17.9634 -17.9607 -17.9603 -8.5108 -8.5102 -8.4940 -8.4935 -8.2504 -8.2087 -8.0546 -7.9881 -7.9232 -7.8853 -7.6561 -7.5675 -7.3990 -7.3889 -7.3804 -7.3460 -7.1816 -7.0838 -7.0346 -7.0316 -6.9508 -6.9336 -6.1065 -6.0832 -4.8210 -4.8175 -4.8053 -4.7780 -4.4112 -4.4095 -3.9314 -3.9265 -3.8376 -3.8287 -3.7742 -3.7716 -3.6797 -3.6721 -3.6713 -3.6675 -3.6274 -3.6221 -3.5402 -3.5330 -3.5037 -3.5019 -2.5241 -2.5199 -2.3272 -2.3243 -2.2686 -2.2596 4.3594 4.3683 4.4211 4.4442 4.6751 4.6763 4.8727 4.8804 5.1361 5.1363 5.1960 5.2049 k = 0.2639 0.2639-0.0000 ( 8400 PWs) bands (ev): -17.9939 -17.9939 -17.9663 -17.9658 -17.9632 -17.9631 -17.9605 -17.9601 -8.5113 -8.5106 -8.4949 -8.4945 -8.2477 -8.2089 -8.0483 -7.9852 -7.9248 -7.8905 -7.6494 -7.5657 -7.3996 -7.3896 -7.3814 -7.3484 -7.1863 -7.0895 -7.0339 -7.0317 -6.9617 -6.9428 -6.0821 -6.0605 -4.8250 -4.8216 -4.8086 -4.7816 -4.4324 -4.4296 -3.9192 -3.9145 -3.8245 -3.8157 -3.7705 -3.7673 -3.6786 -3.6744 -3.6713 -3.6650 -3.6339 -3.6281 -3.5433 -3.5349 -3.5018 -3.5013 -2.5153 -2.5108 -2.3343 -2.3314 -2.2753 -2.2663 4.3519 4.3602 4.4066 4.4275 4.6458 4.6469 4.8440 4.8507 5.1420 5.1422 5.2083 5.2162 k = 0.2500 0.2500-0.0000 ( 8378 PWs) bands (ev): -17.9948 -17.9948 -17.9658 -17.9653 -17.9629 -17.9628 -17.9603 -17.9599 -8.5117 -8.5111 -8.4959 -8.4956 -8.2447 -8.2090 -8.0415 -7.9825 -7.9262 -7.8956 -7.6421 -7.5638 -7.4002 -7.3904 -7.3824 -7.3512 -7.1917 -7.0971 -7.0331 -7.0316 -6.9721 -6.9521 -6.0557 -6.0359 -4.8291 -4.8260 -4.8120 -4.7857 -4.4548 -4.4510 -3.9067 -3.9021 -3.8125 -3.8042 -3.7665 -3.7628 -3.6795 -3.6769 -3.6673 -3.6617 -3.6402 -3.6331 -3.5458 -3.5369 -3.5002 -3.4999 -2.5067 -2.5019 -2.3417 -2.3386 -2.2830 -2.2742 4.3445 4.3518 4.3934 4.4118 4.6157 4.6167 4.8153 4.8210 5.1490 5.1496 5.2188 5.2257 k = 0.2361 0.2361-0.0000 ( 8400 PWs) bands (ev): -17.9958 -17.9957 -17.9653 -17.9649 -17.9626 -17.9625 -17.9601 -17.9598 -8.5122 -8.5116 -8.4972 -8.4969 -8.2414 -8.2090 -8.0343 -7.9798 -7.9277 -7.9008 -7.6344 -7.5619 -7.4009 -7.3913 -7.3835 -7.3543 -7.1982 -7.1072 -7.0324 -7.0316 -6.9816 -6.9614 -6.0276 -6.0097 -4.8334 -4.8307 -4.8156 -4.7901 -4.4784 -4.4737 -3.8939 -3.8896 -3.8018 -3.7946 -3.7620 -3.7580 -3.6814 -3.6794 -3.6611 -3.6591 -3.6454 -3.6358 -3.5477 -3.5385 -3.4988 -3.4982 -2.4985 -2.4934 -2.3493 -2.3461 -2.2916 -2.2830 4.3372 4.3433 4.3813 4.3972 4.5854 4.5863 4.7866 4.7915 5.1568 5.1577 5.2275 5.2336 k = 0.2222 0.2222-0.0000 ( 8396 PWs) bands (ev): -17.9967 -17.9967 -17.9648 -17.9644 -17.9623 -17.9622 -17.9600 -17.9597 -8.5126 -8.5121 -8.4985 -8.4983 -8.2377 -8.2088 -8.0268 -7.9771 -7.9290 -7.9058 -7.6262 -7.5599 -7.4014 -7.3921 -7.3846 -7.3575 -7.2058 -7.1197 -7.0316 -7.0313 -6.9898 -6.9703 -5.9979 -5.9819 -4.8377 -4.8355 -4.8192 -4.7948 -4.5033 -4.4976 -3.8810 -3.8769 -3.7927 -3.7866 -3.7572 -3.7533 -3.6833 -3.6817 -3.6596 -3.6583 -3.6446 -3.6337 -3.5487 -3.5396 -3.4972 -3.4966 -2.4907 -2.4854 -2.3570 -2.3537 -2.3011 -2.2928 4.3302 4.3350 4.3703 4.3837 4.5554 4.5561 4.7583 4.7625 5.1652 5.1662 5.2345 5.2398 k = 0.2083 0.2083-0.0000 ( 8384 PWs) bands (ev): -17.9976 -17.9976 -17.9643 -17.9639 -17.9620 -17.9619 -17.9599 -17.9596 -8.5130 -8.5125 -8.4999 -8.4998 -8.2338 -8.2083 -8.0191 -7.9745 -7.9303 -7.9105 -7.6176 -7.5577 -7.4020 -7.3928 -7.3857 -7.3608 -7.2147 -7.1346 -7.0309 -7.0307 -6.9966 -6.9787 -5.9669 -5.9528 -4.8421 -4.8404 -4.8227 -4.7996 -4.5292 -4.5228 -3.8679 -3.8642 -3.7850 -3.7802 -3.7520 -3.7486 -3.6853 -3.6838 -3.6632 -3.6624 -3.6348 -3.6269 -3.5489 -3.5398 -3.4957 -3.4952 -2.4834 -2.4779 -2.3649 -2.3614 -2.3112 -2.3033 4.3234 4.3270 4.3603 4.3712 4.5260 4.5266 4.7306 4.7341 5.1735 5.1747 5.2398 5.2444 k = 0.1944 0.1944-0.0000 ( 8392 PWs) bands (ev): -17.9985 -17.9984 -17.9638 -17.9634 -17.9617 -17.9616 -17.9598 -17.9595 -8.5134 -8.5129 -8.5014 -8.5014 -8.2297 -8.2077 -8.0113 -7.9719 -7.9315 -7.9149 -7.6087 -7.5553 -7.4025 -7.3936 -7.3869 -7.3643 -7.2248 -7.1516 -7.0305 -7.0299 -7.0021 -6.9863 -5.9348 -5.9225 -4.8466 -4.8453 -4.8263 -4.8045 -4.5562 -4.5492 -3.8550 -3.8516 -3.7788 -3.7749 -3.7466 -3.7440 -3.6872 -3.6859 -3.6680 -3.6679 -3.6221 -3.6174 -3.5482 -3.5392 -3.4943 -3.4940 -2.4768 -2.4712 -2.3727 -2.3691 -2.3219 -2.3144 4.3170 4.3195 4.3511 4.3597 4.4975 4.4980 4.7035 4.7064 5.1818 5.1830 5.2437 5.2477 k = 0.1806 0.1806-0.0000 ( 8396 PWs) bands (ev): -17.9993 -17.9993 -17.9634 -17.9630 -17.9615 -17.9613 -17.9597 -17.9595 -8.5137 -8.5133 -8.5029 -8.5029 -8.2255 -8.2068 -8.0034 -7.9693 -7.9326 -7.9191 -7.5995 -7.5525 -7.4031 -7.3944 -7.3880 -7.3678 -7.2361 -7.1704 -7.0299 -7.0291 -7.0064 -6.9931 -5.9019 -5.8913 -4.8510 -4.8502 -4.8298 -4.8094 -4.5841 -4.5766 -3.8422 -3.8392 -3.7738 -3.7707 -3.7412 -3.7394 -3.6890 -3.6878 -3.6732 -3.6731 -3.6082 -3.6064 -3.5467 -3.5378 -3.4930 -3.4930 -2.4710 -2.4653 -2.3804 -2.3767 -2.3330 -2.3260 4.3111 4.3125 4.3426 4.3491 4.4702 4.4706 4.6774 4.6797 5.1897 5.1910 5.2463 5.2498 k = 0.1667 0.1667-0.0000 ( 8380 PWs) bands (ev): -18.0001 -18.0001 -17.9629 -17.9626 -17.9612 -17.9611 -17.9596 -17.9594 -8.5140 -8.5136 -8.5045 -8.5044 -8.2213 -8.2058 -7.9955 -7.9666 -7.9336 -7.9228 -7.5900 -7.5494 -7.4035 -7.3951 -7.3891 -7.3712 -7.2487 -7.1903 -7.0292 -7.0282 -7.0098 -6.9990 -5.8685 -5.8595 -4.8554 -4.8549 -4.8332 -4.8143 -4.6127 -4.6047 -3.8297 -3.8270 -3.7697 -3.7674 -3.7358 -3.7348 -3.6907 -3.6897 -3.6782 -3.6779 -3.5946 -3.5939 -3.5444 -3.5355 -3.4922 -3.4918 -2.4659 -2.4602 -2.3879 -2.3840 -2.3442 -2.3378 4.3056 4.3062 4.3347 4.3395 4.4443 4.4446 4.6523 4.6542 5.1972 5.1985 5.2478 5.2508 k = 0.1528 0.1528-0.0000 ( 8390 PWs) bands (ev): -18.0008 -18.0008 -17.9625 -17.9622 -17.9609 -17.9608 -17.9596 -17.9594 -8.5143 -8.5140 -8.5061 -8.5060 -8.2172 -8.2047 -7.9879 -7.9639 -7.9346 -7.9263 -7.5802 -7.5459 -7.4039 -7.3958 -7.3903 -7.3746 -7.2623 -7.2112 -7.0285 -7.0274 -7.0126 -7.0041 -5.8348 -5.8274 -4.8596 -4.8595 -4.8365 -4.8192 -4.6416 -4.6334 -3.8177 -3.8154 -3.7665 -3.7647 -3.7306 -3.7301 -3.6925 -3.6915 -3.6827 -3.6824 -3.5824 -3.5797 -3.5414 -3.5326 -3.4916 -3.4908 -2.4617 -2.4561 -2.3952 -2.3912 -2.3554 -2.3496 4.3005 4.3005 4.3274 4.3307 4.4200 4.4202 4.6285 4.6300 5.2041 5.2054 5.2484 5.2511 k = 0.1389 0.1389-0.0000 ( 8400 PWs) bands (ev): -18.0015 -18.0015 -17.9621 -17.9618 -17.9607 -17.9606 -17.9595 -17.9593 -8.5146 -8.5143 -8.5076 -8.5075 -8.2133 -8.2034 -7.9805 -7.9613 -7.9356 -7.9293 -7.5702 -7.5418 -7.4043 -7.3965 -7.3914 -7.3779 -7.2767 -7.2327 -7.0277 -7.0266 -7.0148 -7.0083 -5.8013 -5.7953 -4.8639 -4.8637 -4.8398 -4.8240 -4.6706 -4.6623 -3.8063 -3.8045 -3.7639 -3.7627 -3.7256 -3.7254 -3.6944 -3.6934 -3.6864 -3.6861 -3.5703 -3.5659 -3.5378 -3.5291 -3.4910 -3.4899 -2.4583 -2.4529 -2.4020 -2.3980 -2.3664 -2.3613 4.2955 4.2960 4.3207 4.3229 4.3974 4.3975 4.6061 4.6073 5.2104 5.2117 5.2484 5.2506 k = 0.1250 0.1250-0.0000 ( 8388 PWs) bands (ev): -18.0022 -18.0022 -17.9617 -17.9615 -17.9604 -17.9603 -17.9594 -17.9593 -8.5149 -8.5146 -8.5091 -8.5090 -8.2096 -8.2020 -7.9734 -7.9585 -7.9365 -7.9320 -7.5598 -7.5371 -7.4045 -7.3971 -7.3924 -7.3810 -7.2917 -7.2543 -7.0270 -7.0258 -7.0165 -7.0118 -5.7682 -5.7634 -4.8679 -4.8675 -4.8430 -4.8288 -4.6993 -4.6909 -3.7958 -3.7943 -3.7618 -3.7610 -3.7209 -3.7209 -3.6964 -3.6954 -3.6892 -3.6890 -3.5586 -3.5530 -3.5336 -3.5252 -3.4905 -3.4891 -2.4559 -2.4509 -2.4082 -2.4043 -2.3769 -2.3725 4.2911 4.2918 4.3147 4.3159 4.3767 4.3767 4.5854 4.5863 5.2161 5.2174 5.2478 5.2498 k = 0.1111 0.1111-0.0000 ( 8394 PWs) bands (ev): -18.0028 -18.0028 -17.9614 -17.9612 -17.9602 -17.9601 -17.9594 -17.9593 -8.5151 -8.5148 -8.5104 -8.5103 -8.2062 -8.2007 -7.9669 -7.9558 -7.9373 -7.9342 -7.5493 -7.5317 -7.4047 -7.3976 -7.3934 -7.3839 -7.3072 -7.2759 -7.0262 -7.0252 -7.0180 -7.0146 -5.7360 -5.7324 -4.8717 -4.8711 -4.8462 -4.8336 -4.7271 -4.7189 -3.7863 -3.7851 -3.7601 -3.7597 -3.7166 -3.7166 -3.6983 -3.6973 -3.6912 -3.6911 -3.5476 -3.5413 -3.5292 -3.5211 -3.4900 -3.4883 -2.4545 -2.4500 -2.4136 -2.4099 -2.3868 -2.3831 4.2872 4.2881 4.3092 4.3098 4.3579 4.3580 4.5664 4.5670 5.2212 5.2224 5.2469 5.2485 k = 0.0972 0.0972-0.0000 ( 8388 PWs) bands (ev): -18.0033 -18.0033 -17.9611 -17.9610 -17.9600 -17.9599 -17.9593 -17.9592 -8.5153 -8.5151 -8.5117 -8.5116 -8.2031 -8.1993 -7.9609 -7.9531 -7.9381 -7.9361 -7.5385 -7.5254 -7.4048 -7.3981 -7.3943 -7.3867 -7.3228 -7.2972 -7.0255 -7.0245 -7.0191 -7.0168 -5.7051 -5.7025 -4.8750 -4.8744 -4.8496 -4.8386 -4.7533 -4.7456 -3.7780 -3.7771 -3.7587 -3.7586 -3.7127 -3.7127 -3.6997 -3.6987 -3.6926 -3.6925 -3.5376 -3.5311 -3.5244 -3.5171 -3.4893 -3.4875 -2.4540 -2.4503 -2.4179 -2.4147 -2.3958 -2.3928 4.2838 4.2846 4.3044 4.3046 4.3413 4.3413 4.5493 4.5497 5.2257 5.2267 5.2457 5.2471 k = 0.0833 0.0833-0.0000 ( 8383 PWs) bands (ev): -18.0038 -18.0038 -17.9608 -17.9608 -17.9598 -17.9597 -17.9593 -17.9592 -8.5154 -8.5153 -8.5127 -8.5126 -8.2003 -8.1979 -7.9556 -7.9505 -7.9388 -7.9376 -7.5276 -7.5184 -7.4047 -7.3985 -7.3952 -7.3893 -7.3384 -7.3179 -7.0248 -7.0240 -7.0201 -7.0186 -5.6762 -5.6745 -4.8780 -4.8773 -4.8533 -4.8442 -4.7770 -4.7701 -3.7710 -3.7704 -3.7577 -3.7577 -3.7094 -3.7093 -3.7004 -3.6994 -3.6936 -3.6935 -3.5287 -3.5230 -3.5193 -3.5134 -3.4884 -3.4866 -2.4544 -2.4517 -2.4211 -2.4185 -2.4039 -2.4015 4.2807 4.2814 4.3002 4.3002 4.3269 4.3269 4.5342 4.5345 5.2295 5.2305 5.2445 5.2457 k = 0.0694 0.0694-0.0000 ( 8375 PWs) bands (ev): -18.0042 -18.0042 -17.9607 -17.9606 -17.9596 -17.9595 -17.9592 -17.9592 -8.5156 -8.5154 -8.5136 -8.5136 -8.1980 -8.1966 -7.9511 -7.9481 -7.9394 -7.9388 -7.5165 -7.5106 -7.4046 -7.3988 -7.3959 -7.3917 -7.3537 -7.3377 -7.0242 -7.0235 -7.0209 -7.0200 -5.6499 -5.6488 -4.8805 -4.8799 -4.8580 -4.8510 -4.7969 -4.7914 -3.7655 -3.7651 -3.7570 -3.7569 -3.7068 -3.7067 -3.7001 -3.6993 -3.6943 -3.6942 -3.5211 -3.5173 -3.5141 -3.5102 -3.4869 -3.4853 -2.4557 -2.4540 -2.4232 -2.4215 -2.4108 -2.4090 4.2778 4.2783 4.2967 4.2968 4.3148 4.3149 4.5213 4.5214 5.2328 5.2336 5.2433 5.2443 k = 0.0556 0.0556-0.0000 ( 8367 PWs) bands (ev): -18.0045 -18.0045 -17.9605 -17.9605 -17.9594 -17.9594 -17.9592 -17.9592 -8.5157 -8.5155 -8.5143 -8.5143 -8.1962 -8.1954 -7.9474 -7.9459 -7.9400 -7.9398 -7.5055 -7.5022 -7.4043 -7.3990 -7.3966 -7.3938 -7.3682 -7.3563 -7.0237 -7.0231 -7.0215 -7.0210 -5.6268 -5.6262 -4.8826 -4.8820 -4.8639 -4.8595 -4.8118 -4.8082 -3.7614 -3.7611 -3.7564 -3.7563 -3.7050 -3.7050 -3.6990 -3.6984 -3.6948 -3.6947 -3.5148 -3.5129 -3.5098 -3.5077 -3.4850 -3.4839 -2.4576 -2.4566 -2.4246 -2.4235 -2.4165 -2.4152 4.2751 4.2754 4.2940 4.2941 4.3052 4.3053 4.5105 4.5106 5.2354 5.2361 5.2422 5.2430 k = 0.0417 0.0417-0.0000 ( 8371 PWs) bands (ev): -18.0047 -18.0047 -17.9604 -17.9604 -17.9593 -17.9593 -17.9591 -17.9591 -8.5157 -8.5156 -8.5150 -8.5150 -8.1948 -8.1944 -7.9446 -7.9440 -7.9404 -7.9404 -7.4950 -7.4934 -7.4040 -7.3993 -7.3972 -7.3958 -7.3815 -7.3732 -7.0233 -7.0228 -7.0220 -7.0217 -5.6078 -5.6075 -4.8842 -4.8837 -4.8713 -4.8691 -4.8215 -4.8198 -3.7585 -3.7584 -3.7560 -3.7558 -3.7038 -3.7038 -3.6975 -3.6971 -3.6950 -3.6949 -3.5101 -3.5093 -3.5071 -3.5060 -3.4829 -3.4824 -2.4595 -2.4591 -2.4255 -2.4249 -2.4209 -2.4201 4.2726 4.2727 4.2920 4.2920 4.2980 4.2981 4.5021 4.5021 5.2375 5.2380 5.2413 5.2419 k = 0.0278 0.0278-0.0000 ( 8385 PWs) bands (ev): -18.0049 -18.0049 -17.9604 -17.9603 -17.9592 -17.9592 -17.9591 -17.9591 -8.5158 -8.5157 -8.5155 -8.5154 -8.1938 -8.1937 -7.9427 -7.9425 -7.9409 -7.9409 -7.4855 -7.4850 -7.4039 -7.4001 -7.3977 -7.3975 -7.3923 -7.3872 -7.0230 -7.0227 -7.0224 -7.0222 -5.5935 -5.5934 -4.8853 -4.8850 -4.8787 -4.8780 -4.8272 -4.8267 -3.7567 -3.7566 -3.7557 -3.7556 -3.7030 -3.7030 -3.6962 -3.6960 -3.6951 -3.6950 -3.5068 -3.5067 -3.5055 -3.5049 -3.4811 -3.4809 -2.4613 -2.4612 -2.4261 -2.4258 -2.4240 -2.4235 4.2704 4.2704 4.2906 4.2906 4.2932 4.2932 4.4960 4.4960 5.2389 5.2393 5.2407 5.2410 k = 0.0139 0.0139-0.0000 ( 8385 PWs) bands (ev): -18.0050 -18.0050 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5157 -8.5157 -8.1932 -8.1932 -7.9416 -7.9416 -7.9412 -7.9411 -7.4784 -7.4784 -7.4048 -7.4038 -7.3983 -7.3981 -7.3973 -7.3961 -7.0227 -7.0226 -7.0226 -7.0225 -5.5847 -5.5847 -4.8860 -4.8858 -4.8841 -4.8840 -4.8301 -4.8301 -3.7557 -3.7557 -3.7555 -3.7554 -3.7025 -3.7025 -3.6953 -3.6952 -3.6950 -3.6950 -3.5049 -3.5049 -3.5046 -3.5044 -3.4799 -3.4799 -2.4625 -2.4625 -2.4264 -2.4262 -2.4259 -2.4256 4.2689 4.2689 4.2898 4.2898 4.2904 4.2905 4.4924 4.4924 5.2399 5.2400 5.2403 5.2405 k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -18.0051 -18.0051 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5158 -8.5158 -8.1931 -8.1931 -7.9412 -7.9412 -7.9412 -7.9412 -7.4757 -7.4757 -7.4063 -7.4063 -7.3983 -7.3983 -7.3983 -7.3983 -7.0226 -7.0226 -7.0226 -7.0226 -5.5817 -5.5817 -4.8861 -4.8861 -4.8861 -4.8861 -4.8311 -4.8311 -3.7554 -3.7554 -3.7554 -3.7554 -3.7024 -3.7024 -3.6950 -3.6950 -3.6950 -3.6950 -3.5043 -3.5043 -3.5043 -3.5043 -3.4795 -3.4795 -2.4629 -2.4629 -2.4264 -2.4264 -2.4264 -2.4264 4.2684 4.2684 4.2896 4.2896 4.2896 4.2896 4.4911 4.4911 5.2402 5.2402 5.2402 5.2402 k = 0.0000 0.0000 0.0000 ( 8385 PWs) bands (ev): -18.0051 -18.0051 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5158 -8.5158 -8.1931 -8.1931 -7.9412 -7.9412 -7.9412 -7.9412 -7.4757 -7.4757 -7.4063 -7.4063 -7.3983 -7.3983 -7.3983 -7.3983 -7.0226 -7.0226 -7.0226 -7.0226 -5.5817 -5.5817 -4.8861 -4.8861 -4.8861 -4.8861 -4.8311 -4.8311 -3.7554 -3.7554 -3.7554 -3.7554 -3.7024 -3.7024 -3.6950 -3.6950 -3.6950 -3.6950 -3.5043 -3.5043 -3.5043 -3.5043 -3.4795 -3.4795 -2.4629 -2.4629 -2.4264 -2.4264 -2.4264 -2.4264 4.2684 4.2684 4.2896 4.2896 4.2896 4.2896 4.4911 4.4911 5.2402 5.2402 5.2402 5.2402 k = 0.0114 0.0114 0.0114 ( 8385 PWs) bands (ev): -18.0050 -18.0050 -17.9603 -17.9603 -17.9591 -17.9591 -17.9591 -17.9591 -8.5158 -8.5158 -8.5157 -8.5157 -8.1932 -8.1932 -7.9415 -7.9415 -7.9413 -7.9412 -7.4784 -7.4784 -7.4043 -7.4043 -7.3984 -7.3981 -7.3966 -7.3966 -7.0228 -7.0226 -7.0225 -7.0225 -5.5847 -5.5847 -4.8860 -4.8858 -4.8841 -4.8841 -4.8301 -4.8301 -3.7556 -3.7556 -3.7556 -3.7555 -3.7025 -3.7025 -3.6954 -3.6952 -3.6950 -3.6950 -3.5049 -3.5049 -3.5046 -3.5044 -3.4799 -3.4799 -2.4625 -2.4625 -2.4262 -2.4262 -2.4260 -2.4257 4.2689 4.2689 4.2898 4.2898 4.2905 4.2905 4.4924 4.4924 5.2400 5.2402 5.2402 5.2403 k = 0.0227 0.0227 0.0227 ( 8385 PWs) bands (ev): -18.0049 -18.0049 -17.9603 -17.9603 -17.9592 -17.9592 -17.9591 -17.9591 -8.5158 -8.5158 -8.5154 -8.5154 -8.1938 -8.1938 -7.9423 -7.9423 -7.9413 -7.9412 -7.4853 -7.4853 -7.4021 -7.4021 -7.3984 -7.3978 -7.3891 -7.3891 -7.0230 -7.0227 -7.0223 -7.0223 -5.5935 -5.5935 -4.8854 -4.8851 -4.8782 -4.8782 -4.8269 -4.8269 -3.7564 -3.7564 -3.7561 -3.7558 -3.7030 -3.7030 -3.6963 -3.6960 -3.6950 -3.6950 -3.5067 -3.5067 -3.5055 -3.5050 -3.4811 -3.4811 -2.4612 -2.4612 -2.4256 -2.4256 -2.4244 -2.4239 4.2704 4.2704 4.2907 4.2907 4.2932 4.2933 4.4961 4.4961 5.2398 5.2399 5.2399 5.2403 k = 0.0341 0.0341 0.0341 ( 8373 PWs) bands (ev): -18.0047 -18.0047 -17.9604 -17.9604 -17.9592 -17.9592 -17.9592 -17.9592 -8.5158 -8.5157 -8.5149 -8.5149 -8.1946 -8.1946 -7.9434 -7.9434 -7.9414 -7.9412 -7.4942 -7.4942 -7.4012 -7.4012 -7.3982 -7.3974 -7.3765 -7.3765 -7.0233 -7.0228 -7.0218 -7.0218 -5.6077 -5.6077 -4.8844 -4.8838 -4.8701 -4.8701 -4.8205 -4.8205 -3.7578 -3.7578 -3.7569 -3.7566 -3.7037 -3.7037 -3.6976 -3.6972 -3.6948 -3.6948 -3.5098 -3.5098 -3.5067 -3.5061 -3.4828 -3.4828 -2.4591 -2.4591 -2.4245 -2.4245 -2.4217 -2.4209 4.2723 4.2723 4.2927 4.2927 4.2978 4.2979 4.5022 4.5022 5.2394 5.2395 5.2395 5.2402 k = 0.0455 0.0455 0.0455 ( 8367 PWs) bands (ev): -18.0045 -18.0045 -17.9605 -17.9605 -17.9594 -17.9594 -17.9592 -17.9592 -8.5158 -8.5156 -8.5142 -8.5142 -8.1958 -8.1958 -7.9451 -7.9451 -7.9415 -7.9412 -7.5038 -7.5038 -7.4005 -7.4005 -7.3980 -7.3969 -7.3612 -7.3612 -7.0238 -7.0231 -7.0212 -7.0212 -5.6266 -5.6266 -4.8829 -4.8822 -4.8617 -4.8617 -4.8096 -4.8096 -3.7599 -3.7599 -3.7584 -3.7579 -3.7046 -3.7046 -3.6992 -3.6985 -3.6943 -3.6943 -3.5145 -3.5145 -3.5083 -3.5077 -3.4849 -3.4849 -2.4565 -2.4565 -2.4229 -2.4229 -2.4180 -2.4170 4.2739 4.2739 4.2966 4.2966 4.3042 4.3043 4.5107 4.5107 5.2388 5.2389 5.2389 5.2400 k = 0.0568 0.0568 0.0568 ( 8385 PWs) bands (ev): -18.0042 -18.0042 -17.9606 -17.9606 -17.9595 -17.9595 -17.9593 -17.9593 -8.5157 -8.5156 -8.5135 -8.5135 -8.1974 -8.1974 -7.9473 -7.9473 -7.9417 -7.9413 -7.5134 -7.5134 -7.3999 -7.3999 -7.3976 -7.3963 -7.3444 -7.3444 -7.0243 -7.0236 -7.0204 -7.0204 -5.6494 -5.6494 -4.8812 -4.8802 -4.8548 -4.8548 -4.7932 -4.7932 -3.7631 -3.7631 -3.7607 -3.7600 -3.7053 -3.7053 -3.7007 -3.6998 -3.6937 -3.6937 -3.5209 -3.5209 -3.5102 -3.5096 -3.4872 -3.4872 -2.4535 -2.4535 -2.4208 -2.4208 -2.4134 -2.4121 4.2747 4.2747 4.3029 4.3029 4.3123 4.3125 4.5215 4.5215 5.2381 5.2381 5.2381 5.2396 k = 0.0682 0.0682 0.0682 ( 8397 PWs) bands (ev): -18.0038 -18.0038 -17.9607 -17.9607 -17.9597 -17.9597 -17.9594 -17.9594 -8.5157 -8.5155 -8.5125 -8.5125 -8.1992 -8.1992 -7.9497 -7.9497 -7.9419 -7.9414 -7.5226 -7.5226 -7.3993 -7.3993 -7.3972 -7.3957 -7.3267 -7.3267 -7.0250 -7.0241 -7.0193 -7.0193 -5.6753 -5.6753 -4.8791 -4.8779 -4.8495 -4.8495 -4.7719 -4.7719 -3.7673 -3.7673 -3.7640 -3.7631 -3.7056 -3.7056 -3.7018 -3.7006 -3.6927 -3.6927 -3.5290 -3.5290 -3.5124 -3.5120 -3.4896 -3.4896 -2.4503 -2.4503 -2.4179 -2.4179 -2.4080 -2.4065 4.2747 4.2747 4.3116 4.3116 4.3223 4.3225 4.5345 4.5345 5.2369 5.2369 5.2371 5.2390 k = 0.0795 0.0795 0.0795 ( 8394 PWs) bands (ev): -18.0033 -18.0033 -17.9609 -17.9609 -17.9598 -17.9598 -17.9595 -17.9595 -8.5156 -8.5154 -8.5113 -8.5113 -8.2013 -8.2013 -7.9524 -7.9524 -7.9420 -7.9415 -7.5312 -7.5312 -7.3985 -7.3985 -7.3966 -7.3949 -7.3083 -7.3083 -7.0257 -7.0247 -7.0180 -7.0180 -5.7035 -5.7035 -4.8767 -4.8754 -4.8454 -4.8454 -4.7469 -4.7469 -3.7727 -3.7727 -3.7685 -3.7673 -3.7054 -3.7054 -3.7023 -3.7006 -3.6916 -3.6916 -3.5389 -3.5389 -3.5148 -3.5147 -3.4920 -3.4920 -2.4472 -2.4472 -2.4143 -2.4143 -2.4019 -2.4002 4.2742 4.2742 4.3227 4.3227 4.3341 4.3343 4.5498 4.5498 5.2355 5.2355 5.2359 5.2381 k = 0.0909 0.0909 0.0909 ( 8394 PWs) bands (ev): -18.0028 -18.0028 -17.9611 -17.9611 -17.9600 -17.9600 -17.9596 -17.9596 -8.5155 -8.5153 -8.5099 -8.5099 -8.2036 -8.2036 -7.9553 -7.9553 -7.9422 -7.9416 -7.5393 -7.5393 -7.3977 -7.3977 -7.3960 -7.3941 -7.2897 -7.2897 -7.0264 -7.0254 -7.0163 -7.0163 -5.7334 -5.7334 -4.8742 -4.8727 -4.8419 -4.8419 -4.7194 -4.7194 -3.7791 -3.7791 -3.7742 -3.7726 -3.7044 -3.7044 -3.7019 -3.6999 -3.6902 -3.6902 -3.5505 -3.5505 -3.5176 -3.5173 -3.4944 -3.4944 -2.4443 -2.4443 -2.4099 -2.4099 -2.3953 -2.3935 4.2733 4.2733 4.3357 4.3357 4.3477 4.3479 4.5670 4.5670 5.2336 5.2336 5.2343 5.2369 k = 0.1023 0.1023 0.1023 ( 8394 PWs) bands (ev): -18.0022 -18.0022 -17.9614 -17.9614 -17.9602 -17.9602 -17.9598 -17.9598 -8.5154 -8.5152 -8.5084 -8.5084 -8.2061 -8.2061 -7.9582 -7.9582 -7.9424 -7.9418 -7.5467 -7.5467 -7.3968 -7.3968 -7.3953 -7.3933 -7.2711 -7.2711 -7.0271 -7.0261 -7.0142 -7.0142 -5.7643 -5.7643 -4.8715 -4.8698 -4.8389 -4.8389 -4.6902 -4.6902 -3.7863 -3.7863 -3.7810 -3.7788 -3.7028 -3.7028 -3.7006 -3.6982 -3.6887 -3.6887 -3.5637 -3.5637 -3.5208 -3.5199 -3.4968 -3.4968 -2.4418 -2.4418 -2.4047 -2.4047 -2.3883 -2.3864 4.2724 4.2724 4.3507 4.3507 4.3630 4.3632 4.5861 4.5861 5.2312 5.2312 5.2324 5.2354 k = 0.1136 0.1136 0.1136 ( 8391 PWs) bands (ev): -18.0015 -18.0015 -17.9616 -17.9616 -17.9604 -17.9604 -17.9599 -17.9599 -8.5153 -8.5150 -8.5069 -8.5069 -8.2088 -8.2088 -7.9611 -7.9611 -7.9426 -7.9420 -7.5534 -7.5534 -7.3959 -7.3959 -7.3944 -7.3925 -7.2528 -7.2528 -7.0279 -7.0269 -7.0117 -7.0117 -5.7956 -5.7956 -4.8689 -4.8670 -4.8362 -4.8362 -4.6599 -4.6599 -3.7942 -3.7942 -3.7886 -3.7859 -3.7006 -3.7006 -3.6985 -3.6956 -3.6869 -3.6869 -3.5784 -3.5784 -3.5242 -3.5225 -3.4991 -3.4991 -2.4398 -2.4398 -2.3990 -2.3990 -2.3811 -2.3792 4.2715 4.2715 4.3676 4.3676 4.3800 4.3803 4.6070 4.6070 5.2282 5.2282 5.2299 5.2334 k = 0.1250 0.1250 0.1250 ( 8397 PWs) bands (ev): -18.0008 -18.0008 -17.9620 -17.9620 -17.9606 -17.9606 -17.9601 -17.9601 -8.5152 -8.5149 -8.5052 -8.5052 -8.2117 -8.2117 -7.9640 -7.9640 -7.9427 -7.9422 -7.5595 -7.5595 -7.3950 -7.3950 -7.3936 -7.3916 -7.2351 -7.2351 -7.0286 -7.0277 -7.0087 -7.0087 -5.8269 -5.8269 -4.8664 -4.8642 -4.8338 -4.8338 -4.6291 -4.6291 -3.8024 -3.8024 -3.7968 -3.7934 -3.6980 -3.6980 -3.6957 -3.6924 -3.6850 -3.6850 -3.5945 -3.5945 -3.5277 -3.5252 -3.5016 -3.5016 -2.4381 -2.4381 -2.3930 -2.3930 -2.3739 -2.3719 4.2708 4.2708 4.3863 4.3863 4.3987 4.3990 4.6293 4.6293 5.2246 5.2246 5.2269 5.2308 k = 0.1364 0.1364 0.1364 ( 8409 PWs) bands (ev): -18.0001 -18.0001 -17.9623 -17.9623 -17.9609 -17.9609 -17.9602 -17.9602 -8.5151 -8.5148 -8.5036 -8.5036 -8.2145 -8.2145 -7.9667 -7.9667 -7.9430 -7.9424 -7.5651 -7.5651 -7.3941 -7.3941 -7.3927 -7.3908 -7.2184 -7.2184 -7.0294 -7.0285 -7.0052 -7.0052 -5.8575 -5.8575 -4.8641 -4.8617 -4.8318 -4.8318 -4.5981 -4.5981 -3.8107 -3.8107 -3.8053 -3.8012 -3.6950 -3.6950 -3.6923 -3.6884 -3.6829 -3.6829 -3.6118 -3.6118 -3.5314 -3.5278 -3.5040 -3.5040 -2.4367 -2.4367 -2.3868 -2.3868 -2.3669 -2.3648 4.2703 4.2703 4.4066 4.4066 4.4191 4.4194 4.6530 4.6530 5.2201 5.2201 5.2232 5.2276 k = 0.1477 0.1477 0.1477 ( 8415 PWs) bands (ev): -17.9993 -17.9993 -17.9627 -17.9627 -17.9611 -17.9611 -17.9604 -17.9604 -8.5150 -8.5146 -8.5019 -8.5019 -8.2174 -8.2174 -7.9694 -7.9694 -7.9432 -7.9426 -7.5700 -7.5700 -7.3931 -7.3931 -7.3918 -7.3899 -7.2027 -7.2027 -7.0301 -7.0293 -7.0012 -7.0012 -5.8872 -5.8872 -4.8620 -4.8594 -4.8302 -4.8302 -4.5674 -4.5674 -3.8188 -3.8188 -3.8137 -3.8089 -3.6918 -3.6918 -3.6885 -3.6839 -3.6805 -3.6805 -3.6301 -3.6301 -3.5351 -3.5304 -3.5064 -3.5064 -2.4357 -2.4357 -2.3806 -2.3806 -2.3601 -2.3580 4.2703 4.2703 4.4287 4.4287 4.4410 4.4414 4.6777 4.6777 5.2148 5.2148 5.2188 5.2237 k = 0.1591 0.1591 0.1591 ( 8412 PWs) bands (ev): -17.9984 -17.9984 -17.9631 -17.9631 -17.9613 -17.9613 -17.9606 -17.9606 -8.5149 -8.5145 -8.5002 -8.5002 -8.2202 -8.2202 -7.9718 -7.9718 -7.9433 -7.9429 -7.5744 -7.5744 -7.3922 -7.3922 -7.3908 -7.3891 -7.1885 -7.1885 -7.0307 -7.0301 -6.9967 -6.9967 -5.9152 -5.9152 -4.8604 -4.8576 -4.8291 -4.8291 -4.5372 -4.5372 -3.8265 -3.8265 -3.8219 -3.8162 -3.6888 -3.6888 -3.6842 -3.6789 -3.6782 -3.6782 -3.6486 -3.6486 -3.5388 -3.5328 -3.5088 -3.5088 -2.4349 -2.4349 -2.3747 -2.3747 -2.3537 -2.3516 4.2708 4.2708 4.4523 4.4523 4.4644 4.4648 4.7033 4.7033 5.2086 5.2086 5.2136 5.2190 k = 0.1705 0.1705 0.1705 ( 8424 PWs) bands (ev): -17.9976 -17.9976 -17.9635 -17.9635 -17.9615 -17.9615 -17.9608 -17.9608 -8.5148 -8.5144 -8.4986 -8.4986 -8.2229 -8.2229 -7.9740 -7.9740 -7.9435 -7.9431 -7.5782 -7.5782 -7.3913 -7.3913 -7.3899 -7.3883 -7.1760 -7.1760 -7.0313 -7.0308 -6.9918 -6.9918 -5.9413 -5.9413 -4.8592 -4.8562 -4.8285 -4.8285 -4.5080 -4.5080 -3.8335 -3.8335 -3.8295 -3.8231 -3.6879 -3.6879 -3.6796 -3.6769 -3.6769 -3.6735 -3.6646 -3.6646 -3.5426 -3.5351 -3.5111 -3.5111 -2.4344 -2.4344 -2.3692 -2.3692 -2.3478 -2.3458 4.2718 4.2718 4.4774 4.4774 4.4893 4.4897 4.7295 4.7295 5.2013 5.2013 5.2075 5.2135 k = 0.1818 0.1818 0.1818 ( 8415 PWs) bands (ev): -17.9967 -17.9967 -17.9639 -17.9639 -17.9617 -17.9617 -17.9610 -17.9610 -8.5146 -8.5142 -8.4971 -8.4971 -8.2253 -8.2253 -7.9760 -7.9760 -7.9436 -7.9432 -7.5815 -7.5815 -7.3905 -7.3905 -7.3889 -7.3876 -7.1653 -7.1653 -7.0317 -7.0314 -6.9866 -6.9866 -5.9649 -5.9649 -4.8587 -4.8555 -4.8285 -4.8285 -4.4801 -4.4801 -3.8397 -3.8397 -3.8363 -3.8291 -3.6976 -3.6976 -3.6773 -3.6773 -3.6748 -3.6681 -3.6681 -3.6677 -3.5463 -3.5373 -3.5134 -3.5134 -2.4341 -2.4341 -2.3643 -2.3643 -2.3425 -2.3406 4.2736 4.2736 4.5040 4.5040 4.5155 4.5159 4.7559 4.7559 5.1929 5.1929 5.2005 5.2071 k = 0.1932 0.1932 0.1932 ( 8415 PWs) bands (ev): -17.9958 -17.9958 -17.9643 -17.9643 -17.9620 -17.9620 -17.9613 -17.9613 -8.5144 -8.5140 -8.4957 -8.4957 -8.2275 -8.2275 -7.9776 -7.9776 -7.9437 -7.9434 -7.5843 -7.5843 -7.3897 -7.3897 -7.3879 -7.3869 -7.1564 -7.1564 -7.0321 -7.0320 -6.9816 -6.9816 -5.9856 -5.9856 -4.8588 -4.8554 -4.8293 -4.8293 -4.4538 -4.4538 -3.8450 -3.8450 -3.8421 -3.8342 -3.7162 -3.7162 -3.6753 -3.6753 -3.6699 -3.6652 -3.6652 -3.6616 -3.5500 -3.5392 -3.5155 -3.5155 -2.4340 -2.4340 -2.3600 -2.3600 -2.3380 -2.3361 4.2761 4.2761 4.5318 4.5318 4.5428 4.5433 4.7824 4.7824 5.1835 5.1835 5.1927 5.1998 k = 0.2045 0.2045 0.2045 ( 8409 PWs) bands (ev): -17.9949 -17.9949 -17.9648 -17.9648 -17.9622 -17.9622 -17.9615 -17.9615 -8.5143 -8.5139 -8.4944 -8.4944 -8.2294 -8.2294 -7.9790 -7.9790 -7.9438 -7.9436 -7.5865 -7.5865 -7.3889 -7.3889 -7.3870 -7.3862 -7.1494 -7.1494 -7.0324 -7.0323 -6.9769 -6.9769 -6.0030 -6.0030 -4.8596 -4.8560 -4.8307 -4.8307 -4.4298 -4.4298 -3.8491 -3.8491 -3.8468 -3.8382 -3.7361 -3.7361 -3.6725 -3.6725 -3.6649 -3.6612 -3.6612 -3.6553 -3.5535 -3.5409 -3.5175 -3.5175 -2.4341 -2.4341 -2.3564 -2.3564 -2.3343 -2.3325 4.2795 4.2795 4.5608 4.5608 4.5712 4.5716 4.8084 4.8084 5.1731 5.1731 5.1841 5.1916 k = 0.2159 0.2159 0.2159 ( 8400 PWs) bands (ev): -17.9939 -17.9939 -17.9652 -17.9652 -17.9624 -17.9624 -17.9617 -17.9617 -8.5142 -8.5137 -8.4934 -8.4934 -8.2308 -8.2308 -7.9801 -7.9801 -7.9439 -7.9437 -7.5883 -7.5883 -7.3883 -7.3883 -7.3861 -7.3856 -7.1443 -7.1443 -7.0327 -7.0323 -6.9730 -6.9730 -6.0165 -6.0165 -4.8612 -4.8575 -4.8329 -4.8329 -4.4084 -4.4084 -3.8522 -3.8522 -3.8503 -3.8409 -3.7557 -3.7557 -3.6696 -3.6696 -3.6600 -3.6568 -3.6568 -3.6490 -3.5570 -3.5422 -3.5194 -3.5194 -2.4344 -2.4344 -2.3537 -2.3537 -2.3314 -2.3298 4.2838 4.2838 4.5907 4.5907 4.6003 4.6008 4.8339 4.8339 5.1620 5.1620 5.1749 5.1829 k = 0.2273 0.2273 0.2273 ( 8406 PWs) bands (ev): -17.9930 -17.9930 -17.9656 -17.9656 -17.9627 -17.9627 -17.9619 -17.9619 -8.5141 -8.5136 -8.4926 -8.4926 -8.2319 -8.2319 -7.9810 -7.9810 -7.9440 -7.9439 -7.5897 -7.5897 -7.3877 -7.3877 -7.3853 -7.3851 -7.1409 -7.1409 -7.0330 -7.0323 -6.9702 -6.9702 -6.0260 -6.0260 -4.8637 -4.8599 -4.8360 -4.8360 -4.3905 -4.3905 -3.8541 -3.8541 -3.8523 -3.8423 -3.7738 -3.7738 -3.6668 -3.6668 -3.6552 -3.6523 -3.6523 -3.6426 -3.5602 -3.5432 -3.5211 -3.5211 -2.4349 -2.4349 -2.3519 -2.3519 -2.3295 -2.3280 4.2891 4.2891 4.6211 4.6211 4.6299 4.6303 4.8583 4.8583 5.1503 5.1503 5.1653 5.1736 k = 0.2386 0.2386 0.2386 ( 8412 PWs) bands (ev): -17.9921 -17.9921 -17.9660 -17.9660 -17.9629 -17.9629 -17.9622 -17.9622 -8.5140 -8.5136 -8.4920 -8.4920 -8.2325 -8.2325 -7.9815 -7.9815 -7.9440 -7.9440 -7.5905 -7.5905 -7.3873 -7.3873 -7.3848 -7.3846 -7.1392 -7.1392 -7.0331 -7.0322 -6.9687 -6.9687 -6.0312 -6.0312 -4.8669 -4.8631 -4.8398 -4.8398 -4.3766 -4.3766 -3.8551 -3.8551 -3.8530 -3.8423 -3.7897 -3.7897 -3.6639 -3.6639 -3.6507 -3.6477 -3.6477 -3.6362 -3.5631 -3.5437 -3.5225 -3.5225 -2.4355 -2.4355 -2.3510 -2.3510 -2.3286 -2.3272 4.2955 4.2955 4.6519 4.6519 4.6596 4.6600 4.8813 4.8813 5.1385 5.1385 5.1557 5.1643 k = 0.2500 0.2500 0.2500 ( 8394 PWs) bands (ev): -17.9912 -17.9912 -17.9664 -17.9664 -17.9631 -17.9631 -17.9624 -17.9624 -8.5139 -8.5134 -8.4917 -8.4917 -8.2326 -8.2326 -7.9817 -7.9817 -7.9441 -7.9440 -7.5909 -7.5909 -7.3869 -7.3869 -7.3844 -7.3839 -7.1393 -7.1393 -7.0331 -7.0319 -6.9687 -6.9687 -6.0318 -6.0318 -4.8710 -4.8671 -4.8444 -4.8444 -4.3674 -4.3674 -3.8554 -3.8554 -3.8521 -3.8409 -3.8022 -3.8022 -3.6611 -3.6611 -3.6464 -3.6431 -3.6431 -3.6301 -3.5657 -3.5437 -3.5236 -3.5236 -2.4363 -2.4363 -2.3510 -2.3510 -2.3287 -2.3274 4.3030 4.3030 4.6824 4.6824 4.6889 4.6892 4.9028 4.9028 5.1272 5.1272 5.1468 5.1554 k = 0.2614 0.2614 0.2614 ( 8400 PWs) bands (ev): -17.9903 -17.9903 -17.9668 -17.9668 -17.9634 -17.9634 -17.9626 -17.9626 -8.5138 -8.5133 -8.4917 -8.4917 -8.2322 -8.2322 -7.9816 -7.9816 -7.9442 -7.9440 -7.5908 -7.5908 -7.3867 -7.3867 -7.3841 -7.3833 -7.1410 -7.1410 -7.0330 -7.0315 -6.9702 -6.9702 -6.0278 -6.0278 -4.8759 -4.8720 -4.8497 -4.8497 -4.3637 -4.3637 -3.8552 -3.8552 -3.8499 -3.8380 -3.8104 -3.8104 -3.6583 -3.6583 -3.6426 -3.6388 -3.6388 -3.6244 -3.5676 -3.5432 -3.5244 -3.5244 -2.4372 -2.4372 -2.3520 -2.3520 -2.3298 -2.3286 4.3116 4.3116 4.7119 4.7119 4.7172 4.7174 4.9222 4.9222 5.1171 5.1171 5.1390 5.1476 k = 0.2727 0.2727 0.2727 ( 8406 PWs) bands (ev): -17.9895 -17.9895 -17.9671 -17.9671 -17.9636 -17.9636 -17.9629 -17.9629 -8.5137 -8.5132 -8.4919 -8.4919 -8.2313 -8.2313 -7.9812 -7.9812 -7.9442 -7.9439 -7.5903 -7.5903 -7.3865 -7.3865 -7.3840 -7.3828 -7.1446 -7.1446 -7.0327 -7.0310 -6.9730 -6.9730 -6.0194 -6.0194 -4.8815 -4.8776 -4.8557 -4.8557 -4.3661 -4.3661 -3.8545 -3.8545 -3.8462 -3.8339 -3.8140 -3.8140 -3.6555 -3.6555 -3.6392 -3.6348 -3.6348 -3.6195 -3.5686 -3.5420 -3.5248 -3.5248 -2.4383 -2.4383 -2.3540 -2.3540 -2.3319 -2.3308 4.3214 4.3214 4.7396 4.7396 4.7436 4.7436 4.9395 4.9395 5.1092 5.1092 5.1333 5.1417 k = 0.2841 0.2841 0.2841 ( 8387 PWs) bands (ev): -17.9887 -17.9887 -17.9674 -17.9674 -17.9638 -17.9638 -17.9631 -17.9631 -8.5136 -8.5131 -8.4924 -8.4924 -8.2300 -8.2300 -7.9805 -7.9805 -7.9442 -7.9438 -7.5893 -7.5893 -7.3865 -7.3865 -7.3838 -7.3824 -7.1500 -7.1500 -7.0323 -7.0303 -6.9768 -6.9768 -6.0066 -6.0066 -4.8878 -4.8839 -4.8622 -4.8622 -4.3746 -4.3746 -3.8529 -3.8529 -3.8411 -3.8284 -3.8132 -3.8132 -3.6527 -3.6527 -3.6364 -3.6310 -3.6310 -3.6154 -3.5686 -3.5403 -3.5248 -3.5248 -2.4394 -2.4394 -2.3569 -2.3569 -2.3349 -2.3339 4.3324 4.3324 4.7644 4.7644 4.7670 4.7673 4.9542 4.9542 5.1047 5.1047 5.1307 5.1387 k = 0.2955 0.2955 0.2955 ( 8387 PWs) bands (ev): -17.9880 -17.9880 -17.9676 -17.9676 -17.9641 -17.9641 -17.9633 -17.9633 -8.5135 -8.5131 -8.4932 -8.4932 -8.2282 -8.2282 -7.9796 -7.9796 -7.9441 -7.9437 -7.5879 -7.5879 -7.3865 -7.3865 -7.3838 -7.3820 -7.1573 -7.1573 -7.0318 -7.0296 -6.9813 -6.9813 -5.9897 -5.9897 -4.8946 -4.8907 -4.8693 -4.8693 -4.3892 -4.3892 -3.8495 -3.8495 -3.8349 -3.8218 -3.8089 -3.8089 -3.6501 -3.6501 -3.6340 -3.6278 -3.6278 -3.6127 -3.5672 -3.5379 -3.5243 -3.5243 -2.4406 -2.4406 -2.3607 -2.3607 -2.3388 -2.3380 4.3447 4.3447 4.7850 4.7850 4.7865 4.7873 4.9662 4.9662 5.1048 5.1048 5.1322 5.1395 k = 0.3068 0.3068 0.3068 ( 8396 PWs) bands (ev): -17.9873 -17.9873 -17.9678 -17.9678 -17.9643 -17.9643 -17.9635 -17.9635 -8.5134 -8.5130 -8.4942 -8.4942 -8.2261 -8.2261 -7.9783 -7.9783 -7.9441 -7.9436 -7.5860 -7.5860 -7.3867 -7.3867 -7.3838 -7.3818 -7.1666 -7.1666 -7.0312 -7.0288 -6.9862 -6.9862 -5.9690 -5.9690 -4.9019 -4.8982 -4.8768 -4.8768 -4.4096 -4.4096 -3.8439 -3.8439 -3.8276 -3.8142 -3.8022 -3.8022 -3.6475 -3.6475 -3.6322 -3.6249 -3.6249 -3.6113 -3.5644 -3.5350 -3.5234 -3.5234 -2.4419 -2.4419 -2.3652 -2.3652 -2.3436 -2.3429 4.3581 4.3581 4.8002 4.8002 4.8013 4.8026 4.9754 4.9754 5.1107 5.1107 5.1385 5.1450 k = 0.3182 0.3182 0.3182 ( 8384 PWs) bands (ev): -17.9867 -17.9867 -17.9679 -17.9679 -17.9645 -17.9645 -17.9638 -17.9638 -8.5133 -8.5129 -8.4953 -8.4953 -8.2236 -8.2236 -7.9767 -7.9767 -7.9440 -7.9435 -7.5836 -7.5836 -7.3870 -7.3870 -7.3839 -7.3816 -7.1779 -7.1779 -7.0304 -7.0279 -6.9910 -6.9910 -5.9449 -5.9449 -4.9095 -4.9059 -4.8846 -4.8846 -4.4351 -4.4351 -3.8361 -3.8361 -3.8192 -3.8056 -3.7936 -3.7936 -3.6449 -3.6449 -3.6307 -3.6225 -3.6225 -3.6110 -3.5603 -3.5317 -3.5219 -3.5219 -2.4432 -2.4432 -2.3705 -2.3705 -2.3492 -2.3486 4.3728 4.3728 4.8095 4.8095 4.8110 4.8129 4.9816 4.9816 5.1226 5.1226 5.1499 5.1555 k = 0.3295 0.3295 0.3295 ( 8378 PWs) bands (ev): -17.9862 -17.9862 -17.9680 -17.9680 -17.9647 -17.9647 -17.9640 -17.9640 -8.5133 -8.5129 -8.4966 -8.4966 -8.2209 -8.2209 -7.9749 -7.9749 -7.9439 -7.9433 -7.5807 -7.5807 -7.3873 -7.3873 -7.3840 -7.3816 -7.1910 -7.1910 -7.0296 -7.0270 -6.9955 -6.9955 -5.9176 -5.9176 -4.9174 -4.9140 -4.8925 -4.8925 -4.4650 -4.4650 -3.8266 -3.8266 -3.8102 -3.7964 -3.7838 -3.7838 -3.6425 -3.6425 -3.6296 -3.6206 -3.6206 -3.6115 -3.5554 -3.5279 -3.5201 -3.5201 -2.4446 -2.4446 -2.3765 -2.3765 -2.3554 -2.3550 4.3887 4.3887 4.8132 4.8132 4.8157 4.8182 4.9849 4.9849 5.1403 5.1403 5.1661 5.1708 k = 0.3409 0.3409 0.3409 ( 8378 PWs) bands (ev): -17.9857 -17.9857 -17.9680 -17.9680 -17.9649 -17.9649 -17.9642 -17.9642 -8.5133 -8.5129 -8.4980 -8.4980 -8.2180 -8.2180 -7.9728 -7.9728 -7.9438 -7.9432 -7.5773 -7.5773 -7.3878 -7.3878 -7.3841 -7.3816 -7.2058 -7.2058 -7.0287 -7.0260 -6.9995 -6.9995 -5.8877 -5.8877 -4.9254 -4.9222 -4.9006 -4.9006 -4.4985 -4.4985 -3.8157 -3.8157 -3.8005 -3.7866 -3.7730 -3.7730 -3.6401 -3.6401 -3.6288 -3.6191 -3.6191 -3.6126 -3.5499 -3.5239 -3.5179 -3.5179 -2.4460 -2.4460 -2.3830 -2.3830 -2.3623 -2.3620 4.4058 4.4058 4.8121 4.8121 4.8162 4.8191 4.9852 4.9852 5.1624 5.1624 5.1862 5.1898 k = 0.3523 0.3523 0.3523 ( 8378 PWs) bands (ev): -17.9854 -17.9854 -17.9680 -17.9680 -17.9651 -17.9651 -17.9643 -17.9643 -8.5132 -8.5129 -8.4996 -8.4996 -8.2150 -8.2150 -7.9705 -7.9705 -7.9437 -7.9430 -7.5735 -7.5735 -7.3883 -7.3883 -7.3843 -7.3816 -7.2220 -7.2220 -7.0277 -7.0250 -7.0031 -7.0031 -5.8553 -5.8553 -4.9335 -4.9304 -4.9086 -4.9086 -4.5350 -4.5350 -3.8039 -3.8039 -3.7904 -3.7765 -3.7615 -3.7615 -3.6379 -3.6379 -3.6282 -3.6180 -3.6180 -3.6139 -3.5440 -3.5197 -3.5153 -3.5153 -2.4475 -2.4475 -2.3898 -2.3898 -2.3696 -2.3694 4.4241 4.4241 4.8075 4.8075 4.8134 4.8166 4.9825 4.9825 5.1875 5.1875 5.2088 5.2115 k = 0.3636 0.3636 0.3636 ( 8378 PWs) bands (ev): -17.9850 -17.9850 -17.9679 -17.9679 -17.9652 -17.9652 -17.9645 -17.9645 -8.5132 -8.5129 -8.5011 -8.5011 -8.2120 -8.2120 -7.9679 -7.9679 -7.9435 -7.9429 -7.5691 -7.5691 -7.3890 -7.3890 -7.3844 -7.3818 -7.2394 -7.2394 -7.0267 -7.0240 -7.0061 -7.0061 -5.8210 -5.8210 -4.9414 -4.9385 -4.9166 -4.9166 -4.5739 -4.5739 -3.7917 -3.7917 -3.7802 -3.7664 -3.7497 -3.7497 -3.6358 -3.6358 -3.6277 -3.6173 -3.6173 -3.6153 -3.5381 -3.5154 -3.5125 -3.5125 -2.4490 -2.4490 -2.3969 -2.3969 -2.3773 -2.3772 4.4435 4.4435 4.8007 4.8007 4.8082 4.8117 4.9768 4.9768 5.2140 5.2140 5.2326 5.2346 k = 0.3750 0.3750 0.3750 ( 8381 PWs) bands (ev): -17.9848 -17.9848 -17.9678 -17.9678 -17.9654 -17.9654 -17.9647 -17.9647 -8.5132 -8.5129 -8.5027 -8.5027 -8.2089 -8.2089 -7.9651 -7.9651 -7.9434 -7.9427 -7.5642 -7.5642 -7.3897 -7.3897 -7.3846 -7.3820 -7.2576 -7.2576 -7.0257 -7.0230 -7.0086 -7.0086 -5.7850 -5.7850 -4.9492 -4.9465 -4.9243 -4.9243 -4.6145 -4.6145 -3.7794 -3.7794 -3.7699 -3.7563 -3.7378 -3.7378 -3.6339 -3.6339 -3.6272 -3.6169 -3.6169 -3.6166 -3.5321 -3.5111 -3.5096 -3.5096 -2.4505 -2.4505 -2.4041 -2.4041 -2.3852 -2.3851 4.4640 4.4640 4.7924 4.7924 4.8016 4.8051 4.9682 4.9682 5.2405 5.2405 5.2564 5.2578 k = 0.3864 0.3864 0.3864 ( 8375 PWs) bands (ev): -17.9846 -17.9846 -17.9676 -17.9676 -17.9655 -17.9655 -17.9649 -17.9649 -8.5132 -8.5129 -8.5042 -8.5042 -8.2060 -8.2060 -7.9623 -7.9623 -7.9432 -7.9426 -7.5587 -7.5587 -7.3905 -7.3905 -7.3848 -7.3822 -7.2762 -7.2762 -7.0246 -7.0221 -7.0107 -7.0107 -5.7476 -5.7476 -4.9566 -4.9541 -4.9316 -4.9316 -4.6564 -4.6564 -3.7673 -3.7673 -3.7599 -3.7466 -3.7259 -3.7259 -3.6321 -3.6321 -3.6268 -3.6178 -3.6167 -3.6167 -3.5262 -3.5069 -3.5066 -3.5066 -2.4522 -2.4522 -2.4111 -2.4111 -2.3931 -2.3931 4.4855 4.4855 4.7836 4.7836 4.7943 4.7977 4.9569 4.9569 5.2661 5.2661 5.2794 5.2802 k = 0.3977 0.3977 0.3977 ( 8363 PWs) bands (ev): -17.9845 -17.9845 -17.9674 -17.9674 -17.9656 -17.9656 -17.9650 -17.9650 -8.5132 -8.5129 -8.5057 -8.5057 -8.2031 -8.2031 -7.9593 -7.9593 -7.9431 -7.9424 -7.5525 -7.5525 -7.3915 -7.3915 -7.3849 -7.3824 -7.2951 -7.2951 -7.0236 -7.0212 -7.0123 -7.0123 -5.7093 -5.7093 -4.9635 -4.9613 -4.9386 -4.9386 -4.6991 -4.6991 -3.7558 -3.7558 -3.7502 -3.7374 -3.7144 -3.7144 -3.6304 -3.6304 -3.6262 -3.6188 -3.6168 -3.6168 -3.5205 -3.5035 -3.5035 -3.5029 -2.4540 -2.4540 -2.4177 -2.4177 -2.4010 -2.4009 4.5080 4.5080 4.7747 4.7747 4.7866 4.7899 4.9431 4.9431 5.2899 5.2899 5.3007 5.3010 k = 0.4091 0.4091 0.4091 ( 8366 PWs) bands (ev): -17.9844 -17.9844 -17.9673 -17.9673 -17.9657 -17.9657 -17.9651 -17.9651 -8.5131 -8.5129 -8.5071 -8.5071 -8.2005 -8.2005 -7.9564 -7.9564 -7.9429 -7.9423 -7.5458 -7.5458 -7.3927 -7.3927 -7.3851 -7.3828 -7.3137 -7.3137 -7.0226 -7.0203 -7.0137 -7.0137 -5.6705 -5.6705 -4.9700 -4.9680 -4.9452 -4.9452 -4.7419 -4.7419 -3.7450 -3.7450 -3.7412 -3.7290 -3.7034 -3.7034 -3.6289 -3.6289 -3.6256 -3.6195 -3.6170 -3.6170 -3.5150 -3.5006 -3.5006 -3.4992 -2.4562 -2.4562 -2.4238 -2.4238 -2.4086 -2.4085 4.5315 4.5315 4.7660 4.7660 4.7791 4.7822 4.9269 4.9269 5.3113 5.3113 5.3197 5.3198 k = 0.4205 0.4205 0.4205 ( 8372 PWs) bands (ev): -17.9843 -17.9843 -17.9671 -17.9671 -17.9658 -17.9658 -17.9653 -17.9652 -8.5132 -8.5129 -8.5084 -8.5084 -8.1981 -8.1981 -7.9535 -7.9535 -7.9427 -7.9422 -7.5383 -7.5383 -7.3943 -7.3943 -7.3853 -7.3831 -7.3318 -7.3318 -7.0217 -7.0196 -7.0148 -7.0148 -5.6317 -5.6317 -4.9759 -4.9742 -4.9513 -4.9513 -4.7843 -4.7843 -3.7352 -3.7352 -3.7328 -3.7215 -3.6931 -3.6931 -3.6277 -3.6277 -3.6248 -3.6200 -3.6173 -3.6173 -3.5099 -3.4978 -3.4978 -3.4958 -2.4586 -2.4586 -2.4291 -2.4291 -2.4158 -2.4157 4.5557 4.5557 4.7579 4.7579 4.7720 4.7748 4.9086 4.9086 5.3300 5.3300 5.3362 5.3365 k = 0.4318 0.4318 0.4318 ( 8372 PWs) bands (ev): -17.9843 -17.9843 -17.9670 -17.9670 -17.9658 -17.9658 -17.9654 -17.9654 -8.5132 -8.5130 -8.5096 -8.5096 -8.1959 -8.1959 -7.9508 -7.9508 -7.9426 -7.9421 -7.5302 -7.5302 -7.3966 -7.3966 -7.3853 -7.3834 -7.3487 -7.3487 -7.0208 -7.0190 -7.0157 -7.0157 -5.5935 -5.5935 -4.9812 -4.9797 -4.9569 -4.9569 -4.8255 -4.8255 -3.7263 -3.7263 -3.7253 -3.7151 -3.6836 -3.6836 -3.6267 -3.6267 -3.6239 -3.6202 -3.6178 -3.6178 -3.5051 -3.4953 -3.4953 -3.4929 -2.4613 -2.4613 -2.4334 -2.4334 -2.4224 -2.4223 4.5807 4.5807 4.7507 4.7507 4.7656 4.7680 4.8885 4.8885 5.3460 5.3460 5.3502 5.3507 k = 0.4432 0.4432 0.4432 ( 8372 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9658 -17.9658 -17.9654 -17.9654 -8.5132 -8.5130 -8.5106 -8.5106 -8.1941 -8.1941 -7.9483 -7.9483 -7.9424 -7.9420 -7.5215 -7.5215 -7.4006 -7.4006 -7.3854 -7.3837 -7.3633 -7.3633 -7.0200 -7.0184 -7.0163 -7.0163 -5.5567 -5.5567 -4.9857 -4.9845 -4.9622 -4.9622 -4.8645 -4.8645 -3.7187 -3.7187 -3.7187 -3.7099 -3.6749 -3.6749 -3.6260 -3.6260 -3.6230 -3.6202 -3.6183 -3.6183 -3.5008 -3.4930 -3.4930 -3.4905 -2.4643 -2.4643 -2.4367 -2.4367 -2.4283 -2.4282 4.6063 4.6063 4.7443 4.7443 4.7599 4.7620 4.8667 4.8667 5.3591 5.3591 5.3619 5.3624 k = 0.4545 0.4545 0.4545 ( 8378 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9658 -17.9658 -17.9655 -17.9655 -8.5132 -8.5130 -8.5115 -8.5115 -8.1925 -8.1925 -7.9461 -7.9461 -7.9423 -7.9419 -7.5120 -7.5120 -7.4076 -7.4076 -7.3854 -7.3840 -7.3741 -7.3741 -7.0193 -7.0180 -7.0168 -7.0168 -5.5225 -5.5225 -4.9895 -4.9885 -4.9674 -4.9674 -4.8997 -4.8997 -3.7132 -3.7124 -3.7124 -3.7058 -3.6674 -3.6674 -3.6257 -3.6257 -3.6221 -3.6200 -3.6187 -3.6187 -3.4969 -3.4910 -3.4910 -3.4886 -2.4672 -2.4672 -2.4391 -2.4391 -2.4333 -2.4332 4.6323 4.6323 4.7391 4.7391 4.7552 4.7569 4.8436 4.8436 5.3695 5.3695 5.3712 5.3717 k = 0.4659 0.4659 0.4659 ( 8372 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9656 -17.9656 -8.5131 -8.5130 -8.5122 -8.5122 -8.1913 -8.1913 -7.9443 -7.9443 -7.9422 -7.9419 -7.5020 -7.5020 -7.4181 -7.4181 -7.3854 -7.3843 -7.3802 -7.3802 -7.0187 -7.0177 -7.0172 -7.0172 -5.4923 -5.4923 -4.9924 -4.9917 -4.9736 -4.9736 -4.9286 -4.9286 -3.7086 -3.7075 -3.7075 -3.7029 -3.6610 -3.6610 -3.6257 -3.6257 -3.6211 -3.6197 -3.6191 -3.6191 -3.4936 -3.4895 -3.4895 -3.4873 -2.4697 -2.4697 -2.4408 -2.4408 -2.4374 -2.4373 4.6586 4.6586 4.7350 4.7350 4.7515 4.7528 4.8193 4.8193 5.3774 5.3774 5.3783 5.3787 k = 0.4773 0.4773 0.4773 ( 8384 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9656 -17.9656 -8.5132 -8.5131 -8.5127 -8.5127 -8.1905 -8.1905 -7.9430 -7.9430 -7.9421 -7.9419 -7.4917 -7.4917 -7.4302 -7.4302 -7.3853 -7.3846 -7.3833 -7.3833 -7.0182 -7.0175 -7.0174 -7.0174 -5.4681 -5.4681 -4.9945 -4.9940 -4.9824 -4.9824 -4.9475 -4.9475 -3.7051 -3.7039 -3.7039 -3.7012 -3.6561 -3.6561 -3.6261 -3.6261 -3.6204 -3.6194 -3.6193 -3.6193 -3.4909 -3.4883 -3.4883 -3.4866 -2.4718 -2.4718 -2.4419 -2.4419 -2.4403 -2.4403 4.6846 4.6846 4.7324 4.7324 4.7489 4.7498 4.7943 4.7943 5.3830 5.3830 5.3833 5.3836 k = 0.4886 0.4886 0.4886 ( 8408 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5132 -8.5132 -8.5130 -8.5130 -8.1900 -8.1900 -7.9423 -7.9423 -7.9421 -7.9420 -7.4824 -7.4824 -7.4411 -7.4411 -7.3852 -7.3849 -7.3847 -7.3847 -7.0179 -7.0176 -7.0176 -7.0175 -5.4523 -5.4523 -4.9957 -4.9955 -4.9920 -4.9920 -4.9560 -4.9560 -3.7026 -3.7018 -3.7018 -3.7007 -3.6530 -3.6530 -3.6265 -3.6265 -3.6198 -3.6194 -3.6194 -3.6193 -3.4888 -3.4876 -3.4876 -3.4867 -2.4731 -2.4731 -2.4425 -2.4425 -2.4421 -2.4421 4.7087 4.7087 4.7326 4.7326 4.7474 4.7478 4.7691 4.7691 5.3862 5.3862 5.3863 5.3864 k = 0.5000 0.5000 0.5000 ( 8480 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5133 -8.5133 -8.5133 -8.5133 -8.1899 -8.1899 -7.9422 -7.9422 -7.9422 -7.9422 -7.4778 -7.4778 -7.4464 -7.4464 -7.3853 -7.3853 -7.3853 -7.3853 -7.0179 -7.0179 -7.0179 -7.0179 -5.4467 -5.4467 -4.9961 -4.9961 -4.9961 -4.9961 -4.9583 -4.9583 -3.7012 -3.7012 -3.7012 -3.7012 -3.6519 -3.6519 -3.6268 -3.6268 -3.6195 -3.6195 -3.6195 -3.6195 -3.4875 -3.4875 -3.4875 -3.4875 -2.4736 -2.4736 -2.4428 -2.4428 -2.4428 -2.4428 4.7197 4.7197 4.7432 4.7432 4.7470 4.7470 4.7470 4.7470 5.3873 5.3873 5.3873 5.3873 k = 0.5000 0.5000 0.5000 ( 8480 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5133 -8.5133 -8.5133 -8.5133 -8.1899 -8.1899 -7.9422 -7.9422 -7.9422 -7.9422 -7.4778 -7.4778 -7.4464 -7.4464 -7.3853 -7.3853 -7.3853 -7.3853 -7.0179 -7.0179 -7.0179 -7.0179 -5.4467 -5.4467 -4.9961 -4.9961 -4.9961 -4.9961 -4.9583 -4.9583 -3.7012 -3.7012 -3.7012 -3.7012 -3.6519 -3.6519 -3.6268 -3.6268 -3.6195 -3.6195 -3.6195 -3.6195 -3.4875 -3.4875 -3.4875 -3.4875 -2.4736 -2.4736 -2.4428 -2.4428 -2.4428 -2.4428 4.7197 4.7197 4.7432 4.7432 4.7470 4.7470 4.7470 4.7470 5.3873 5.3873 5.3873 5.3873 k = 0.4861 0.5000 0.4861 ( 8416 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5132 -8.5132 -8.5130 -8.5130 -8.1900 -8.1900 -7.9424 -7.9424 -7.9420 -7.9419 -7.4824 -7.4823 -7.4412 -7.4412 -7.3853 -7.3850 -7.3849 -7.3846 -7.0179 -7.0177 -7.0176 -7.0176 -5.4523 -5.4522 -4.9957 -4.9955 -4.9921 -4.9920 -4.9561 -4.9559 -3.7027 -3.7020 -3.7016 -3.7006 -3.6531 -3.6529 -3.6266 -3.6265 -3.6198 -3.6195 -3.6195 -3.6193 -3.4888 -3.4879 -3.4874 -3.4867 -2.4731 -2.4731 -2.4426 -2.4426 -2.4421 -2.4420 4.7087 4.7089 4.7323 4.7327 4.7473 4.7477 4.7690 4.7692 5.3854 5.3855 5.3870 5.3871 k = 0.4722 0.5000 0.4722 ( 8388 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9668 -17.9657 -17.9657 -17.9656 -17.9656 -8.5132 -8.5131 -8.5127 -8.5127 -8.1905 -8.1904 -7.9435 -7.9433 -7.9417 -7.9416 -7.4921 -7.4913 -7.4303 -7.4301 -7.3852 -7.3846 -7.3840 -7.3828 -7.0182 -7.0176 -7.0176 -7.0174 -5.4681 -5.4680 -4.9944 -4.9939 -4.9830 -4.9819 -4.9482 -4.9471 -3.7056 -3.7040 -3.7038 -3.7010 -3.6567 -3.6555 -3.6264 -3.6258 -3.6205 -3.6196 -3.6191 -3.6191 -3.4908 -3.4888 -3.4879 -3.4866 -2.4719 -2.4718 -2.4423 -2.4421 -2.4400 -2.4399 4.6849 4.6855 4.7314 4.7322 4.7486 4.7494 4.7944 4.7949 5.3799 5.3801 5.3864 5.3866 k = 0.4583 0.5000 0.4583 ( 8384 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9668 -17.9657 -17.9657 -17.9656 -17.9656 -8.5131 -8.5130 -8.5123 -8.5122 -8.1915 -8.1911 -7.9455 -7.9448 -7.9413 -7.9412 -7.5031 -7.5008 -7.4190 -7.4171 -7.3849 -7.3843 -7.3829 -7.3785 -7.0187 -7.0177 -7.0174 -7.0170 -5.4924 -5.4920 -4.9922 -4.9913 -4.9748 -4.9720 -4.9305 -4.9280 -3.7101 -3.7083 -3.7065 -3.7021 -3.6624 -3.6593 -3.6265 -3.6251 -3.6214 -3.6199 -3.6191 -3.6183 -3.4936 -3.4901 -3.4891 -3.4870 -2.4702 -2.4697 -2.4416 -2.4412 -2.4367 -2.4364 4.6593 4.6602 4.7328 4.7341 4.7510 4.7523 4.8198 4.8206 5.3707 5.3709 5.3853 5.3857 k = 0.4444 0.5000 0.4444 ( 8368 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9668 -17.9658 -17.9657 -17.9655 -17.9655 -8.5130 -8.5129 -8.5116 -8.5116 -8.1929 -8.1921 -7.9483 -7.9467 -7.9407 -7.9406 -7.5143 -7.5098 -7.4103 -7.4037 -7.3838 -7.3838 -7.3814 -7.3698 -7.0193 -7.0180 -7.0172 -7.0165 -5.5229 -5.5220 -4.9891 -4.9879 -4.9689 -4.9645 -4.9027 -4.8992 -3.7160 -3.7146 -3.7102 -3.7040 -3.6697 -3.6642 -3.6269 -3.6251 -3.6224 -3.6201 -3.6190 -3.6166 -3.4971 -3.4917 -3.4910 -3.4877 -2.4684 -2.4673 -2.4405 -2.4397 -2.4319 -2.4314 4.6337 4.6349 4.7348 4.7366 4.7549 4.7567 4.8446 4.8458 5.3577 5.3579 5.3840 5.3845 k = 0.4306 0.5000 0.4306 ( 8378 PWs) bands (ev): -17.9843 -17.9843 -17.9670 -17.9668 -17.9659 -17.9658 -17.9655 -17.9654 -8.5130 -8.5128 -8.5108 -8.5108 -8.1948 -8.1933 -7.9521 -7.9489 -7.9402 -7.9397 -7.5253 -7.5179 -7.4051 -7.3931 -7.3834 -7.3802 -7.3790 -7.3561 -7.0200 -7.0185 -7.0169 -7.0158 -5.5576 -5.5561 -4.9852 -4.9836 -4.9637 -4.9581 -4.8684 -4.8643 -3.7235 -3.7229 -3.7153 -3.7069 -3.6780 -3.6701 -3.6276 -3.6262 -3.6232 -3.6203 -3.6188 -3.6143 -3.5012 -3.4936 -3.4936 -3.4888 -2.4669 -2.4650 -2.4387 -2.4373 -2.4259 -2.4251 4.6085 4.6100 4.7370 4.7391 4.7606 4.7627 4.8685 4.8702 5.3408 5.3411 5.3824 5.3832 k = 0.4167 0.5000 0.4167 ( 8374 PWs) bands (ev): -17.9843 -17.9843 -17.9671 -17.9669 -17.9660 -17.9658 -17.9654 -17.9653 -8.5129 -8.5127 -8.5098 -8.5098 -8.1971 -8.1945 -7.9567 -7.9513 -7.9396 -7.9384 -7.5362 -7.5251 -7.4025 -7.3892 -7.3830 -7.3779 -7.3677 -7.3389 -7.0209 -7.0190 -7.0165 -7.0148 -5.5951 -5.5929 -4.9806 -4.9785 -4.9583 -4.9514 -4.8302 -4.8258 -3.7328 -3.7326 -3.7218 -3.7110 -3.6869 -3.6774 -3.6287 -3.6281 -3.6237 -3.6206 -3.6178 -3.6113 -3.5060 -3.4969 -3.4957 -3.4901 -2.4660 -2.4632 -2.4358 -2.4338 -2.4187 -2.4174 4.5840 4.5858 4.7392 4.7415 4.7681 4.7703 4.8914 4.8935 5.3202 5.3204 5.3808 5.3819 k = 0.4028 0.5000 0.4028 ( 8364 PWs) bands (ev): -17.9843 -17.9843 -17.9672 -17.9669 -17.9661 -17.9657 -17.9652 -17.9652 -8.5128 -8.5126 -8.5087 -8.5087 -8.1999 -8.1959 -7.9621 -7.9539 -7.9389 -7.9369 -7.5467 -7.5313 -7.4010 -7.3881 -7.3824 -7.3757 -7.3528 -7.3194 -7.0217 -7.0195 -7.0159 -7.0136 -5.6343 -5.6312 -4.9754 -4.9727 -4.9522 -4.9441 -4.7898 -4.7851 -3.7440 -3.7432 -3.7300 -3.7164 -3.6958 -3.6858 -3.6304 -3.6300 -3.6242 -3.6211 -3.6158 -3.6077 -3.5113 -3.5008 -3.4979 -3.4917 -2.4660 -2.4624 -2.4317 -2.4292 -2.4102 -2.4084 4.5603 4.5624 4.7414 4.7436 4.7772 4.7795 4.9128 4.9155 5.2961 5.2962 5.3793 5.3807 k = 0.3889 0.5000 0.3889 ( 8360 PWs) bands (ev): -17.9843 -17.9843 -17.9674 -17.9669 -17.9662 -17.9657 -17.9651 -17.9650 -8.5127 -8.5124 -8.5075 -8.5075 -8.2031 -8.1973 -7.9681 -7.9565 -7.9381 -7.9350 -7.5570 -7.5367 -7.4002 -7.3877 -7.3819 -7.3734 -7.3371 -7.2987 -7.0227 -7.0202 -7.0152 -7.0119 -5.6744 -5.6703 -4.9696 -4.9663 -4.9454 -4.9360 -4.7481 -4.7433 -3.7563 -3.7554 -3.7401 -3.7237 -3.7042 -3.6949 -3.6331 -3.6316 -3.6248 -3.6216 -3.6128 -3.6034 -3.5172 -3.5054 -3.5003 -3.4934 -2.4670 -2.4627 -2.4263 -2.4235 -2.4008 -2.3983 4.5375 4.5400 4.7434 4.7456 4.7876 4.7899 4.9325 4.9359 5.2685 5.2687 5.3781 5.3798 k = 0.3750 0.5000 0.3750 ( 8364 PWs) bands (ev): -17.9844 -17.9844 -17.9676 -17.9670 -17.9662 -17.9656 -17.9649 -17.9649 -8.5126 -8.5123 -8.5062 -8.5062 -8.2066 -8.1988 -7.9748 -7.9592 -7.9372 -7.9327 -7.5671 -7.5413 -7.3997 -7.3875 -7.3813 -7.3709 -7.3211 -7.2771 -7.0238 -7.0210 -7.0144 -7.0099 -5.7148 -5.7096 -4.9634 -4.9596 -4.9376 -4.9270 -4.7059 -4.7011 -3.7695 -3.7691 -3.7517 -3.7334 -3.7122 -3.7041 -3.6361 -3.6336 -3.6254 -3.6221 -3.6088 -3.5986 -3.5235 -3.5106 -3.5028 -3.4953 -2.4688 -2.4641 -2.4199 -2.4171 -2.3905 -2.3874 4.5158 4.5187 4.7454 4.7473 4.7991 4.8012 4.9503 4.9544 5.2381 5.2384 5.3771 5.3793 k = 0.3611 0.5000 0.3611 ( 8364 PWs) bands (ev): -17.9845 -17.9844 -17.9679 -17.9672 -17.9662 -17.9655 -17.9648 -17.9647 -8.5125 -8.5121 -8.5049 -8.5048 -8.2105 -8.2002 -7.9819 -7.9618 -7.9363 -7.9300 -7.5769 -7.5453 -7.3993 -7.3873 -7.3807 -7.3682 -7.3052 -7.2549 -7.0250 -7.0218 -7.0134 -7.0073 -5.7551 -5.7487 -4.9566 -4.9524 -4.9290 -4.9172 -4.6638 -4.6590 -3.7842 -3.7831 -3.7644 -3.7457 -3.7197 -3.7127 -3.6394 -3.6358 -3.6262 -3.6226 -3.6040 -3.5931 -3.5303 -3.5162 -3.5055 -3.4974 -2.4714 -2.4665 -2.4127 -2.4099 -2.3795 -2.3758 4.4952 4.4985 4.7473 4.7489 4.8113 4.8132 4.9659 4.9707 5.2055 5.2062 5.3766 5.3793 k = 0.3472 0.5000 0.3472 ( 8366 PWs) bands (ev): -17.9846 -17.9845 -17.9681 -17.9675 -17.9661 -17.9654 -17.9645 -17.9645 -8.5123 -8.5120 -8.5034 -8.5034 -8.2146 -8.2016 -7.9894 -7.9645 -7.9353 -7.9269 -7.5864 -7.5487 -7.3991 -7.3872 -7.3802 -7.3655 -7.2896 -7.2326 -7.0261 -7.0228 -7.0121 -7.0040 -5.7949 -5.7873 -4.9495 -4.9449 -4.9194 -4.9067 -4.6223 -4.6177 -3.8005 -3.7970 -3.7778 -3.7603 -3.7270 -3.7207 -3.6429 -3.6383 -3.6270 -3.6231 -3.5985 -3.5871 -3.5373 -3.5223 -3.5082 -3.4995 -2.4748 -2.4697 -2.4049 -2.4022 -2.3680 -2.3638 4.4758 4.4795 4.7489 4.7503 4.8236 4.8251 4.9792 4.9848 5.1719 5.1730 5.3763 5.3795 k = 0.3333 0.5000 0.3333 ( 8376 PWs) bands (ev): -17.9847 -17.9847 -17.9684 -17.9677 -17.9660 -17.9653 -17.9643 -17.9642 -8.5122 -8.5118 -8.5020 -8.5019 -8.2189 -8.2029 -7.9972 -7.9671 -7.9343 -7.9234 -7.5957 -7.5516 -7.3989 -7.3872 -7.3796 -7.3627 -7.2745 -7.2104 -7.0273 -7.0237 -7.0104 -7.0001 -5.8340 -5.8250 -4.9420 -4.9373 -4.9092 -4.8955 -4.5819 -4.5775 -3.8177 -3.8110 -3.7913 -3.7766 -3.7341 -3.7282 -3.6468 -3.6410 -3.6279 -3.6236 -3.5925 -3.5806 -3.5445 -3.5287 -3.5111 -3.5017 -2.4790 -2.4738 -2.3967 -2.3940 -2.3563 -2.3515 4.4578 4.4619 4.7504 4.7513 4.8352 4.8361 4.9899 4.9964 5.1384 5.1401 5.3759 5.3794 k = 0.3194 0.5000 0.3194 ( 8386 PWs) bands (ev): -17.9849 -17.9848 -17.9687 -17.9680 -17.9658 -17.9651 -17.9641 -17.9640 -8.5120 -8.5116 -8.5006 -8.5005 -8.2233 -8.2040 -8.0051 -7.9697 -7.9331 -7.9196 -7.6048 -7.5542 -7.3988 -7.3871 -7.3791 -7.3599 -7.2601 -7.1887 -7.0285 -7.0247 -7.0082 -6.9953 -5.8721 -5.8615 -4.9342 -4.9293 -4.8983 -4.8838 -4.5430 -4.5389 -3.8354 -3.8249 -3.8046 -3.7937 -3.7410 -3.7355 -3.6508 -3.6440 -3.6290 -3.6242 -3.5863 -3.5738 -3.5515 -3.5354 -3.5141 -3.5038 -2.4838 -2.4786 -2.3881 -2.3856 -2.3445 -2.3392 4.4412 4.4457 4.7515 4.7519 4.8447 4.8447 4.9980 5.0055 5.1070 5.1093 5.3742 5.3782 k = 0.3056 0.5000 0.3056 ( 8382 PWs) bands (ev): -17.9851 -17.9850 -17.9690 -17.9683 -17.9656 -17.9649 -17.9638 -17.9637 -8.5119 -8.5113 -8.4992 -8.4990 -8.2277 -8.2050 -8.0130 -7.9724 -7.9319 -7.9152 -7.6135 -7.5564 -7.3987 -7.3870 -7.3785 -7.3570 -7.2467 -7.1677 -7.0296 -7.0256 -7.0053 -6.9896 -5.9089 -5.8968 -4.9262 -4.9213 -4.8868 -4.8716 -4.5061 -4.5024 -3.8533 -3.8385 -3.8174 -3.8111 -3.7477 -3.7426 -3.6550 -3.6472 -3.6302 -3.6248 -3.5809 -3.5669 -3.5573 -3.5420 -3.5173 -3.5058 -2.4891 -2.4840 -2.3792 -2.3768 -2.3328 -2.3270 4.4260 4.4309 4.7521 4.7523 4.8489 4.8500 5.0035 5.0120 5.0802 5.0834 5.3695 5.3739 k = 0.2917 0.5000 0.2917 ( 8386 PWs) bands (ev): -17.9853 -17.9852 -17.9693 -17.9686 -17.9654 -17.9647 -17.9636 -17.9635 -8.5116 -8.5111 -8.4978 -8.4977 -8.2319 -8.2058 -8.0209 -7.9750 -7.9306 -7.9106 -7.6220 -7.5585 -7.3986 -7.3870 -7.3779 -7.3542 -7.2343 -7.1480 -7.0305 -7.0266 -7.0015 -6.9830 -5.9443 -5.9305 -4.9179 -4.9130 -4.8751 -4.8592 -4.4717 -4.4684 -3.8709 -3.8516 -3.8295 -3.8281 -3.7543 -3.7495 -3.6594 -3.6506 -3.6316 -3.6255 -3.5795 -3.5612 -3.5588 -3.5477 -3.5205 -3.5075 -2.4951 -2.4901 -2.3702 -2.3680 -2.3214 -2.3152 4.4123 4.4176 4.7517 4.7526 4.8459 4.8483 5.0066 5.0161 5.0612 5.0653 5.3590 5.3641 k = 0.2778 0.5000 0.2778 ( 8394 PWs) bands (ev): -17.9856 -17.9855 -17.9697 -17.9689 -17.9652 -17.9644 -17.9633 -17.9632 -8.5114 -8.5108 -8.4966 -8.4964 -8.2361 -8.2064 -8.0287 -7.9776 -7.9293 -7.9058 -7.6301 -7.5603 -7.3986 -7.3870 -7.3773 -7.3515 -7.2231 -7.1301 -7.0314 -7.0276 -6.9965 -6.9756 -5.9780 -5.9625 -4.9096 -4.9047 -4.8633 -4.8467 -4.4402 -4.4375 -3.8875 -3.8640 -3.8441 -3.8407 -3.7606 -3.7562 -3.6639 -3.6542 -3.6333 -3.6264 -3.5838 -3.5610 -3.5545 -3.5484 -3.5237 -3.5085 -2.5016 -2.4968 -2.3612 -2.3591 -2.3105 -2.3040 4.4001 4.4058 4.7507 4.7525 4.8338 4.8372 5.0081 5.0177 5.0521 5.0574 5.3406 5.3468 k = 0.2639 0.5000 0.2639 ( 8402 PWs) bands (ev): -17.9859 -17.9858 -17.9700 -17.9693 -17.9649 -17.9641 -17.9630 -17.9629 -8.5112 -8.5105 -8.4955 -8.4952 -8.2400 -8.2069 -8.0362 -7.9803 -7.9278 -7.9007 -7.6379 -7.5621 -7.3986 -7.3870 -7.3768 -7.3489 -7.2131 -7.1146 -7.0320 -7.0286 -6.9900 -6.9673 -6.0099 -5.9926 -4.9011 -4.8962 -4.8516 -4.8344 -4.4123 -4.4100 -3.9028 -3.8755 -3.8584 -3.8506 -3.7666 -3.7626 -3.6685 -3.6581 -3.6353 -3.6275 -3.5905 -3.5665 -3.5476 -3.5445 -3.5267 -3.5081 -2.5085 -2.5038 -2.3522 -2.3501 -2.3001 -2.2933 4.3894 4.3956 4.7488 4.7517 4.8130 4.8171 5.0085 5.0172 5.0528 5.0597 5.3147 5.3223 k = 0.2500 0.5000 0.2500 ( 8404 PWs) bands (ev): -17.9862 -17.9861 -17.9703 -17.9696 -17.9645 -17.9638 -17.9627 -17.9626 -8.5109 -8.5102 -8.4944 -8.4942 -8.2436 -8.2072 -8.0433 -7.9831 -7.9263 -7.8954 -7.6452 -7.5639 -7.3985 -7.3870 -7.3763 -7.3465 -7.2043 -7.1018 -7.0324 -7.0295 -6.9817 -6.9583 -6.0398 -6.0206 -4.8926 -4.8878 -4.8401 -4.8223 -4.3883 -4.3866 -3.9161 -3.8859 -3.8706 -3.8590 -3.7723 -3.7687 -3.6731 -3.6621 -3.6377 -3.6292 -3.5977 -3.5731 -3.5416 -3.5414 -3.5280 -3.5056 -2.5156 -2.5112 -2.3433 -2.3412 -2.2905 -2.2835 4.3804 4.3868 4.7459 4.7501 4.7860 4.7906 5.0073 5.0150 5.0616 5.0697 5.2837 5.2928 k = 0.2361 0.5000 0.2361 ( 8392 PWs) bands (ev): -17.9865 -17.9864 -17.9706 -17.9699 -17.9642 -17.9635 -17.9625 -17.9623 -8.5106 -8.5099 -8.4935 -8.4933 -8.2468 -8.2073 -8.0501 -7.9859 -7.9246 -7.8900 -7.6520 -7.5656 -7.3985 -7.3870 -7.3757 -7.3444 -7.1966 -7.0919 -7.0326 -7.0304 -6.9717 -6.9489 -6.0674 -6.0465 -4.8841 -4.8794 -4.8292 -4.8108 -4.3686 -4.3676 -3.9272 -3.8950 -3.8800 -3.8656 -3.7776 -3.7744 -3.6778 -3.6662 -3.6406 -3.6316 -3.6043 -3.5795 -3.5408 -3.5403 -3.5240 -3.5006 -2.5229 -2.5188 -2.3345 -2.3325 -2.2816 -2.2745 4.3729 4.3797 4.7397 4.7459 4.7572 4.7627 5.0046 5.0115 5.0761 5.0850 5.2504 5.2608 k = 0.2222 0.5000 0.2222 ( 8384 PWs) bands (ev): -17.9868 -17.9867 -17.9709 -17.9703 -17.9638 -17.9632 -17.9622 -17.9621 -8.5103 -8.5095 -8.4928 -8.4926 -8.2495 -8.2072 -8.0563 -7.9888 -7.9228 -7.8847 -7.6583 -7.5673 -7.3984 -7.3870 -7.3752 -7.3426 -7.1899 -7.0849 -7.0325 -7.0312 -6.9604 -6.9393 -6.0927 -6.0700 -4.8757 -4.8711 -4.8190 -4.8001 -4.3536 -4.3531 -3.9358 -3.9028 -3.8862 -3.8702 -3.7824 -3.7797 -3.6824 -3.6704 -3.6442 -3.6354 -3.6099 -3.5856 -3.5432 -3.5421 -3.5161 -3.4937 -2.5302 -2.5263 -2.3259 -2.3239 -2.2736 -2.2664 4.3669 4.3740 4.7197 4.7203 4.7462 4.7473 5.0006 5.0068 5.0944 5.1036 5.2164 5.2279 k = 0.2083 0.5000 0.2083 ( 8380 PWs) bands (ev): -17.9872 -17.9871 -17.9712 -17.9706 -17.9634 -17.9628 -17.9619 -17.9618 -8.5100 -8.5091 -8.4923 -8.4920 -8.2519 -8.2072 -8.0620 -7.9918 -7.9209 -7.8795 -7.6639 -7.5692 -7.3983 -7.3870 -7.3747 -7.3411 -7.1840 -7.0802 -7.0323 -7.0320 -6.9483 -6.9298 -6.1154 -6.0912 -4.8675 -4.8629 -4.8098 -4.7904 -4.3431 -4.3431 -3.9419 -3.9095 -3.8888 -3.8724 -3.7867 -3.7844 -3.6870 -3.6748 -3.6484 -3.6408 -3.6139 -3.5911 -3.5472 -3.5447 -3.5071 -3.4858 -2.5374 -2.5338 -2.3177 -2.3157 -2.2665 -2.2593 4.3625 4.3697 4.6875 4.6886 4.7395 4.7434 4.9956 5.0012 5.1149 5.1244 5.1829 5.1953 k = 0.1944 0.5000 0.1944 ( 8388 PWs) bands (ev): -17.9876 -17.9875 -17.9715 -17.9709 -17.9631 -17.9625 -17.9616 -17.9615 -8.5097 -8.5087 -8.4920 -8.4917 -8.2538 -8.2071 -8.0671 -7.9950 -7.9190 -7.8746 -7.6687 -7.5712 -7.3984 -7.3872 -7.3742 -7.3401 -7.1787 -7.0775 -7.0327 -7.0320 -6.9361 -6.9207 -6.1354 -6.1098 -4.8595 -4.8550 -4.8017 -4.7819 -4.3373 -4.3369 -3.9458 -3.9149 -3.8879 -3.8723 -3.7906 -3.7887 -3.6915 -3.6792 -3.6535 -3.6475 -3.6166 -3.5959 -3.5519 -3.5482 -3.4979 -3.4775 -2.5443 -2.5410 -2.3097 -2.3077 -2.2604 -2.2534 4.3595 4.3670 4.6548 4.6562 4.7338 4.7391 4.9899 4.9950 5.1366 5.1464 5.1504 5.1638 k = 0.1806 0.5000 0.1806 ( 8388 PWs) bands (ev): -17.9880 -17.9878 -17.9718 -17.9712 -17.9627 -17.9621 -17.9613 -17.9612 -8.5093 -8.5083 -8.4918 -8.4915 -8.2551 -8.2072 -8.0714 -7.9983 -7.9169 -7.8702 -7.6725 -7.5733 -7.3983 -7.3873 -7.3738 -7.3396 -7.1739 -7.0761 -7.0334 -7.0317 -6.9244 -6.9121 -6.1527 -6.1260 -4.8518 -4.8473 -4.7949 -4.7749 -4.3349 -4.3344 -3.9478 -3.9189 -3.8839 -3.8697 -3.7938 -3.7923 -3.6959 -3.6836 -3.6592 -3.6551 -3.6183 -3.6000 -3.5568 -3.5523 -3.4889 -3.4693 -2.5507 -2.5477 -2.3022 -2.3000 -2.2553 -2.2485 4.3580 4.3655 4.6229 4.6245 4.7278 4.7342 4.9838 4.9884 5.1193 5.1325 5.1602 5.1692 k = 0.1667 0.5000 0.1667 ( 8408 PWs) bands (ev): -17.9883 -17.9882 -17.9721 -17.9716 -17.9623 -17.9618 -17.9611 -17.9610 -8.5089 -8.5078 -8.4919 -8.4915 -8.2560 -8.2074 -8.0750 -8.0017 -7.9146 -7.8664 -7.6754 -7.5757 -7.3983 -7.3875 -7.3734 -7.3395 -7.1693 -7.0759 -7.0340 -7.0315 -6.9137 -6.9043 -6.1671 -6.1398 -4.8444 -4.8400 -4.7896 -4.7694 -4.3353 -4.3347 -3.9482 -3.9216 -3.8775 -3.8651 -3.7965 -3.7953 -3.7001 -3.6881 -3.6656 -3.6632 -3.6194 -3.6033 -3.5621 -3.5569 -3.4803 -3.4614 -2.5566 -2.5539 -2.2951 -2.2928 -2.2512 -2.2447 4.3579 4.3654 4.5925 4.5940 4.7212 4.7283 4.9775 4.9815 5.0900 5.1039 5.1829 5.1922 k = 0.1528 0.5000 0.1528 ( 8400 PWs) bands (ev): -17.9887 -17.9886 -17.9723 -17.9718 -17.9620 -17.9615 -17.9608 -17.9607 -8.5085 -8.5073 -8.4921 -8.4917 -8.2564 -8.2079 -8.0776 -8.0053 -7.9123 -7.8632 -7.6770 -7.5783 -7.3982 -7.3877 -7.3729 -7.3399 -7.1649 -7.0763 -7.0345 -7.0312 -6.9042 -6.8974 -6.1788 -6.1511 -4.8374 -4.8330 -4.7858 -4.7655 -4.3375 -4.3371 -3.9471 -3.9229 -3.8694 -3.8588 -3.7986 -3.7977 -3.7041 -3.6924 -3.6724 -3.6713 -3.6202 -3.6061 -3.5676 -3.5619 -3.4721 -3.4541 -2.5618 -2.5593 -2.2885 -2.2860 -2.2479 -2.2418 4.3590 4.3665 4.5638 4.5652 4.7140 4.7218 4.9711 4.9746 5.0628 5.0769 5.2058 5.2150 k = 0.1389 0.5000 0.1389 ( 8398 PWs) bands (ev): -17.9890 -17.9889 -17.9725 -17.9721 -17.9616 -17.9612 -17.9606 -17.9605 -8.5080 -8.5068 -8.4925 -8.4920 -8.2562 -8.2086 -8.0793 -8.0090 -7.9097 -7.8609 -7.6775 -7.5811 -7.3981 -7.3879 -7.3723 -7.3408 -7.1605 -7.0774 -7.0349 -7.0310 -6.8961 -6.8915 -6.1877 -6.1603 -4.8310 -4.8266 -4.7834 -4.7634 -4.3409 -4.3407 -3.9449 -3.9228 -3.8603 -3.8513 -3.8001 -3.7994 -3.7078 -3.6967 -3.6795 -3.6794 -3.6208 -3.6083 -3.5732 -3.5673 -3.4645 -3.4474 -2.5662 -2.5640 -2.2824 -2.2796 -2.2455 -2.2400 4.3613 4.3686 4.5370 4.5384 4.7063 4.7144 4.9648 4.9678 5.0379 5.0519 5.2282 5.2373 k = 0.1250 0.5000 0.1250 ( 8392 PWs) bands (ev): -17.9893 -17.9892 -17.9727 -17.9724 -17.9613 -17.9609 -17.9604 -17.9602 -8.5074 -8.5062 -8.4930 -8.4924 -8.2556 -8.2098 -8.0800 -8.0129 -7.9071 -7.8594 -7.6767 -7.5843 -7.3979 -7.3882 -7.3718 -7.3422 -7.1560 -7.0790 -7.0353 -7.0309 -6.8895 -6.8866 -6.1941 -6.1675 -4.8250 -4.8207 -4.7823 -4.7627 -4.3449 -4.3448 -3.9416 -3.9214 -3.8508 -3.8432 -3.8010 -3.8005 -3.7112 -3.7008 -3.6874 -3.6868 -3.6212 -3.6101 -3.5790 -3.5730 -3.4576 -3.4417 -2.5698 -2.5678 -2.2768 -2.2738 -2.2439 -2.2391 4.3646 4.3717 4.5123 4.5136 4.6982 4.7064 4.9588 4.9613 5.0154 5.0291 5.2499 5.2588 k = 0.1111 0.5000 0.1111 ( 8416 PWs) bands (ev): -17.9896 -17.9896 -17.9730 -17.9726 -17.9610 -17.9606 -17.9602 -17.9600 -8.5069 -8.5057 -8.4937 -8.4930 -8.2546 -8.2114 -8.0799 -8.0170 -7.9043 -7.8590 -7.6747 -7.5879 -7.3977 -7.3886 -7.3713 -7.3440 -7.1514 -7.0811 -7.0356 -7.0310 -6.8844 -6.8828 -6.1983 -6.1730 -4.8197 -4.8154 -4.7824 -4.7636 -4.3492 -4.3489 -3.9375 -3.9191 -3.8414 -3.8351 -3.8013 -3.8009 -3.7144 -3.7047 -3.6951 -3.6941 -3.6215 -3.6116 -3.5848 -3.5789 -3.4515 -3.4368 -2.5725 -2.5707 -2.2719 -2.2685 -2.2428 -2.2389 4.3688 4.3756 4.4899 4.4912 4.6897 4.6977 4.9531 4.9552 4.9954 5.0085 5.2705 5.2790 k = 0.0972 0.5000 0.0972 ( 8412 PWs) bands (ev): -17.9899 -17.9898 -17.9731 -17.9728 -17.9607 -17.9604 -17.9600 -17.9598 -8.5063 -8.5050 -8.4944 -8.4937 -8.2531 -8.2133 -8.0788 -8.0212 -7.9014 -7.8593 -7.6716 -7.5918 -7.3974 -7.3890 -7.3707 -7.3461 -7.1466 -7.0835 -7.0357 -7.0311 -6.8805 -6.8797 -6.2005 -6.1770 -4.8151 -4.8109 -4.7831 -4.7654 -4.3532 -4.3527 -3.9325 -3.9159 -3.8325 -3.8273 -3.8011 -3.8007 -3.7171 -3.7084 -3.7024 -3.7012 -3.6218 -3.6128 -3.5905 -3.5849 -3.4462 -3.4329 -2.5745 -2.5728 -2.2675 -2.2638 -2.2423 -2.2393 4.3737 4.3801 4.4699 4.4711 4.6810 4.6886 4.9478 4.9495 4.9780 4.9902 5.2898 5.2978 k = 0.0833 0.5000 0.0833 ( 8422 PWs) bands (ev): -17.9902 -17.9901 -17.9733 -17.9730 -17.9605 -17.9602 -17.9598 -17.9597 -8.5057 -8.5044 -8.4953 -8.4944 -8.2512 -8.2157 -8.0769 -8.0257 -7.8984 -7.8605 -7.6674 -7.5962 -7.3970 -7.3894 -7.3699 -7.3484 -7.1417 -7.0864 -7.0358 -7.0314 -6.8777 -6.8775 -6.2011 -6.1799 -4.8113 -4.8074 -4.7841 -4.7680 -4.3568 -4.3561 -3.9270 -3.9123 -3.8245 -3.8201 -3.8003 -3.7998 -3.7195 -3.7119 -3.7091 -3.7080 -3.6220 -3.6137 -3.5959 -3.5910 -3.4416 -3.4299 -2.5757 -2.5742 -2.2639 -2.2597 -2.2420 -2.2403 4.3790 4.3848 4.4524 4.4536 4.6725 4.6794 4.9430 4.9444 4.9632 4.9742 5.3074 5.3147 k = 0.0694 0.5000 0.0694 ( 8418 PWs) bands (ev): -17.9904 -17.9903 -17.9734 -17.9732 -17.9603 -17.9600 -17.9596 -17.9595 -8.5050 -8.5037 -8.4962 -8.4952 -8.2490 -8.2183 -8.0743 -8.0302 -7.8951 -7.8624 -7.6623 -7.6009 -7.3965 -7.3899 -7.3691 -7.3509 -7.1366 -7.0896 -7.0357 -7.0318 -6.8759 -6.8758 -6.2004 -6.1821 -4.8082 -4.8049 -4.7849 -4.7710 -4.3598 -4.3591 -3.9212 -3.9085 -3.8176 -3.8140 -3.7990 -3.7985 -3.7214 -3.7158 -3.7144 -3.7143 -3.6222 -3.6145 -3.6009 -3.5969 -3.4377 -3.4277 -2.5763 -2.5750 -2.2609 -2.2562 -2.2420 -2.2415 4.3844 4.3897 4.4374 4.4386 4.6644 4.6704 4.9388 4.9400 4.9511 4.9607 5.3231 5.3296 k = 0.0556 0.5000 0.0556 ( 8436 PWs) bands (ev): -17.9905 -17.9905 -17.9735 -17.9733 -17.9601 -17.9599 -17.9595 -17.9594 -8.5043 -8.5030 -8.4972 -8.4961 -8.2465 -8.2213 -8.0711 -8.0349 -7.8919 -7.8648 -7.6566 -7.6062 -7.3960 -7.3905 -7.3682 -7.3534 -7.1314 -7.0932 -7.0356 -7.0322 -6.8749 -6.8747 -6.1989 -6.1837 -4.8061 -4.8037 -4.7851 -4.7739 -4.3622 -4.3615 -3.9154 -3.9049 -3.8120 -3.8091 -3.7973 -3.7967 -3.7230 -3.7210 -3.7198 -3.7174 -3.6222 -3.6151 -3.6052 -3.6026 -3.4344 -3.4263 -2.5765 -2.5754 -2.2585 -2.2535 -2.2427 -2.2420 4.3896 4.3943 4.4251 4.4263 4.6570 4.6620 4.9353 4.9361 4.9416 4.9495 5.3366 5.3420 k = 0.0417 0.5000 0.0417 ( 8428 PWs) bands (ev): -17.9907 -17.9906 -17.9736 -17.9735 -17.9599 -17.9598 -17.9593 -17.9593 -8.5035 -8.5022 -8.4981 -8.4970 -8.2438 -8.2244 -8.0673 -8.0396 -7.8884 -7.8677 -7.6504 -7.6118 -7.3953 -7.3911 -7.3670 -7.3559 -7.1261 -7.0971 -7.0354 -7.0327 -6.8742 -6.8740 -6.1969 -6.1852 -4.8048 -4.8034 -4.7846 -4.7764 -4.3639 -4.3634 -3.9101 -3.9020 -3.8078 -3.8055 -3.7952 -3.7947 -3.7255 -3.7249 -3.7237 -3.7198 -3.6221 -3.6154 -3.6087 -3.6077 -3.4317 -3.4255 -2.5764 -2.5756 -2.2566 -2.2518 -2.2436 -2.2421 4.3943 4.3983 4.4155 4.4168 4.6508 4.6546 4.9323 4.9325 4.9351 4.9408 5.3476 5.3519 k = 0.0278 0.5000 0.0278 ( 8420 PWs) bands (ev): -17.9908 -17.9907 -17.9736 -17.9735 -17.9598 -17.9597 -17.9593 -17.9592 -8.5027 -8.5013 -8.4990 -8.4979 -8.2407 -8.2277 -8.0631 -8.0444 -7.8849 -7.8708 -7.6439 -7.6177 -7.3946 -7.3917 -7.3657 -7.3582 -7.1209 -7.1013 -7.0351 -7.0332 -6.8738 -6.8736 -6.1946 -6.1867 -4.8043 -4.8037 -4.7836 -4.7784 -4.3651 -4.3647 -3.9056 -3.9000 -3.8048 -3.8033 -3.7933 -3.7929 -3.7289 -3.7284 -3.7244 -3.7217 -3.6217 -3.6157 -3.6120 -3.6114 -3.4296 -3.4254 -2.5761 -2.5755 -2.2551 -2.2513 -2.2438 -2.2422 4.3980 4.4013 4.4086 4.4101 4.6462 4.6488 4.9287 4.9297 4.9321 4.9347 5.3559 5.3588 k = 0.0139 0.5000 0.0139 ( 8422 PWs) bands (ev): -17.9908 -17.9908 -17.9737 -17.9736 -17.9598 -17.9597 -17.9592 -17.9592 -8.5018 -8.5005 -8.5000 -8.4988 -8.2376 -8.2310 -8.0587 -8.0493 -7.8813 -7.8742 -7.6372 -7.6240 -7.3939 -7.3924 -7.3641 -7.3604 -7.1157 -7.1059 -7.0347 -7.0337 -6.8736 -6.8735 -6.1923 -6.1883 -4.8041 -4.8040 -4.7825 -4.7800 -4.3658 -4.3656 -3.9021 -3.8993 -3.8029 -3.8022 -3.7919 -3.7917 -3.7310 -3.7307 -3.7245 -3.7231 -3.6207 -3.6168 -3.6143 -3.6132 -3.4279 -3.4258 -2.5758 -2.5756 -2.2539 -2.2518 -2.2434 -2.2425 4.4002 4.4025 4.4051 4.4064 4.6436 4.6448 4.9263 4.9274 4.9307 4.9315 5.3612 5.3627 k = 0.0000 0.5000-0.0000 ( 8410 PWs) bands (ev): -17.9908 -17.9908 -17.9736 -17.9736 -17.9597 -17.9597 -17.9592 -17.9592 -8.5009 -8.5009 -8.4996 -8.4996 -8.2343 -8.2343 -8.0540 -8.0540 -7.8777 -7.8777 -7.6305 -7.6305 -7.3931 -7.3931 -7.3624 -7.3624 -7.1106 -7.1106 -7.0342 -7.0342 -6.8734 -6.8734 -6.1902 -6.1902 -4.8041 -4.8041 -4.7813 -4.7813 -4.3659 -4.3659 -3.9000 -3.9000 -3.8020 -3.8020 -3.7913 -3.7913 -3.7316 -3.7316 -3.7240 -3.7240 -3.6190 -3.6190 -3.6142 -3.6142 -3.4266 -3.4266 -2.5756 -2.5756 -2.2527 -2.2527 -2.2429 -2.2429 4.4013 4.4013 4.4051 4.4051 4.6431 4.6431 4.9260 4.9260 4.9304 4.9304 5.3635 5.3635 k = 0.5000 0.5000-0.0000 ( 8396 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4991 -8.4991 -8.4980 -8.4980 -8.2316 -8.2316 -8.0514 -8.0514 -7.8801 -7.8801 -7.6315 -7.6315 -7.3854 -7.3854 -7.3653 -7.3653 -7.1077 -7.1077 -7.0368 -7.0368 -6.8849 -6.8849 -6.2208 -6.2208 -4.7958 -4.7958 -4.7760 -4.7760 -4.2123 -4.2123 -4.0404 -4.0404 -4.0230 -4.0230 -3.7887 -3.7887 -3.6322 -3.6322 -3.6305 -3.6305 -3.5641 -3.5641 -3.5527 -3.5527 -3.4934 -3.4934 -2.5913 -2.5913 -2.2687 -2.2687 -2.2609 -2.2609 4.4318 4.4318 4.7869 4.7869 4.7950 4.7950 4.8359 4.8359 5.3137 5.3137 5.3675 5.3675 k = 0.5000 0.5000 0.0200 ( 8388 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4992 -8.4992 -8.4981 -8.4981 -8.2315 -8.2315 -8.0510 -8.0510 -7.8804 -7.8804 -7.6311 -7.6311 -7.3855 -7.3855 -7.3653 -7.3653 -7.1082 -7.1082 -7.0367 -7.0367 -6.8867 -6.8867 -6.2178 -6.2178 -4.7969 -4.7969 -4.7771 -4.7771 -4.2156 -4.2156 -4.0388 -4.0388 -4.0215 -4.0215 -3.7868 -3.7868 -3.6322 -3.6322 -3.6304 -3.6304 -3.5651 -3.5651 -3.5517 -3.5517 -3.4937 -3.4937 -2.5907 -2.5907 -2.2694 -2.2694 -2.2615 -2.2615 4.4319 4.4319 4.7872 4.7872 4.7946 4.7946 4.8370 4.8370 5.3125 5.3125 5.3694 5.3694 k = 0.5000 0.5000 0.0400 ( 8396 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4994 -8.4994 -8.4983 -8.4983 -8.2310 -8.2310 -8.0499 -8.0499 -7.8812 -7.8812 -7.6301 -7.6301 -7.3856 -7.3856 -7.3655 -7.3655 -7.1097 -7.1097 -7.0365 -7.0365 -6.8920 -6.8920 -6.2087 -6.2087 -4.8000 -4.8000 -4.7802 -4.7802 -4.2251 -4.2251 -4.0342 -4.0342 -4.0169 -4.0169 -3.7814 -3.7814 -3.6323 -3.6323 -3.6302 -3.6302 -3.5676 -3.5676 -3.5496 -3.5496 -3.4948 -3.4948 -2.5888 -2.5888 -2.2715 -2.2715 -2.2633 -2.2633 4.4324 4.4324 4.7880 4.7880 4.7935 4.7935 4.8403 4.8403 5.3088 5.3088 5.3752 5.3752 k = 0.5000 0.5000 0.0600 ( 8404 PWs) bands (ev): -17.9839 -17.9839 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.4997 -8.4997 -8.4986 -8.4986 -8.2303 -8.2303 -8.0481 -8.0481 -7.8825 -7.8825 -7.6284 -7.6284 -7.3858 -7.3858 -7.3658 -7.3658 -7.1122 -7.1122 -7.0361 -7.0361 -6.9004 -6.9004 -6.1941 -6.1941 -4.8051 -4.8051 -4.7853 -4.7853 -4.2405 -4.2405 -4.0267 -4.0267 -4.0093 -4.0093 -3.7730 -3.7730 -3.6324 -3.6324 -3.6299 -3.6299 -3.5707 -3.5707 -3.5472 -3.5472 -3.4963 -3.4963 -2.5857 -2.5857 -2.2749 -2.2749 -2.2662 -2.2662 4.4332 4.4332 4.7884 4.7884 4.7921 4.7921 4.8465 4.8465 5.3027 5.3027 5.3847 5.3847 k = 0.5000 0.5000 0.0800 ( 8400 PWs) bands (ev): -17.9840 -17.9840 -17.9671 -17.9671 -17.9661 -17.9661 -17.9659 -17.9659 -8.5001 -8.5001 -8.4991 -8.4991 -8.2293 -8.2293 -8.0456 -8.0456 -7.8843 -7.8843 -7.6260 -7.6260 -7.3860 -7.3860 -7.3663 -7.3663 -7.1159 -7.1159 -7.0356 -7.0356 -6.9111 -6.9111 -6.1743 -6.1743 -4.8119 -4.8119 -4.7921 -4.7921 -4.2610 -4.2610 -4.0164 -4.0164 -3.9989 -3.9989 -3.7623 -3.7623 -3.6324 -3.6324 -3.6294 -3.6294 -3.5741 -3.5741 -3.5448 -3.5448 -3.4983 -3.4983 -2.5815 -2.5815 -2.2795 -2.2795 -2.2704 -2.2704 4.4345 4.4345 4.7871 4.7871 4.7910 4.7910 4.8560 4.8560 5.2943 5.2943 5.3979 5.3979 k = 0.5000 0.5000 0.1000 ( 8400 PWs) bands (ev): -17.9840 -17.9840 -17.9671 -17.9671 -17.9661 -17.9661 -17.9658 -17.9658 -8.5006 -8.5006 -8.4996 -8.4996 -8.2279 -8.2279 -8.0425 -8.0425 -7.8865 -7.8865 -7.6230 -7.6230 -7.3863 -7.3863 -7.3668 -7.3668 -7.1210 -7.1210 -7.0349 -7.0349 -6.9234 -6.9234 -6.1501 -6.1501 -4.8204 -4.8204 -4.8005 -4.8005 -4.2858 -4.2858 -4.0037 -4.0037 -3.9860 -3.9860 -3.7500 -3.7500 -3.6325 -3.6325 -3.6289 -3.6289 -3.5776 -3.5776 -3.5427 -3.5427 -3.5005 -3.5005 -2.5762 -2.5762 -2.2854 -2.2854 -2.2756 -2.2756 4.4365 4.4365 4.7843 4.7843 4.7900 4.7900 4.8690 4.8690 5.2837 5.2837 5.4147 5.4147 k = 0.5000 0.5000 0.1200 ( 8392 PWs) bands (ev): -17.9840 -17.9840 -17.9671 -17.9671 -17.9660 -17.9660 -17.9658 -17.9658 -8.5012 -8.5012 -8.5002 -8.5002 -8.2263 -8.2263 -8.0386 -8.0386 -7.8891 -7.8891 -7.6194 -7.6194 -7.3867 -7.3867 -7.3674 -7.3674 -7.1278 -7.1278 -7.0341 -7.0341 -6.9365 -6.9365 -6.1219 -6.1219 -4.8301 -4.8301 -4.8102 -4.8102 -4.3143 -4.3143 -3.9888 -3.9888 -3.9709 -3.9709 -3.7371 -3.7371 -3.6326 -3.6326 -3.6282 -3.6282 -3.5811 -3.5811 -3.5412 -3.5412 -3.5024 -3.5024 -2.5700 -2.5700 -2.2924 -2.2924 -2.2819 -2.2819 4.4393 4.4393 4.7807 4.7807 4.7883 4.7883 4.8850 4.8850 5.2712 5.2712 5.4349 5.4349 k = 0.5000 0.5000 0.1400 ( 8384 PWs) bands (ev): -17.9840 -17.9840 -17.9670 -17.9670 -17.9660 -17.9660 -17.9658 -17.9658 -8.5019 -8.5019 -8.5009 -8.5009 -8.2245 -8.2245 -8.0342 -8.0342 -7.8921 -7.8921 -7.6153 -7.6153 -7.3870 -7.3870 -7.3682 -7.3682 -7.1365 -7.1365 -7.0332 -7.0332 -6.9495 -6.9495 -6.0905 -6.0905 -4.8409 -4.8409 -4.8209 -4.8209 -4.3458 -4.3458 -3.9720 -3.9720 -3.9539 -3.9539 -3.7240 -3.7240 -3.6327 -3.6327 -3.6274 -3.6274 -3.5845 -3.5845 -3.5403 -3.5403 -3.5039 -3.5039 -2.5630 -2.5630 -2.3005 -2.3005 -2.2892 -2.2892 4.4430 4.4430 4.7768 4.7768 4.7860 4.7860 4.9037 4.9037 5.2569 5.2569 5.4583 5.4583 k = 0.5000 0.5000 0.1600 ( 8360 PWs) bands (ev): -17.9840 -17.9840 -17.9670 -17.9670 -17.9660 -17.9660 -17.9658 -17.9658 -8.5025 -8.5025 -8.5016 -8.5016 -8.2224 -8.2224 -8.0292 -8.0292 -7.8953 -7.8953 -7.6106 -7.6106 -7.3874 -7.3874 -7.3691 -7.3691 -7.1472 -7.1472 -7.0322 -7.0322 -6.9617 -6.9617 -6.0563 -6.0563 -4.8526 -4.8526 -4.8323 -4.8323 -4.3799 -4.3799 -3.9536 -3.9536 -3.9353 -3.9353 -3.7115 -3.7115 -3.6327 -3.6327 -3.6264 -3.6264 -3.5879 -3.5879 -3.5400 -3.5400 -3.5047 -3.5047 -2.5554 -2.5554 -2.3095 -2.3095 -2.2975 -2.2975 4.4479 4.4479 4.7727 4.7727 4.7833 4.7833 4.9244 4.9244 5.2414 5.2414 5.4848 5.4848 k = 0.5000 0.5000 0.1800 ( 8376 PWs) bands (ev): -17.9840 -17.9840 -17.9670 -17.9670 -17.9660 -17.9660 -17.9658 -17.9658 -8.5034 -8.5034 -8.5025 -8.5025 -8.2202 -8.2202 -8.0238 -8.0238 -7.8988 -7.8988 -7.6056 -7.6056 -7.3879 -7.3879 -7.3701 -7.3701 -7.1602 -7.1602 -7.0312 -7.0312 -6.9726 -6.9726 -6.0198 -6.0198 -4.8648 -4.8648 -4.8442 -4.8442 -4.4161 -4.4161 -3.9341 -3.9341 -3.9155 -3.9155 -3.7000 -3.7000 -3.6328 -3.6328 -3.6253 -3.6253 -3.5912 -3.5912 -3.5401 -3.5401 -3.5048 -3.5048 -2.5474 -2.5474 -2.3194 -2.3194 -2.3067 -2.3067 4.4539 4.4539 4.7684 4.7684 4.7802 4.7802 4.9463 4.9463 5.2252 5.2252 5.5141 5.5141 k = 0.5000 0.5000 0.2000 ( 8392 PWs) bands (ev): -17.9840 -17.9840 -17.9670 -17.9670 -17.9660 -17.9660 -17.9658 -17.9658 -8.5043 -8.5043 -8.5035 -8.5035 -8.2179 -8.2179 -8.0179 -8.0179 -7.9025 -7.9025 -7.6001 -7.6001 -7.3884 -7.3884 -7.3712 -7.3712 -7.1753 -7.1753 -7.0301 -7.0301 -6.9821 -6.9821 -5.9814 -5.9814 -4.8773 -4.8773 -4.8565 -4.8565 -4.4541 -4.4541 -3.9138 -3.9138 -3.8948 -3.8948 -3.6901 -3.6901 -3.6329 -3.6329 -3.6240 -3.6240 -3.5944 -3.5944 -3.5402 -3.5402 -3.5041 -3.5041 -2.5390 -2.5390 -2.3300 -2.3300 -2.3165 -2.3165 4.4613 4.4613 4.7641 4.7641 4.7769 4.7769 4.9683 4.9683 5.2091 5.2091 5.5118 5.5118 k = 0.5000 0.5000 0.2200 ( 8400 PWs) bands (ev): -17.9841 -17.9841 -17.9670 -17.9670 -17.9660 -17.9660 -17.9658 -17.9658 -8.5052 -8.5052 -8.5044 -8.5044 -8.2154 -8.2154 -8.0117 -8.0117 -7.9063 -7.9063 -7.5942 -7.5942 -7.3890 -7.3890 -7.3723 -7.3723 -7.1922 -7.1922 -7.0290 -7.0290 -6.9900 -6.9900 -5.9413 -5.9413 -4.8899 -4.8899 -4.8688 -4.8688 -4.4936 -4.4936 -3.8928 -3.8928 -3.8735 -3.8735 -3.6820 -3.6820 -3.6330 -3.6330 -3.6227 -3.6227 -3.5975 -3.5975 -3.5397 -3.5397 -3.5029 -3.5029 -2.5305 -2.5305 -2.3412 -2.3412 -2.3271 -2.3271 4.4701 4.4701 4.7600 4.7600 4.7735 4.7735 4.9888 4.9888 5.1947 5.1947 5.4973 5.4973 k = 0.5000 0.5000 0.2400 ( 8408 PWs) bands (ev): -17.9841 -17.9841 -17.9670 -17.9670 -17.9659 -17.9659 -17.9658 -17.9658 -8.5061 -8.5061 -8.5053 -8.5053 -8.2129 -8.2129 -8.0051 -8.0051 -7.9101 -7.9101 -7.5879 -7.5879 -7.3895 -7.3895 -7.3735 -7.3735 -7.2106 -7.2106 -7.0279 -7.0279 -6.9963 -6.9963 -5.9001 -5.9001 -4.9024 -4.9024 -4.8809 -4.8809 -4.5343 -4.5343 -3.8716 -3.8716 -3.8520 -3.8520 -3.6760 -3.6760 -3.6330 -3.6330 -3.6214 -3.6214 -3.6005 -3.6005 -3.5383 -3.5383 -3.5014 -3.5014 -2.5219 -2.5219 -2.3528 -2.3528 -2.3381 -2.3381 4.4803 4.4803 4.7559 4.7559 4.7702 4.7702 5.0050 5.0050 5.1845 5.1845 5.4834 5.4834 k = 0.5000 0.5000 0.2600 ( 8392 PWs) bands (ev): -17.9841 -17.9841 -17.9669 -17.9669 -17.9659 -17.9659 -17.9657 -17.9657 -8.5069 -8.5069 -8.5063 -8.5063 -8.2103 -8.2103 -7.9984 -7.9984 -7.9139 -7.9139 -7.5812 -7.5812 -7.3901 -7.3901 -7.3747 -7.3747 -7.2301 -7.2301 -7.0266 -7.0266 -7.0014 -7.0014 -5.8578 -5.8578 -4.9146 -4.9146 -4.8927 -4.8927 -4.5759 -4.5759 -3.8505 -3.8505 -3.8306 -3.8306 -3.6719 -3.6719 -3.6328 -3.6328 -3.6203 -3.6203 -3.6033 -3.6033 -3.5357 -3.5357 -3.4997 -3.4997 -2.5135 -2.5135 -2.3647 -2.3647 -2.3493 -2.3493 4.4920 4.4920 4.7521 4.7521 4.7670 4.7670 5.0137 5.0137 5.1816 5.1816 5.4701 5.4701 k = 0.5000 0.5000 0.2800 ( 8376 PWs) bands (ev): -17.9841 -17.9841 -17.9669 -17.9669 -17.9659 -17.9659 -17.9657 -17.9657 -8.5077 -8.5077 -8.5072 -8.5072 -8.2076 -8.2076 -7.9915 -7.9915 -7.9176 -7.9176 -7.5741 -7.5741 -7.3907 -7.3907 -7.3758 -7.3758 -7.2502 -7.2502 -7.0254 -7.0254 -7.0053 -7.0053 -5.8149 -5.8149 -4.9263 -4.9263 -4.9041 -4.9041 -4.6183 -4.6183 -3.8298 -3.8298 -3.8096 -3.8096 -3.6696 -3.6696 -3.6325 -3.6325 -3.6195 -3.6195 -3.6059 -3.6059 -3.5318 -3.5318 -3.4979 -3.4979 -2.5054 -2.5054 -2.3766 -2.3766 -2.3608 -2.3608 4.5052 4.5052 4.7486 4.7486 4.7640 4.7640 5.0120 5.0120 5.1887 5.1887 5.4575 5.4575 k = 0.5000 0.5000 0.3000 ( 8352 PWs) bands (ev): -17.9841 -17.9841 -17.9669 -17.9669 -17.9658 -17.9658 -17.9657 -17.9657 -8.5085 -8.5085 -8.5080 -8.5080 -8.2050 -8.2050 -7.9846 -7.9846 -7.9212 -7.9212 -7.5666 -7.5666 -7.3913 -7.3913 -7.3770 -7.3770 -7.2707 -7.2707 -7.0242 -7.0242 -7.0084 -7.0084 -5.7715 -5.7715 -4.9375 -4.9375 -4.9149 -4.9149 -4.6610 -4.6610 -3.8097 -3.8097 -3.7893 -3.7893 -3.6687 -3.6687 -3.6320 -3.6320 -3.6191 -3.6191 -3.6084 -3.6084 -3.5270 -3.5270 -3.4960 -3.4960 -2.4976 -2.4976 -2.3883 -2.3883 -2.3722 -2.3722 4.5199 4.5199 4.7453 4.7453 4.7612 4.7612 5.0007 5.0007 5.2046 5.2046 5.4458 5.4458 k = 0.5000 0.5000 0.3200 ( 8376 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9658 -17.9658 -17.9657 -17.9657 -8.5093 -8.5093 -8.5089 -8.5089 -8.2025 -8.2025 -7.9779 -7.9779 -7.9248 -7.9248 -7.5588 -7.5588 -7.3921 -7.3921 -7.3783 -7.3783 -7.2911 -7.2911 -7.0232 -7.0232 -7.0109 -7.0109 -5.7280 -5.7280 -4.9479 -4.9479 -4.9250 -4.9250 -4.7039 -4.7039 -3.7906 -3.7906 -3.7702 -3.7702 -3.6688 -3.6688 -3.6313 -3.6313 -3.6190 -3.6190 -3.6106 -3.6106 -3.5216 -3.5216 -3.4944 -3.4944 -2.4905 -2.4905 -2.3997 -2.3997 -2.3835 -2.3835 4.5361 4.5361 4.7423 4.7423 4.7585 4.7585 4.9825 4.9825 5.2265 5.2265 5.4351 5.4351 k = 0.5000 0.5000 0.3400 ( 8368 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9658 -17.9658 -17.9657 -17.9657 -8.5100 -8.5100 -8.5097 -8.5097 -8.2001 -8.2001 -7.9714 -7.9714 -7.9280 -7.9280 -7.5506 -7.5506 -7.3930 -7.3930 -7.3795 -7.3795 -7.3112 -7.3112 -7.0221 -7.0221 -7.0127 -7.0127 -5.6848 -5.6848 -4.9575 -4.9575 -4.9344 -4.9344 -4.7465 -4.7465 -3.7727 -3.7727 -3.7525 -3.7525 -3.6693 -3.6693 -3.6304 -3.6304 -3.6192 -3.6192 -3.6125 -3.6125 -3.5160 -3.5160 -3.4927 -3.4927 -2.4840 -2.4840 -2.4104 -2.4104 -2.3943 -2.3943 4.5538 4.5538 4.7395 4.7395 4.7562 4.7562 4.9600 4.9600 5.2514 5.2514 5.4253 5.4253 k = 0.5000 0.5000 0.3600 ( 8360 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5107 -8.5107 -8.5104 -8.5104 -8.1979 -8.1979 -7.9652 -7.9652 -7.9310 -7.9310 -7.5419 -7.5419 -7.3942 -7.3942 -7.3805 -7.3805 -7.3304 -7.3304 -7.0211 -7.0211 -7.0141 -7.0141 -5.6423 -5.6423 -4.9662 -4.9662 -4.9430 -4.9430 -4.7883 -4.7883 -3.7565 -3.7565 -3.7368 -3.7368 -3.6698 -3.6698 -3.6293 -3.6293 -3.6196 -3.6196 -3.6142 -3.6142 -3.5104 -3.5104 -3.4912 -3.4912 -2.4785 -2.4785 -2.4202 -2.4202 -2.4044 -2.4044 4.5728 4.5728 4.7372 4.7372 4.7540 4.7540 4.9350 4.9350 5.2771 5.2771 5.4166 5.4166 k = 0.5000 0.5000 0.3800 ( 8372 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5114 -8.5114 -8.5111 -8.5111 -8.1959 -8.1959 -7.9596 -7.9596 -7.9338 -7.9338 -7.5329 -7.5329 -7.3961 -7.3961 -7.3816 -7.3816 -7.3483 -7.3483 -7.0202 -7.0202 -7.0152 -7.0152 -5.6010 -5.6010 -4.9740 -4.9740 -4.9509 -4.9509 -4.8288 -4.8288 -3.7420 -3.7420 -3.7235 -3.7235 -3.6696 -3.6696 -3.6281 -3.6281 -3.6202 -3.6202 -3.6155 -3.6155 -3.5051 -3.5051 -3.4899 -3.4899 -2.4741 -2.4741 -2.4286 -2.4286 -2.4138 -2.4138 4.5932 4.5932 4.7351 4.7351 4.7522 4.7522 4.9083 4.9083 5.3023 5.3023 5.4089 5.4089 k = 0.5000 0.5000 0.4000 ( 8372 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5119 -8.5119 -8.5117 -8.5117 -8.1941 -8.1941 -7.9545 -7.9545 -7.9362 -7.9362 -7.5233 -7.5233 -7.3996 -7.3996 -7.3826 -7.3826 -7.3638 -7.3638 -7.0195 -7.0195 -7.0160 -7.0160 -5.5618 -5.5618 -4.9806 -4.9806 -4.9580 -4.9580 -4.8669 -4.8669 -3.7297 -3.7297 -3.7134 -3.7134 -3.6680 -3.6680 -3.6269 -3.6269 -3.6208 -3.6208 -3.6166 -3.6166 -3.5003 -3.5003 -3.4888 -3.4888 -2.4712 -2.4712 -2.4352 -2.4352 -2.4222 -2.4222 4.6148 4.6148 4.7334 4.7334 4.7506 4.7506 4.8808 4.8808 5.3258 5.3258 5.4024 5.4024 k = 0.5000 0.5000 0.4200 ( 8372 PWs) bands (ev): -17.9842 -17.9842 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5123 -8.5123 -8.5122 -8.5122 -8.1926 -8.1926 -7.9501 -7.9501 -7.9382 -7.9382 -7.5132 -7.5132 -7.4064 -7.4064 -7.3834 -7.3834 -7.3749 -7.3749 -7.0189 -7.0189 -7.0166 -7.0166 -5.5256 -5.5256 -4.9861 -4.9861 -4.9649 -4.9649 -4.9012 -4.9012 -3.7195 -3.7195 -3.7068 -3.7068 -3.6647 -3.6647 -3.6260 -3.6260 -3.6211 -3.6211 -3.6175 -3.6175 -3.4962 -3.4962 -3.4879 -3.4879 -2.4701 -2.4701 -2.4396 -2.4396 -2.4293 -2.4293 4.6376 4.6376 4.7320 4.7320 4.7493 4.7493 4.8528 4.8528 5.3465 5.3465 5.3970 5.3970 k = 0.5000 0.5000 0.4400 ( 8376 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5126 -8.5126 -8.5126 -8.5126 -8.1913 -8.1913 -7.9466 -7.9466 -7.9398 -7.9398 -7.5027 -7.5027 -7.4172 -7.4172 -7.3842 -7.3842 -7.3809 -7.3809 -7.0184 -7.0184 -7.0171 -7.0171 -5.4940 -5.4940 -4.9904 -4.9904 -4.9725 -4.9725 -4.9293 -4.9293 -3.7116 -3.7116 -3.7032 -3.7032 -3.6604 -3.6604 -3.6257 -3.6257 -3.6209 -3.6209 -3.6183 -3.6183 -3.4929 -3.4929 -3.4873 -3.4873 -2.4706 -2.4706 -2.4419 -2.4419 -2.4350 -2.4350 4.6613 4.6613 4.7310 4.7310 4.7483 4.7483 4.8248 4.8248 5.3638 5.3638 5.3928 5.3928 k = 0.5000 0.5000 0.4600 ( 8392 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5129 -8.5129 -8.5129 -8.5129 -8.1905 -8.1905 -7.9441 -7.9441 -7.9410 -7.9410 -7.4921 -7.4921 -7.4297 -7.4297 -7.3848 -7.3848 -7.3836 -7.3836 -7.0181 -7.0181 -7.0174 -7.0174 -5.4689 -5.4689 -4.9935 -4.9935 -4.9822 -4.9822 -4.9476 -4.9476 -3.7060 -3.7060 -3.7015 -3.7015 -3.6561 -3.6561 -3.6260 -3.6260 -3.6203 -3.6203 -3.6189 -3.6189 -3.4903 -3.4903 -3.4869 -3.4869 -2.4719 -2.4719 -2.4426 -2.4426 -2.4393 -2.4393 4.6856 4.6856 4.7306 4.7306 4.7476 4.7476 4.7970 4.7970 5.3766 5.3766 5.3897 5.3897 k = 0.5000 0.5000 0.4800 ( 8416 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5131 -8.5131 -8.5131 -8.5131 -8.1900 -8.1900 -7.9426 -7.9426 -7.9417 -7.9417 -7.4825 -7.4825 -7.4410 -7.4410 -7.3851 -7.3851 -7.3848 -7.3848 -7.0179 -7.0179 -7.0176 -7.0176 -5.4525 -5.4525 -4.9954 -4.9954 -4.9920 -4.9920 -4.9559 -4.9559 -3.7026 -3.7026 -3.7009 -3.7009 -3.6530 -3.6530 -3.6265 -3.6265 -3.6198 -3.6198 -3.6193 -3.6193 -3.4885 -3.4885 -3.4870 -3.4870 -2.4731 -2.4731 -2.4428 -2.4428 -2.4418 -2.4418 4.7087 4.7087 4.7322 4.7322 4.7472 4.7472 4.7699 4.7699 5.3846 5.3846 5.3879 5.3879 k = 0.5000 0.5000 0.5000 ( 8480 PWs) bands (ev): -17.9843 -17.9843 -17.9669 -17.9669 -17.9657 -17.9657 -17.9657 -17.9657 -8.5133 -8.5133 -8.5133 -8.5133 -8.1899 -8.1899 -7.9422 -7.9422 -7.9422 -7.9422 -7.4778 -7.4778 -7.4464 -7.4464 -7.3853 -7.3853 -7.3853 -7.3853 -7.0179 -7.0179 -7.0179 -7.0179 -5.4467 -5.4467 -4.9961 -4.9961 -4.9961 -4.9961 -4.9583 -4.9583 -3.7012 -3.7012 -3.7012 -3.7012 -3.6519 -3.6519 -3.6268 -3.6268 -3.6195 -3.6195 -3.6195 -3.6195 -3.4875 -3.4875 -3.4875 -3.4875 -2.4736 -2.4736 -2.4428 -2.4428 -2.4428 -2.4428 4.7197 4.7197 4.7432 4.7432 4.7470 4.7470 4.7470 4.7470 5.3873 5.3873 5.3873 5.3873 Writing output data file CdxCNx2.save init_run : 3.41s CPU 11.74s WALL ( 1 calls) electrons : 981.47s CPU 988.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.69s WALL ( 1 calls) Called by electrons: c_bands : 981.44s CPU 988.58s WALL ( 1 calls) v_of_rho : 0.11s CPU 1.00s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.10s CPU 0.66s WALL ( 1 calls) newd : 1.09s CPU 1.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.12s WALL ( 197 calls) cegterg : 893.98s CPU 898.36s WALL ( 438 calls) Called by sum_band: Called by *egterg: h_psi : 479.03s CPU 484.76s WALL ( 6345 calls) s_psi : 34.09s CPU 34.16s WALL ( 6345 calls) g_psi : 1.00s CPU 0.99s WALL ( 5710 calls) cdiaghg : 274.41s CPU 273.28s WALL ( 5907 calls) cegterg:over : 73.16s CPU 72.02s WALL ( 5710 calls) cegterg:upda : 25.65s CPU 27.20s WALL ( 5710 calls) cegterg:last : 19.94s CPU 20.33s WALL ( 1109 calls) Called by h_psi: h_psi:vloc : 401.97s CPU 406.07s WALL ( 6345 calls) h_psi:vnl : 76.39s CPU 77.50s WALL ( 6345 calls) add_vuspsi : 27.56s CPU 29.53s WALL ( 6345 calls) General routines calbec : 48.80s CPU 47.84s WALL ( 6345 calls) fft : 0.19s CPU 1.15s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 342.16s CPU 344.51s WALL ( 968916 calls) interpolate : 0.10s CPU 0.18s WALL ( 4 calls) davcio : 0.02s CPU 2.96s WALL ( 394 calls) Parallel routines fft_scatter : 202.58s CPU 200.93s WALL ( 968939 calls) PWSCF : 17m35.38s CPU 21m22.20s WALL This run was terminated on: 20: 5: 2 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=