Program PWSCF v.5.1.1 starts on 29Oct2015 at 11:58:18 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: ./CrCd3Te4.save/ file Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P renormalized 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 156 48 13 10188 1722 259 Max 157 49 14 10193 1739 262 Sum 7513 2313 657 489129 83119 12533 bravais-lattice index = 14 lattice parameter (alat) = 12.1509 a.u. unit-cell volume = 1794.0289 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 74.00 number of Kohn-Sham states= 88 kinetic-energy cutoff = 49.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.150938 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 Cr read from file: /home/autes/Pseudo/Cr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5eb7f017135fb502322d448d1515490d Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1183 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 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. # 3 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) Cd 12.00 112.41100 Cd( 1.00) Te 6.00 127.60000 Te( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 194 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0051546 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0051546 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0051546 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0051546 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0051546 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0051546 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0051546 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0051546 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0051546 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0051546 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0051546 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0051546 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0051546 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0051546 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0051546 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0051546 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0051546 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0051546 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0051546 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0051546 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0051546 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0051546 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0051546 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0051546 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0051546 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0051546 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0051546 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0051546 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0051546 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0051546 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0051546 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0051546 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0051546 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0051546 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0051546 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0051546 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0051546 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0051546 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0051546 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0051546 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0051546 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0051546 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0051546 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0051546 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0051546 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0051546 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0051546 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 54) = ( 0.4857143 0.4857143 -0.0000000), wk = 0.0051546 k( 55) = ( 0.4714286 0.4714286 -0.0000000), wk = 0.0051546 k( 56) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0051546 k( 57) = ( 0.4428571 0.4428571 -0.0000000), wk = 0.0051546 k( 58) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0051546 k( 59) = ( 0.4142857 0.4142857 -0.0000000), wk = 0.0051546 k( 60) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0051546 k( 61) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0051546 k( 62) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0051546 k( 63) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0051546 k( 64) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0051546 k( 65) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0051546 k( 66) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0051546 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0051546 k( 68) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0051546 k( 69) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0051546 k( 70) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0051546 k( 71) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0051546 k( 72) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0051546 k( 73) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0051546 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0051546 k( 75) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0051546 k( 76) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0051546 k( 77) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0051546 k( 78) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0051546 k( 79) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0051546 k( 80) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0051546 k( 81) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0051546 k( 82) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0051546 k( 83) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0051546 k( 84) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0051546 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0051546 k( 86) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0051546 k( 87) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0051546 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 90) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051546 k( 91) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051546 k( 92) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051546 k( 93) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051546 k( 94) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051546 k( 95) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051546 k( 96) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0051546 k( 97) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051546 k( 98) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051546 k( 99) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051546 k( 100) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051546 k( 101) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051546 k( 102) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051546 k( 103) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051546 k( 104) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051546 k( 105) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051546 k( 106) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051546 k( 107) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051546 k( 108) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051546 k( 109) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051546 k( 110) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051546 k( 111) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0051546 k( 112) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051546 k( 113) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051546 k( 114) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051546 k( 115) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051546 k( 116) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051546 k( 117) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051546 k( 118) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051546 k( 119) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051546 k( 120) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051546 k( 121) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051546 k( 122) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051546 k( 123) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051546 k( 124) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051546 k( 125) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0051546 k( 126) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051546 k( 127) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051546 k( 128) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051546 k( 129) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051546 k( 130) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051546 k( 131) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051546 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 134) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0051546 k( 135) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0051546 k( 136) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0051546 k( 137) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0051546 k( 138) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0051546 k( 139) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0051546 k( 140) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0051546 k( 141) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0051546 k( 142) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0051546 k( 143) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0051546 k( 144) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0051546 k( 145) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0051546 k( 146) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0051546 k( 147) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0051546 k( 148) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0051546 k( 149) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0051546 k( 150) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0051546 k( 151) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0051546 k( 152) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0051546 k( 153) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0051546 k( 154) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0051546 k( 155) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0051546 k( 156) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0051546 k( 157) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0051546 k( 158) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0051546 k( 159) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0051546 k( 160) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0051546 k( 161) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0051546 k( 162) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0051546 k( 163) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0051546 k( 164) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0051546 k( 165) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0051546 k( 166) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0051546 k( 167) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0051546 k( 168) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051546 k( 169) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051546 k( 170) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051546 k( 171) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051546 k( 172) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051546 k( 173) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051546 k( 174) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051546 k( 175) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051546 k( 176) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051546 k( 177) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051546 k( 178) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051546 k( 179) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051546 k( 180) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051546 k( 181) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051546 k( 182) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051546 k( 183) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051546 k( 184) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051546 k( 185) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051546 k( 186) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051546 k( 187) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051546 k( 188) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051546 k( 189) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051546 k( 190) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051546 k( 191) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051546 k( 192) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051546 k( 193) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051546 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0051546 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0051546 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0051546 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0051546 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0051546 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0051546 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0051546 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0051546 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0051546 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0051546 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0051546 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0051546 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0051546 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0051546 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0051546 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0051546 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0051546 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0051546 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0051546 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0051546 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0051546 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0051546 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0051546 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0051546 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0051546 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0051546 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0051546 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0051546 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0051546 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0051546 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0051546 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0051546 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0051546 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0051546 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0051546 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0051546 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0051546 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0051546 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0051546 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0051546 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0051546 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0051546 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0051546 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0051546 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0051546 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0051546 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0051546 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0051546 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 54) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0051546 k( 55) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0051546 k( 56) = ( 0.4571429 0.4571429 0.0000000), wk = 0.0051546 k( 57) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0051546 k( 58) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0051546 k( 59) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0051546 k( 60) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0051546 k( 61) = ( 0.3857143 0.3857143 0.0000000), wk = 0.0051546 k( 62) = ( 0.3714286 0.3714286 0.0000000), wk = 0.0051546 k( 63) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0051546 k( 64) = ( 0.3428571 0.3428571 0.0000000), wk = 0.0051546 k( 65) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0051546 k( 66) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0051546 k( 67) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0051546 k( 68) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0051546 k( 69) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0051546 k( 70) = ( 0.2571429 0.2571429 0.0000000), wk = 0.0051546 k( 71) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0051546 k( 72) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0051546 k( 73) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0051546 k( 74) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0051546 k( 75) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0051546 k( 76) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0051546 k( 77) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0051546 k( 78) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0051546 k( 79) = ( 0.1285714 0.1285714 0.0000000), wk = 0.0051546 k( 80) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0051546 k( 81) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0051546 k( 82) = ( 0.0857143 0.0857143 0.0000000), wk = 0.0051546 k( 83) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0051546 k( 84) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0051546 k( 85) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0051546 k( 86) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0051546 k( 87) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0051546 k( 88) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 90) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051546 k( 91) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051546 k( 92) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051546 k( 93) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051546 k( 94) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051546 k( 95) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051546 k( 96) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0051546 k( 97) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051546 k( 98) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051546 k( 99) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051546 k( 100) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051546 k( 101) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051546 k( 102) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051546 k( 103) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051546 k( 104) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051546 k( 105) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051546 k( 106) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051546 k( 107) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051546 k( 108) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051546 k( 109) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051546 k( 110) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051546 k( 111) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0051546 k( 112) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051546 k( 113) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051546 k( 114) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051546 k( 115) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051546 k( 116) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051546 k( 117) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051546 k( 118) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051546 k( 119) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051546 k( 120) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051546 k( 121) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051546 k( 122) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051546 k( 123) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051546 k( 124) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051546 k( 125) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0051546 k( 126) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051546 k( 127) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051546 k( 128) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051546 k( 129) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051546 k( 130) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051546 k( 131) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051546 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 134) = ( 0.4857143 0.5000000 0.4857143), wk = 0.0051546 k( 135) = ( 0.4714286 0.5000000 0.4714286), wk = 0.0051546 k( 136) = ( 0.4571429 0.5000000 0.4571429), wk = 0.0051546 k( 137) = ( 0.4428571 0.5000000 0.4428571), wk = 0.0051546 k( 138) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0051546 k( 139) = ( 0.4142857 0.5000000 0.4142857), wk = 0.0051546 k( 140) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0051546 k( 141) = ( 0.3857143 0.5000000 0.3857143), wk = 0.0051546 k( 142) = ( 0.3714286 0.5000000 0.3714286), wk = 0.0051546 k( 143) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0051546 k( 144) = ( 0.3428571 0.5000000 0.3428571), wk = 0.0051546 k( 145) = ( 0.3285714 0.5000000 0.3285714), wk = 0.0051546 k( 146) = ( 0.3142857 0.5000000 0.3142857), wk = 0.0051546 k( 147) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0051546 k( 148) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0051546 k( 149) = ( 0.2714286 0.5000000 0.2714286), wk = 0.0051546 k( 150) = ( 0.2571429 0.5000000 0.2571429), wk = 0.0051546 k( 151) = ( 0.2428571 0.5000000 0.2428571), wk = 0.0051546 k( 152) = ( 0.2285714 0.5000000 0.2285714), wk = 0.0051546 k( 153) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0051546 k( 154) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0051546 k( 155) = ( 0.1857143 0.5000000 0.1857143), wk = 0.0051546 k( 156) = ( 0.1714286 0.5000000 0.1714286), wk = 0.0051546 k( 157) = ( 0.1571429 0.5000000 0.1571429), wk = 0.0051546 k( 158) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0051546 k( 159) = ( 0.1285714 0.5000000 0.1285714), wk = 0.0051546 k( 160) = ( 0.1142857 0.5000000 0.1142857), wk = 0.0051546 k( 161) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0051546 k( 162) = ( 0.0857143 0.5000000 0.0857143), wk = 0.0051546 k( 163) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0051546 k( 164) = ( 0.0571429 0.5000000 0.0571429), wk = 0.0051546 k( 165) = ( 0.0428571 0.5000000 0.0428571), wk = 0.0051546 k( 166) = ( 0.0285714 0.5000000 0.0285714), wk = 0.0051546 k( 167) = ( 0.0142857 0.5000000 0.0142857), wk = 0.0051546 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051546 k( 169) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 170) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051546 k( 171) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051546 k( 172) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051546 k( 173) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051546 k( 174) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051546 k( 175) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051546 k( 176) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051546 k( 177) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051546 k( 178) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051546 k( 179) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051546 k( 180) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051546 k( 181) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051546 k( 182) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051546 k( 183) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051546 k( 184) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051546 k( 185) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051546 k( 186) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051546 k( 187) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051546 k( 188) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051546 k( 189) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051546 k( 190) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051546 k( 191) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051546 k( 192) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051546 k( 193) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051546 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 Dense grid: 489129 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 83119 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.61 Mb ( 456, 88) NL pseudopotentials 0.70 Mb ( 228, 200) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.08 Mb ( 10190) G-vector shells 0.01 Mb ( 1669) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.45 Mb ( 456, 352) Each subspace H/S matrix 1.89 Mb ( 352, 352) Each matrix 0.54 Mb ( 200, 2, 88) The potential is recalculated from file : ./CrCd3Te4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.1 secs Computing kpt #: 2 total cpu time spent up to now is 58.1 secs Computing kpt #: 3 total cpu time spent up to now is 66.1 secs Computing kpt #: 4 total cpu time spent up to now is 74.2 secs Computing kpt #: 5 total cpu time spent up to now is 84.1 secs Computing kpt #: 6 total cpu time spent up to now is 93.9 secs Computing kpt #: 7 total cpu time spent up to now is 104.2 secs Computing kpt #: 8 total cpu time spent up to now is 114.8 secs Computing kpt #: 9 total cpu time spent up to now is 124.9 secs Computing kpt #: 10 total cpu time spent up to now is 135.0 secs Computing kpt #: 11 total cpu time spent up to now is 145.3 secs Computing kpt #: 12 total cpu time spent up to now is 154.8 secs Computing kpt #: 13 total cpu time spent up to now is 164.6 secs Computing kpt #: 14 total cpu time spent up to now is 174.4 secs Computing kpt #: 15 total cpu time spent up to now is 184.6 secs Computing kpt #: 16 total cpu time spent up to now is 195.0 secs Computing kpt #: 17 total cpu time spent up to now is 205.0 secs Computing kpt #: 18 total cpu time spent up to now is 215.0 secs Computing kpt #: 19 total cpu time spent up to now is 225.4 secs Computing kpt #: 20 total cpu time spent up to now is 235.8 secs Computing kpt #: 21 total cpu time spent up to now is 246.1 secs Computing kpt #: 22 total cpu time spent up to now is 256.5 secs Computing kpt #: 23 total cpu time spent up to now is 266.7 secs Computing kpt #: 24 total cpu time spent up to now is 276.8 secs Computing kpt #: 25 total cpu time spent up to now is 286.8 secs Computing kpt #: 26 total cpu time spent up to now is 297.7 secs Computing kpt #: 27 total cpu time spent up to now is 309.9 secs Computing kpt #: 28 total cpu time spent up to now is 320.3 secs Computing kpt #: 29 total cpu time spent up to now is 330.8 secs Computing kpt #: 30 total cpu time spent up to now is 341.0 secs Computing kpt #: 31 total cpu time spent up to now is 351.3 secs Computing kpt #: 32 total cpu time spent up to now is 361.8 secs Computing kpt #: 33 total cpu time spent up to now is 372.5 secs Computing kpt #: 34 total cpu time spent up to now is 383.4 secs Computing kpt #: 35 total cpu time spent up to now is 394.4 secs Computing kpt #: 36 total cpu time spent up to now is 405.5 secs Computing kpt #: 37 total cpu time spent up to now is 415.7 secs Computing kpt #: 38 total cpu time spent up to now is 425.9 secs Computing kpt #: 39 total cpu time spent up to now is 435.2 secs Computing kpt #: 40 total cpu time spent up to now is 444.6 secs Computing kpt #: 41 total cpu time spent up to now is 453.9 secs Computing kpt #: 42 total cpu time spent up to now is 464.1 secs Computing kpt #: 43 total cpu time spent up to now is 473.5 secs Computing kpt #: 44 total cpu time spent up to now is 483.5 secs Computing kpt #: 45 total cpu time spent up to now is 493.4 secs Computing kpt #: 46 total cpu time spent up to now is 503.2 secs Computing kpt #: 47 total cpu time spent up to now is 512.2 secs Computing kpt #: 48 total cpu time spent up to now is 521.0 secs Computing kpt #: 49 total cpu time spent up to now is 529.6 secs Computing kpt #: 50 total cpu time spent up to now is 538.0 secs Computing kpt #: 51 total cpu time spent up to now is 546.3 secs Computing kpt #: 52 total cpu time spent up to now is 554.2 secs Computing kpt #: 53 total cpu time spent up to now is 562.2 secs Computing kpt #: 54 total cpu time spent up to now is 570.8 secs Computing kpt #: 55 total cpu time spent up to now is 579.3 secs Computing kpt #: 56 total cpu time spent up to now is 587.7 secs Computing kpt #: 57 total cpu time spent up to now is 596.6 secs Computing kpt #: 58 total cpu time spent up to now is 606.4 secs Computing kpt #: 59 total cpu time spent up to now is 616.1 secs Computing kpt #: 60 total cpu time spent up to now is 625.9 secs Computing kpt #: 61 total cpu time spent up to now is 635.9 secs Computing kpt #: 62 total cpu time spent up to now is 645.8 secs Computing kpt #: 63 total cpu time spent up to now is 656.1 secs Computing kpt #: 64 total cpu time spent up to now is 667.4 secs Computing kpt #: 65 total cpu time spent up to now is 678.4 secs Computing kpt #: 66 total cpu time spent up to now is 690.6 secs Computing kpt #: 67 total cpu time spent up to now is 701.5 secs Computing kpt #: 68 total cpu time spent up to now is 712.4 secs Computing kpt #: 69 total cpu time spent up to now is 723.2 secs Computing kpt #: 70 total cpu time spent up to now is 734.0 secs Computing kpt #: 71 total cpu time spent up to now is 744.7 secs Computing kpt #: 72 total cpu time spent up to now is 755.1 secs Computing kpt #: 73 total cpu time spent up to now is 765.7 secs Computing kpt #: 74 total cpu time spent up to now is 776.1 secs Computing kpt #: 75 total cpu time spent up to now is 786.5 secs Computing kpt #: 76 total cpu time spent up to now is 796.2 secs Computing kpt #: 77 total cpu time spent up to now is 805.9 secs Computing kpt #: 78 total cpu time spent up to now is 816.0 secs Computing kpt #: 79 total cpu time spent up to now is 825.6 secs Computing kpt #: 80 total cpu time spent up to now is 835.0 secs Computing kpt #: 81 total cpu time spent up to now is 844.5 secs Computing kpt #: 82 total cpu time spent up to now is 854.6 secs Computing kpt #: 83 total cpu time spent up to now is 864.1 secs Computing kpt #: 84 total cpu time spent up to now is 874.1 secs Computing kpt #: 85 total cpu time spent up to now is 884.2 secs Computing kpt #: 86 total cpu time spent up to now is 892.5 secs Computing kpt #: 87 total cpu time spent up to now is 901.6 secs Computing kpt #: 88 total cpu time spent up to now is 909.5 secs Computing kpt #: 89 total cpu time spent up to now is 917.3 secs Computing kpt #: 90 total cpu time spent up to now is 925.3 secs Computing kpt #: 91 total cpu time spent up to now is 933.3 secs Computing kpt #: 92 total cpu time spent up to now is 942.6 secs Computing kpt #: 93 total cpu time spent up to now is 951.8 secs Computing kpt #: 94 total cpu time spent up to now is 961.2 secs Computing kpt #: 95 total cpu time spent up to now is 971.3 secs Computing kpt #: 96 total cpu time spent up to now is 981.2 secs Computing kpt #: 97 total cpu time spent up to now is 990.6 secs Computing kpt #: 98 total cpu time spent up to now is 1000.6 secs Computing kpt #: 99 total cpu time spent up to now is 1009.8 secs Computing kpt #: 100 total cpu time spent up to now is 1019.3 secs Computing kpt #: 101 total cpu time spent up to now is 1028.5 secs Computing kpt #: 102 total cpu time spent up to now is 1037.7 secs Computing kpt #: 103 total cpu time spent up to now is 1047.6 secs Computing kpt #: 104 total cpu time spent up to now is 1056.7 secs Computing kpt #: 105 total cpu time spent up to now is 1065.9 secs Computing kpt #: 106 total cpu time spent up to now is 1075.0 secs Computing kpt #: 107 total cpu time spent up to now is 1084.1 secs Computing kpt #: 108 total cpu time spent up to now is 1093.1 secs Computing kpt #: 109 total cpu time spent up to now is 1102.1 secs Computing kpt #: 110 total cpu time spent up to now is 1111.1 secs Computing kpt #: 111 total cpu time spent up to now is 1120.1 secs Computing kpt #: 112 total cpu time spent up to now is 1128.8 secs Computing kpt #: 113 total cpu time spent up to now is 1137.5 secs Computing kpt #: 114 total cpu time spent up to now is 1145.5 secs Computing kpt #: 115 total cpu time spent up to now is 1154.3 secs Computing kpt #: 116 total cpu time spent up to now is 1162.2 secs Computing kpt #: 117 total cpu time spent up to now is 1170.1 secs Computing kpt #: 118 total cpu time spent up to now is 1177.8 secs Computing kpt #: 119 total cpu time spent up to now is 1185.2 secs Computing kpt #: 120 total cpu time spent up to now is 1192.8 secs Computing kpt #: 121 total cpu time spent up to now is 1202.4 secs Computing kpt #: 122 total cpu time spent up to now is 1210.1 secs Computing kpt #: 123 total cpu time spent up to now is 1217.6 secs Computing kpt #: 124 total cpu time spent up to now is 1225.0 secs Computing kpt #: 125 total cpu time spent up to now is 1232.2 secs Computing kpt #: 126 total cpu time spent up to now is 1239.5 secs Computing kpt #: 127 total cpu time spent up to now is 1246.5 secs Computing kpt #: 128 total cpu time spent up to now is 1253.5 secs Computing kpt #: 129 total cpu time spent up to now is 1260.6 secs Computing kpt #: 130 total cpu time spent up to now is 1267.1 secs Computing kpt #: 131 total cpu time spent up to now is 1273.4 secs Computing kpt #: 132 total cpu time spent up to now is 1279.6 secs Computing kpt #: 133 total cpu time spent up to now is 1286.3 secs Computing kpt #: 134 total cpu time spent up to now is 1292.6 secs Computing kpt #: 135 total cpu time spent up to now is 1299.5 secs Computing kpt #: 136 total cpu time spent up to now is 1306.1 secs Computing kpt #: 137 total cpu time spent up to now is 1313.3 secs Computing kpt #: 138 total cpu time spent up to now is 1320.5 secs Computing kpt #: 139 total cpu time spent up to now is 1327.8 secs Computing kpt #: 140 total cpu time spent up to now is 1335.0 secs Computing kpt #: 141 total cpu time spent up to now is 1342.4 secs Computing kpt #: 142 total cpu time spent up to now is 1349.9 secs Computing kpt #: 143 total cpu time spent up to now is 1357.4 secs Computing kpt #: 144 total cpu time spent up to now is 1365.0 secs Computing kpt #: 145 total cpu time spent up to now is 1372.6 secs Computing kpt #: 146 total cpu time spent up to now is 1380.9 secs Computing kpt #: 147 total cpu time spent up to now is 1389.7 secs Computing kpt #: 148 total cpu time spent up to now is 1397.9 secs Computing kpt #: 149 total cpu time spent up to now is 1406.3 secs Computing kpt #: 150 total cpu time spent up to now is 1414.8 secs Computing kpt #: 151 total cpu time spent up to now is 1425.0 secs Computing kpt #: 152 total cpu time spent up to now is 1435.2 secs Computing kpt #: 153 total cpu time spent up to now is 1445.4 secs Computing kpt #: 154 total cpu time spent up to now is 1455.6 secs Computing kpt #: 155 total cpu time spent up to now is 1465.8 secs Computing kpt #: 156 total cpu time spent up to now is 1476.1 secs Computing kpt #: 157 total cpu time spent up to now is 1486.3 secs Computing kpt #: 158 total cpu time spent up to now is 1496.7 secs Computing kpt #: 159 total cpu time spent up to now is 1510.0 secs Computing kpt #: 160 total cpu time spent up to now is 1521.1 secs Computing kpt #: 161 total cpu time spent up to now is 1532.1 secs Computing kpt #: 162 total cpu time spent up to now is 1542.8 secs Computing kpt #: 163 total cpu time spent up to now is 1553.7 secs Computing kpt #: 164 total cpu time spent up to now is 1564.2 secs Computing kpt #: 165 total cpu time spent up to now is 1574.5 secs Computing kpt #: 166 total cpu time spent up to now is 1584.7 secs Computing kpt #: 167 total cpu time spent up to now is 1595.3 secs Computing kpt #: 168 total cpu time spent up to now is 1605.9 secs Computing kpt #: 169 total cpu time spent up to now is 1614.0 secs Computing kpt #: 170 total cpu time spent up to now is 1622.0 secs Computing kpt #: 171 total cpu time spent up to now is 1630.1 secs Computing kpt #: 172 total cpu time spent up to now is 1638.2 secs Computing kpt #: 173 total cpu time spent up to now is 1646.5 secs Computing kpt #: 174 total cpu time spent up to now is 1654.5 secs Computing kpt #: 175 total cpu time spent up to now is 1662.4 secs Computing kpt #: 176 total cpu time spent up to now is 1670.3 secs Computing kpt #: 177 total cpu time spent up to now is 1678.3 secs Computing kpt #: 178 total cpu time spent up to now is 1686.2 secs Computing kpt #: 179 total cpu time spent up to now is 1693.9 secs Computing kpt #: 180 total cpu time spent up to now is 1701.6 secs Computing kpt #: 181 total cpu time spent up to now is 1709.1 secs Computing kpt #: 182 total cpu time spent up to now is 1716.5 secs Computing kpt #: 183 total cpu time spent up to now is 1723.7 secs Computing kpt #: 184 total cpu time spent up to now is 1731.1 secs Computing kpt #: 185 total cpu time spent up to now is 1738.5 secs Computing kpt #: 186 total cpu time spent up to now is 1745.6 secs Computing kpt #: 187 total cpu time spent up to now is 1752.8 secs Computing kpt #: 188 total cpu time spent up to now is 1759.8 secs Computing kpt #: 189 total cpu time spent up to now is 1767.0 secs Computing kpt #: 190 total cpu time spent up to now is 1774.2 secs Computing kpt #: 191 total cpu time spent up to now is 1780.7 secs Computing kpt #: 192 total cpu time spent up to now is 1787.5 secs Computing kpt #: 193 total cpu time spent up to now is 1794.4 secs Computing kpt #: 194 total cpu time spent up to now is 1801.5 secs ethr = 1.35E-11, avg # of iterations = 36.2 total cpu time spent up to now is 1801.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9848 -5.9848 -5.4325 -5.4325 -5.4202 -5.4202 -5.4202 -5.4202 -3.4044 -3.4044 -3.4044 -3.4044 -3.3584 -3.3584 -3.2070 -3.2070 -3.2070 -3.2070 -3.0880 -3.0880 -2.7943 -2.7943 -2.7006 -2.7006 -2.6889 -2.6889 -2.6889 -2.6889 -2.6407 -2.6407 -2.6407 -2.6407 -2.3589 -2.3589 -2.3056 -2.3056 -2.3056 -2.3056 0.7156 0.7156 0.7156 0.7156 1.6879 1.6879 3.1112 3.1112 3.1112 3.1112 3.1368 3.1368 3.4521 3.4521 3.4521 3.4521 3.4678 3.4678 4.1622 4.1622 4.7457 4.7457 4.7457 4.7457 5.7705 5.7705 5.7705 5.7705 6.2721 6.2721 6.6293 6.6293 6.8377 6.8377 6.8377 6.8377 8.1952 8.1952 8.1952 8.1952 8.2037 8.2037 k = 0.0000 0.0200-0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9842 -5.9842 -5.4327 -5.4327 -5.4210 -5.4210 -5.4198 -5.4198 -3.4052 -3.4052 -3.4034 -3.4034 -3.3584 -3.3584 -3.2114 -3.2114 -3.2031 -3.2031 -3.0878 -3.0878 -2.7943 -2.7943 -2.7006 -2.7006 -2.6901 -2.6901 -2.6875 -2.6875 -2.6416 -2.6416 -2.6400 -2.6400 -2.3592 -2.3592 -2.3080 -2.3080 -2.3035 -2.3035 0.7129 0.7129 0.7213 0.7213 1.6888 1.6888 3.0991 3.0991 3.1218 3.1218 3.1360 3.1360 3.4436 3.4436 3.4578 3.4578 3.4682 3.4682 4.1593 4.1593 4.7404 4.7404 4.7445 4.7445 5.7709 5.7709 5.7728 5.7728 6.2730 6.2730 6.6305 6.6305 6.8366 6.8366 6.8426 6.8426 8.1954 8.1954 8.1988 8.1988 8.2071 8.2071 k = 0.0000 0.0400-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9826 -5.9826 -5.4333 -5.4333 -5.4223 -5.4223 -5.4195 -5.4195 -3.4059 -3.4059 -3.4022 -3.4022 -3.3584 -3.3584 -3.2160 -3.2160 -3.1996 -3.1996 -3.0874 -3.0874 -2.7943 -2.7943 -2.7008 -2.7008 -2.6911 -2.6911 -2.6860 -2.6860 -2.6427 -2.6427 -2.6393 -2.6393 -2.3602 -2.3602 -2.3112 -2.3112 -2.3013 -2.3013 0.7126 0.7126 0.7306 0.7306 1.6915 1.6915 3.0847 3.0847 3.1314 3.1314 3.1339 3.1339 3.4327 3.4327 3.4580 3.4580 3.4719 3.4719 4.1506 4.1506 4.7251 4.7251 4.7410 4.7410 5.7721 5.7721 5.7797 5.7797 6.2755 6.2755 6.6338 6.6338 6.8331 6.8331 6.8576 6.8576 8.1962 8.1962 8.2075 8.2075 8.2195 8.2195 k = 0.0000 0.0600-0.0000 ( 10387 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9798 -5.9798 -5.4345 -5.4345 -5.4240 -5.4240 -5.4192 -5.4192 -3.4063 -3.4063 -3.4008 -3.4008 -3.3584 -3.3584 -3.2208 -3.2208 -3.1966 -3.1966 -3.0867 -3.0867 -2.7943 -2.7943 -2.7009 -2.7009 -2.6920 -2.6920 -2.6842 -2.6842 -2.6438 -2.6438 -2.6387 -2.6387 -2.3620 -2.3620 -2.3151 -2.3151 -2.2988 -2.2988 0.7143 0.7143 0.7438 0.7438 1.6960 1.6960 3.0678 3.0678 3.1301 3.1301 3.1406 3.1406 3.4191 3.4191 3.4531 3.4531 3.4790 3.4790 4.1361 4.1361 4.7007 4.7007 4.7352 4.7352 5.7741 5.7741 5.7909 5.7909 6.2790 6.2790 6.6377 6.6377 6.8273 6.8273 6.8838 6.8838 8.1959 8.1959 8.2238 8.2238 8.2406 8.2406 k = 0.0000 0.0800-0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9759 -5.9759 -5.4367 -5.4367 -5.4259 -5.4259 -5.4189 -5.4189 -3.4067 -3.4067 -3.3991 -3.3991 -3.3584 -3.3584 -3.2258 -3.2258 -3.1942 -3.1942 -3.0858 -3.0858 -2.7943 -2.7943 -2.7012 -2.7012 -2.6928 -2.6928 -2.6823 -2.6823 -2.6450 -2.6450 -2.6383 -2.6383 -2.3647 -2.3647 -2.3198 -2.3198 -2.2959 -2.2959 0.7175 0.7175 0.7612 0.7612 1.7023 1.7023 3.0481 3.0481 3.1249 3.1249 3.1501 3.1501 3.4028 3.4028 3.4451 3.4451 3.4877 3.4877 4.1155 4.1155 4.6689 4.6689 4.7272 4.7272 5.7768 5.7768 5.8061 5.8061 6.2827 6.2827 6.6407 6.6407 6.8190 6.8190 6.9220 6.9220 8.1954 8.1954 8.2477 8.2477 8.2698 8.2698 k = 0.0000 0.1000-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9710 -5.9710 -5.4401 -5.4401 -5.4276 -5.4276 -5.4186 -5.4186 -3.4069 -3.4069 -3.3972 -3.3972 -3.3584 -3.3584 -3.2310 -3.2310 -3.1926 -3.1926 -3.0846 -3.0846 -2.7943 -2.7943 -2.7015 -2.7015 -2.6935 -2.6935 -2.6803 -2.6803 -2.6465 -2.6465 -2.6380 -2.6380 -2.3686 -2.3686 -2.3249 -2.3249 -2.2927 -2.2927 0.7221 0.7221 0.7826 0.7826 1.7104 1.7104 3.0254 3.0254 3.1181 3.1181 3.1602 3.1602 3.3838 3.3838 3.4348 3.4348 3.4977 3.4977 4.0887 4.0887 4.6316 4.6316 4.7171 4.7171 5.7803 5.7803 5.8248 5.8248 6.2861 6.2861 6.6416 6.6416 6.8084 6.8084 6.9723 6.9723 8.1953 8.1953 8.2796 8.2796 8.3069 8.3069 k = 0.0000 0.1200-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9650 -5.9650 -5.4449 -5.4449 -5.4289 -5.4289 -5.4183 -5.4183 -3.4069 -3.4069 -3.3951 -3.3951 -3.3584 -3.3584 -3.2363 -3.2363 -3.1916 -3.1916 -3.0831 -3.0831 -2.7941 -2.7941 -2.7018 -2.7018 -2.6942 -2.6942 -2.6781 -2.6781 -2.6479 -2.6479 -2.6378 -2.6378 -2.3739 -2.3739 -2.3298 -2.3298 -2.2890 -2.2890 0.7279 0.7279 0.8080 0.8080 1.7204 1.7204 2.9998 2.9998 3.1098 3.1098 3.1710 3.1710 3.3626 3.3626 3.4224 3.4224 3.5090 3.5090 4.0557 4.0557 4.5907 4.5907 4.7051 4.7051 5.7844 5.7844 5.8465 5.8465 6.2889 6.2889 6.6402 6.6402 6.7954 6.7954 7.0337 7.0337 8.1959 8.1959 8.3193 8.3193 8.3519 8.3519 k = 0.0000 0.1400-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9580 -5.9580 -5.4511 -5.4511 -5.4299 -5.4299 -5.4179 -5.4179 -3.4068 -3.4068 -3.3927 -3.3927 -3.3584 -3.3584 -3.2415 -3.2415 -3.1914 -3.1914 -3.0813 -3.0813 -2.7939 -2.7939 -2.7020 -2.7020 -2.6948 -2.6948 -2.6758 -2.6758 -2.6494 -2.6494 -2.6377 -2.6377 -2.3811 -2.3811 -2.3341 -2.3341 -2.2850 -2.2850 0.7348 0.7348 0.8371 0.8371 1.7321 1.7321 2.9714 2.9714 3.1001 3.1001 3.1827 3.1827 3.3397 3.3397 3.4082 3.4082 3.5212 3.5212 4.0165 4.0165 4.5479 4.5479 4.6913 4.6913 5.7891 5.7891 5.8704 5.8704 6.2909 6.2909 6.6364 6.6364 6.7802 6.7802 7.1048 7.1048 8.1976 8.1976 8.3670 8.3670 8.4048 8.4048 k = 0.0000 0.1600-0.0000 ( 10415 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9499 -5.9499 -5.4584 -5.4584 -5.4308 -5.4308 -5.4176 -5.4176 -3.4066 -3.4066 -3.3901 -3.3901 -3.3585 -3.3585 -3.2467 -3.2467 -3.1921 -3.1921 -3.0793 -3.0793 -2.7936 -2.7936 -2.7022 -2.7022 -2.6955 -2.6955 -2.6735 -2.6735 -2.6511 -2.6511 -2.6376 -2.6376 -2.3901 -2.3901 -2.3376 -2.3376 -2.2808 -2.2808 0.7427 0.7427 0.8695 0.8695 1.7458 1.7458 2.9405 2.9405 3.0891 3.0891 3.1951 3.1951 3.3156 3.3156 3.3926 3.3926 3.5341 3.5341 3.9713 3.9713 4.5048 4.5048 4.6759 4.6759 5.7942 5.7942 5.8961 5.8961 6.2922 6.2922 6.6303 6.6303 6.7629 6.7629 7.1838 7.1838 8.2006 8.2006 8.4224 8.4224 8.4650 8.4650 k = 0.0000 0.1800-0.0000 ( 10415 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9409 -5.9409 -5.4669 -5.4669 -5.4315 -5.4315 -5.4172 -5.4172 -3.4061 -3.4061 -3.3871 -3.3871 -3.3585 -3.3585 -3.2518 -3.2518 -3.1935 -3.1935 -3.0770 -3.0770 -2.7930 -2.7930 -2.7024 -2.7024 -2.6961 -2.6961 -2.6711 -2.6711 -2.6527 -2.6527 -2.6376 -2.6376 -2.4008 -2.4008 -2.3400 -2.3400 -2.2764 -2.2764 0.7514 0.7514 0.9049 0.9049 1.7613 1.7613 2.9073 2.9073 3.0770 3.0770 3.2081 3.2081 3.2909 3.2909 3.3762 3.3762 3.5474 3.5474 3.9209 3.9209 4.4624 4.4624 4.6591 4.6591 5.7998 5.7998 5.9228 5.9228 6.2931 6.2931 6.6223 6.6223 6.7438 6.7438 7.2690 7.2690 8.2053 8.2053 8.4848 8.4848 8.5295 8.5295 k = 0.0000 0.2000-0.0000 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9309 -5.9309 -5.4763 -5.4763 -5.4322 -5.4322 -5.4169 -5.4169 -3.4056 -3.4056 -3.3840 -3.3840 -3.3584 -3.3584 -3.2568 -3.2568 -3.1957 -3.1957 -3.0744 -3.0744 -2.7923 -2.7923 -2.7025 -2.7025 -2.6969 -2.6969 -2.6688 -2.6688 -2.6541 -2.6541 -2.6375 -2.6375 -2.4128 -2.4128 -2.3417 -2.3417 -2.2718 -2.2718 0.7608 0.7608 0.9429 0.9429 1.7788 1.7788 2.8722 2.8722 3.0640 3.0640 3.2210 3.2210 3.2661 3.2661 3.3599 3.3599 3.5602 3.5602 3.8663 3.8663 4.4215 4.4215 4.6410 4.6410 5.8058 5.8058 5.9499 5.9499 6.2936 6.2936 6.6128 6.6128 6.7233 6.7233 7.3588 7.3588 8.2118 8.2118 8.5504 8.5504 8.5797 8.5797 k = 0.0000 0.2200-0.0000 ( 10387 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9200 -5.9200 -5.4866 -5.4866 -5.4328 -5.4328 -5.4165 -5.4165 -3.4051 -3.4051 -3.3807 -3.3807 -3.3583 -3.3583 -3.2616 -3.2616 -3.1986 -3.1986 -3.0717 -3.0717 -2.7913 -2.7913 -2.7024 -2.7024 -2.6978 -2.6978 -2.6668 -2.6668 -2.6553 -2.6553 -2.6374 -2.6374 -2.4256 -2.4256 -2.3427 -2.3427 -2.2672 -2.2672 0.7708 0.7708 0.9829 0.9829 1.7982 1.7982 2.8355 2.8355 3.0502 3.0502 3.2314 3.2314 3.2428 3.2428 3.3450 3.3450 3.5713 3.5713 3.8097 3.8097 4.3824 4.3824 4.6217 4.6217 5.8120 5.8120 5.9770 5.9770 6.2941 6.2941 6.6021 6.6021 6.7017 6.7017 7.4516 7.4516 8.2206 8.2206 8.5996 8.5996 8.6414 8.6414 k = 0.0000 0.2400-0.0000 ( 10399 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9082 -5.9082 -5.4979 -5.4979 -5.4334 -5.4334 -5.4162 -5.4162 -3.4044 -3.4044 -3.3773 -3.3773 -3.3581 -3.3581 -3.2663 -3.2663 -3.2023 -3.2023 -3.0690 -3.0690 -2.7901 -2.7901 -2.7025 -2.7025 -2.6990 -2.6990 -2.6656 -2.6656 -2.6558 -2.6558 -2.6373 -2.6373 -2.4391 -2.4391 -2.3433 -2.3433 -2.2628 -2.2628 0.7813 0.7813 1.0244 1.0244 1.8195 1.8195 2.7978 2.7978 3.0358 3.0358 3.2163 3.2163 3.2418 3.2418 3.3344 3.3344 3.5770 3.5770 3.7553 3.7553 4.3452 4.3452 4.6016 4.6016 5.8182 5.8182 6.0035 6.0035 6.2946 6.2946 6.5904 6.5904 6.6795 6.6795 7.5461 7.5461 8.2319 8.2319 8.6344 8.6344 8.7209 8.7209 k = 0.0000 0.2600-0.0000 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8956 -5.8956 -5.5100 -5.5100 -5.4340 -5.4340 -5.4159 -5.4159 -3.4037 -3.4037 -3.3739 -3.3739 -3.3576 -3.3576 -3.2708 -3.2708 -3.2066 -3.2066 -3.0663 -3.0663 -2.7887 -2.7887 -2.7025 -2.7025 -2.7003 -2.7003 -2.6653 -2.6653 -2.6554 -2.6554 -2.6369 -2.6369 -2.4529 -2.4529 -2.3436 -2.3436 -2.2584 -2.2584 0.7922 0.7922 1.0668 1.0668 1.8428 1.8428 2.7595 2.7595 3.0211 3.0211 3.1934 3.1934 3.2420 3.2420 3.3320 3.3320 3.5688 3.5688 3.7126 3.7126 4.3101 4.3101 4.5807 4.5807 5.8245 5.8245 6.0290 6.0290 6.2951 6.2951 6.5782 6.5782 6.6570 6.6570 7.6406 7.6406 8.2460 8.2460 8.6657 8.6657 8.8053 8.8053 k = 0.0000 0.2800-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8823 -5.8823 -5.5229 -5.5229 -5.4345 -5.4345 -5.4156 -5.4156 -3.4029 -3.4029 -3.3708 -3.3708 -3.3566 -3.3566 -3.2750 -3.2750 -3.2115 -3.2115 -3.0635 -3.0635 -2.7869 -2.7869 -2.7025 -2.7025 -2.7019 -2.7019 -2.6660 -2.6660 -2.6542 -2.6542 -2.6362 -2.6362 -2.4667 -2.4667 -2.3436 -2.3436 -2.2541 -2.2541 0.8032 0.8032 1.1096 1.1096 1.8681 1.8681 2.7212 2.7212 3.0063 3.0063 3.1714 3.1714 3.2338 3.2338 3.3390 3.3390 3.5356 3.5356 3.6933 3.6933 4.2770 4.2770 4.5592 4.5592 5.8308 5.8308 6.0531 6.0531 6.2959 6.2959 6.5658 6.5658 6.6347 6.6347 7.7337 7.7337 8.2632 8.2632 8.6946 8.6946 8.8901 8.8901 k = 0.0000 0.3000-0.0000 ( 10383 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8682 -5.8682 -5.5365 -5.5365 -5.4350 -5.4350 -5.4153 -5.4153 -3.4020 -3.4020 -3.3682 -3.3682 -3.3546 -3.3546 -3.2789 -3.2789 -3.2169 -3.2169 -3.0608 -3.0608 -2.7846 -2.7846 -2.7040 -2.7040 -2.7021 -2.7021 -2.6671 -2.6671 -2.6528 -2.6528 -2.6348 -2.6348 -2.4804 -2.4804 -2.3434 -2.3434 -2.2499 -2.2499 0.8142 0.8142 1.1521 1.1521 1.8952 1.8952 2.6833 2.6833 2.9917 2.9917 3.1506 3.1506 3.2199 3.2199 3.3528 3.3528 3.4823 3.4823 3.6935 3.6935 4.2461 4.2461 4.5375 4.5375 5.8368 5.8368 6.0757 6.0757 6.2969 6.2969 6.5535 6.5535 6.6131 6.6131 7.8237 7.8237 8.2840 8.2840 8.7211 8.7211 8.9723 8.9723 k = 0.0000 0.3200-0.0000 ( 10383 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8534 -5.8534 -5.5509 -5.5509 -5.4355 -5.4355 -5.4151 -5.4151 -3.4011 -3.4011 -3.3667 -3.3667 -3.3516 -3.3516 -3.2824 -3.2824 -3.2228 -3.2228 -3.0583 -3.0583 -2.7821 -2.7821 -2.7063 -2.7063 -2.7020 -2.7020 -2.6682 -2.6682 -2.6518 -2.6518 -2.6329 -2.6329 -2.4937 -2.4937 -2.3430 -2.3430 -2.2461 -2.2461 0.8249 0.8249 1.1936 1.1936 1.9240 1.9240 2.6464 2.6464 2.9775 2.9775 3.1309 3.1309 3.2034 3.2034 3.3701 3.3701 3.4206 3.4206 3.7021 3.7021 4.2174 4.2174 4.5156 4.5156 5.8426 5.8426 6.0964 6.0964 6.2981 6.2981 6.5415 6.5415 6.5924 6.5924 7.9088 7.9088 8.3087 8.3087 8.7446 8.7446 9.0491 9.0491 k = 0.0000 0.3400-0.0000 ( 10383 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8381 -5.8381 -5.5659 -5.5659 -5.4359 -5.4359 -5.4149 -5.4149 -3.4002 -3.4002 -3.3659 -3.3659 -3.3475 -3.3475 -3.2856 -3.2856 -3.2290 -3.2290 -3.0559 -3.0559 -2.7793 -2.7793 -2.7091 -2.7091 -2.7019 -2.7019 -2.6694 -2.6694 -2.6511 -2.6511 -2.6303 -2.6303 -2.5066 -2.5066 -2.3426 -2.3426 -2.2425 -2.2425 0.8353 0.8353 1.2334 1.2334 1.9543 1.9543 2.6111 2.6111 2.9639 2.9639 3.1122 3.1122 3.1862 3.1862 3.3568 3.3568 3.3897 3.3897 3.7135 3.7135 4.1911 4.1911 4.4940 4.4940 5.8480 5.8480 6.1151 6.1151 6.2995 6.2995 6.5301 6.5301 6.5730 6.5730 7.9873 7.9873 8.3374 8.3374 8.7648 8.7648 9.1133 9.1133 k = 0.0000 0.3600-0.0000 ( 10399 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8222 -5.8222 -5.5815 -5.5815 -5.4362 -5.4362 -5.4147 -5.4147 -3.3993 -3.3993 -3.3658 -3.3658 -3.3428 -3.3428 -3.2883 -3.2883 -3.2358 -3.2358 -3.0537 -3.0537 -2.7762 -2.7762 -2.7124 -2.7124 -2.7017 -2.7017 -2.6704 -2.6704 -2.6508 -2.6508 -2.6270 -2.6270 -2.5190 -2.5190 -2.3421 -2.3421 -2.2392 -2.2392 0.8451 0.8451 1.2709 1.2709 1.9857 1.9857 2.5780 2.5780 2.9514 2.9514 3.0939 3.0939 3.1692 3.1692 3.2956 3.2956 3.4095 3.4095 3.7249 3.7249 4.1677 4.1677 4.4730 4.4730 5.8530 5.8530 6.1316 6.1316 6.3010 6.3010 6.5196 6.5196 6.5551 6.5551 8.0575 8.0575 8.3695 8.3695 8.7818 8.7818 9.1407 9.1407 k = 0.0000 0.3800-0.0000 ( 10415 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3673 -36.3673 -36.3673 -36.3673 -5.8058 -5.8058 -5.5975 -5.5975 -5.4366 -5.4366 -5.4145 -5.4145 -3.3984 -3.3984 -3.3659 -3.3659 -3.3378 -3.3378 -3.2906 -3.2906 -3.2427 -3.2427 -3.0517 -3.0517 -2.7727 -2.7727 -2.7160 -2.7160 -2.7016 -2.7016 -2.6713 -2.6713 -2.6507 -2.6507 -2.6231 -2.6231 -2.5307 -2.5307 -2.3416 -2.3416 -2.2364 -2.2364 0.8541 0.8541 1.3051 1.3051 2.0176 2.0176 2.5477 2.5477 2.9401 2.9401 3.0750 3.0750 3.1531 3.1531 3.2395 3.2395 3.4293 3.4293 3.7353 3.7353 4.1473 4.1473 4.4529 4.4529 5.8574 5.8574 6.1460 6.1460 6.3025 6.3025 6.5102 6.5102 6.5391 6.5391 8.1186 8.1186 8.4034 8.4034 8.7961 8.7961 9.1270 9.1270 k = 0.0000 0.4000-0.0000 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7890 -5.7890 -5.6141 -5.6141 -5.4369 -5.4369 -5.4143 -5.4143 -3.3975 -3.3975 -3.3661 -3.3661 -3.3326 -3.3326 -3.2922 -3.2922 -3.2497 -3.2497 -3.0500 -3.0500 -2.7689 -2.7689 -2.7200 -2.7200 -2.7015 -2.7015 -2.6719 -2.6719 -2.6509 -2.6509 -2.6188 -2.6188 -2.5416 -2.5416 -2.3411 -2.3411 -2.2338 -2.2338 0.8622 0.8622 1.3356 1.3356 2.0489 2.0489 2.5206 2.5206 2.9305 2.9305 3.0536 3.0536 3.1381 3.1381 3.1923 3.1923 3.4483 3.4483 3.7438 3.7438 4.1304 4.1304 4.4344 4.4344 5.8613 5.8613 6.1582 6.1582 6.3041 6.3041 6.5020 6.5020 6.5251 6.5251 8.1705 8.1705 8.4358 8.4358 8.8092 8.8092 9.1013 9.1013 k = 0.0000 0.4200-0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7718 -5.7718 -5.6310 -5.6310 -5.4371 -5.4371 -5.4142 -5.4142 -3.3968 -3.3968 -3.3663 -3.3663 -3.3275 -3.3275 -3.2931 -3.2931 -3.2567 -3.2567 -3.0485 -3.0485 -2.7648 -2.7648 -2.7242 -2.7242 -2.7014 -2.7014 -2.6724 -2.6724 -2.6510 -2.6510 -2.6140 -2.6140 -2.5516 -2.5516 -2.3406 -2.3406 -2.2317 -2.2317 0.8690 0.8690 1.3616 1.3616 2.0785 2.0785 2.4975 2.4975 2.9229 2.9229 3.0281 3.0281 3.1245 3.1245 3.1574 3.1574 3.4657 3.4657 3.7500 3.7500 4.1172 4.1172 4.4179 4.4179 5.8646 5.8646 6.1681 6.1681 6.3055 6.3055 6.4952 6.4952 6.5133 6.5133 8.2140 8.2140 8.4630 8.4630 8.8233 8.8233 9.0750 9.0750 k = 0.0000 0.4400-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7544 -5.7544 -5.6482 -5.6482 -5.4373 -5.4373 -5.4141 -5.4141 -3.3961 -3.3961 -3.3667 -3.3667 -3.3230 -3.3230 -3.2929 -3.2929 -3.2637 -3.2637 -3.0475 -3.0475 -2.7605 -2.7605 -2.7286 -2.7286 -2.7013 -2.7013 -2.6727 -2.6727 -2.6513 -2.6513 -2.6090 -2.6090 -2.5608 -2.5608 -2.3403 -2.3403 -2.2301 -2.2301 0.8745 0.8745 1.3825 1.3825 2.1046 2.1046 2.4789 2.4789 2.9178 2.9178 2.9996 2.9996 3.1131 3.1131 3.1351 3.1351 3.4806 3.4806 3.7539 3.7539 4.1074 4.1074 4.4041 4.4041 5.8671 5.8671 6.1758 6.1758 6.3068 6.3068 6.4900 6.4900 6.5038 6.5038 8.2494 8.2494 8.4817 8.4817 8.8399 8.8399 9.0504 9.0504 k = 0.0000 0.4600-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7368 -5.7368 -5.6657 -5.6657 -5.4374 -5.4374 -5.4141 -5.4141 -3.3957 -3.3957 -3.3669 -3.3669 -3.3194 -3.3194 -3.2913 -3.2913 -3.2704 -3.2704 -3.0467 -3.0467 -2.7563 -2.7563 -2.7331 -2.7331 -2.7012 -2.7012 -2.6730 -2.6730 -2.6515 -2.6515 -2.6038 -2.6038 -2.5690 -2.5690 -2.3401 -2.3401 -2.2289 -2.2289 0.8785 0.8785 1.3979 1.3979 2.1254 2.1254 2.4652 2.4652 2.9156 2.9156 2.9724 2.9724 3.1047 3.1047 3.1221 3.1221 3.4923 3.4923 3.7560 3.7560 4.1010 4.1010 4.3936 4.3936 5.8689 5.8689 6.1812 6.1812 6.3077 6.3077 6.4863 6.4863 6.4969 6.4969 8.2767 8.2767 8.4917 8.4917 8.8584 8.8584 9.0285 9.0285 k = 0.0000 0.4800-0.0000 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7192 -5.7192 -5.6833 -5.6833 -5.4375 -5.4375 -5.4140 -5.4140 -3.3954 -3.3954 -3.3671 -3.3671 -3.3172 -3.3172 -3.2884 -3.2884 -3.2765 -3.2765 -3.0462 -3.0462 -2.7525 -2.7525 -2.7370 -2.7370 -2.7012 -2.7012 -2.6731 -2.6731 -2.6516 -2.6516 -2.5991 -2.5991 -2.5755 -2.5755 -2.3399 -2.3399 -2.2281 -2.2281 0.8810 0.8810 1.4073 1.4073 2.1389 2.1389 2.4568 2.4568 2.9168 2.9168 2.9515 2.9515 3.0999 3.0999 3.1151 3.1151 3.4997 3.4997 3.7568 3.7568 4.0974 4.0974 4.3871 4.3871 5.8700 5.8700 6.1845 6.1845 6.3083 6.3083 6.4842 6.4842 6.4925 6.4925 8.2943 8.2943 8.4953 8.4953 8.8748 8.8748 9.0115 9.0115 k = 0.0000 0.5000-0.0000 ( 10436 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.7034 -5.7034 -5.6990 -5.6990 -5.4375 -5.4375 -5.4140 -5.4140 -3.3953 -3.3953 -3.3672 -3.3672 -3.3166 -3.3166 -3.2859 -3.2859 -3.2802 -3.2802 -3.0462 -3.0462 -2.7507 -2.7507 -2.7389 -2.7389 -2.7012 -2.7012 -2.6732 -2.6732 -2.6518 -2.6518 -2.5969 -2.5969 -2.5783 -2.5783 -2.3399 -2.3399 -2.2280 -2.2280 0.8818 0.8818 1.4104 1.4104 2.1436 2.1436 2.4540 2.4540 2.9187 2.9187 2.9425 2.9425 3.0983 3.0983 3.1129 3.1129 3.5022 3.5022 3.7570 3.7570 4.0963 4.0963 4.3848 4.3848 5.8704 5.8704 6.1856 6.1856 6.3085 6.3085 6.4835 6.4835 6.4910 6.4910 8.3005 8.3005 8.4959 8.4959 8.8818 8.8818 9.0047 9.0047 k = 0.0000 0.5000-0.0000 ( 10436 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.7034 -5.7034 -5.6990 -5.6990 -5.4375 -5.4375 -5.4140 -5.4140 -3.3953 -3.3953 -3.3672 -3.3672 -3.3166 -3.3166 -3.2859 -3.2859 -3.2802 -3.2802 -3.0462 -3.0462 -2.7507 -2.7507 -2.7389 -2.7389 -2.7012 -2.7012 -2.6732 -2.6732 -2.6518 -2.6518 -2.5969 -2.5969 -2.5783 -2.5783 -2.3399 -2.3399 -2.2280 -2.2280 0.8818 0.8818 1.4104 1.4104 2.1436 2.1436 2.4540 2.4540 2.9187 2.9187 2.9425 2.9425 3.0983 3.0983 3.1129 3.1129 3.5022 3.5022 3.7570 3.7570 4.0963 4.0963 4.3848 4.3848 5.8704 5.8704 6.1856 6.1856 6.3085 6.3085 6.4835 6.4835 6.4910 6.4910 8.3005 8.3005 8.4959 8.4959 8.8818 8.8818 9.0047 9.0047 k = 0.0200 0.5000-0.0000 ( 10410 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7033 -5.7029 -5.6991 -5.6984 -5.4378 -5.4377 -5.4145 -5.4140 -3.3967 -3.3937 -3.3681 -3.3665 -3.3189 -3.3138 -3.2904 -3.2820 -3.2811 -3.2782 -3.0471 -3.0454 -2.7538 -2.7475 -2.7397 -2.7381 -2.7016 -2.7007 -2.6737 -2.6724 -2.6517 -2.6515 -2.5968 -2.5967 -2.5784 -2.5779 -2.3414 -2.3391 -2.2300 -2.2265 0.8770 0.8881 1.4054 1.4144 2.1379 2.1453 2.4476 2.4568 2.8847 2.9306 2.9473 2.9494 3.0790 3.1004 3.1265 3.1350 3.4974 3.5095 3.7424 3.7724 4.0866 4.1042 4.3811 4.3861 5.8693 5.8729 6.1836 6.1871 6.3086 6.3099 6.4826 6.4834 6.4899 6.4923 8.2904 8.3145 8.4955 8.5064 8.8818 8.8918 8.9951 9.0125 k = 0.0400 0.5000-0.0000 ( 10410 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7026 -5.7019 -5.6986 -5.6972 -5.4385 -5.4385 -5.4156 -5.4145 -3.3981 -3.3921 -3.3691 -3.3659 -3.3211 -3.3110 -3.2945 -3.2838 -3.2764 -3.2761 -3.0483 -3.0449 -2.7568 -2.7444 -2.7407 -2.7374 -2.7021 -2.7002 -2.6742 -2.6716 -2.6514 -2.6512 -2.5966 -2.5963 -2.5781 -2.5772 -2.3436 -2.3391 -2.2328 -2.2259 0.8736 0.8958 1.3995 1.4172 2.1281 2.1431 2.4380 2.4559 2.8501 2.9168 2.9439 2.9614 3.0819 3.1004 3.1506 3.1712 3.4939 3.5197 3.7282 3.7887 4.0753 4.1100 4.3749 4.3851 5.8696 5.8767 6.1812 6.1880 6.3102 6.3128 6.4794 6.4795 6.4901 6.4962 8.2845 8.3322 8.5050 8.5269 8.8918 8.9117 8.9840 9.0185 k = 0.0600 0.5000-0.0000 ( 10402 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7014 -5.7002 -5.6976 -5.6955 -5.4398 -5.4397 -5.4172 -5.4156 -3.3993 -3.3904 -3.3702 -3.3657 -3.3231 -3.3081 -3.2981 -3.2856 -3.2746 -3.2707 -3.0497 -3.0447 -2.7596 -2.7417 -2.7414 -2.7368 -2.7024 -2.6997 -2.6744 -2.6708 -2.6509 -2.6507 -2.5963 -2.5958 -2.5774 -2.5760 -2.3464 -2.3399 -2.2363 -2.2258 0.8717 0.9047 1.3928 1.4189 2.1142 2.1372 2.4262 2.4520 2.8167 2.9016 2.9251 2.9563 3.1072 3.1187 3.1766 3.2129 3.4904 3.5324 3.7144 3.8062 4.0622 4.1135 4.3668 4.3822 5.8714 5.8820 6.1787 6.1884 6.3132 6.3173 6.4718 6.4723 6.4937 6.5028 8.2824 8.3531 8.5243 8.5573 8.9116 8.9414 8.9716 9.0225 k = 0.0800 0.5000-0.0000 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6995 -5.6980 -5.6960 -5.6932 -5.4415 -5.4414 -5.4192 -5.4171 -3.4005 -3.3887 -3.3715 -3.3656 -3.3251 -3.3062 -3.3004 -3.2874 -3.2727 -3.2652 -3.0513 -3.0447 -2.7624 -2.7427 -2.7393 -2.7358 -2.7026 -2.6993 -2.6743 -2.6700 -2.6502 -2.6501 -2.5959 -2.5951 -2.5763 -2.5747 -2.3498 -2.3417 -2.2405 -2.2264 0.8713 0.9150 1.3854 1.4192 2.0963 2.1276 2.4132 2.4460 2.7851 2.8846 2.8983 2.9392 3.1414 3.1558 3.2067 3.2573 3.4854 3.5465 3.7013 3.8252 4.0470 4.1141 4.3574 4.3783 5.8746 5.8887 6.1761 6.1881 6.3172 6.3230 6.4613 6.4623 6.4999 6.5113 8.2837 8.3762 8.5529 8.5973 8.9361 8.9630 8.9805 9.0245 k = 0.1000 0.5000-0.0000 ( 10380 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6971 -5.6952 -5.6939 -5.6903 -5.4437 -5.4436 -5.4218 -5.4192 -3.4015 -3.3869 -3.3727 -3.3657 -3.3270 -3.3073 -3.2988 -3.2890 -3.2708 -3.2593 -3.0532 -3.0450 -2.7649 -2.7436 -2.7387 -2.7338 -2.7024 -2.6989 -2.6740 -2.6693 -2.6496 -2.6489 -2.5953 -2.5942 -2.5745 -2.5729 -2.3536 -2.3444 -2.2454 -2.2275 0.8726 0.9264 1.3775 1.4184 2.0746 2.1145 2.4000 2.4390 2.7554 2.8656 2.8677 2.9178 3.1817 3.2026 3.2416 3.3031 3.4779 3.5603 3.6895 3.8455 4.0294 4.1116 4.3477 4.3741 5.8792 5.8967 6.1736 6.1874 6.3221 6.3297 6.4490 6.4507 6.5082 6.5214 8.2880 8.4006 8.5903 8.6465 8.9321 8.9911 9.0185 9.0343 k = 0.1200 0.5000-0.0000 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6941 -5.6919 -5.6912 -5.6870 -5.4463 -5.4462 -5.4249 -5.4218 -3.4024 -3.3851 -3.3740 -3.3660 -3.3289 -3.3100 -3.2954 -3.2906 -3.2688 -3.2533 -3.0552 -3.0457 -2.7672 -2.7445 -2.7390 -2.7314 -2.7020 -2.6985 -2.6734 -2.6686 -2.6490 -2.6475 -2.5948 -2.5932 -2.5723 -2.5708 -2.3579 -2.3481 -2.2510 -2.2292 0.8755 0.9391 1.3692 1.4163 2.0494 2.0981 2.3876 2.4319 2.7271 2.8349 2.8453 2.8962 3.2276 3.2534 3.2810 3.3494 3.4673 3.5715 3.6804 3.8668 4.0089 4.1059 4.3385 4.3705 5.8852 5.9060 6.1714 6.1864 6.3270 6.3366 6.4360 6.4387 6.5181 6.5325 8.2946 8.4256 8.6355 8.7044 8.9133 9.0176 9.0418 9.0895 k = 0.1400 0.5000-0.0000 ( 10390 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6906 -5.6884 -5.6876 -5.6831 -5.4494 -5.4494 -5.4284 -5.4250 -3.4032 -3.3833 -3.3752 -3.3666 -3.3309 -3.3128 -3.2920 -3.2917 -3.2666 -3.2471 -3.0575 -3.0466 -2.7693 -2.7454 -2.7399 -2.7292 -2.7012 -2.6981 -2.6726 -2.6681 -2.6485 -2.6459 -2.5943 -2.5922 -2.5694 -2.5684 -2.3627 -2.3529 -2.2573 -2.2315 0.8801 0.9529 1.3607 1.4130 2.0210 2.0786 2.3765 2.4256 2.6996 2.8009 2.8250 2.8764 3.2777 3.3064 3.3240 3.3945 3.4531 3.5785 3.6755 3.8883 3.9855 4.0972 4.3308 4.3682 5.8927 5.9167 6.1696 6.1852 6.3305 6.3421 6.4245 6.4281 6.5291 6.5443 8.3030 8.4502 8.6870 8.7704 8.8906 9.0113 9.1038 9.1560 k = 0.1600 0.5000-0.0000 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6866 -5.6847 -5.6832 -5.6787 -5.4530 -5.4530 -5.4324 -5.4286 -3.4038 -3.3816 -3.3763 -3.3674 -3.3330 -3.3155 -3.2933 -3.2881 -3.2640 -3.2408 -3.0601 -3.0479 -2.7712 -2.7462 -2.7412 -2.7275 -2.7000 -2.6978 -2.6714 -2.6676 -2.6480 -2.6440 -2.5938 -2.5909 -2.5659 -2.5656 -2.3678 -2.3587 -2.2642 -2.2342 0.8863 0.9679 1.3523 1.4086 1.9898 2.0561 2.3669 2.4206 2.6718 2.7668 2.8066 2.8593 3.3309 3.3600 3.3691 3.4358 3.4360 3.5821 3.6752 3.9067 3.9620 4.0866 4.3253 4.3675 5.9015 5.9286 6.1683 6.1840 6.3306 6.3435 6.4177 6.4214 6.5409 6.5565 8.3124 8.4736 8.7420 8.8425 8.8661 9.0037 9.1753 9.2294 k = 0.1800 0.5000-0.0000 ( 10404 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6820 -5.6805 -5.6783 -5.6739 -5.4571 -5.4570 -5.4368 -5.4327 -3.4043 -3.3804 -3.3767 -3.3683 -3.3352 -3.3180 -3.2944 -3.2848 -3.2609 -3.2343 -3.0628 -3.0495 -2.7728 -2.7469 -2.7427 -2.7262 -2.6984 -2.6974 -2.6700 -2.6672 -2.6475 -2.6419 -2.5933 -2.5895 -2.5624 -2.5619 -2.3732 -2.3655 -2.2715 -2.2374 0.8943 0.9839 1.3439 1.4032 1.9562 2.0309 2.3589 2.4170 2.6432 2.7335 2.7914 2.8451 3.3862 3.4034 3.4125 3.4265 3.4695 3.5882 3.6783 3.9044 3.9551 4.0754 4.3223 4.3684 5.9118 5.9417 6.1675 6.1831 6.3256 6.3381 6.4185 6.4208 6.5530 6.5689 8.3224 8.4953 8.7944 8.8339 8.9258 8.9997 9.2516 9.2671 k = 0.2000 0.5000-0.0000 ( 10390 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6770 -5.6759 -5.6729 -5.6685 -5.4616 -5.4614 -5.4417 -5.4373 -3.4046 -3.3803 -3.3759 -3.3693 -3.3376 -3.3202 -3.2953 -3.2819 -3.2571 -3.2276 -3.0657 -3.0514 -2.7741 -2.7474 -2.7444 -2.7253 -2.6970 -2.6964 -2.6681 -2.6667 -2.6471 -2.6397 -2.5928 -2.5879 -2.5589 -2.5573 -2.3789 -2.3731 -2.2793 -2.2410 0.9041 1.0010 1.3359 1.3971 1.9207 2.0032 2.3521 2.4151 2.6135 2.7025 2.7808 2.8338 3.3870 3.4424 3.4430 3.4735 3.4991 3.6021 3.6850 3.8747 3.9717 4.0654 4.3219 4.3706 5.9233 5.9558 6.1674 6.1826 6.3157 6.3268 6.4263 6.4265 6.5652 6.5810 8.3323 8.5145 8.8014 8.8302 9.0114 9.0115 9.2252 9.2456 k = 0.2200 0.5000-0.0000 ( 10398 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6716 -5.6709 -5.6670 -5.6628 -5.4666 -5.4662 -5.4470 -5.4424 -3.4047 -3.3810 -3.3743 -3.3704 -3.3401 -3.3223 -3.2959 -3.2797 -3.2525 -3.2209 -3.0689 -3.0536 -2.7753 -2.7478 -2.7463 -2.7249 -2.6965 -2.6944 -2.6663 -2.6659 -2.6467 -2.6374 -2.5923 -2.5862 -2.5550 -2.5522 -2.3848 -2.3816 -2.2874 -2.2452 0.9156 1.0190 1.3283 1.3905 1.8837 1.9733 2.3458 2.4143 2.5832 2.6749 2.7751 2.8255 3.3610 3.4452 3.5002 3.5272 3.5365 3.6176 3.7008 3.8361 3.9933 4.0580 4.3238 4.3740 5.9361 5.9709 6.1679 6.1826 6.3026 6.3122 6.4363 6.4391 6.5769 6.5926 8.3417 8.5307 8.7658 8.8354 9.0482 9.0980 9.1829 9.1983 k = 0.2400 0.5000-0.0000 ( 10412 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6657 -5.6655 -5.6606 -5.6565 -5.4720 -5.4715 -5.4527 -5.4479 -3.4046 -3.3818 -3.3723 -3.3716 -3.3428 -3.3243 -3.2964 -3.2782 -3.2472 -3.2141 -3.0723 -3.0562 -2.7762 -2.7484 -2.7481 -2.7249 -2.6961 -2.6924 -2.6658 -2.6632 -2.6464 -2.6351 -2.5917 -2.5842 -2.5508 -2.5469 -2.3909 -2.3909 -2.2957 -2.2498 0.9288 1.0381 1.3213 1.3834 1.8456 1.9417 2.3391 2.4141 2.5537 2.6523 2.7745 2.8198 3.3325 3.4306 3.5571 3.5687 3.5800 3.6311 3.7310 3.7939 4.0153 4.0542 4.3277 4.3780 5.9501 5.9866 6.1692 6.1833 6.2882 6.2966 6.4494 6.4542 6.5878 6.6033 8.3501 8.5431 8.7277 8.8159 9.0785 9.1227 9.1702 9.2155 k = 0.2600 0.5000-0.0000 ( 10420 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.6596 -5.6595 -5.6539 -5.6499 -5.4777 -5.4771 -5.4587 -5.4539 -3.4044 -3.3827 -3.3728 -3.3704 -3.3456 -3.3261 -3.2966 -3.2773 -3.2414 -3.2073 -3.0759 -3.0590 -2.7769 -2.7505 -2.7482 -2.7253 -2.6957 -2.6906 -2.6653 -2.6602 -2.6462 -2.6329 -2.5910 -2.5820 -2.5462 -2.5413 -2.4009 -2.3971 -2.3041 -2.2549 0.9438 1.0580 1.3150 1.3760 1.8068 1.9085 2.3308 2.4124 2.5274 2.6360 2.7787 2.8167 3.3025 3.4082 3.5700 3.6121 3.6302 3.6630 3.7515 3.7707 4.0364 4.0540 4.3332 4.3825 5.9649 6.0027 6.1712 6.1849 6.2737 6.2812 6.4642 6.4707 6.5977 6.6131 8.3571 8.5512 8.6877 8.7833 9.0539 9.0772 9.2239 9.3054 k = 0.2800 0.5000-0.0000 ( 10414 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.6534 -5.6529 -5.6468 -5.6429 -5.4839 -5.4830 -5.4652 -5.4602 -3.4039 -3.3834 -3.3740 -3.3685 -3.3484 -3.3278 -3.2965 -3.2767 -3.2350 -3.2004 -3.0797 -3.0621 -2.7773 -2.7526 -2.7481 -2.7258 -2.6951 -2.6890 -2.6647 -2.6569 -2.6458 -2.6306 -2.5901 -2.5794 -2.5413 -2.5357 -2.4115 -2.4033 -2.3125 -2.2603 0.9605 1.0787 1.3095 1.3687 1.7677 1.8742 2.3202 2.4059 2.5082 2.6267 2.7875 2.8160 3.2718 3.3816 3.5482 3.6506 3.6772 3.7079 3.7235 3.8137 4.0563 4.0571 4.3399 4.3871 5.9804 6.0186 6.1740 6.1874 6.2602 6.2669 6.4802 6.4879 6.6061 6.6215 8.3624 8.5543 8.6467 8.7438 9.0126 9.0291 9.2981 9.3962 k = 0.3000 0.5000-0.0000 ( 10418 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.6468 -5.6459 -5.6393 -5.6356 -5.4904 -5.4893 -5.4719 -5.4670 -3.4033 -3.3841 -3.3753 -3.3668 -3.3510 -3.3295 -3.2963 -3.2765 -3.2282 -3.1937 -3.0837 -3.0656 -2.7776 -2.7548 -2.7479 -2.7265 -2.6946 -2.6877 -2.6640 -2.6537 -2.6450 -2.6285 -2.5890 -2.5765 -2.5361 -2.5303 -2.4225 -2.4095 -2.3206 -2.2663 0.9789 1.1001 1.3049 1.3614 1.7287 1.8390 2.3071 2.3915 2.5001 2.6248 2.8005 2.8174 3.2411 3.3523 3.5162 3.6288 3.7281 3.7464 3.7549 3.8570 4.0623 4.0746 4.3474 4.3916 5.9962 6.0338 6.1775 6.1905 6.2489 6.2542 6.4968 6.5052 6.6129 6.6283 8.3659 8.5520 8.6054 8.7006 8.9708 8.9842 9.3702 9.4731 k = 0.3200 0.5000-0.0000 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6399 -5.6387 -5.6315 -5.6279 -5.4972 -5.4959 -5.4790 -5.4741 -3.4024 -3.3846 -3.3764 -3.3654 -3.3533 -3.3310 -3.2958 -3.2765 -3.2212 -3.1870 -3.0878 -3.0692 -2.7777 -2.7568 -2.7475 -2.7273 -2.6939 -2.6868 -2.6633 -2.6513 -2.6431 -2.6264 -2.5875 -2.5732 -2.5304 -2.5252 -2.4339 -2.4156 -2.3282 -2.2726 0.9988 1.1221 1.3011 1.3542 1.6902 1.8033 2.2920 2.3700 2.5024 2.6297 2.8175 2.8208 3.2112 3.3212 3.4786 3.5824 3.7788 3.7881 3.8008 3.8989 4.0688 4.0910 4.3553 4.3958 6.0118 6.0478 6.1811 6.1930 6.2417 6.2444 6.5135 6.5223 6.6179 6.6334 8.3675 8.5442 8.5648 8.6558 8.9314 8.9437 9.4306 9.5231 k = 0.3400 0.5000-0.0000 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6327 -5.6312 -5.6235 -5.6199 -5.5043 -5.5028 -5.4864 -5.4815 -3.4013 -3.3851 -3.3776 -3.3650 -3.3548 -3.3324 -3.2952 -3.2769 -3.2140 -3.1805 -3.0922 -3.0731 -2.7776 -2.7589 -2.7470 -2.7283 -2.6932 -2.6861 -2.6625 -2.6503 -2.6399 -2.6246 -2.5855 -2.5696 -2.5246 -2.5210 -2.4456 -2.4215 -2.3353 -2.2794 1.0203 1.1443 1.2981 1.3473 1.6528 1.7673 2.2757 2.3450 2.5118 2.6400 2.8257 2.8381 3.1831 3.2888 3.4378 3.5318 3.8260 3.8311 3.8443 3.9385 4.0756 4.1053 4.3633 4.3996 6.0266 6.0598 6.1838 6.1927 6.2387 6.2409 6.5298 6.5387 6.6208 6.6367 8.3675 8.5256 8.5314 8.6109 8.8958 8.9083 9.4739 9.5452 k = 0.3600 0.5000-0.0000 ( 10390 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6253 -5.6235 -5.6152 -5.6117 -5.5116 -5.5100 -5.4941 -5.4893 -3.4000 -3.3854 -3.3788 -3.3660 -3.3550 -3.3339 -3.2944 -3.2775 -3.2067 -3.1742 -3.0966 -3.0773 -2.7773 -2.7609 -2.7463 -2.7294 -2.6925 -2.6857 -2.6617 -2.6501 -2.6359 -2.6230 -2.5828 -2.5656 -2.5184 -2.5176 -2.4574 -2.4273 -2.3413 -2.2865 1.0431 1.1665 1.2957 1.3407 1.6170 1.7315 2.2594 2.3196 2.5257 2.6541 2.8323 2.8620 3.1578 3.2553 3.3952 3.4800 3.8668 3.8749 3.8845 3.9750 4.0819 4.1173 4.3712 4.4029 6.0402 6.0696 6.1840 6.1889 6.2390 6.2473 6.5455 6.5540 6.6218 6.6379 8.3662 8.4895 8.5139 8.5673 8.8646 8.8780 9.5001 9.5502 k = 0.3800 0.5000-0.0000 ( 10392 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6176 -5.6156 -5.6068 -5.6033 -5.5192 -5.5175 -5.5020 -5.4973 -3.3985 -3.3856 -3.3799 -3.3682 -3.3541 -3.3353 -3.2935 -3.2783 -3.1993 -3.1684 -3.1010 -3.0817 -2.7770 -2.7628 -2.7455 -2.7306 -2.6918 -2.6855 -2.6608 -2.6504 -2.6319 -2.6216 -2.5794 -2.5612 -2.5156 -2.5120 -2.4693 -2.4329 -2.3460 -2.2939 1.0673 1.1881 1.2936 1.3342 1.5840 1.6962 2.2440 2.2951 2.5427 2.6698 2.8406 2.8889 3.1367 3.2211 3.3524 3.4279 3.9027 3.9164 3.9209 4.0079 4.0872 4.1268 4.3787 4.4057 6.0521 6.0771 6.1814 6.1833 6.2455 6.2587 6.5602 6.5678 6.6209 6.6373 8.3640 8.4566 8.4935 8.5262 8.8380 8.8524 9.5136 9.5473 k = 0.4000 0.5000-0.0000 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6098 -5.6075 -5.5981 -5.5947 -5.5270 -5.5251 -5.5102 -5.5055 -3.3968 -3.3858 -3.3809 -3.3709 -3.3526 -3.3367 -3.2925 -3.2793 -3.1920 -3.1633 -3.1051 -3.0862 -2.7765 -2.7646 -2.7446 -2.7318 -2.6911 -2.6855 -2.6600 -2.6510 -2.6283 -2.6205 -2.5750 -2.5565 -2.5150 -2.5055 -2.4810 -2.4384 -2.3491 -2.3015 1.0924 1.2085 1.2915 1.3280 1.5548 1.6617 2.2303 2.2727 2.5619 2.6842 2.8513 2.9183 3.1210 3.1866 3.3105 3.3762 3.9346 3.9526 3.9540 4.0368 4.0909 4.1337 4.3855 4.4077 6.0622 6.0825 6.1772 6.1775 6.2566 6.2724 6.5735 6.5797 6.6187 6.6350 8.3618 8.4281 8.4718 8.4887 8.8162 8.8309 9.5191 9.5413 k = 0.4200 0.5000-0.0000 ( 10380 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6018 -5.5993 -5.5894 -5.5860 -5.5350 -5.5329 -5.5185 -5.5140 -3.3948 -3.3858 -3.3818 -3.3738 -3.3509 -3.3381 -3.2912 -3.2804 -3.1848 -3.1590 -3.1086 -3.0909 -2.7758 -2.7664 -2.7435 -2.7331 -2.6903 -2.6856 -2.6590 -2.6516 -2.6251 -2.6196 -2.5694 -2.5515 -2.5158 -2.4995 -2.4917 -2.4440 -2.3503 -2.3092 1.1183 1.2264 1.2888 1.3219 1.5311 1.6285 2.2191 2.2529 2.5825 2.6944 2.8658 2.9490 3.1119 3.1527 3.2705 3.3254 3.9622 3.9792 3.9870 4.0616 4.0927 4.1378 4.3917 4.4092 6.0704 6.0862 6.1724 6.1728 6.2700 6.2864 6.5849 6.5894 6.6156 6.6315 8.3602 8.4046 8.4501 8.4557 8.7992 8.8131 9.5202 9.5345 k = 0.4400 0.5000-0.0000 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5936 -5.5910 -5.5805 -5.5772 -5.5429 -5.5409 -5.5270 -5.5226 -3.3927 -3.3857 -3.3826 -3.3767 -3.3492 -3.3396 -3.2899 -3.2817 -3.1779 -3.1563 -3.1110 -3.0955 -2.7751 -2.7680 -2.7423 -2.7344 -2.6896 -2.6859 -2.6580 -2.6524 -2.6227 -2.6190 -2.5628 -2.5464 -2.5179 -2.5050 -2.4904 -2.4498 -2.3495 -2.3168 1.1446 1.2397 1.2857 1.3157 1.5151 1.5972 2.2108 2.2362 2.6041 2.6978 2.8854 2.9785 3.1101 3.1218 3.2335 3.2758 3.9852 4.0000 4.0153 4.0817 4.0928 4.1390 4.3970 4.4099 6.0768 6.0883 6.1683 6.1689 6.2839 6.2987 6.5940 6.5964 6.6129 6.6274 8.3598 8.3866 8.4282 8.4300 8.7868 8.7988 9.5193 9.5283 k = 0.4600 0.5000-0.0000 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5855 -5.5827 -5.5717 -5.5687 -5.5508 -5.5490 -5.5356 -5.5313 -3.3905 -3.3855 -3.3833 -3.3796 -3.3475 -3.3411 -3.2886 -3.2830 -3.1714 -3.1556 -3.1118 -3.1001 -2.7742 -2.7694 -2.7411 -2.7358 -2.6888 -2.6864 -2.6570 -2.6532 -2.6209 -2.6186 -2.5552 -2.5413 -2.5211 -2.5156 -2.4836 -2.4561 -2.3470 -2.3242 1.1707 1.2437 1.2850 1.3095 1.5085 1.5686 2.2058 2.2228 2.6259 2.6935 2.9103 2.9985 3.1027 3.1156 3.2002 3.2281 4.0032 4.0143 4.0387 4.0871 4.1012 4.1372 4.4014 4.4098 6.0817 6.0892 6.1654 6.1660 6.2966 6.3078 6.5994 6.6005 6.6123 6.6235 8.3610 8.3745 8.4074 8.4126 8.7790 8.7877 9.5180 9.5231 k = 0.4800 0.5000-0.0000 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5773 -5.5744 -5.5631 -5.5631 -5.5570 -5.5557 -5.5442 -5.5400 -3.3881 -3.3853 -3.3839 -3.3824 -3.3458 -3.3426 -3.2872 -3.2843 -3.1655 -3.1571 -3.1107 -3.1044 -2.7732 -2.7708 -2.7398 -2.7371 -2.6881 -2.6869 -2.6560 -2.6541 -2.6197 -2.6186 -2.5468 -2.5368 -2.5255 -2.5250 -2.4766 -2.4627 -2.3429 -2.3312 1.1955 1.2353 1.2893 1.3029 1.5118 1.5438 2.2045 2.2129 2.6470 2.6824 2.9391 2.9936 3.1109 3.1281 3.1712 3.1830 4.0156 4.0216 4.0573 4.0812 4.1144 4.1326 4.4049 4.4090 6.0853 6.0890 6.1637 6.1640 6.3064 6.3124 6.6012 6.6019 6.6146 6.6204 8.3634 8.3680 8.3946 8.3992 8.7754 8.7800 9.5172 9.5195 k = 0.5000 0.5000-0.0000 ( 10328 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5652 -5.5652 -5.5544 -5.5544 -5.5479 -5.5479 -3.3857 -3.3857 -3.3840 -3.3840 -3.3441 -3.3441 -3.2857 -3.2857 -3.1605 -3.1605 -3.1080 -3.1080 -2.7720 -2.7720 -2.7384 -2.7384 -2.6874 -2.6874 -2.6550 -2.6550 -2.6188 -2.6188 -2.5383 -2.5383 -2.5287 -2.5287 -2.4694 -2.4694 -2.3374 -2.3374 1.2179 1.2179 1.2960 1.2960 1.5242 1.5242 2.2068 2.2068 2.6663 2.6663 2.9690 2.9690 3.1413 3.1413 3.1478 3.1478 4.0220 4.0220 4.0713 4.0713 4.1250 4.1250 4.4074 4.4074 6.0877 6.0877 6.1633 6.1633 6.3120 6.3120 6.6018 6.6018 6.6177 6.6177 8.3654 8.3654 8.3920 8.3920 8.7758 8.7758 9.5176 9.5176 k = 0.5000 0.5000-0.0000 ( 10328 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5652 -5.5652 -5.5544 -5.5544 -5.5479 -5.5479 -3.3857 -3.3857 -3.3840 -3.3840 -3.3441 -3.3441 -3.2857 -3.2857 -3.1605 -3.1605 -3.1080 -3.1080 -2.7720 -2.7720 -2.7384 -2.7384 -2.6874 -2.6874 -2.6550 -2.6550 -2.6188 -2.6188 -2.5383 -2.5383 -2.5287 -2.5287 -2.4694 -2.4694 -2.3374 -2.3374 1.2179 1.2179 1.2960 1.2960 1.5242 1.5242 2.2068 2.2068 2.6663 2.6663 2.9690 2.9690 3.1413 3.1413 3.1478 3.1478 4.0220 4.0220 4.0713 4.0713 4.1250 4.1250 4.4074 4.4074 6.0877 6.0877 6.1633 6.1633 6.3120 6.3120 6.6018 6.6018 6.6177 6.6177 8.3654 8.3654 8.3920 8.3920 8.7758 8.7758 9.5176 9.5176 k = 0.4857 0.4857-0.0000 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5798 -5.5697 -5.5667 -5.5631 -5.5567 -5.5516 -5.5489 -5.5382 -3.3880 -3.3857 -3.3831 -3.3828 -3.3458 -3.3426 -3.2872 -3.2843 -3.1657 -3.1570 -3.1108 -3.1043 -2.7732 -2.7708 -2.7398 -2.7371 -2.6881 -2.6869 -2.6560 -2.6541 -2.6197 -2.6186 -2.5475 -2.5344 -2.5295 -2.5227 -2.4766 -2.4626 -2.3430 -2.3311 1.1952 1.2358 1.2891 1.3028 1.5119 1.5439 2.2044 2.2130 2.6464 2.6829 2.9394 2.9925 3.1085 3.1457 3.1483 3.1917 4.0156 4.0215 4.0576 4.0808 4.1144 4.1324 4.4049 4.4090 6.0853 6.0890 6.1638 6.1641 6.3062 6.3124 6.6009 6.6020 6.6147 6.6205 8.3614 8.3694 8.3921 8.4024 8.7753 8.7800 9.5173 9.5196 k = 0.4714 0.4714-0.0000 ( 10380 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5922 -5.5799 -5.5661 -5.5651 -5.5525 -5.5502 -5.5423 -5.5268 -3.3904 -3.3865 -3.3818 -3.3803 -3.3475 -3.3411 -3.2886 -3.2829 -3.1723 -3.1546 -3.1125 -3.0997 -2.7743 -2.7694 -2.7412 -2.7357 -2.6888 -2.6864 -2.6570 -2.6532 -2.6209 -2.6188 -2.5575 -2.5345 -2.5287 -2.5127 -2.4835 -2.4560 -2.3474 -2.3238 1.1697 1.2478 1.2825 1.3077 1.5098 1.5682 2.2058 2.2233 2.6231 2.6969 2.9130 2.9886 3.1047 3.1475 3.1563 3.2452 4.0034 4.0131 4.0421 4.0840 4.1015 4.1355 4.4024 4.4099 6.0818 6.0892 6.1655 6.1660 6.2961 6.3077 6.5977 6.5994 6.6142 6.6248 8.3497 8.3788 8.3968 8.4307 8.7783 8.7875 9.5188 9.5234 k = 0.4571 0.4571-0.0000 ( 10394 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6055 -5.5937 -5.5649 -5.5639 -5.5509 -5.5484 -5.5327 -5.5159 -3.3926 -3.3872 -3.3804 -3.3777 -3.3491 -3.3399 -3.2898 -3.2817 -3.1801 -3.1531 -3.1131 -3.0947 -2.7753 -2.7678 -2.7426 -2.7342 -2.6896 -2.6860 -2.6580 -2.6524 -2.6223 -2.6194 -2.5674 -2.5360 -2.5272 -2.5024 -2.4894 -2.4499 -2.3508 -2.3160 1.1433 1.2541 1.2761 1.3085 1.5196 1.5954 2.2109 2.2379 2.5968 2.7087 2.8924 2.9591 3.1203 3.1504 3.1791 3.3018 3.9863 3.9969 4.0262 4.0790 4.0862 4.1326 4.4014 4.4111 6.0773 6.0884 6.1684 6.1689 6.2825 6.2982 6.5905 6.5913 6.6191 6.6315 8.3320 8.3782 8.4199 8.4747 8.7837 8.7968 9.5226 9.5297 k = 0.4429 0.4429-0.0000 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6193 -5.6083 -5.5632 -5.5620 -5.5492 -5.5462 -5.5232 -5.5054 -3.3948 -3.3876 -3.3788 -3.3751 -3.3506 -3.3389 -3.2907 -3.2805 -3.1889 -3.1523 -3.1129 -3.0894 -2.7763 -2.7659 -2.7440 -2.7327 -2.6904 -2.6856 -2.6589 -2.6516 -2.6242 -2.6203 -2.5768 -2.5388 -2.5251 -2.4965 -2.4895 -2.4441 -2.3531 -2.3078 1.1170 1.2553 1.2696 1.3052 1.5400 1.6237 2.2197 2.2572 2.5686 2.7187 2.8779 2.9238 3.1307 3.1542 3.2209 3.3603 3.9655 3.9750 4.0092 4.0638 4.0691 4.1219 4.4030 4.4137 6.0720 6.0867 6.1725 6.1725 6.2671 6.2849 6.5794 6.5794 6.6273 6.6404 8.3096 8.3683 8.4592 8.5311 8.7900 8.8061 9.5294 9.5390 k = 0.4286 0.4286-0.0000 ( 10414 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.6336 -5.6234 -5.5609 -5.5596 -5.5471 -5.5435 -5.5141 -5.4957 -3.3968 -3.3878 -3.3773 -3.3725 -3.3521 -3.3383 -3.2912 -3.2795 -3.1985 -3.1520 -3.1122 -3.0843 -2.7773 -2.7638 -2.7455 -2.7312 -2.6912 -2.6855 -2.6598 -2.6509 -2.6262 -2.6217 -2.5857 -2.5434 -2.5225 -2.4985 -2.4799 -2.4387 -2.3545 -2.2994 1.0918 1.2517 1.2626 1.3001 1.5678 1.6522 2.2320 2.2815 2.5403 2.7266 2.8690 2.8906 3.1370 3.1589 3.2726 3.4199 3.9417 3.9497 3.9898 4.0378 4.0506 4.1026 4.4083 4.4189 6.0658 6.0842 6.1758 6.1774 6.2515 6.2692 6.5653 6.5653 6.6375 6.6506 8.2831 8.3526 8.5085 8.5967 8.7961 8.8134 9.5389 9.5515 k = 0.4143 0.4143-0.0000 ( 10397 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6484 -5.6390 -5.5581 -5.5566 -5.5446 -5.5403 -5.5057 -5.4865 -3.3987 -3.3876 -3.3758 -3.3699 -3.3532 -3.3383 -3.2911 -3.2785 -3.2086 -3.1518 -3.1109 -3.0792 -2.7783 -2.7614 -2.7470 -2.7295 -2.6920 -2.6855 -2.6605 -2.6503 -2.6285 -2.6234 -2.5939 -2.5495 -2.5193 -2.4994 -2.4696 -2.4334 -2.3550 -2.2911 1.0680 1.2435 1.2551 1.2951 1.5998 1.6797 2.2475 2.3111 2.5143 2.7318 2.8631 2.8647 3.1424 3.1644 3.3281 3.4800 3.9156 3.9225 3.9680 4.0033 4.0295 4.0750 4.4170 4.4269 6.0592 6.0810 6.1767 6.1826 6.2389 6.2525 6.5488 6.5496 6.6488 6.6616 8.2530 8.3316 8.5639 8.6660 8.8028 8.8174 9.5498 9.5665 k = 0.4000 0.4000-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6636 -5.6551 -5.5549 -5.5532 -5.5415 -5.5367 -5.4978 -5.4781 -3.4006 -3.3872 -3.3743 -3.3677 -3.3539 -3.3388 -3.2903 -3.2776 -3.2190 -3.1519 -3.1094 -3.0747 -2.7794 -2.7588 -2.7486 -2.7279 -2.6928 -2.6857 -2.6611 -2.6498 -2.6310 -2.6254 -2.6013 -2.5568 -2.5156 -2.4989 -2.4598 -2.4284 -2.3547 -2.2831 1.0457 1.2317 1.2467 1.2906 1.6335 1.7056 2.2650 2.3462 2.4933 2.7328 2.8440 2.8645 3.1478 3.1704 3.3846 3.5400 3.8876 3.8939 3.9444 3.9620 4.0062 4.0402 4.4286 4.4375 6.0521 6.0773 6.1714 6.1860 6.2336 6.2378 6.5306 6.5330 6.6608 6.6729 8.2195 8.3057 8.6203 8.7247 8.8186 8.8198 9.5591 9.5819 k = 0.3857 0.3857-0.0000 ( 10399 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6792 -5.6714 -5.5512 -5.5493 -5.5380 -5.5326 -5.4905 -5.4703 -3.4023 -3.3865 -3.3728 -3.3662 -3.3538 -3.3400 -3.2888 -3.2769 -3.2296 -3.1521 -3.1076 -3.0705 -2.7805 -2.7561 -2.7501 -2.7262 -2.6936 -2.6860 -2.6615 -2.6494 -2.6336 -2.6278 -2.6078 -2.5647 -2.5113 -2.4971 -2.4503 -2.4234 -2.3538 -2.2756 1.0250 1.2177 1.2373 1.2860 1.6672 1.7292 2.2821 2.3864 2.4810 2.7290 2.8350 2.8676 3.1536 3.1770 3.4400 3.5991 3.8574 3.8642 3.9163 3.9198 3.9813 4.0002 4.4423 4.4502 6.0449 6.0732 6.1588 6.1825 6.2307 6.2371 6.5113 6.5159 6.6731 6.6844 8.1829 8.2750 8.6702 8.7472 8.8207 8.8680 9.5620 9.5941 k = 0.3714 0.3714-0.0000 ( 10423 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.6950 -5.6880 -5.5471 -5.5450 -5.5342 -5.5282 -5.4838 -5.4631 -3.4039 -3.3857 -3.3715 -3.3658 -3.3526 -3.3418 -3.2867 -3.2765 -3.2401 -3.1524 -3.1057 -3.0670 -2.7817 -2.7547 -2.7503 -2.7245 -2.6944 -2.6867 -2.6617 -2.6493 -2.6363 -2.6304 -2.6135 -2.5728 -2.5067 -2.4945 -2.4414 -2.4184 -2.3525 -2.2689 1.0058 1.2022 1.2266 1.2807 1.6997 1.7503 2.2954 2.4311 2.4819 2.7225 2.8351 2.8738 3.1600 3.1838 3.4922 3.6559 3.8245 3.8338 3.8701 3.8949 3.9558 3.9578 4.4573 4.4642 6.0377 6.0689 6.1417 6.1692 6.2343 6.2469 6.4912 6.4987 6.6854 6.6958 8.1433 8.2398 8.7015 8.7427 8.8322 8.9340 9.5531 9.5987 k = 0.3571 0.3571-0.0000 ( 10409 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7111 -5.7048 -5.5426 -5.5403 -5.5299 -5.5234 -5.4776 -5.4566 -3.4053 -3.3844 -3.3703 -3.3661 -3.3504 -3.3440 -3.2838 -3.2764 -3.2500 -3.1527 -3.1036 -3.0639 -2.7828 -2.7559 -2.7475 -2.7228 -2.6952 -2.6873 -2.6617 -2.6495 -2.6390 -2.6331 -2.6183 -2.5807 -2.5014 -2.4912 -2.4329 -2.4134 -2.3507 -2.2628 0.9880 1.1856 1.2147 1.2740 1.7301 1.7686 2.3024 2.4788 2.4993 2.7178 2.8415 2.8827 3.1670 3.1909 3.5383 3.7048 3.7899 3.8027 3.8283 3.8680 3.9195 3.9311 4.4732 4.4791 6.0307 6.0644 6.1229 6.1509 6.2444 6.2607 6.4710 6.4818 6.6977 6.7069 8.1009 8.2003 8.7069 8.7276 8.8573 8.9969 9.5276 9.5902 k = 0.3429 0.3429-0.0000 ( 10417 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.7273 -5.7217 -5.5378 -5.5352 -5.5253 -5.5182 -5.4720 -5.4507 -3.4067 -3.3831 -3.3692 -3.3670 -3.3474 -3.3466 -3.2805 -3.2776 -3.2586 -3.1530 -3.1015 -3.0614 -2.7841 -2.7581 -2.7438 -2.7211 -2.6959 -2.6881 -2.6616 -2.6501 -2.6418 -2.6356 -2.6222 -2.5883 -2.4959 -2.4874 -2.4249 -2.4083 -2.3486 -2.2577 0.9713 1.1680 1.2012 1.2656 1.7578 1.7841 2.3043 2.5264 2.5320 2.7202 2.8517 2.8943 3.1745 3.1978 3.5743 3.7119 3.7713 3.7826 3.7943 3.8319 3.8977 3.9107 4.4896 4.4945 6.0239 6.0597 6.1034 6.1308 6.2579 6.2772 6.4508 6.4655 6.7096 6.7177 8.0559 8.1566 8.6947 8.7070 8.8853 9.0481 9.4836 9.5559 k = 0.3286 0.3286-0.0000 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7436 -5.7387 -5.5326 -5.5299 -5.5203 -5.5129 -5.4668 -5.4454 -3.4079 -3.3816 -3.3683 -3.3682 -3.3495 -3.3440 -3.2817 -3.2766 -3.2640 -3.1534 -3.0993 -3.0594 -2.7853 -2.7606 -2.7397 -2.7195 -2.6966 -2.6890 -2.6612 -2.6513 -2.6445 -2.6376 -2.6254 -2.5955 -2.4899 -2.4830 -2.4173 -2.4031 -2.3464 -2.2535 0.9556 1.1495 1.1862 1.2552 1.7823 1.7970 2.3051 2.5687 2.5759 2.7359 2.8644 2.9091 3.1827 3.2044 3.5961 3.6703 3.7398 3.7602 3.7870 3.8083 3.8977 3.9059 4.5060 4.5101 6.0173 6.0548 6.0840 6.1101 6.2733 6.2959 6.4311 6.4500 6.7210 6.7279 8.0085 8.1090 8.6739 8.6829 8.9054 9.0832 9.4220 9.4480 k = 0.3143 0.3143-0.0000 ( 10397 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7600 -5.7556 -5.5272 -5.5243 -5.5151 -5.5073 -5.4622 -5.4407 -3.4090 -3.3799 -3.3695 -3.3676 -3.3524 -3.3402 -3.2891 -3.2724 -3.2657 -3.1537 -3.0972 -3.0580 -2.7865 -2.7633 -2.7352 -2.7179 -2.6974 -2.6898 -2.6607 -2.6532 -2.6471 -2.6390 -2.6281 -2.6024 -2.4836 -2.4782 -2.4102 -2.3977 -2.3442 -2.2503 0.9405 1.1299 1.1693 1.2426 1.8032 1.8073 2.3084 2.6005 2.6268 2.7701 2.8789 2.9274 3.1915 3.2101 3.6022 3.6218 3.7086 3.7311 3.7396 3.8076 3.9159 3.9313 4.5225 4.5257 6.0110 6.0492 6.0652 6.0893 6.2899 6.3162 6.4124 6.4360 6.7320 6.7375 7.9588 8.0578 8.6492 8.6564 8.9125 9.1004 9.3356 9.3471 k = 0.3000 0.3000-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7762 -5.7724 -5.5215 -5.5184 -5.5097 -5.5015 -5.4580 -5.4366 -3.4099 -3.3784 -3.3709 -3.3673 -3.3552 -3.3362 -3.2978 -3.2680 -3.2656 -3.1542 -3.0952 -3.0570 -2.7877 -2.7661 -2.7306 -2.7164 -2.6980 -2.6905 -2.6602 -2.6556 -2.6497 -2.6397 -2.6303 -2.6087 -2.4770 -2.4731 -2.4035 -2.3922 -2.3419 -2.2480 0.9258 1.1092 1.1507 1.2275 1.8150 1.8199 2.3167 2.6229 2.6808 2.8209 2.8953 2.9504 3.2010 3.2146 3.5747 3.5956 3.6772 3.6938 3.7034 3.7902 3.9472 3.9741 4.5388 4.5411 6.0048 6.0396 6.0503 6.0687 6.3067 6.3368 6.3960 6.4242 6.7422 6.7464 7.9069 8.0031 8.6226 8.6286 8.9049 9.0999 9.2277 9.2658 k = 0.2857 0.2857-0.0000 ( 10387 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7924 -5.7891 -5.5157 -5.5124 -5.5041 -5.4956 -5.4542 -5.4329 -3.4108 -3.3771 -3.3720 -3.3675 -3.3576 -3.3318 -3.3068 -3.2645 -3.2633 -3.1547 -3.0933 -3.0565 -2.7889 -2.7690 -2.7260 -2.7149 -2.6986 -2.6911 -2.6596 -2.6583 -2.6521 -2.6400 -2.6321 -2.6146 -2.4700 -2.4675 -2.3971 -2.3866 -2.3397 -2.2467 0.9113 1.0874 1.1303 1.2100 1.8203 1.8321 2.3314 2.6414 2.7343 2.8783 2.9170 2.9799 3.2114 3.2173 3.5318 3.5812 3.6417 3.6553 3.6770 3.7689 3.9864 4.0208 4.5548 4.5564 5.9985 6.0229 6.0425 6.0485 6.3217 6.3512 6.3883 6.4165 6.7518 6.7545 7.8530 7.9453 8.5955 8.6000 8.8828 9.0814 9.1273 9.1850 k = 0.2714 0.2714-0.0000 ( 10397 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8083 -5.8055 -5.5097 -5.5063 -5.4984 -5.4897 -5.4508 -5.4298 -3.4115 -3.3767 -3.3724 -3.3688 -3.3592 -3.3272 -3.3156 -3.2630 -3.2586 -3.1553 -3.0915 -3.0566 -2.7899 -2.7719 -2.7214 -2.7136 -2.6992 -2.6915 -2.6612 -2.6591 -2.6544 -2.6401 -2.6336 -2.6201 -2.4629 -2.4615 -2.3911 -2.3808 -2.3377 -2.2463 0.8970 1.0647 1.1081 1.1899 1.8231 1.8395 2.3533 2.6605 2.7835 2.9161 2.9638 3.0175 3.2177 3.2231 3.4948 3.5633 3.6022 3.6255 3.6522 3.7479 4.0295 4.0675 4.5704 4.5713 5.9914 6.0044 6.0291 6.0359 6.3317 6.3467 6.4022 6.4160 6.7605 6.7618 7.7973 7.8847 8.5685 8.5713 8.8475 9.0178 9.0639 9.1086 k = 0.2571 0.2571-0.0000 ( 10405 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8240 -5.8215 -5.5036 -5.5001 -5.4926 -5.4837 -5.4477 -5.4271 -3.4122 -3.3775 -3.3717 -3.3710 -3.3599 -3.3245 -3.3218 -3.2612 -3.2537 -3.1560 -3.0898 -3.0572 -2.7910 -2.7748 -2.7170 -2.7123 -2.6997 -2.6916 -2.6639 -2.6588 -2.6562 -2.6401 -2.6349 -2.6253 -2.4555 -2.4550 -2.3855 -2.3749 -2.3358 -2.2468 0.8826 1.0410 1.0842 1.1674 1.8236 1.8423 2.3825 2.6824 2.8257 2.9363 3.0287 3.0638 3.2156 3.2372 3.4648 3.5445 3.5659 3.5985 3.6288 3.7290 4.0738 4.1129 4.5857 4.5860 5.9829 5.9859 6.0112 6.0288 6.3340 6.3340 6.4254 6.4268 6.7681 6.7683 7.7397 7.8216 8.5421 8.5429 8.8015 8.9270 9.0192 9.0380 k = 0.2429 0.2429-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8392 -5.8372 -5.4975 -5.4938 -5.4868 -5.4777 -5.4450 -5.4248 -3.4127 -3.3789 -3.3738 -3.3708 -3.3600 -3.3322 -3.3169 -3.2590 -3.2488 -3.1568 -3.0884 -3.0581 -2.7919 -2.7775 -2.7130 -2.7111 -2.7001 -2.6912 -2.6665 -2.6598 -2.6567 -2.6399 -2.6359 -2.6300 -2.4482 -2.4480 -2.3801 -2.3689 -2.3339 -2.2481 0.8681 1.0167 1.0587 1.1425 1.8219 1.8410 2.4186 2.7080 2.8602 2.9540 3.0910 3.1156 3.2131 3.2556 3.4425 3.5244 3.5385 3.5734 3.6072 3.7136 4.1181 4.1565 4.6003 4.6006 5.9676 5.9714 5.9958 6.0206 6.3208 6.3302 6.4429 6.4541 6.7736 6.7753 7.6806 7.7563 8.5151 8.5167 8.7479 8.8395 8.9529 8.9567 k = 0.2286 0.2286-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8541 -5.8524 -5.4913 -5.4876 -5.4809 -5.4718 -5.4426 -5.4230 -3.4130 -3.3804 -3.3767 -3.3700 -3.3599 -3.3394 -3.3114 -3.2565 -3.2440 -3.1576 -3.0871 -3.0595 -2.7926 -2.7801 -2.7100 -2.7096 -2.7005 -2.6901 -2.6691 -2.6615 -2.6563 -2.6397 -2.6366 -2.6342 -2.4410 -2.4404 -2.3751 -2.3628 -2.3321 -2.2501 0.8535 0.9920 1.0319 1.1154 1.8179 1.8360 2.4609 2.7376 2.8885 2.9709 3.1417 3.1574 3.2228 3.2806 3.4274 3.5010 3.5268 3.5500 3.5872 3.7031 4.1615 4.1982 4.6142 4.6150 5.9495 5.9565 5.9834 6.0109 6.3089 6.3234 6.4651 6.4825 6.7782 6.7815 7.6200 7.6890 8.4882 8.4924 8.6903 8.7573 8.8666 8.8780 k = 0.2143 0.2143-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8685 -5.8671 -5.4852 -5.4814 -5.4752 -5.4661 -5.4404 -5.4215 -3.4133 -3.3820 -3.3798 -3.3696 -3.3597 -3.3459 -3.3055 -3.2538 -3.2392 -3.1587 -3.0860 -3.0611 -2.7933 -2.7825 -2.7089 -2.7070 -2.7008 -2.6884 -2.6715 -2.6632 -2.6560 -2.6395 -2.6381 -2.6372 -2.4334 -2.4328 -2.3704 -2.3567 -2.3303 -2.2527 0.8389 0.9670 1.0040 1.0865 1.8120 1.8282 2.5081 2.7710 2.9122 2.9873 3.1650 3.1755 3.2661 3.3089 3.4185 3.4812 3.5245 3.5358 3.5690 3.6992 4.2038 4.2381 4.6278 4.6290 5.9318 5.9395 5.9722 5.9993 6.2989 6.3159 6.4896 6.5108 6.7821 6.7868 7.5580 7.6200 8.4623 8.4692 8.6318 8.6807 8.7839 8.7969 k = 0.2000 0.2000-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8823 -5.8811 -5.4793 -5.4754 -5.4695 -5.4605 -5.4384 -5.4203 -3.4135 -3.3837 -3.3829 -3.3700 -3.3595 -3.3512 -3.2995 -3.2509 -3.2346 -3.1599 -3.0851 -3.0631 -2.7938 -2.7847 -2.7079 -2.7053 -2.7010 -2.6862 -2.6738 -2.6647 -2.6559 -2.6413 -2.6394 -2.6375 -2.4256 -2.4251 -2.3661 -2.3506 -2.3285 -2.2558 0.8243 0.9419 0.9753 1.0559 1.8044 1.8181 2.5594 2.8077 2.9327 3.0031 3.1571 3.1953 3.3207 3.3292 3.4140 3.4667 3.5065 3.5526 3.5618 3.7043 4.2448 4.2764 4.6410 4.6424 5.9144 5.9219 5.9607 5.9857 6.2908 6.3089 6.5148 6.5385 6.7854 6.7914 7.4948 7.5497 8.4375 8.4472 8.5746 8.6100 8.7055 8.7185 k = 0.1857 0.1857-0.0000 ( 10405 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8954 -5.8945 -5.4735 -5.4695 -5.4640 -5.4551 -5.4367 -5.4194 -3.4135 -3.3858 -3.3853 -3.3716 -3.3593 -3.3550 -3.2931 -3.2478 -3.2301 -3.1613 -3.0845 -3.0654 -2.7942 -2.7866 -2.7070 -2.7041 -2.7011 -2.6838 -2.6759 -2.6659 -2.6562 -2.6436 -2.6393 -2.6375 -2.4176 -2.4176 -2.3620 -2.3445 -2.3267 -2.2594 0.8098 0.9172 0.9462 1.0242 1.7952 1.8065 2.6134 2.8469 2.9511 3.0184 3.1469 3.2065 3.3360 3.3700 3.4127 3.4563 3.4889 3.5381 3.6125 3.7213 4.2848 4.3135 4.6537 4.6553 5.8976 5.9043 5.9481 5.9701 6.2850 6.3028 6.5398 6.5646 6.7883 6.7954 7.4306 7.4783 8.4138 8.4264 8.5203 8.5454 8.6319 8.6445 k = 0.1714 0.1714-0.0000 ( 10413 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9078 -5.9071 -5.4679 -5.4639 -5.4587 -5.4500 -5.4351 -5.4188 -3.4134 -3.3885 -3.3870 -3.3744 -3.3591 -3.3571 -3.2866 -3.2445 -3.2259 -3.1629 -3.0840 -3.0678 -2.7945 -2.7883 -2.7061 -2.7034 -2.7011 -2.6816 -2.6780 -2.6669 -2.6570 -2.6451 -2.6394 -2.6375 -2.4101 -2.4095 -2.3582 -2.3386 -2.3247 -2.2633 0.7956 0.8930 0.9171 0.9918 1.7850 1.7939 2.6691 2.8878 2.9680 3.0330 3.1373 3.2123 3.3348 3.4047 3.4170 3.4487 3.4738 3.5255 3.6771 3.7518 4.3242 4.3498 4.6660 4.6675 5.8813 5.8870 5.9341 5.9526 6.2812 6.2979 6.5636 6.5885 6.7912 6.7991 7.3657 7.4063 8.3912 8.4065 8.4698 8.4869 8.5639 8.5756 k = 0.1571 0.1571-0.0000 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9195 -5.9190 -5.4625 -5.4586 -5.4537 -5.4452 -5.4335 -5.4183 -3.4132 -3.3911 -3.3887 -3.3781 -3.3589 -3.3581 -3.2799 -3.2410 -3.2219 -3.1648 -3.0838 -3.0703 -2.7947 -2.7898 -2.7053 -2.7029 -2.7010 -2.6803 -2.6799 -2.6674 -2.6579 -2.6456 -2.6394 -2.6373 -2.4029 -2.4015 -2.3545 -2.3329 -2.3227 -2.2673 0.7819 0.8695 0.8884 0.9591 1.7739 1.7807 2.7252 2.9291 2.9837 3.0468 3.1296 3.2142 3.3317 3.4114 3.4382 3.4430 3.4622 3.5149 3.7470 3.7948 4.3634 4.3860 4.6776 4.6791 5.8656 5.8705 5.9187 5.9335 6.2793 6.2943 6.5855 6.6093 6.7945 6.8026 7.3004 7.3340 8.3694 8.3872 8.4237 8.4345 8.5020 8.5124 k = 0.1429 0.1429-0.0000 ( 10411 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9304 -5.9300 -5.4575 -5.4537 -5.4489 -5.4407 -5.4321 -5.4181 -3.4129 -3.3936 -3.3904 -3.3820 -3.3588 -3.3584 -3.2731 -3.2374 -3.2182 -3.1669 -3.0837 -3.0729 -2.7948 -2.7910 -2.7045 -2.7026 -2.7007 -2.6816 -2.6799 -2.6682 -2.6582 -2.6456 -2.6395 -2.6371 -2.3960 -2.3938 -2.3508 -2.3274 -2.3206 -2.2716 0.7688 0.8470 0.8606 0.9266 1.7623 1.7673 2.7804 2.9696 2.9987 3.0597 3.1241 3.2129 3.3298 3.4135 3.4379 3.4547 3.4548 3.5062 3.8171 3.8461 4.4030 4.4226 4.6887 4.6899 5.8507 5.8547 5.9019 5.9133 6.2788 6.2919 6.6046 6.6263 6.7984 6.8061 7.2352 7.2623 8.3480 8.3674 8.3830 8.3887 8.4467 8.4550 k = 0.1286 0.1286-0.0000 ( 10419 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9404 -5.9401 -5.4528 -5.4492 -5.4444 -5.4366 -5.4307 -5.4180 -3.4125 -3.3959 -3.3921 -3.3858 -3.3587 -3.3586 -3.2662 -3.2338 -3.2149 -3.1693 -3.0839 -3.0754 -2.7948 -2.7920 -2.7039 -2.7023 -2.7002 -2.6832 -2.6802 -2.6696 -2.6574 -2.6453 -2.6396 -2.6370 -2.3894 -2.3866 -2.3469 -2.3223 -2.3185 -2.2759 0.7566 0.8256 0.8341 0.8950 1.7507 1.7543 2.8337 3.0075 3.0129 3.0719 3.1207 3.2091 3.3308 3.4156 3.4334 3.4515 3.4649 3.4992 3.8840 3.9007 4.4438 4.4603 4.6990 4.7000 5.8367 5.8398 5.8842 5.8924 6.2794 6.2903 6.6204 6.6391 6.8031 6.8100 7.1709 7.1919 8.3257 8.3414 8.3502 8.3522 8.3992 8.4038 k = 0.1143 0.1143-0.0000 ( 10415 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9495 -5.9493 -5.4485 -5.4452 -5.4402 -5.4329 -5.4293 -5.4180 -3.4120 -3.3979 -3.3938 -3.3892 -3.3586 -3.3585 -3.2592 -3.2301 -3.2119 -3.1721 -3.0842 -3.0778 -2.7948 -2.7928 -2.7033 -2.7021 -2.6995 -2.6847 -2.6810 -2.6716 -2.6556 -2.6448 -2.6396 -2.6369 -2.3833 -2.3802 -2.3427 -2.3177 -2.3165 -2.2802 0.7454 0.8057 0.8094 0.8646 1.7393 1.7417 2.8836 3.0268 3.0412 3.0832 3.1194 3.2031 3.3355 3.4183 3.4302 3.4512 3.4708 3.4936 3.9453 3.9543 4.4861 4.4994 4.7084 4.7092 5.8238 5.8261 5.8659 5.8715 6.2806 6.2893 6.6325 6.6474 6.8086 6.8142 7.1085 7.1241 8.3005 8.3107 8.3208 8.3278 8.3588 8.3614 k = 0.1000 0.1000-0.0000 ( 10413 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9576 -5.9574 -5.4446 -5.4419 -5.4363 -5.4297 -5.4279 -5.4182 -3.4113 -3.3996 -3.3955 -3.3922 -3.3585 -3.3585 -3.2523 -3.2265 -3.2095 -3.1752 -3.0847 -3.0801 -2.7948 -2.7933 -2.7027 -2.7018 -2.6986 -2.6860 -2.6820 -2.6739 -2.6534 -2.6442 -2.6397 -2.6369 -2.3778 -2.3747 -2.3380 -2.3146 -2.3137 -2.2842 0.7353 0.7869 0.7873 0.8360 1.7285 1.7301 2.9291 3.0404 3.0690 3.0939 3.1198 3.1956 3.3443 3.4218 3.4289 3.4528 3.4742 3.4889 3.9995 4.0039 4.5298 4.5401 4.7170 4.7174 5.8119 5.8136 5.8476 5.8511 6.2818 6.2884 6.6405 6.6515 6.8145 6.8188 7.0494 7.0602 8.2741 8.2831 8.2982 8.3003 8.3199 8.3336 k = 0.0857 0.0857-0.0000 ( 10405 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9647 -5.9646 -5.4413 -5.4391 -5.4327 -5.4269 -5.4264 -5.4183 -3.4106 -3.4011 -3.3973 -3.3947 -3.3585 -3.3584 -3.2454 -3.2230 -3.2075 -3.1787 -3.0852 -3.0822 -2.7947 -2.7938 -2.7022 -2.7016 -2.6976 -2.6871 -2.6832 -2.6763 -2.6512 -2.6436 -2.6397 -2.6370 -2.3728 -2.3702 -2.3330 -2.3128 -2.3103 -2.2881 0.7267 0.7670 0.7706 0.8096 1.7185 1.7195 2.9693 3.0537 3.0894 3.1043 3.1216 3.1866 3.3574 3.4265 3.4296 3.4554 3.4758 3.4848 4.0455 4.0474 4.5744 4.5817 4.7246 4.7247 5.8013 5.8026 5.8299 5.8319 6.2825 6.2872 6.6446 6.6519 6.8203 6.8234 6.9950 7.0020 8.2505 8.2597 8.2730 8.2780 8.2870 8.3103 k = 0.0714 0.0714-0.0000 ( 10393 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9708 -5.9707 -5.4384 -5.4369 -5.4296 -5.4249 -5.4246 -5.4185 -3.4098 -3.4024 -3.3990 -3.3969 -3.3584 -3.3584 -3.2385 -3.2196 -3.2060 -3.1824 -3.0857 -3.0839 -2.7946 -2.7940 -2.7018 -2.7013 -2.6964 -2.6880 -2.6843 -2.6786 -2.6490 -2.6429 -2.6397 -2.6372 -2.3684 -2.3666 -2.3277 -2.3112 -2.3076 -2.2916 0.7197 0.7500 0.7559 0.7859 1.7096 1.7102 3.0038 3.0666 3.1021 3.1147 3.1244 3.1765 3.3737 3.4319 3.4323 3.4585 3.4759 3.4809 4.0832 4.0839 4.6182 4.6229 4.7310 4.7310 5.7921 5.7930 5.8135 5.8144 6.2822 6.2853 6.6451 6.6495 6.8256 6.8277 6.9470 6.9512 8.2312 8.2402 8.2496 8.2586 8.2595 8.2869 k = 0.0571 0.0571-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9758 -5.9758 -5.4362 -5.4353 -5.4268 -5.4236 -5.4227 -5.4187 -3.4089 -3.4034 -3.4006 -3.3987 -3.3584 -3.3584 -3.2319 -3.2165 -3.2051 -3.1867 -3.0864 -3.0854 -2.7945 -2.7942 -2.7014 -2.7011 -2.6951 -2.6887 -2.6855 -2.6809 -2.6470 -2.6424 -2.6399 -2.6376 -2.3649 -2.3638 -2.3224 -2.3098 -2.3058 -2.2949 0.7144 0.7362 0.7431 0.7651 1.7021 1.7023 3.0326 3.0788 3.1096 3.1234 3.1277 3.1653 3.3918 3.4354 3.4389 3.4616 3.4747 3.4771 4.1128 4.1130 4.6591 4.6617 4.7362 4.7363 5.7844 5.7850 5.7990 5.7992 6.2807 6.2825 6.6427 6.6450 6.8300 6.8314 6.9071 6.9093 8.2161 8.2244 8.2309 8.2369 8.2407 8.2624 k = 0.0429 0.0429-0.0000 ( 10387 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9797 -5.9797 -5.4345 -5.4341 -5.4245 -5.4223 -5.4214 -5.4189 -3.4079 -3.4041 -3.4020 -3.4003 -3.3583 -3.3583 -3.2253 -3.2136 -3.2047 -3.1912 -3.0870 -3.0865 -2.7944 -2.7943 -2.7010 -2.7009 -2.6937 -2.6891 -2.6865 -2.6830 -2.6451 -2.6419 -2.6400 -2.6381 -2.3622 -2.3616 -2.3174 -2.3085 -2.3048 -2.2976 0.7111 0.7258 0.7326 0.7476 1.6960 1.6961 3.0567 3.0897 3.1138 3.1296 3.1311 3.1532 3.4098 3.4396 3.4454 3.4645 3.4720 3.4735 4.1350 4.1350 4.6947 4.6958 4.7403 4.7405 5.7784 5.7787 5.7869 5.7870 6.2782 6.2790 6.6386 6.6395 6.8334 6.8343 6.8761 6.8772 8.2053 8.2121 8.2167 8.2189 8.2253 8.2389 k = 0.0286 0.0286-0.0000 ( 10403 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9825 -5.9825 -5.4333 -5.4332 -5.4226 -5.4213 -5.4206 -5.4192 -3.4068 -3.4045 -3.4031 -3.4017 -3.3584 -3.3584 -3.2190 -3.2110 -3.2050 -3.1962 -3.0875 -3.0874 -2.7943 -2.7943 -2.7008 -2.7007 -2.6922 -2.6893 -2.6875 -2.6851 -2.6435 -2.6415 -2.6402 -2.6388 -2.3603 -2.3602 -2.3129 -2.3075 -2.3045 -2.3003 0.7100 0.7190 0.7243 0.7335 1.6916 1.6916 3.0771 3.0989 3.1153 3.1337 3.1340 3.1401 3.4264 3.4441 3.4508 3.4666 3.4674 3.4703 4.1503 4.1503 4.7222 4.7226 4.7432 4.7434 5.7739 5.7741 5.7778 5.7780 6.2753 6.2756 6.6340 6.6343 6.8357 6.8363 6.8545 6.8549 8.1983 8.2033 8.2053 8.2066 8.2137 8.2194 k = 0.0143 0.0143-0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9842 -5.9842 -5.4327 -5.4327 -5.4212 -5.4206 -5.4202 -5.4196 -3.4056 -3.4046 -3.4039 -3.4031 -3.3584 -3.3584 -3.2129 -3.2088 -3.2058 -3.2015 -3.0878 -3.0878 -2.7943 -2.7943 -2.7006 -2.7006 -2.6906 -2.6892 -2.6883 -2.6870 -2.6420 -2.6411 -2.6405 -2.6397 -2.3592 -2.3592 -2.3089 -2.3065 -2.3049 -2.3028 0.7114 0.7156 0.7186 0.7229 1.6889 1.6889 3.0950 3.1060 3.1143 3.1261 3.1360 3.1361 3.4406 3.4485 3.4533 3.4609 3.4676 3.4682 4.1592 4.1592 4.7397 4.7397 4.7450 4.7451 5.7713 5.7714 5.7723 5.7724 6.2730 6.2730 6.6306 6.6306 6.8371 6.8375 6.8418 6.8420 8.1949 8.1973 8.1977 8.1995 8.2063 8.2072 k = 0.0000 0.0000 0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9848 -5.9848 -5.4325 -5.4325 -5.4202 -5.4202 -5.4202 -5.4202 -3.4044 -3.4044 -3.4044 -3.4044 -3.3584 -3.3584 -3.2070 -3.2070 -3.2070 -3.2070 -3.0880 -3.0880 -2.7943 -2.7943 -2.7006 -2.7006 -2.6889 -2.6889 -2.6889 -2.6889 -2.6407 -2.6407 -2.6407 -2.6407 -2.3589 -2.3589 -2.3056 -2.3056 -2.3056 -2.3056 0.7156 0.7156 0.7156 0.7156 1.6879 1.6879 3.1112 3.1112 3.1112 3.1112 3.1368 3.1368 3.4521 3.4521 3.4521 3.4521 3.4678 3.4678 4.1622 4.1622 4.7457 4.7457 4.7457 4.7457 5.7705 5.7705 5.7705 5.7705 6.2721 6.2721 6.6293 6.6293 6.8377 6.8377 6.8377 6.8377 8.1952 8.1952 8.1952 8.1952 8.2037 8.2037 k = 0.0000 0.0000 0.0000 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9848 -5.9848 -5.4325 -5.4325 -5.4202 -5.4202 -5.4202 -5.4202 -3.4044 -3.4044 -3.4044 -3.4044 -3.3584 -3.3584 -3.2070 -3.2070 -3.2070 -3.2070 -3.0880 -3.0880 -2.7943 -2.7943 -2.7006 -2.7006 -2.6889 -2.6889 -2.6889 -2.6889 -2.6407 -2.6407 -2.6407 -2.6407 -2.3589 -2.3589 -2.3056 -2.3056 -2.3056 -2.3056 0.7156 0.7156 0.7156 0.7156 1.6879 1.6879 3.1112 3.1112 3.1112 3.1112 3.1368 3.1368 3.4521 3.4521 3.4521 3.4521 3.4678 3.4678 4.1622 4.1622 4.7457 4.7457 4.7457 4.7457 5.7705 5.7705 5.7705 5.7705 6.2721 6.2721 6.6293 6.6293 6.8377 6.8377 6.8377 6.8377 8.1952 8.1952 8.1952 8.1952 8.2037 8.2037 k = 0.0116 0.0116 0.0116 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9842 -5.9842 -5.4327 -5.4327 -5.4212 -5.4204 -5.4204 -5.4196 -3.4057 -3.4042 -3.4042 -3.4031 -3.3584 -3.3584 -3.2131 -3.2073 -3.2073 -3.2013 -3.0878 -3.0878 -2.7943 -2.7943 -2.7006 -2.7006 -2.6906 -2.6887 -2.6887 -2.6870 -2.6420 -2.6408 -2.6408 -2.6396 -2.3592 -2.3592 -2.3090 -2.3057 -2.3057 -2.3027 0.7113 0.7171 0.7171 0.7230 1.6888 1.6888 3.0946 3.1101 3.1101 3.1266 3.1360 3.1360 3.4403 3.4510 3.4510 3.4612 3.4678 3.4678 4.1593 4.1593 4.7396 4.7396 4.7452 4.7453 5.7718 5.7718 5.7718 5.7720 6.2730 6.2730 6.6306 6.6306 6.8374 6.8378 6.8416 6.8416 8.1950 8.1974 8.1974 8.1998 8.2066 8.2066 k = 0.0233 0.0233 0.0233 ( 10401 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9825 -5.9825 -5.4332 -5.4332 -5.4226 -5.4209 -5.4209 -5.4193 -3.4069 -3.4038 -3.4038 -3.4017 -3.3584 -3.3584 -3.2194 -3.2080 -3.2080 -3.1958 -3.0874 -3.0874 -2.7943 -2.7943 -2.7008 -2.7008 -2.6923 -2.6884 -2.6884 -2.6850 -2.6436 -2.6408 -2.6408 -2.6388 -2.3602 -2.3602 -2.3129 -2.3059 -2.3059 -2.3005 0.7101 0.7216 0.7216 0.7335 1.6915 1.6915 3.0767 3.1067 3.1067 3.1340 3.1340 3.1409 3.4260 3.4482 3.4482 3.4678 3.4678 3.4678 4.1503 4.1503 4.7219 4.7219 4.7439 4.7441 5.7757 5.7757 5.7760 5.7763 6.2754 6.2754 6.6342 6.6342 6.8370 6.8376 6.8532 6.8532 8.1990 8.2040 8.2040 8.2086 8.2151 8.2151 k = 0.0349 0.0349 0.0349 ( 10383 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9797 -5.9797 -5.4342 -5.4342 -5.4243 -5.4218 -5.4218 -5.4193 -3.4080 -3.4029 -3.4029 -3.4002 -3.3583 -3.3583 -3.2258 -3.2092 -3.2092 -3.1905 -3.0868 -3.0868 -2.7943 -2.7943 -2.7009 -2.7009 -2.6939 -2.6877 -2.6877 -2.6830 -2.6452 -2.6409 -2.6409 -2.6380 -2.3619 -2.3619 -2.3173 -2.3061 -2.3061 -2.2987 0.7119 0.7290 0.7290 0.7469 1.6960 1.6960 3.0574 3.1004 3.1004 3.1307 3.1307 3.1539 3.4095 3.4447 3.4447 3.4674 3.4674 3.4723 4.1350 4.1350 4.6942 4.6942 4.7419 4.7420 5.7822 5.7822 5.7829 5.7835 6.2784 6.2784 6.6395 6.6395 6.8362 6.8371 6.8731 6.8731 8.2068 8.2145 8.2145 8.2211 8.2288 8.2288 k = 0.0465 0.0465 0.0465 ( 10401 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9758 -5.9758 -5.4355 -5.4355 -5.4263 -5.4231 -5.4231 -5.4198 -3.4092 -3.4018 -3.4018 -3.3988 -3.3584 -3.3584 -3.2326 -3.2108 -3.2108 -3.1857 -3.0860 -3.0860 -2.7943 -2.7943 -2.7013 -2.7013 -2.6953 -2.6869 -2.6869 -2.6809 -2.6472 -2.6411 -2.6411 -2.6375 -2.3642 -2.3642 -2.3223 -2.3066 -2.3066 -2.2976 0.7165 0.7392 0.7392 0.7633 1.7020 1.7020 3.0365 3.0905 3.0905 3.1264 3.1264 3.1652 3.3917 3.4414 3.4414 3.4667 3.4667 3.4753 4.1126 4.1126 4.6590 4.6590 4.7390 4.7392 5.7909 5.7909 5.7923 5.7931 6.2809 6.2809 6.6454 6.6454 6.8350 6.8361 6.9013 6.9013 8.2178 8.2283 8.2283 8.2361 8.2472 8.2472 k = 0.0581 0.0581 0.0581 ( 10401 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9708 -5.9708 -5.4372 -5.4372 -5.4286 -5.4246 -5.4246 -5.4205 -3.4102 -3.4003 -3.4003 -3.3973 -3.3584 -3.3584 -3.2395 -3.2128 -3.2128 -3.1811 -3.0850 -3.0850 -2.7943 -2.7943 -2.7016 -2.7016 -2.6966 -2.6859 -2.6859 -2.6789 -2.6493 -2.6412 -2.6412 -2.6371 -2.3671 -2.3671 -2.3275 -2.3071 -2.3071 -2.2970 0.7240 0.7519 0.7519 0.7823 1.7094 1.7094 3.0139 3.0765 3.0765 3.1210 3.1210 3.1737 3.3742 3.4394 3.4394 3.4659 3.4659 3.4773 4.0824 4.0824 4.6192 4.6192 4.7351 4.7357 5.8018 5.8018 5.8039 5.8049 6.2821 6.2821 6.6510 6.6510 6.8332 6.8344 6.9373 6.9373 8.2312 8.2444 8.2444 8.2525 8.2698 8.2698 k = 0.0698 0.0698 0.0698 ( 10395 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9648 -5.9648 -5.4392 -5.4392 -5.4313 -5.4266 -5.4266 -5.4217 -3.4112 -3.3985 -3.3985 -3.3956 -3.3585 -3.3585 -3.2466 -3.2151 -3.2151 -3.1769 -3.0838 -3.0838 -2.7942 -2.7942 -2.7020 -2.7020 -2.6977 -2.6847 -2.6847 -2.6768 -2.6515 -2.6414 -2.6414 -2.6368 -2.3707 -2.3707 -2.3331 -2.3077 -2.3077 -2.2969 0.7339 0.7671 0.7671 0.8037 1.7181 1.7181 2.9897 3.0586 3.0586 3.1140 3.1140 3.1780 3.3592 3.4391 3.4391 3.4658 3.4658 3.4790 4.0437 4.0437 4.5777 4.5777 4.7303 4.7315 5.8146 5.8146 5.8174 5.8187 6.2816 6.2816 6.6556 6.6556 6.8307 6.8318 6.9801 6.9801 8.2466 8.2620 8.2620 8.2691 8.2962 8.2962 k = 0.0814 0.0814 0.0814 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9577 -5.9577 -5.4415 -5.4415 -5.4342 -5.4288 -5.4288 -5.4231 -3.4121 -3.3963 -3.3963 -3.3940 -3.3586 -3.3586 -3.2538 -3.2178 -3.2178 -3.1730 -3.0827 -3.0827 -2.7941 -2.7941 -2.7024 -2.7024 -2.6987 -2.6833 -2.6833 -2.6750 -2.6538 -2.6417 -2.6417 -2.6367 -2.3748 -2.3748 -2.3391 -2.3084 -2.3084 -2.2974 0.7460 0.7843 0.7843 0.8272 1.7277 1.7277 2.9641 3.0367 3.0367 3.1050 3.1050 3.1761 3.3494 3.4411 3.4411 3.4670 3.4670 3.4810 3.9961 3.9961 4.5370 4.5370 4.7246 4.7267 5.8288 5.8288 5.8325 5.8341 6.2794 6.2794 6.6588 6.6588 6.8274 6.8283 7.0277 7.0277 8.2635 8.2801 8.2801 8.2853 8.3263 8.3263 k = 0.0930 0.0930 0.0930 ( 10407 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9496 -5.9496 -5.4442 -5.4442 -5.4374 -5.4314 -5.4314 -5.4249 -3.4130 -3.3937 -3.3937 -3.3923 -3.3586 -3.3586 -3.2612 -3.2206 -3.2206 -3.1695 -3.0815 -3.0815 -2.7939 -2.7939 -2.7028 -2.7028 -2.6996 -2.6817 -2.6817 -2.6736 -2.6558 -2.6419 -2.6419 -2.6367 -2.3795 -2.3795 -2.3452 -2.3091 -2.3091 -2.2983 0.7601 0.8032 0.8032 0.8525 1.7379 1.7379 2.9374 3.0115 3.0115 3.0938 3.0938 3.1667 3.3469 3.4451 3.4451 3.4703 3.4703 3.4837 3.9399 3.9399 4.4990 4.4990 4.7180 4.7212 5.8442 5.8442 5.8489 5.8507 6.2758 6.2758 6.6607 6.6607 6.8230 6.8237 7.0780 7.0780 8.2814 8.2984 8.2984 8.3011 8.3599 8.3599 k = 0.1047 0.1047 0.1047 ( 10422 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9406 -5.9406 -5.4472 -5.4472 -5.4408 -5.4342 -5.4342 -5.4271 -3.4138 -3.3909 -3.3909 -3.3906 -3.3588 -3.3588 -3.2686 -3.2236 -3.2236 -3.1664 -3.0803 -3.0803 -2.7936 -2.7936 -2.7033 -2.7033 -2.7004 -2.6799 -2.6799 -2.6731 -2.6572 -2.6422 -2.6422 -2.6368 -2.3845 -2.3845 -2.3515 -2.3099 -2.3099 -2.2997 0.7758 0.8235 0.8235 0.8792 1.7482 1.7482 2.9101 2.9834 2.9834 3.0805 3.0805 3.1505 3.3518 3.4505 3.4505 3.4767 3.4767 3.4876 3.8763 3.8763 4.4645 4.4645 4.7108 4.7150 5.8606 5.8606 5.8663 5.8682 6.2711 6.2711 6.6612 6.6612 6.8177 6.8180 7.1288 7.1288 8.3003 8.3166 8.3169 8.3169 8.3969 8.3969 k = 0.1163 0.1163 0.1163 ( 10416 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9307 -5.9307 -5.4504 -5.4504 -5.4445 -5.4374 -5.4374 -5.4295 -3.4145 -3.3888 -3.3878 -3.3878 -3.3588 -3.3588 -3.2760 -3.2266 -3.2266 -3.1635 -3.0791 -3.0791 -2.7931 -2.7931 -2.7038 -2.7038 -2.7009 -2.6780 -2.6780 -2.6739 -2.6574 -2.6424 -2.6424 -2.6369 -2.3900 -2.3900 -2.3578 -2.3106 -2.3106 -2.3014 0.7926 0.8447 0.8447 0.9066 1.7583 1.7583 2.8829 2.9532 2.9532 3.0650 3.0650 3.1296 3.3627 3.4561 3.4561 3.4869 3.4869 3.4929 3.8076 3.8076 4.4337 4.4337 4.7028 4.7083 5.8776 5.8776 5.8845 5.8864 6.2658 6.2658 6.6605 6.6605 6.8111 6.8113 7.1784 7.1784 8.3200 8.3321 8.3356 8.3356 8.4373 8.4373 k = 0.1279 0.1279 0.1279 ( 10413 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9198 -5.9198 -5.4539 -5.4539 -5.4484 -5.4408 -5.4408 -5.4323 -3.4151 -3.3869 -3.3844 -3.3844 -3.3589 -3.3589 -3.2834 -3.2297 -3.2297 -3.1611 -3.0780 -3.0780 -2.7926 -2.7926 -2.7043 -2.7043 -2.7014 -2.6761 -2.6758 -2.6758 -2.6564 -2.6425 -2.6425 -2.6370 -2.3958 -2.3958 -2.3642 -2.3113 -2.3113 -2.3036 0.8101 0.8662 0.8662 0.9343 1.7675 1.7675 2.8567 2.9215 2.9215 3.0477 3.0477 3.1067 3.3781 3.4603 3.4603 3.4997 3.5010 3.5010 3.7371 3.7371 4.4064 4.4064 4.6941 4.7010 5.8949 5.8949 5.9031 5.9050 6.2601 6.2601 6.6587 6.6587 6.8032 6.8040 7.2250 7.2250 8.3403 8.3477 8.3543 8.3543 8.4807 8.4807 k = 0.1395 0.1395 0.1395 ( 10416 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.9082 -5.9082 -5.4577 -5.4577 -5.4525 -5.4445 -5.4445 -5.4353 -3.4157 -3.3851 -3.3810 -3.3810 -3.3588 -3.3588 -3.2907 -3.2327 -3.2327 -3.1590 -3.0770 -3.0770 -2.7920 -2.7920 -2.7049 -2.7049 -2.7018 -2.6793 -2.6734 -2.6734 -2.6547 -2.6426 -2.6426 -2.6372 -2.4018 -2.4018 -2.3704 -2.3120 -2.3120 -2.3061 0.8278 0.8877 0.8877 0.9617 1.7753 1.7753 2.8323 2.8888 2.8888 3.0291 3.0291 3.0836 3.3967 3.4602 3.4602 3.5081 3.5179 3.5179 3.6710 3.6710 4.3821 4.3821 4.6850 4.6931 5.9124 5.9124 5.9220 5.9236 6.2545 6.2545 6.6560 6.6560 6.7944 6.7958 7.2676 7.2676 8.3611 8.3634 8.3733 8.3733 8.5269 8.5269 k = 0.1512 0.1512 0.1512 ( 10419 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8959 -5.8959 -5.4617 -5.4617 -5.4568 -5.4484 -5.4484 -5.4386 -3.4163 -3.3832 -3.3775 -3.3775 -3.3585 -3.3585 -3.2980 -3.2357 -3.2357 -3.1573 -3.0761 -3.0761 -2.7913 -2.7913 -2.7055 -2.7055 -2.7021 -2.6831 -2.6708 -2.6708 -2.6524 -2.6427 -2.6427 -2.6374 -2.4080 -2.4080 -2.3766 -2.3127 -2.3127 -2.3088 0.8453 0.9083 0.9083 0.9880 1.7810 1.7810 2.8107 2.8555 2.8555 3.0093 3.0093 3.0620 3.4177 3.4489 3.4489 3.5182 3.5356 3.5356 3.6209 3.6209 4.3601 4.3601 4.6753 4.6848 5.9298 5.9298 5.9409 5.9422 6.2491 6.2491 6.6526 6.6526 6.7849 6.7869 7.3052 7.3052 8.3791 8.3823 8.3923 8.3923 8.5753 8.5753 k = 0.1628 0.1628 0.1628 ( 10413 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8828 -5.8828 -5.4658 -5.4658 -5.4612 -5.4525 -5.4525 -5.4421 -3.4168 -3.3812 -3.3744 -3.3744 -3.3576 -3.3576 -3.3052 -3.2385 -3.2385 -3.1560 -3.0753 -3.0753 -2.7904 -2.7904 -2.7061 -2.7061 -2.7024 -2.6872 -2.6679 -2.6679 -2.6500 -2.6426 -2.6426 -2.6376 -2.4144 -2.4144 -2.3826 -2.3132 -2.3132 -2.3118 0.8621 0.9277 0.9277 1.0125 1.7839 1.7839 2.7929 2.8212 2.8212 2.9889 2.9889 3.0431 3.4173 3.4173 3.4407 3.5298 3.5493 3.5493 3.6030 3.6030 4.3402 4.3402 4.6653 4.6760 5.9470 5.9470 5.9598 5.9604 6.2443 6.2443 6.6488 6.6488 6.7747 6.7774 7.3376 7.3376 8.3946 8.4036 8.4112 8.4112 8.6255 8.6255 k = 0.1744 0.1744 0.1744 ( 10419 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8692 -5.8692 -5.4701 -5.4701 -5.4657 -5.4568 -5.4568 -5.4459 -3.4173 -3.3793 -3.3721 -3.3721 -3.3557 -3.3557 -3.3122 -3.2411 -3.2411 -3.1552 -3.0747 -3.0747 -2.7894 -2.7894 -2.7069 -2.7069 -2.7025 -2.6917 -2.6648 -2.6648 -2.6474 -2.6423 -2.6423 -2.6378 -2.4208 -2.4208 -2.3884 -2.3151 -2.3138 -2.3138 0.8775 0.9453 0.9453 1.0345 1.7832 1.7832 2.7800 2.7849 2.7849 2.9682 2.9682 3.0279 3.3709 3.3709 3.4652 3.5428 3.5586 3.5586 3.6157 3.6157 4.3219 4.3219 4.6550 4.6669 5.9639 5.9639 5.9783 5.9784 6.2401 6.2401 6.6446 6.6446 6.7642 6.7677 7.3647 7.3647 8.4095 8.4248 8.4296 8.4296 8.6767 8.6767 k = 0.1860 0.1860 0.1860 ( 10417 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8550 -5.8550 -5.4746 -5.4746 -5.4703 -5.4612 -5.4612 -5.4499 -3.4177 -3.3773 -3.3709 -3.3709 -3.3525 -3.3525 -3.3190 -3.2435 -3.2435 -3.1547 -3.0742 -3.0742 -2.7884 -2.7884 -2.7077 -2.7077 -2.7027 -2.6963 -2.6614 -2.6614 -2.6446 -2.6419 -2.6419 -2.6379 -2.4272 -2.4272 -2.3939 -2.3185 -2.3142 -2.3142 0.8913 0.9604 0.9604 1.0534 1.7784 1.7784 2.7446 2.7446 2.7729 2.9486 2.9486 3.0173 3.3241 3.3241 3.4912 3.5573 3.5695 3.5695 3.6412 3.6412 4.3049 4.3049 4.6446 4.6574 5.9802 5.9802 5.9955 5.9966 6.2367 6.2367 6.6403 6.6403 6.7535 6.7577 7.3866 7.3866 8.4234 8.4453 8.4473 8.4473 8.7282 8.7282 k = 0.1977 0.1977 0.1977 ( 10423 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3673 -36.3673 -36.3673 -36.3673 -5.8403 -5.8403 -5.4792 -5.4792 -5.4750 -5.4658 -5.4658 -5.4540 -3.4180 -3.3754 -3.3708 -3.3708 -3.3482 -3.3482 -3.3255 -3.2456 -3.2456 -3.1546 -3.0739 -3.0739 -2.7873 -2.7873 -2.7086 -2.7086 -2.7028 -2.7010 -2.6579 -2.6579 -2.6419 -2.6411 -2.6411 -2.6380 -2.4336 -2.4336 -2.3992 -2.3221 -2.3146 -2.3146 0.9028 0.9726 0.9726 1.0684 1.7687 1.7687 2.6974 2.6974 2.7724 2.9322 2.9322 3.0118 3.2859 3.2859 3.5183 3.5729 3.5832 3.5832 3.6719 3.6719 4.2893 4.2893 4.6340 4.6477 5.9959 5.9959 6.0120 6.0143 6.2342 6.2342 6.6361 6.6361 6.7429 6.7479 7.4038 7.4038 8.4357 8.4635 8.4635 8.4648 8.7794 8.7794 k = 0.2093 0.2093 0.2093 ( 10417 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8252 -5.8252 -5.4838 -5.4838 -5.4797 -5.4705 -5.4705 -5.4584 -3.4183 -3.3735 -3.3714 -3.3714 -3.3430 -3.3430 -3.3317 -3.2473 -3.2473 -3.1550 -3.0738 -3.0738 -2.7861 -2.7861 -2.7096 -2.7096 -2.7057 -2.7029 -2.6541 -2.6541 -2.6399 -2.6399 -2.6391 -2.6380 -2.4399 -2.4399 -2.4041 -2.3258 -2.3149 -2.3149 0.9118 0.9816 0.9816 1.0791 1.7538 1.7538 2.6414 2.6414 2.7792 2.9219 2.9219 3.0121 3.2601 3.2601 3.5466 3.5897 3.5989 3.5989 3.7056 3.7056 4.2747 4.2747 4.6234 4.6378 6.0108 6.0108 6.0277 6.0314 6.2328 6.2328 6.6322 6.6322 6.7325 6.7384 7.4167 7.4167 8.4457 8.4777 8.4777 8.4824 8.8295 8.8295 k = 0.2209 0.2209 0.2209 ( 10414 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.8099 -5.8099 -5.4886 -5.4886 -5.4844 -5.4753 -5.4753 -5.4628 -3.4185 -3.3724 -3.3724 -3.3718 -3.3375 -3.3373 -3.3373 -3.2486 -3.2486 -3.1558 -3.0738 -3.0738 -2.7850 -2.7850 -2.7107 -2.7107 -2.7103 -2.7030 -2.6504 -2.6504 -2.6381 -2.6381 -2.6379 -2.6364 -2.4460 -2.4460 -2.4087 -2.3295 -2.3150 -2.3150 0.9180 0.9870 0.9870 1.0852 1.7334 1.7334 2.5762 2.5762 2.7938 2.9199 2.9199 3.0184 3.2471 3.2471 3.5758 3.6075 3.6160 3.6160 3.7415 3.7415 4.2613 4.2613 4.6129 4.6278 6.0250 6.0250 6.0425 6.0477 6.2325 6.2325 6.6288 6.6288 6.7225 6.7293 7.4260 7.4260 8.4525 8.4890 8.4890 8.4974 8.8780 8.8780 k = 0.2326 0.2326 0.2326 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7943 -5.7943 -5.4933 -5.4933 -5.4891 -5.4802 -5.4802 -5.4674 -3.4187 -3.3739 -3.3739 -3.3702 -3.3427 -3.3313 -3.3313 -3.2494 -3.2494 -3.1571 -3.0739 -3.0739 -2.7838 -2.7838 -2.7149 -2.7119 -2.7119 -2.7032 -2.6470 -2.6470 -2.6376 -2.6352 -2.6352 -2.6336 -2.4519 -2.4519 -2.4129 -2.3335 -2.3151 -2.3151 0.9213 0.9887 0.9887 1.0865 1.7074 1.7074 2.5036 2.5036 2.8164 2.9271 2.9271 3.0310 3.2457 3.2457 3.6060 3.6261 3.6339 3.6339 3.7790 3.7790 4.2490 4.2490 4.6025 4.6177 6.0383 6.0383 6.0562 6.0632 6.2333 6.2333 6.6260 6.6260 6.7132 6.7209 7.4320 7.4320 8.4550 8.4963 8.4963 8.5088 8.9244 8.9244 k = 0.2442 0.2442 0.2442 ( 10390 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7785 -5.7785 -5.4981 -5.4981 -5.4938 -5.4851 -5.4851 -5.4720 -3.4188 -3.3755 -3.3755 -3.3693 -3.3469 -3.3251 -3.3251 -3.2497 -3.2497 -3.1587 -3.0742 -3.0742 -2.7828 -2.7828 -2.7192 -2.7131 -2.7131 -2.7034 -2.6442 -2.6442 -2.6373 -2.6311 -2.6311 -2.6309 -2.4575 -2.4575 -2.4168 -2.3374 -2.3150 -2.3150 0.9215 0.9869 0.9869 1.0831 1.6759 1.6759 2.4260 2.4260 2.8469 2.9436 2.9436 3.0498 3.2541 3.2541 3.6370 3.6454 3.6524 3.6524 3.8180 3.8180 4.2378 4.2378 4.5925 4.6077 6.0506 6.0506 6.0689 6.0777 6.2355 6.2355 6.6239 6.6239 6.7045 6.7133 7.4353 7.4353 8.4520 8.4983 8.4983 8.5151 8.9680 8.9680 k = 0.2558 0.2558 0.2558 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7628 -5.7628 -5.5029 -5.5029 -5.4985 -5.4900 -5.4900 -5.4767 -3.4188 -3.3774 -3.3774 -3.3692 -3.3498 -3.3188 -3.3188 -3.2494 -3.2494 -3.1609 -3.0746 -3.0746 -2.7818 -2.7818 -2.7233 -2.7144 -2.7144 -2.7037 -2.6420 -2.6420 -2.6368 -2.6282 -2.6256 -2.6256 -2.4629 -2.4629 -2.4203 -2.3414 -2.3148 -2.3148 0.9188 0.9815 0.9815 1.0753 1.6392 1.6392 2.3459 2.3459 2.8852 2.9685 2.9685 3.0746 3.2708 3.2708 3.6654 3.6689 3.6711 3.6711 3.8581 3.8581 4.2279 4.2279 4.5828 4.5977 6.0620 6.0620 6.0804 6.0912 6.2391 6.2391 6.6227 6.6227 6.6967 6.7068 7.4364 7.4364 8.4424 8.4938 8.4938 8.5150 9.0082 9.0082 k = 0.2674 0.2674 0.2674 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7470 -5.7470 -5.5076 -5.5076 -5.5030 -5.4949 -5.4949 -5.4814 -3.4189 -3.3795 -3.3795 -3.3707 -3.3509 -3.3128 -3.3128 -3.2484 -3.2484 -3.1635 -3.0752 -3.0752 -2.7811 -2.7811 -2.7272 -2.7159 -2.7159 -2.7041 -2.6400 -2.6400 -2.6362 -2.6257 -2.6193 -2.6193 -2.4679 -2.4679 -2.4234 -2.3454 -2.3146 -2.3146 0.9132 0.9729 0.9729 1.0634 1.5974 1.5974 2.2654 2.2654 2.9307 3.0012 3.0012 3.1052 3.2941 3.2941 3.6859 3.6899 3.6899 3.7014 3.8989 3.8989 4.2195 4.2195 4.5736 4.5880 6.0724 6.0724 6.0908 6.1036 6.2441 6.2441 6.6223 6.6223 6.6897 6.7013 7.4356 7.4356 8.4248 8.4812 8.4812 8.5069 9.0440 9.0440 k = 0.2791 0.2791 0.2791 ( 10390 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7314 -5.7314 -5.5122 -5.5122 -5.5075 -5.4997 -5.4997 -5.4862 -3.4190 -3.3818 -3.3818 -3.3734 -3.3505 -3.3070 -3.3070 -3.2467 -3.2467 -3.1665 -3.0760 -3.0760 -2.7805 -2.7805 -2.7308 -2.7174 -2.7174 -2.7047 -2.6382 -2.6382 -2.6354 -2.6234 -2.6122 -2.6122 -2.4725 -2.4725 -2.4262 -2.3494 -2.3142 -2.3142 0.9052 0.9615 0.9615 1.0481 1.5512 1.5512 2.1861 2.1861 2.9828 3.0405 3.0405 3.1411 3.3231 3.3231 3.7067 3.7085 3.7085 3.7347 3.9403 3.9403 4.2126 4.2126 4.5649 4.5784 6.0818 6.0818 6.1000 6.1147 6.2508 6.2508 6.6227 6.6227 6.6837 6.6970 7.4333 7.4333 8.3981 8.4591 8.4591 8.4892 9.0744 9.0744 k = 0.2907 0.2907 0.2907 ( 10369 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7160 -5.7160 -5.5168 -5.5168 -5.5118 -5.5045 -5.5045 -5.4909 -3.4189 -3.3841 -3.3841 -3.3767 -3.3489 -3.3016 -3.3016 -3.2440 -3.2440 -3.1699 -3.0768 -3.0768 -2.7801 -2.7801 -2.7340 -2.7189 -2.7189 -2.7054 -2.6363 -2.6363 -2.6345 -2.6210 -2.6044 -2.6044 -2.4766 -2.4766 -2.4286 -2.3534 -2.3136 -2.3136 0.8949 0.9476 0.9476 1.0298 1.5008 1.5008 2.1093 2.1093 3.0409 3.0855 3.0855 3.1815 3.3567 3.3567 3.7268 3.7268 3.7279 3.7686 3.9818 3.9818 4.2076 4.2076 4.5570 4.5691 6.0902 6.0902 6.1080 6.1247 6.2592 6.2592 6.6241 6.6241 6.6785 6.6939 7.4297 7.4297 8.3615 8.4264 8.4264 8.4605 9.0980 9.0980 k = 0.3023 0.3023 0.3023 ( 10363 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7009 -5.7009 -5.5212 -5.5212 -5.5159 -5.5091 -5.5091 -5.4956 -3.4189 -3.3865 -3.3865 -3.3802 -3.3467 -3.2969 -3.2969 -3.2405 -3.2405 -3.1738 -3.0778 -3.0778 -2.7799 -2.7799 -2.7369 -2.7204 -2.7204 -2.7061 -2.6344 -2.6344 -2.6335 -2.6188 -2.5962 -2.5962 -2.4801 -2.4801 -2.4307 -2.3574 -2.3130 -2.3130 0.8827 0.9317 0.9317 1.0093 1.4469 1.4469 2.0361 2.0361 3.1039 3.1349 3.1349 3.2259 3.3940 3.3940 3.7447 3.7447 3.7493 3.8032 4.0229 4.0229 4.2050 4.2050 4.5500 4.5603 6.0977 6.0977 6.1149 6.1335 6.2693 6.2693 6.6262 6.6262 6.6742 6.6920 7.4252 7.4252 8.3149 8.3827 8.3827 8.4199 9.1131 9.1131 k = 0.3140 0.3140 0.3140 ( 10387 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6862 -5.6862 -5.5255 -5.5255 -5.5199 -5.5137 -5.5137 -5.5002 -3.4188 -3.3890 -3.3890 -3.3837 -3.3442 -3.2928 -3.2928 -3.2360 -3.2360 -3.1781 -3.0790 -3.0790 -2.7800 -2.7800 -2.7395 -2.7219 -2.7219 -2.7071 -2.6325 -2.6325 -2.6324 -2.6169 -2.5878 -2.5878 -2.4830 -2.4830 -2.4324 -2.3615 -2.3123 -2.3123 0.8691 0.9142 0.9142 0.9870 1.3899 1.3899 1.9670 1.9670 3.1711 3.1875 3.1875 3.2733 3.4345 3.4345 3.7622 3.7622 3.7710 3.8384 4.0625 4.0625 4.2054 4.2054 4.5440 4.5519 6.1043 6.1043 6.1208 6.1410 6.2814 6.2814 6.6289 6.6289 6.6705 6.6911 7.4197 7.4197 8.2583 8.3277 8.3277 8.3672 9.1180 9.1180 k = 0.3256 0.3256 0.3256 ( 10381 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6719 -5.6719 -5.5297 -5.5297 -5.5237 -5.5181 -5.5181 -5.5047 -3.4187 -3.3914 -3.3914 -3.3870 -3.3413 -3.2893 -3.2893 -3.2307 -3.2307 -3.1827 -3.0803 -3.0803 -2.7802 -2.7802 -2.7416 -2.7234 -2.7234 -2.7082 -2.6312 -2.6305 -2.6305 -2.6150 -2.5793 -2.5793 -2.4849 -2.4849 -2.4337 -2.3655 -2.3115 -2.3115 0.8544 0.8957 0.8957 0.9636 1.3308 1.3308 1.9025 1.9025 3.2413 3.2421 3.2421 3.3229 3.4773 3.4773 3.7794 3.7794 3.7930 3.8741 4.0991 4.0991 4.2106 4.2106 4.5392 4.5442 6.1102 6.1102 6.1257 6.1474 6.2955 6.2955 6.6322 6.6322 6.6674 6.6913 7.4136 7.4136 8.1928 8.2624 8.2624 8.3031 9.1113 9.1113 k = 0.3372 0.3372 0.3372 ( 10363 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6582 -5.6582 -5.5336 -5.5336 -5.5273 -5.5224 -5.5224 -5.5091 -3.4186 -3.3938 -3.3938 -3.3902 -3.3382 -3.2864 -3.2864 -3.2246 -3.2246 -3.1876 -3.0816 -3.0816 -2.7806 -2.7806 -2.7433 -2.7248 -2.7248 -2.7093 -2.6298 -2.6285 -2.6285 -2.6133 -2.5710 -2.5710 -2.4857 -2.4857 -2.4346 -2.3694 -2.3105 -2.3105 0.8390 0.8765 0.8765 0.9396 1.2701 1.2701 1.8428 1.8428 3.2973 3.2973 3.3135 3.3736 3.5217 3.5217 3.7966 3.7966 3.8155 3.9104 4.1295 4.1295 4.2233 4.2233 4.5359 4.5372 6.1154 6.1154 6.1298 6.1528 6.3116 6.3116 6.6357 6.6357 6.6645 6.6922 7.4069 7.4069 8.1197 8.1879 8.1879 8.2287 9.0922 9.0922 k = 0.3488 0.3488 0.3488 ( 10375 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6451 -5.6451 -5.5374 -5.5374 -5.5307 -5.5264 -5.5264 -5.5134 -3.4185 -3.3962 -3.3962 -3.3931 -3.3348 -3.2841 -3.2841 -3.2181 -3.2181 -3.1928 -3.0832 -3.0832 -2.7812 -2.7812 -2.7446 -2.7261 -2.7261 -2.7107 -2.6284 -2.6265 -2.6265 -2.6118 -2.5636 -2.5636 -2.4852 -2.4852 -2.4353 -2.3733 -2.3095 -2.3095 0.8232 0.8571 0.8571 0.9154 1.2088 1.2088 1.7879 1.7879 3.3519 3.3519 3.3865 3.4245 3.5669 3.5669 3.8142 3.8142 3.8387 3.9470 4.1508 4.1508 4.2463 4.2463 4.5310 4.5342 6.1201 6.1201 6.1332 6.1572 6.3298 6.3298 6.6393 6.6393 6.6617 6.6936 7.3995 7.3995 8.0406 8.1062 8.1062 8.1459 9.0606 9.0606 k = 0.3605 0.3605 0.3605 ( 10393 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6327 -5.6327 -5.5409 -5.5409 -5.5338 -5.5302 -5.5302 -5.5175 -3.4183 -3.3985 -3.3985 -3.3958 -3.3313 -3.2821 -3.2821 -3.2113 -3.2113 -3.1983 -3.0850 -3.0850 -2.7819 -2.7819 -2.7456 -2.7274 -2.7274 -2.7121 -2.6270 -2.6246 -2.6246 -2.6105 -2.5572 -2.5572 -2.4831 -2.4831 -2.4357 -2.3772 -2.3085 -2.3085 0.8076 0.8377 0.8377 0.8914 1.1478 1.1478 1.7379 1.7379 3.4045 3.4045 3.4586 3.4746 3.6116 3.6116 3.8334 3.8334 3.8631 3.9837 4.1644 4.1644 4.2780 4.2780 4.5259 4.5344 6.1244 6.1244 6.1360 6.1607 6.3500 6.3500 6.6426 6.6426 6.6586 6.6952 7.3917 7.3917 7.9576 8.0192 8.0192 8.0570 9.0176 9.0176 k = 0.3721 0.3721 0.3721 ( 10369 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6211 -5.6211 -5.5442 -5.5442 -5.5367 -5.5338 -5.5338 -5.5214 -3.4180 -3.4006 -3.4006 -3.3982 -3.3275 -3.2804 -3.2804 -3.2042 -3.2042 -3.2040 -3.0868 -3.0868 -2.7828 -2.7828 -2.7461 -2.7286 -2.7286 -2.7136 -2.6254 -2.6226 -2.6226 -2.6093 -2.5522 -2.5522 -2.4792 -2.4792 -2.4357 -2.3810 -2.3073 -2.3073 0.7923 0.8189 0.8189 0.8680 1.0880 1.0880 1.6924 1.6924 3.4541 3.4541 3.5229 3.5281 3.6538 3.6538 3.8555 3.8555 3.8893 4.0201 4.1739 4.1739 4.3144 4.3144 4.5220 4.5370 6.1284 6.1284 6.1385 6.1636 6.3722 6.3722 6.6454 6.6454 6.6550 6.6966 7.3833 7.3833 7.8728 7.9291 7.9291 7.9644 8.9652 8.9652 k = 0.3837 0.3837 0.3837 ( 10360 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6104 -5.6104 -5.5472 -5.5472 -5.5392 -5.5371 -5.5371 -5.5251 -3.4178 -3.4027 -3.4027 -3.4004 -3.3235 -3.2789 -3.2789 -3.2100 -3.1970 -3.1970 -3.0888 -3.0888 -2.7836 -2.7836 -2.7463 -2.7296 -2.7296 -2.7153 -2.6238 -2.6207 -2.6207 -2.6084 -2.5487 -2.5487 -2.4735 -2.4735 -2.4353 -2.3847 -2.3061 -2.3061 0.7776 0.8007 0.8007 0.8456 1.0303 1.0303 1.6515 1.6515 3.4998 3.4998 3.5687 3.5928 3.6913 3.6913 3.8820 3.8820 3.9183 4.0555 4.1817 4.1817 4.3527 4.3527 4.5197 4.5420 6.1324 6.1324 6.1408 6.1659 6.3962 6.3962 6.6473 6.6473 6.6504 6.6973 7.3744 7.3744 7.7881 7.8382 7.8382 7.8704 8.9060 8.9060 k = 0.3953 0.3953 0.3953 ( 10354 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6005 -5.6005 -5.5500 -5.5500 -5.5415 -5.5402 -5.5402 -5.5286 -3.4175 -3.4046 -3.4046 -3.4024 -3.3193 -3.2777 -3.2777 -3.2161 -3.1899 -3.1899 -3.0909 -3.0909 -2.7846 -2.7846 -2.7462 -2.7306 -2.7306 -2.7170 -2.6221 -2.6189 -2.6189 -2.6076 -2.5465 -2.5465 -2.4666 -2.4666 -2.4347 -2.3884 -2.3048 -2.3048 0.7639 0.7836 0.7836 0.8242 0.9754 0.9754 1.6148 1.6148 3.5411 3.5411 3.6113 3.6505 3.7224 3.7224 3.9139 3.9139 3.9511 4.0891 4.1888 4.1888 4.3914 4.3914 4.5192 4.5498 6.1364 6.1364 6.1431 6.1678 6.4216 6.4216 6.6448 6.6479 6.6479 6.6967 7.3649 7.3649 7.7057 7.7486 7.7486 7.7773 8.8429 8.8429 k = 0.4070 0.4070 0.4070 ( 10360 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5917 -5.5917 -5.5524 -5.5524 -5.5435 -5.5428 -5.5428 -5.5319 -3.4172 -3.4064 -3.4064 -3.4042 -3.3150 -3.2766 -3.2766 -3.2223 -3.1830 -3.1830 -3.0932 -3.0932 -2.7855 -2.7855 -2.7459 -2.7315 -2.7315 -2.7189 -2.6206 -2.6172 -2.6172 -2.6071 -2.5454 -2.5454 -2.4589 -2.4589 -2.4338 -2.3921 -2.3036 -2.3036 0.7513 0.7678 0.7678 0.8043 0.9242 0.9242 1.5823 1.5823 3.5776 3.5776 3.6502 3.6992 3.7465 3.7465 3.9507 3.9507 3.9880 4.1202 4.1955 4.1955 4.4296 4.4296 4.5211 4.5603 6.1407 6.1407 6.1455 6.1694 6.4480 6.4480 6.6378 6.6469 6.6469 6.6944 7.3549 7.3549 7.6274 7.6625 7.6625 7.6875 8.7784 8.7784 k = 0.4186 0.4186 0.4186 ( 10345 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5840 -5.5840 -5.5545 -5.5545 -5.5452 -5.5452 -5.5452 -5.5349 -3.4168 -3.4079 -3.4079 -3.4058 -3.3104 -3.2756 -3.2756 -3.2286 -3.1764 -3.1764 -3.0956 -3.0956 -2.7864 -2.7864 -2.7451 -2.7323 -2.7323 -2.7208 -2.6190 -2.6155 -2.6155 -2.6068 -2.5450 -2.5450 -2.4509 -2.4509 -2.4326 -2.3956 -2.3023 -2.3023 0.7401 0.7533 0.7533 0.7860 0.8773 0.8773 1.5538 1.5538 3.6092 3.6092 3.6850 3.7380 3.7648 3.7648 3.9901 3.9901 4.0282 4.1478 4.2017 4.2017 4.4666 4.4666 4.5257 4.5731 6.1451 6.1451 6.1482 6.1707 6.4749 6.4749 6.6296 6.6440 6.6440 6.6896 7.3445 7.3445 7.5550 7.5819 7.5819 7.6032 8.7152 8.7152 k = 0.4302 0.4302 0.4302 ( 10348 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5774 -5.5774 -5.5563 -5.5563 -5.5470 -5.5470 -5.5466 -5.5377 -3.4165 -3.4093 -3.4093 -3.4073 -3.3056 -3.2749 -3.2749 -3.2350 -3.1701 -3.1701 -3.0981 -3.0981 -2.7874 -2.7874 -2.7442 -2.7330 -2.7330 -2.7227 -2.6174 -2.6141 -2.6141 -2.6067 -2.5450 -2.5450 -2.4431 -2.4431 -2.4311 -2.3991 -2.3011 -2.3011 0.7305 0.7405 0.7405 0.7694 0.8354 0.8354 1.5292 1.5292 3.6357 3.6357 3.7157 3.7674 3.7788 3.7788 4.0294 4.0294 4.0696 4.1713 4.2073 4.2073 4.5019 4.5019 4.5335 4.5873 6.1499 6.1499 6.1513 6.1720 6.5015 6.5015 6.6204 6.6389 6.6389 6.6820 7.3337 7.3337 7.4900 7.5089 7.5089 7.5266 8.6555 8.6555 k = 0.4419 0.4419 0.4419 ( 10351 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5724 -5.5724 -5.5575 -5.5575 -5.5484 -5.5484 -5.5476 -5.5401 -3.4161 -3.4105 -3.4105 -3.4087 -3.3006 -3.2742 -3.2742 -3.2414 -3.1642 -3.1642 -3.1007 -3.1007 -2.7882 -2.7882 -2.7431 -2.7335 -2.7335 -2.7247 -2.6159 -2.6128 -2.6128 -2.6067 -2.5452 -2.5452 -2.4359 -2.4359 -2.4294 -2.4025 -2.2999 -2.2999 0.7225 0.7294 0.7294 0.7547 0.7989 0.7989 1.5086 1.5086 3.6573 3.6573 3.7423 3.7889 3.7899 3.7899 4.0662 4.0662 4.1090 4.1903 4.2120 4.2120 4.5345 4.5345 4.5448 4.6018 6.1548 6.1550 6.1550 6.1731 6.5270 6.5270 6.6109 6.6319 6.6319 6.6713 7.3229 7.3229 7.4338 7.4452 7.4452 7.4597 8.6014 8.6014 k = 0.4535 0.4535 0.4535 ( 10339 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5689 -5.5689 -5.5583 -5.5583 -5.5491 -5.5491 -5.5484 -5.5423 -3.4156 -3.4115 -3.4115 -3.4098 -3.2954 -3.2736 -3.2736 -3.2478 -3.1589 -3.1589 -3.1032 -3.1032 -2.7888 -2.7888 -2.7417 -2.7340 -2.7340 -2.7268 -2.6144 -2.6117 -2.6117 -2.6069 -2.5455 -2.5455 -2.4297 -2.4297 -2.4275 -2.4058 -2.2989 -2.2989 0.7164 0.7203 0.7203 0.7420 0.7684 0.7684 1.4917 1.4917 3.6742 3.6742 3.7647 3.7989 3.7989 3.8038 4.0989 4.0989 4.1440 4.2048 4.2155 4.2155 4.5593 4.5634 4.5634 4.6147 6.1587 6.1601 6.1601 6.1740 6.5502 6.5502 6.6021 6.6234 6.6234 6.6578 7.3122 7.3122 7.3871 7.3923 7.3923 7.4040 8.5546 8.5546 k = 0.4651 0.4651 0.4651 ( 10339 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5670 -5.5670 -5.5585 -5.5585 -5.5491 -5.5491 -5.5488 -5.5442 -3.4151 -3.4123 -3.4123 -3.4108 -3.2899 -3.2732 -3.2732 -3.2541 -3.1543 -3.1543 -3.1056 -3.1056 -2.7894 -2.7894 -2.7402 -2.7344 -2.7344 -2.7288 -2.6131 -2.6108 -2.6108 -2.6073 -2.5459 -2.5459 -2.4254 -2.4246 -2.4246 -2.4090 -2.2980 -2.2980 0.7122 0.7131 0.7131 0.7313 0.7442 0.7442 1.4786 1.4786 3.6866 3.6866 3.7832 3.8059 3.8059 3.8132 4.1261 4.1261 4.1726 4.2148 4.2177 4.2177 4.5760 4.5876 4.5876 4.6244 6.1628 6.1649 6.1649 6.1747 6.5700 6.5700 6.5955 6.6144 6.6144 6.6423 7.3021 7.3021 7.3506 7.3515 7.3515 7.3605 8.5166 8.5166 k = 0.4767 0.4767 0.4767 ( 10354 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5662 -5.5662 -5.5586 -5.5586 -5.5488 -5.5487 -5.5487 -5.5458 -3.4146 -3.4129 -3.4129 -3.4118 -3.2844 -3.2730 -3.2730 -3.2604 -3.1508 -3.1508 -3.1077 -3.1077 -2.7898 -2.7898 -2.7385 -2.7347 -2.7347 -2.7309 -2.6118 -2.6103 -2.6103 -2.6080 -2.5462 -2.5462 -2.4231 -2.4208 -2.4208 -2.4121 -2.2973 -2.2973 0.7079 0.7079 0.7101 0.7227 0.7266 0.7266 1.4693 1.4693 3.6951 3.6951 3.7977 3.8111 3.8111 3.8180 4.1469 4.1469 4.1942 4.2185 4.2185 4.2204 4.5934 4.6059 4.6059 4.6292 6.1667 6.1689 6.1689 6.1748 6.5851 6.5851 6.5923 6.6064 6.6064 6.6263 7.2929 7.2929 7.3236 7.3236 7.3244 7.3296 8.4886 8.4886 k = 0.4884 0.4884 0.4884 ( 10420 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.5660 -5.5660 -5.5586 -5.5586 -5.5486 -5.5482 -5.5482 -5.5470 -3.4141 -3.4133 -3.4133 -3.4127 -3.2788 -3.2729 -3.2729 -3.2668 -3.1486 -3.1486 -3.1093 -3.1093 -2.7902 -2.7902 -2.7368 -2.7349 -2.7349 -2.7330 -2.6109 -2.6100 -2.6100 -2.6090 -2.5465 -2.5465 -2.4206 -2.4187 -2.4187 -2.4152 -2.2970 -2.2970 0.7050 0.7050 0.7100 0.7158 0.7158 0.7163 1.4637 1.4637 3.7000 3.7000 3.8084 3.8144 3.8144 3.8187 4.1603 4.1603 4.2090 4.2182 4.2182 4.2215 4.6091 4.6174 4.6174 4.6282 6.1700 6.1716 6.1716 6.1741 6.5938 6.5943 6.5943 6.6012 6.6012 6.6117 7.2852 7.2852 7.3087 7.3087 7.3089 7.3110 8.4714 8.4714 k = 0.5000 0.5000 0.5000 ( 10432 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3674 -36.3674 -5.5660 -5.5660 -5.5587 -5.5587 -5.5480 -5.5480 -5.5480 -5.5480 -3.4135 -3.4135 -3.4135 -3.4135 -3.2729 -3.2729 -3.2729 -3.2729 -3.1478 -3.1478 -3.1098 -3.1098 -2.7903 -2.7903 -2.7350 -2.7350 -2.7350 -2.7350 -2.6099 -2.6099 -2.6099 -2.6099 -2.5466 -2.5466 -2.4180 -2.4180 -2.4180 -2.4180 -2.2969 -2.2969 0.7041 0.7041 0.7121 0.7121 0.7121 0.7121 1.4618 1.4618 3.7016 3.7016 3.8154 3.8154 3.8154 3.8154 4.1650 4.1650 4.2179 4.2179 4.2179 4.2179 4.6213 4.6213 4.6213 4.6213 6.1725 6.1725 6.1725 6.1725 6.5963 6.5963 6.6004 6.6004 6.6004 6.6004 7.2820 7.2820 7.3043 7.3043 7.3043 7.3043 8.4656 8.4656 k = 0.5000 0.5000 0.5000 ( 10432 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3674 -36.3674 -5.5660 -5.5660 -5.5587 -5.5587 -5.5480 -5.5480 -5.5480 -5.5480 -3.4135 -3.4135 -3.4135 -3.4135 -3.2729 -3.2729 -3.2729 -3.2729 -3.1478 -3.1478 -3.1098 -3.1098 -2.7903 -2.7903 -2.7350 -2.7350 -2.7350 -2.7350 -2.6099 -2.6099 -2.6099 -2.6099 -2.5466 -2.5466 -2.4180 -2.4180 -2.4180 -2.4180 -2.2969 -2.2969 0.7041 0.7041 0.7121 0.7121 0.7121 0.7121 1.4618 1.4618 3.7016 3.7016 3.8154 3.8154 3.8154 3.8154 4.1650 4.1650 4.2179 4.2179 4.2179 4.2179 4.6213 4.6213 4.6213 4.6213 6.1725 6.1725 6.1725 6.1725 6.5963 6.5963 6.6004 6.6004 6.6004 6.6004 7.2820 7.2820 7.3043 7.3043 7.3043 7.3043 8.4656 8.4656 k = 0.4857 0.5000 0.4857 ( 10422 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.5661 -5.5660 -5.5587 -5.5586 -5.5486 -5.5483 -5.5480 -5.5471 -3.4141 -3.4136 -3.4132 -3.4128 -3.2786 -3.2745 -3.2714 -3.2670 -3.1486 -3.1486 -3.1093 -3.1092 -2.7902 -2.7902 -2.7368 -2.7354 -2.7344 -2.7331 -2.6109 -2.6103 -2.6098 -2.6090 -2.5465 -2.5465 -2.4206 -2.4194 -2.4179 -2.4153 -2.2970 -2.2970 0.7048 0.7051 0.7106 0.7144 0.7163 0.7167 1.4637 1.4637 3.6999 3.7001 3.8086 3.8130 3.8156 3.8186 4.1602 4.1604 4.2092 4.2166 4.2191 4.2219 4.6092 4.6151 4.6198 4.6279 6.1697 6.1714 6.1719 6.1742 6.5926 6.5943 6.5962 6.6004 6.6016 6.6114 7.2848 7.2858 7.3083 7.3088 7.3090 7.3112 8.4714 8.4714 k = 0.4714 0.5000 0.4714 ( 10354 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5664 -5.5660 -5.5587 -5.5585 -5.5490 -5.5488 -5.5483 -5.5459 -3.4146 -3.4133 -3.4125 -3.4118 -3.2840 -3.2761 -3.2698 -3.2608 -3.1509 -3.1506 -3.1078 -3.1075 -2.7898 -2.7898 -2.7384 -2.7357 -2.7337 -2.7310 -2.6118 -2.6107 -2.6097 -2.6081 -2.5462 -2.5462 -2.4231 -2.4222 -2.4191 -2.4125 -2.2974 -2.2972 0.7068 0.7071 0.7150 0.7216 0.7229 0.7288 1.4693 1.4693 3.6944 3.6958 3.7981 3.8088 3.8130 3.8179 4.1465 4.1473 4.1941 4.2157 4.2174 4.2241 4.5927 4.6023 4.6102 4.6288 6.1648 6.1692 6.1699 6.1753 6.5824 6.5921 6.5938 6.6016 6.6057 6.6262 7.2912 7.2976 7.3188 7.3231 7.3262 7.3309 8.4887 8.4887 k = 0.4571 0.5000 0.4571 ( 10334 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5672 -5.5661 -5.5591 -5.5583 -5.5497 -5.5489 -5.5487 -5.5442 -3.4150 -3.4129 -3.4117 -3.4109 -3.2894 -3.2778 -3.2685 -3.2548 -3.1548 -3.1538 -3.1061 -3.1051 -2.7894 -2.7893 -2.7400 -2.7358 -2.7330 -2.7289 -2.6131 -2.6115 -2.6100 -2.6075 -2.5460 -2.5458 -2.4266 -2.4254 -2.4216 -2.4098 -2.2983 -2.2975 0.7083 0.7115 0.7263 0.7320 0.7331 0.7475 1.4786 1.4787 3.6843 3.6889 3.7838 3.8033 3.8073 3.8131 4.1250 4.1270 4.1723 4.2120 4.2138 4.2249 4.5728 4.5845 4.5925 4.6241 6.1580 6.1647 6.1683 6.1759 6.5683 6.5848 6.5925 6.6042 6.6142 6.6427 7.3005 7.3174 7.3354 7.3455 7.3573 7.3644 8.5168 8.5170 k = 0.4429 0.5000 0.4429 ( 10340 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5687 -5.5665 -5.5598 -5.5588 -5.5498 -5.5494 -5.5480 -5.5421 -3.4154 -3.4125 -3.4107 -3.4099 -3.2947 -3.2797 -3.2673 -3.2487 -3.1598 -3.1579 -3.1043 -3.1022 -2.7890 -2.7887 -2.7416 -2.7358 -2.7322 -2.7269 -2.6145 -2.6126 -2.6106 -2.6071 -2.5457 -2.5453 -2.4326 -2.4278 -2.4251 -2.4073 -2.2998 -2.2980 0.7109 0.7178 0.7420 0.7437 0.7502 0.7725 1.4917 1.4919 3.6689 3.6795 3.7654 3.7971 3.7982 3.8037 4.0962 4.1007 4.1444 4.2037 4.2103 4.2237 4.5509 4.5634 4.5678 4.6144 6.1503 6.1594 6.1667 6.1757 6.5514 6.5704 6.5945 6.6078 6.6246 6.6588 7.3139 7.3437 7.3592 7.3752 7.4015 7.4116 8.5550 8.5553 k = 0.4286 0.5000 0.4286 ( 10338 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5709 -5.5675 -5.5611 -5.5604 -5.5495 -5.5488 -5.5466 -5.5395 -3.4157 -3.4118 -3.4094 -3.4088 -3.2999 -3.2816 -3.2663 -3.2427 -3.1656 -3.1624 -3.1026 -3.0990 -2.7884 -2.7879 -2.7430 -2.7356 -2.7315 -2.7248 -2.6161 -2.6138 -2.6114 -2.6069 -2.5455 -2.5447 -2.4399 -2.4299 -2.4295 -2.4050 -2.3015 -2.2983 0.7149 0.7259 0.7581 0.7600 0.7740 0.8035 1.5085 1.5088 3.6474 3.6673 3.7425 3.7853 3.7887 3.7906 4.0609 4.0693 4.1122 4.1931 4.2049 4.2202 4.5268 4.5374 4.5416 4.6004 6.1427 6.1539 6.1649 6.1747 6.5323 6.5519 6.5970 6.6114 6.6353 6.6727 7.3321 7.3737 7.3925 7.4112 7.4578 7.4720 8.6021 8.6026 k = 0.4143 0.5000 0.4143 ( 10342 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5738 -5.5692 -5.5632 -5.5631 -5.5487 -5.5467 -5.5446 -5.5364 -3.4159 -3.4109 -3.4079 -3.4076 -3.3048 -3.2836 -3.2653 -3.2367 -3.1721 -3.1674 -3.1011 -3.0957 -2.7877 -2.7869 -2.7443 -2.7352 -2.7307 -2.7228 -2.6178 -2.6152 -2.6124 -2.6069 -2.5454 -2.5440 -2.4484 -2.4346 -2.4318 -2.4030 -2.3036 -2.2986 0.7201 0.7355 0.7752 0.7804 0.8042 0.8403 1.5289 1.5295 3.6195 3.6514 3.7146 3.7661 3.7694 3.7841 4.0211 4.0340 4.0777 4.1804 4.1974 4.2142 4.5000 4.5029 4.5214 4.5830 6.1356 6.1488 6.1627 6.1729 6.5118 6.5303 6.5994 6.6142 6.6449 6.6832 7.3555 7.4070 7.4353 7.4529 7.5251 7.5439 8.6570 8.6578 k = 0.4000 0.5000 0.4000 ( 10352 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5773 -5.5716 -5.5667 -5.5661 -5.5470 -5.5440 -5.5419 -5.5328 -3.4161 -3.4100 -3.4064 -3.4061 -3.3096 -3.2857 -3.2645 -3.2308 -3.1791 -3.1726 -3.0999 -3.0923 -2.7870 -2.7857 -2.7454 -2.7345 -2.7299 -2.7207 -2.6196 -2.6168 -2.6135 -2.6070 -2.5454 -2.5434 -2.4578 -2.4402 -2.4334 -2.4013 -2.3057 -2.2987 0.7266 0.7464 0.7949 0.8034 0.8400 0.8824 1.5531 1.5539 3.5852 3.6296 3.6809 3.7371 3.7487 3.7778 3.9806 3.9965 4.0421 4.1660 4.1877 4.2058 4.4655 4.4709 4.5035 4.5631 6.1294 6.1442 6.1600 6.1700 6.4904 6.5065 6.6011 6.6158 6.6525 6.6901 7.3843 7.4444 7.4858 7.4999 7.6019 7.6256 8.7184 8.7194 k = 0.3857 0.5000 0.3857 ( 10358 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5813 -5.5747 -5.5709 -5.5698 -5.5445 -5.5409 -5.5384 -5.5288 -3.4162 -3.4089 -3.4050 -3.4040 -3.3142 -3.2878 -3.2639 -3.2252 -3.1864 -3.1779 -3.0989 -3.0889 -2.7864 -2.7844 -2.7464 -2.7336 -2.7291 -2.7187 -2.6216 -2.6183 -2.6148 -2.6074 -2.5457 -2.5428 -2.4680 -2.4462 -2.4347 -2.4002 -2.3076 -2.2986 0.7341 0.7585 0.8171 0.8289 0.8809 0.9296 1.5808 1.5821 3.5445 3.5975 3.6410 3.7023 3.7251 3.7716 3.9432 3.9586 4.0062 4.1499 4.1758 4.1950 4.4266 4.4404 4.4874 4.5417 6.1243 6.1402 6.1567 6.1664 6.4687 6.4816 6.6016 6.6158 6.6578 6.6935 7.4183 7.4861 7.5426 7.5517 7.6867 7.7151 8.7851 8.7863 k = 0.3714 0.5000 0.3714 ( 10358 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5858 -5.5785 -5.5756 -5.5740 -5.5414 -5.5375 -5.5342 -5.5244 -3.4162 -3.4077 -3.4036 -3.4016 -3.3186 -3.2899 -3.2633 -3.2200 -3.1940 -3.1832 -3.0981 -3.0855 -2.7857 -2.7829 -2.7473 -2.7324 -2.7283 -2.7167 -2.6236 -2.6199 -2.6162 -2.6081 -2.5464 -2.5424 -2.4785 -2.4524 -2.4354 -2.3996 -2.3091 -2.2983 0.7427 0.7717 0.8414 0.8566 0.9265 0.9815 1.6120 1.6138 3.4978 3.5500 3.5948 3.6659 3.7001 3.7656 3.9106 3.9218 3.9709 4.1322 4.1616 4.1818 4.3870 4.4090 4.4727 4.5196 6.1202 6.1369 6.1527 6.1620 6.4471 6.4564 6.6006 6.6139 6.6607 6.6936 7.4572 7.5318 7.6049 7.6080 7.7778 7.8102 8.8559 8.8571 k = 0.3571 0.5000 0.3571 ( 10342 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5907 -5.5827 -5.5808 -5.5788 -5.5377 -5.5338 -5.5296 -5.5196 -3.4161 -3.4064 -3.4020 -3.3989 -3.3228 -3.2920 -3.2628 -3.2153 -3.2017 -3.1885 -3.0975 -3.0822 -2.7850 -2.7813 -2.7480 -2.7309 -2.7275 -2.7148 -2.6256 -2.6216 -2.6176 -2.6090 -2.5474 -2.5422 -2.4890 -2.4587 -2.4357 -2.3996 -2.3100 -2.2978 0.7521 0.7858 0.8677 0.8863 0.9764 1.0376 1.6467 1.6492 3.4454 3.4863 3.5429 3.6280 3.6766 3.7596 3.8822 3.8872 3.9371 4.1126 4.1450 4.1660 4.3474 4.3773 4.4590 4.4975 6.1172 6.1339 6.1479 6.1569 6.4260 6.4317 6.5980 6.6103 6.6613 6.6909 7.5003 7.5810 7.6684 7.6720 7.8735 7.9093 8.9296 8.9308 k = 0.3429 0.5000 0.3429 ( 10370 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5959 -5.5874 -5.5863 -5.5840 -5.5336 -5.5298 -5.5246 -5.5145 -3.4159 -3.4050 -3.4004 -3.3961 -3.3270 -3.2942 -3.2625 -3.2118 -3.2096 -3.1932 -3.0972 -3.0791 -2.7844 -2.7796 -2.7486 -2.7293 -2.7268 -2.7130 -2.6278 -2.6233 -2.6193 -2.6104 -2.5490 -2.5424 -2.4994 -2.4651 -2.4355 -2.4004 -2.3101 -2.2972 0.7622 0.8007 0.8955 0.9178 1.0301 1.0975 1.6848 1.6880 3.3878 3.4109 3.4866 3.5864 3.6567 3.7534 3.8553 3.8565 3.9052 4.0912 4.1256 4.1476 4.3082 4.3456 4.4460 4.4760 6.1150 6.1306 6.1422 6.1515 6.4059 6.4082 6.5934 6.6048 6.6598 6.6859 7.5470 7.6329 7.7325 7.7430 7.9723 8.0107 9.0051 9.0061 k = 0.3286 0.5000 0.3286 ( 10370 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6015 -5.5926 -5.5923 -5.5896 -5.5291 -5.5254 -5.5192 -5.5091 -3.4158 -3.4035 -3.3987 -3.3929 -3.3310 -3.2963 -3.2622 -3.2174 -3.2105 -3.1963 -3.0968 -3.0760 -2.7839 -2.7777 -2.7489 -2.7273 -2.7261 -2.7112 -2.6300 -2.6251 -2.6210 -2.6121 -2.5513 -2.5431 -2.5090 -2.4715 -2.4347 -2.4015 -2.3092 -2.2963 0.7729 0.8162 0.9247 0.9507 1.0872 1.1606 1.7260 1.7302 3.3256 3.3286 3.4275 3.5403 3.6399 3.7469 3.8263 3.8319 3.8754 4.0675 4.1034 4.1265 4.2700 4.3145 4.4338 4.4556 6.1138 6.1260 6.1355 6.1468 6.3866 6.3873 6.5872 6.5977 6.6565 6.6791 7.5965 7.6868 7.7999 7.8174 8.0730 8.1130 9.0815 9.0821 k = 0.3143 0.5000 0.3143 ( 10380 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6072 -5.5985 -5.5981 -5.5955 -5.5242 -5.5209 -5.5135 -5.5035 -3.4155 -3.4020 -3.3969 -3.3896 -3.3348 -3.2983 -3.2620 -3.2252 -3.2128 -3.1967 -3.0963 -3.0731 -2.7833 -2.7758 -2.7491 -2.7255 -2.7252 -2.7096 -2.6322 -2.6268 -2.6228 -2.6144 -2.5543 -2.5443 -2.5177 -2.4779 -2.4331 -2.4030 -2.3073 -2.2951 0.7840 0.8322 0.9549 0.9847 1.1470 1.2264 1.7702 1.7756 3.2428 3.2599 3.3673 3.4908 3.6254 3.7391 3.8007 3.8075 3.8478 4.0412 4.0779 4.1028 4.2335 4.2843 4.4220 4.4366 6.1134 6.1187 6.1275 6.1438 6.3675 6.3704 6.5793 6.5890 6.6518 6.6706 7.6480 7.7421 7.8701 7.8944 8.1743 8.2151 9.1577 9.1577 k = 0.3000 0.5000 0.3000 ( 10388 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6132 -5.6049 -5.6040 -5.6016 -5.5192 -5.5160 -5.5076 -5.4978 -3.4151 -3.4004 -3.3950 -3.3861 -3.3385 -3.3003 -3.2620 -3.2328 -3.2173 -3.1957 -3.0956 -3.0703 -2.7828 -2.7738 -2.7492 -2.7249 -2.7230 -2.7081 -2.6344 -2.6285 -2.6246 -2.6171 -2.5580 -2.5461 -2.5251 -2.4843 -2.4309 -2.4043 -2.3046 -2.2937 0.7952 0.8483 0.9859 1.0195 1.2092 1.2943 1.8172 1.8241 3.1559 3.1919 3.3072 3.4390 3.6125 3.7283 3.7796 3.7829 3.8217 4.0117 4.0491 4.0771 4.1991 4.2555 4.4108 4.4193 6.1083 6.1137 6.1183 6.1429 6.3513 6.3559 6.5699 6.5791 6.6457 6.6610 7.7009 7.7980 7.9425 7.9733 8.2755 8.3160 9.2319 9.2327 k = 0.2857 0.5000 0.2857 ( 10362 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6193 -5.6115 -5.6101 -5.6079 -5.5139 -5.5110 -5.5015 -5.4919 -3.4146 -3.3987 -3.3929 -3.3823 -3.3420 -3.3021 -3.2620 -3.2400 -3.2226 -3.1946 -3.0945 -3.0676 -2.7823 -2.7717 -2.7490 -2.7243 -2.7206 -2.7066 -2.6365 -2.6301 -2.6264 -2.6205 -2.5623 -2.5484 -2.5311 -2.4907 -2.4279 -2.4053 -2.3011 -2.2921 0.8065 0.8645 1.0173 1.0548 1.2732 1.3636 1.8666 1.8754 3.0697 3.1228 3.2482 3.3864 3.6007 3.7126 3.7580 3.7646 3.7966 3.9783 4.0168 4.0503 4.1672 4.2286 4.4000 4.4037 6.0952 6.1073 6.1149 6.1434 6.3384 6.3440 6.5592 6.5682 6.6387 6.6505 7.7542 7.8539 8.0165 8.0533 8.3757 8.4150 9.3036 9.3056 k = 0.2714 0.5000 0.2714 ( 10374 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6255 -5.6183 -5.6165 -5.6142 -5.5085 -5.5059 -5.4953 -5.4859 -3.4141 -3.3970 -3.3909 -3.3784 -3.3454 -3.3040 -3.2621 -3.2471 -3.2284 -3.1944 -3.0932 -3.0651 -2.7818 -2.7696 -2.7487 -2.7239 -2.7182 -2.7052 -2.6387 -2.6318 -2.6283 -2.6246 -2.5669 -2.5512 -2.5361 -2.4974 -2.4242 -2.4057 -2.2969 -2.2903 0.8175 0.8803 1.0489 1.0903 1.3383 1.4335 1.9182 1.9293 2.9856 3.0543 3.1910 3.3340 3.5896 3.6920 3.7331 3.7548 3.7717 3.9409 3.9814 4.0234 4.1375 4.2039 4.3898 4.3898 6.0800 6.0950 6.1165 6.1448 6.3288 6.3349 6.5474 6.5565 6.6307 6.6392 7.8074 7.9091 8.0915 8.1338 8.4743 8.5114 9.3712 9.3749 k = 0.2571 0.5000 0.2571 ( 10370 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6318 -5.6251 -5.6230 -5.6207 -5.5030 -5.5006 -5.4891 -5.4799 -3.4135 -3.3953 -3.3888 -3.3743 -3.3487 -3.3057 -3.2623 -3.2538 -3.2342 -3.1950 -3.0913 -3.0627 -2.7813 -2.7675 -2.7481 -2.7235 -2.7158 -2.7040 -2.6408 -2.6333 -2.6304 -2.6291 -2.5713 -2.5545 -2.5403 -2.5042 -2.4198 -2.4053 -2.2922 -2.2882 0.8280 0.8955 1.0805 1.1257 1.4040 1.5034 1.9715 1.9856 2.9048 2.9875 3.1364 3.2829 3.5788 3.6683 3.7083 3.7467 3.7473 3.9001 3.9432 3.9975 4.1099 4.1815 4.3777 4.3801 6.0632 6.0813 6.1187 6.1469 6.3222 6.3286 6.5349 6.5442 6.6221 6.6275 7.8597 7.9630 8.1669 8.2139 8.5708 8.6046 9.4326 9.4388 k = 0.2429 0.5000 0.2429 ( 10374 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6380 -5.6319 -5.6296 -5.6271 -5.4974 -5.4954 -5.4828 -5.4739 -3.4129 -3.3935 -3.3866 -3.3704 -3.3517 -3.3073 -3.2626 -3.2600 -3.2400 -3.1966 -3.0891 -3.0604 -2.7808 -2.7654 -2.7475 -2.7233 -2.7134 -2.7029 -2.6430 -2.6349 -2.6347 -2.6320 -2.5752 -2.5581 -2.5439 -2.5112 -2.4148 -2.4041 -2.2870 -2.2859 0.8378 0.9097 1.1117 1.1605 1.4697 1.5724 2.0260 2.0439 2.8282 2.9237 3.0849 3.2340 3.5677 3.6426 3.6839 3.7215 3.7394 3.8574 3.9029 3.9735 4.0840 4.1616 4.3674 4.3710 6.0454 6.0663 6.1213 6.1496 6.3184 6.3251 6.5218 6.5315 6.6130 6.6155 7.9106 8.0149 8.2419 8.2928 8.6647 8.6943 9.4844 9.4942 k = 0.2286 0.5000 0.2286 ( 10378 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6442 -5.6387 -5.6363 -5.6336 -5.4918 -5.4901 -5.4765 -5.4680 -3.4123 -3.3918 -3.3845 -3.3667 -3.3544 -3.3087 -3.2658 -3.2630 -3.2458 -3.1992 -3.0865 -3.0583 -2.7802 -2.7633 -2.7467 -2.7231 -2.7112 -2.7019 -2.6452 -2.6402 -2.6363 -2.6339 -2.5786 -2.5619 -2.5472 -2.5183 -2.4092 -2.4020 -2.2834 -2.2816 0.8467 0.9227 1.1423 1.1945 1.5348 1.6397 2.0812 2.1040 2.7569 2.8641 3.0374 3.1880 3.5552 3.6151 3.6593 3.6967 3.7276 3.8157 3.8616 3.9523 4.0597 4.1444 4.3587 4.3626 6.0271 6.0505 6.1245 6.1527 6.3170 6.3240 6.5083 6.5188 6.6034 6.6035 7.9595 8.0643 8.3159 8.3698 8.7557 8.7801 9.5203 9.5353 k = 0.2143 0.5000 0.2143 ( 10370 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6503 -5.6453 -5.6429 -5.6400 -5.4863 -5.4848 -5.4703 -5.4622 -3.4116 -3.3899 -3.3822 -3.3642 -3.3557 -3.3099 -3.2710 -3.2635 -3.2515 -3.2025 -3.0835 -3.0563 -2.7795 -2.7612 -2.7457 -2.7231 -2.7091 -2.7011 -2.6473 -2.6457 -2.6377 -2.6357 -2.5814 -2.5657 -2.5503 -2.5254 -2.4031 -2.3992 -2.2806 -2.2759 0.8546 0.9340 1.1720 1.2273 1.5987 1.7045 2.1361 2.1653 2.6920 2.8098 2.9944 3.1456 3.5405 3.5855 3.6332 3.6739 3.7070 3.7795 3.8202 3.9353 4.0369 4.1301 4.3518 4.3549 6.0087 6.0342 6.1280 6.1561 6.3176 6.3251 6.4949 6.5063 6.5913 6.5937 8.0058 8.1108 8.3881 8.4441 8.8434 8.8615 9.5297 9.5522 k = 0.2000 0.5000 0.2000 ( 10362 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6562 -5.6518 -5.6495 -5.6462 -5.4809 -5.4796 -5.4642 -5.4566 -3.4108 -3.3881 -3.3800 -3.3645 -3.3542 -3.3109 -3.2757 -3.2641 -3.2570 -3.2066 -3.0803 -3.0544 -2.7788 -2.7592 -2.7446 -2.7232 -2.7073 -2.7003 -2.6510 -2.6496 -2.6390 -2.6375 -2.5838 -2.5695 -2.5532 -2.5323 -2.3965 -2.3957 -2.2777 -2.2701 0.8611 0.9434 1.2006 1.2584 1.6609 1.7662 2.1900 2.2268 2.6346 2.7619 2.9566 3.1074 3.5224 3.5530 3.6034 3.6551 3.6747 3.7515 3.7803 3.9235 4.0157 4.1187 4.3465 4.3481 5.9907 6.0176 6.1318 6.1598 6.3196 6.3280 6.4817 6.4943 6.5793 6.5839 8.0492 8.1540 8.4579 8.5148 8.9275 8.9382 9.5004 9.5308 k = 0.1857 0.5000 0.1857 ( 10370 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6619 -5.6581 -5.6558 -5.6523 -5.4756 -5.4746 -5.4582 -5.4511 -3.4100 -3.3863 -3.3779 -3.3666 -3.3510 -3.3116 -3.2797 -3.2653 -3.2619 -3.2114 -3.0770 -3.0527 -2.7779 -2.7572 -2.7435 -2.7235 -2.7057 -2.6997 -2.6561 -2.6519 -2.6402 -2.6392 -2.5858 -2.5732 -2.5559 -2.5391 -2.3917 -2.3898 -2.2746 -2.2644 0.8664 0.9504 1.2277 1.2876 1.7209 1.8239 2.2414 2.2873 2.5864 2.7215 2.9246 3.0738 3.5004 3.5169 3.5690 3.6350 3.6403 3.7281 3.7438 3.9171 3.9966 4.1104 4.3422 4.3429 5.9733 6.0012 6.1360 6.1636 6.3226 6.3322 6.4691 6.4831 6.5676 6.5740 8.0892 8.1934 8.5248 8.5813 9.0073 9.0098 9.4322 9.4659 k = 0.1714 0.5000 0.1714 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6675 -5.6641 -5.6620 -5.6582 -5.4705 -5.4697 -5.4525 -5.4459 -3.4091 -3.3846 -3.3759 -3.3691 -3.3474 -3.3120 -3.2832 -3.2689 -3.2644 -3.2166 -3.0737 -3.0511 -2.7770 -2.7553 -2.7424 -2.7240 -2.7045 -2.6992 -2.6606 -2.6542 -2.6415 -2.6409 -2.5876 -2.5768 -2.5586 -2.5455 -2.3872 -2.3829 -2.2712 -2.2587 0.8702 0.9551 1.2532 1.3143 1.7781 1.8773 2.2890 2.3432 2.5506 2.6902 2.8992 3.0452 3.4746 3.4766 3.5301 3.5935 3.6272 3.7050 3.7133 3.9150 3.9804 4.1051 4.3375 4.3410 5.9569 5.9850 6.1403 6.1674 6.3261 6.3371 6.4577 6.4732 6.5564 6.5642 8.1257 8.2289 8.5882 8.6426 9.0754 9.0820 9.3398 9.3715 k = 0.1571 0.5000 0.1571 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6727 -5.6697 -5.6679 -5.6639 -5.4656 -5.4651 -5.4471 -5.4410 -3.4082 -3.3828 -3.3743 -3.3714 -3.3438 -3.3121 -3.2859 -3.2738 -3.2655 -3.2222 -3.0703 -3.0497 -2.7758 -2.7535 -2.7412 -2.7247 -2.7035 -2.6988 -2.6644 -2.6564 -2.6426 -2.6425 -2.5891 -2.5801 -2.5610 -2.5513 -2.3825 -2.3760 -2.2677 -2.2532 0.8727 0.9571 1.2767 1.3383 1.8321 1.9259 2.3306 2.3865 2.5352 2.6693 2.8807 3.0217 3.4323 3.4454 3.4875 3.5522 3.6124 3.6813 3.6916 3.9136 3.9695 4.1027 4.3341 4.3409 5.9416 5.9695 6.1447 6.1711 6.3293 6.3419 6.4482 6.4651 6.5456 6.5547 8.1582 8.2603 8.6475 8.6981 9.1315 9.1451 9.2429 9.2674 k = 0.1429 0.5000 0.1429 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6777 -5.6749 -5.6734 -5.6693 -5.4611 -5.4607 -5.4419 -5.4364 -3.4073 -3.3810 -3.3750 -3.3714 -3.3403 -3.3119 -3.2880 -3.2787 -3.2664 -3.2281 -3.0671 -3.0484 -2.7745 -2.7518 -2.7400 -2.7257 -2.7029 -2.6986 -2.6677 -2.6587 -2.6440 -2.6437 -2.5905 -2.5832 -2.5635 -2.5568 -2.3775 -2.3693 -2.2639 -2.2480 0.8740 0.9565 1.2982 1.3593 1.8825 1.9695 2.3643 2.4050 2.5515 2.6603 2.8696 3.0033 3.3849 3.4129 3.4424 3.5114 3.5942 3.6576 3.6797 3.9082 3.9676 4.1029 4.3322 4.3424 5.9276 5.9548 6.1493 6.1747 6.3317 6.3456 6.4414 6.4593 6.5355 6.5454 8.1868 8.2874 8.7025 8.7465 9.1116 9.1276 9.2133 9.2343 k = 0.1286 0.5000 0.1286 ( 10400 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6824 -5.6797 -5.6786 -5.6743 -5.4568 -5.4566 -5.4371 -5.4321 -3.4063 -3.3794 -3.3774 -3.3700 -3.3372 -3.3113 -3.2894 -3.2836 -3.2674 -3.2341 -3.0640 -3.0474 -2.7730 -2.7501 -2.7390 -2.7270 -2.7027 -2.6985 -2.6702 -2.6609 -2.6454 -2.6449 -2.5917 -2.5860 -2.5658 -2.5615 -2.3726 -2.3631 -2.2601 -2.2432 0.8742 0.9534 1.3176 1.3770 1.9290 2.0079 2.3894 2.4044 2.5934 2.6634 2.8662 2.9899 3.3359 3.3771 3.3964 3.4705 3.5742 3.6345 3.6755 3.8973 3.9744 4.1049 4.3320 4.3455 5.9150 5.9409 6.1539 6.1781 6.3327 6.3469 6.4382 6.4563 6.5261 6.5365 8.2112 8.3102 8.7529 8.7855 9.0108 9.0317 9.2430 9.2858 k = 0.1143 0.5000 0.1143 ( 10400 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6867 -5.6840 -5.6834 -5.6790 -5.4529 -5.4528 -5.4327 -5.4282 -3.4053 -3.3798 -3.3777 -3.3686 -3.3343 -3.3103 -3.2901 -3.2882 -3.2684 -3.2403 -3.0611 -3.0465 -2.7714 -2.7486 -2.7381 -2.7286 -2.7026 -2.6985 -2.6721 -2.6629 -2.6467 -2.6460 -2.5928 -2.5884 -2.5679 -2.5657 -2.3676 -2.3573 -2.2561 -2.2387 0.8736 0.9482 1.3348 1.3914 1.9713 2.0412 2.3998 2.4067 2.6443 2.6769 2.8703 2.9810 3.2869 3.3360 3.3530 3.4288 3.5547 3.6129 3.6763 3.8834 3.9866 4.1082 4.3337 4.3502 5.9039 5.9281 6.1584 6.1811 6.3318 6.3453 6.4392 6.4562 6.5175 6.5281 8.2316 8.3287 8.7983 8.8065 8.9112 8.9426 9.2465 9.2751 k = 0.1000 0.5000 0.1000 ( 10384 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6906 -5.6878 -5.6878 -5.6832 -5.4494 -5.4494 -5.4287 -5.4248 -3.4042 -3.3821 -3.3760 -3.3674 -3.3317 -3.3088 -3.2925 -3.2901 -3.2695 -3.2464 -3.0583 -3.0457 -2.7694 -2.7470 -2.7374 -2.7305 -2.7026 -2.6985 -2.6733 -2.6648 -2.6478 -2.6470 -2.5936 -2.5904 -2.5699 -2.5692 -2.3627 -2.3521 -2.2519 -2.2349 0.8726 0.9410 1.3498 1.4025 2.0091 2.0694 2.3980 2.4189 2.6965 2.6977 2.8810 2.9759 3.2393 3.2895 3.3140 3.3862 3.5372 3.5929 3.6803 3.8683 4.0013 4.1117 4.3375 4.3560 5.8943 5.9165 6.1628 6.1837 6.3293 6.3412 6.4437 6.4588 6.5098 6.5203 8.2479 8.3427 8.7773 8.8188 8.8388 8.9030 9.2004 9.2010 k = 0.0857 0.5000 0.0857 ( 10384 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6940 -5.6917 -5.6911 -5.6870 -5.4463 -5.4463 -5.4251 -5.4217 -3.4030 -3.3843 -3.3745 -3.3665 -3.3294 -3.3069 -3.2967 -3.2895 -3.2707 -3.2526 -3.0558 -3.0451 -2.7673 -2.7456 -2.7369 -2.7327 -2.7027 -2.6987 -2.6741 -2.6664 -2.6489 -2.6480 -2.5945 -2.5922 -2.5721 -2.5717 -2.3581 -2.3478 -2.2477 -2.2316 0.8716 0.9326 1.3629 1.4105 2.0423 2.0929 2.4005 2.4284 2.7231 2.7469 2.8969 2.9737 3.1947 3.2415 3.2775 3.3427 3.5224 3.5746 3.6866 3.8526 4.0170 4.1147 4.3433 4.3626 5.8863 5.9060 6.1671 6.1858 6.3256 6.3354 6.4506 6.4634 6.5031 6.5132 8.2603 8.3519 8.7065 8.7362 8.8741 8.9069 9.1275 9.1431 k = 0.0714 0.5000 0.0714 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6970 -5.6951 -5.6938 -5.6903 -5.4437 -5.4436 -5.4220 -5.4192 -3.4019 -3.3865 -3.3730 -3.3660 -3.3273 -3.3046 -3.3007 -3.2886 -3.2721 -3.2586 -3.0536 -3.0447 -2.7650 -2.7443 -2.7367 -2.7353 -2.7028 -2.6990 -2.6746 -2.6680 -2.6498 -2.6490 -2.5952 -2.5937 -2.5744 -2.5734 -2.3539 -2.3443 -2.2436 -2.2291 0.8708 0.9233 1.3741 1.4155 2.0707 2.1118 2.4069 2.4370 2.7513 2.7944 2.9155 2.9731 3.1550 3.1942 3.2429 3.2988 3.5106 3.5581 3.6948 3.8366 4.0328 4.1164 4.3506 4.3694 5.8798 5.8967 6.1711 6.1873 6.3212 6.3290 6.4586 6.4691 6.4975 6.5068 8.2692 8.3558 8.6355 8.6650 8.9038 8.9138 9.0627 9.0919 k = 0.0571 0.5000 0.0571 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.6994 -5.6979 -5.6959 -5.6931 -5.4415 -5.4414 -5.4194 -5.4171 -3.4007 -3.3885 -3.3716 -3.3657 -3.3253 -3.3043 -3.3017 -3.2872 -3.2735 -3.2645 -3.0516 -3.0445 -2.7625 -2.7431 -2.7381 -2.7367 -2.7026 -2.6994 -2.6747 -2.6693 -2.6505 -2.6498 -2.5958 -2.5948 -2.5762 -2.5749 -2.3499 -2.3416 -2.2396 -2.2272 0.8706 0.9138 1.3838 1.4181 2.0944 2.1263 2.4162 2.4448 2.7819 2.8380 2.9336 2.9729 3.1226 3.1495 3.2108 3.2547 3.5022 3.5433 3.7046 3.8205 4.0480 4.1164 4.3589 4.3759 5.8749 5.8888 6.1748 6.1882 6.3169 6.3228 6.4666 6.4750 6.4931 6.5014 8.2752 8.3537 8.5765 8.6064 8.9126 8.9263 9.0101 9.0546 k = 0.0429 0.5000 0.0429 ( 10402 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7013 -5.7001 -5.6976 -5.6954 -5.4398 -5.4397 -5.4172 -5.4156 -3.3995 -3.3903 -3.3703 -3.3657 -3.3232 -3.3077 -3.2983 -3.2855 -3.2751 -3.2701 -3.0498 -3.0446 -2.7597 -2.7421 -2.7409 -2.7369 -2.7024 -2.6997 -2.6745 -2.6705 -2.6511 -2.6505 -2.5963 -2.5957 -2.5773 -2.5761 -2.3465 -2.3399 -2.2359 -2.2262 0.8715 0.9045 1.3921 1.4185 2.1133 2.1367 2.4272 2.4513 2.8145 2.8764 2.9473 2.9717 3.1009 3.1103 3.1815 3.2113 3.4973 3.5302 3.7159 3.8044 4.0622 4.1144 4.3674 4.3812 5.8716 5.8821 6.1781 6.1885 6.3131 6.3173 6.4737 6.4802 6.4900 6.4970 8.2795 8.3448 8.5334 8.5608 8.9027 8.9315 8.9809 9.0326 k = 0.0286 0.5000 0.0286 ( 10402 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7026 -5.7018 -5.6986 -5.6972 -5.4385 -5.4385 -5.4156 -5.4145 -3.3981 -3.3921 -3.3691 -3.3659 -3.3211 -3.3109 -3.2946 -3.2838 -3.2770 -3.2753 -3.0483 -3.0448 -2.7568 -2.7443 -2.7407 -2.7374 -2.7021 -2.7002 -2.6742 -2.6715 -2.6514 -2.6511 -2.5966 -2.5963 -2.5781 -2.5771 -2.3436 -2.3390 -2.2327 -2.2260 0.8735 0.8958 1.3993 1.4172 2.1278 2.1430 2.4381 2.4557 2.8489 2.9074 2.9530 2.9657 3.0835 3.0930 3.1554 3.1695 3.4958 3.5188 3.7285 3.7883 4.0751 4.1103 4.3750 4.3848 5.8697 5.8768 6.1811 6.1881 6.3102 6.3129 6.4791 6.4835 6.4888 6.4938 8.2839 8.3306 8.5072 8.5279 8.8900 8.9115 8.9842 9.0208 k = 0.0143 0.5000 0.0143 ( 10408 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.7033 -5.7029 -5.6991 -5.6984 -5.4378 -5.4377 -5.4146 -5.4140 -3.3967 -3.3937 -3.3681 -3.3664 -3.3189 -3.3138 -3.2904 -3.2819 -3.2811 -3.2782 -3.0471 -3.0453 -2.7538 -2.7475 -2.7397 -2.7380 -2.7016 -2.7007 -2.6737 -2.6724 -2.6517 -2.6515 -2.5968 -2.5967 -2.5784 -2.5779 -2.3414 -2.3390 -2.2300 -2.2265 0.8769 0.8882 1.4054 1.4144 2.1378 2.1453 2.4475 2.4567 2.8842 2.9291 2.9481 2.9506 3.0794 3.0983 3.1308 3.1323 3.4976 3.5094 3.7423 3.7724 4.0865 4.1043 4.3811 4.3861 5.8693 5.8729 6.1836 6.1871 6.3086 6.3099 6.4823 6.4840 6.4898 6.4920 8.2903 8.3145 8.4957 8.5066 8.8816 8.8920 8.9950 9.0128 k = 0.0000 0.5000-0.0000 ( 10436 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.7034 -5.7034 -5.6990 -5.6990 -5.4375 -5.4375 -5.4140 -5.4140 -3.3953 -3.3953 -3.3672 -3.3672 -3.3166 -3.3166 -3.2859 -3.2859 -3.2802 -3.2802 -3.0462 -3.0462 -2.7507 -2.7507 -2.7389 -2.7389 -2.7012 -2.7012 -2.6732 -2.6732 -2.6518 -2.6518 -2.5969 -2.5969 -2.5783 -2.5783 -2.3399 -2.3399 -2.2280 -2.2280 0.8818 0.8818 1.4104 1.4104 2.1436 2.1436 2.4540 2.4540 2.9187 2.9187 2.9425 2.9425 3.0983 3.0983 3.1129 3.1129 3.5022 3.5022 3.7570 3.7570 4.0963 4.0963 4.3848 4.3848 5.8704 5.8704 6.1856 6.1856 6.3085 6.3085 6.4835 6.4835 6.4910 6.4910 8.3005 8.3005 8.4959 8.4959 8.8818 8.8818 9.0047 9.0047 k = 0.5000 0.5000-0.0000 ( 10328 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5652 -5.5652 -5.5544 -5.5544 -5.5479 -5.5479 -3.3857 -3.3857 -3.3840 -3.3840 -3.3441 -3.3441 -3.2857 -3.2857 -3.1605 -3.1605 -3.1080 -3.1080 -2.7720 -2.7720 -2.7384 -2.7384 -2.6874 -2.6874 -2.6550 -2.6550 -2.6188 -2.6188 -2.5383 -2.5383 -2.5287 -2.5287 -2.4694 -2.4694 -2.3374 -2.3374 1.2179 1.2179 1.2960 1.2960 1.5242 1.5242 2.2068 2.2068 2.6663 2.6663 2.9690 2.9690 3.1413 3.1413 3.1478 3.1478 4.0220 4.0220 4.0713 4.0713 4.1250 4.1250 4.4074 4.4074 6.0877 6.0877 6.1633 6.1633 6.3120 6.3120 6.6018 6.6018 6.6177 6.6177 8.3654 8.3654 8.3920 8.3920 8.7758 8.7758 9.5176 9.5176 k = 0.5000 0.5000 0.0200 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5651 -5.5651 -5.5544 -5.5544 -5.5479 -5.5479 -3.3861 -3.3861 -3.3842 -3.3842 -3.3440 -3.3440 -3.2853 -3.2853 -3.1611 -3.1611 -3.1078 -3.1078 -2.7721 -2.7721 -2.7386 -2.7386 -2.6878 -2.6878 -2.6548 -2.6548 -2.6188 -2.6188 -2.5381 -2.5381 -2.5288 -2.5288 -2.4693 -2.4693 -2.3374 -2.3374 1.2150 1.2150 1.2927 1.2927 1.5188 1.5188 2.1991 2.1991 2.6766 2.6766 2.9734 2.9734 3.1452 3.1452 3.1530 3.1530 4.0220 4.0220 4.0720 4.0720 4.1254 4.1254 4.4077 4.4077 6.0861 6.0861 6.1662 6.1662 6.3115 6.3115 6.6018 6.6018 6.6177 6.6177 8.3612 8.3612 8.3881 8.3881 8.7683 8.7683 9.5160 9.5160 k = 0.5000 0.5000 0.0400 ( 10384 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5649 -5.5649 -5.5545 -5.5545 -5.5478 -5.5478 -3.3869 -3.3869 -3.3846 -3.3846 -3.3435 -3.3435 -3.2838 -3.2838 -3.1623 -3.1623 -3.1070 -3.1070 -2.7723 -2.7723 -2.7389 -2.7389 -2.6887 -2.6887 -2.6540 -2.6540 -2.6186 -2.6186 -2.5371 -2.5371 -2.5288 -2.5288 -2.4685 -2.4685 -2.3369 -2.3369 1.2066 1.2066 1.2830 1.2830 1.5028 1.5028 2.1776 2.1776 2.7058 2.7058 2.9866 2.9866 3.1567 3.1567 3.1683 3.1683 4.0220 4.0220 4.0743 4.0743 4.1268 4.1268 4.4088 4.4088 6.0822 6.0822 6.1743 6.1743 6.3100 6.3100 6.6022 6.6022 6.6182 6.6182 8.3488 8.3488 8.3761 8.3761 8.7461 8.7461 9.5111 9.5111 k = 0.5000 0.5000 0.0600 ( 10396 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5646 -5.5646 -5.5546 -5.5546 -5.5477 -5.5477 -3.3881 -3.3881 -3.3853 -3.3853 -3.3426 -3.3426 -3.2815 -3.2815 -3.1643 -3.1643 -3.1057 -3.1057 -2.7725 -2.7725 -2.7393 -2.7393 -2.6900 -2.6900 -2.6528 -2.6528 -2.6183 -2.6183 -2.5357 -2.5357 -2.5286 -2.5286 -2.4671 -2.4671 -2.3360 -2.3360 1.1930 1.1930 1.2672 1.2672 1.4774 1.4774 2.1458 2.1458 2.7500 2.7500 3.0079 3.0079 3.1755 3.1755 3.1930 3.1930 4.0222 4.0222 4.0781 4.0781 4.1290 4.1290 4.4105 4.4105 6.0772 6.0772 6.1864 6.1864 6.3076 6.3076 6.6028 6.6028 6.6188 6.6188 8.3282 8.3282 8.3563 8.3563 8.7103 8.7103 9.5020 9.5020 k = 0.5000 0.5000 0.0800 ( 10392 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5642 -5.5642 -5.5547 -5.5547 -5.5475 -5.5475 -3.3896 -3.3896 -3.3862 -3.3862 -3.3413 -3.3413 -3.2783 -3.2783 -3.1668 -3.1668 -3.1041 -3.1041 -2.7728 -2.7728 -2.7398 -2.7398 -2.6918 -2.6918 -2.6512 -2.6512 -2.6178 -2.6178 -2.5344 -2.5344 -2.5277 -2.5277 -2.4653 -2.4653 -2.3349 -2.3349 1.1745 1.1745 1.2460 1.2460 1.4441 1.4441 2.1073 2.1073 2.8053 2.8053 3.0364 3.0364 3.2010 3.2010 3.2259 3.2259 4.0225 4.0225 4.0835 4.0835 4.1322 4.1322 4.4130 4.4130 6.0720 6.0720 6.2013 6.2013 6.3043 6.3043 6.6036 6.6036 6.6198 6.6198 8.2998 8.2998 8.3289 8.3289 8.6622 8.6622 9.4879 9.4879 k = 0.5000 0.5000 0.1000 ( 10384 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5699 -5.5699 -5.5637 -5.5637 -5.5549 -5.5549 -5.5473 -5.5473 -3.3913 -3.3913 -3.3873 -3.3873 -3.3398 -3.3398 -3.2744 -3.2744 -3.1697 -3.1697 -3.1024 -3.1024 -2.7732 -2.7732 -2.7404 -2.7404 -2.6938 -2.6938 -2.6494 -2.6494 -2.6172 -2.6172 -2.5338 -2.5338 -2.5254 -2.5254 -2.4630 -2.4630 -2.3334 -2.3334 1.1520 1.1520 1.2202 1.2202 1.4045 1.4045 2.0647 2.0647 2.8686 2.8686 3.0712 3.0712 3.2323 3.2323 3.2658 3.2658 4.0230 4.0230 4.0907 4.0907 4.1362 4.1362 4.4162 4.4162 6.0672 6.0672 6.2183 6.2183 6.3005 6.3005 6.6046 6.6046 6.6209 6.6209 8.2637 8.2637 8.2942 8.2942 8.6034 8.6034 9.4677 9.4677 k = 0.5000 0.5000 0.1200 ( 10376 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5698 -5.5698 -5.5631 -5.5631 -5.5551 -5.5551 -5.5471 -5.5471 -3.3932 -3.3932 -3.3886 -3.3886 -3.3379 -3.3379 -3.2700 -3.2700 -3.1729 -3.1729 -3.1006 -3.1006 -2.7737 -2.7737 -2.7410 -2.7410 -2.6960 -2.6960 -2.6474 -2.6474 -2.6165 -2.6165 -2.5339 -2.5339 -2.5218 -2.5218 -2.4604 -2.4604 -2.3317 -2.3317 1.1259 1.1259 1.1906 1.1906 1.3603 1.3603 2.0198 2.0198 2.9378 2.9378 3.1110 3.1110 3.2686 3.2686 3.3114 3.3114 4.0238 4.0238 4.0998 4.0998 4.1411 4.1411 4.4202 4.4202 6.0633 6.0633 6.2366 6.2366 6.2964 6.2964 6.6058 6.6058 6.6223 6.6223 8.2206 8.2206 8.2525 8.2525 8.5356 8.5356 9.4404 9.4404 k = 0.5000 0.5000 0.1400 ( 10392 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5697 -5.5697 -5.5624 -5.5624 -5.5553 -5.5553 -5.5469 -5.5469 -3.3953 -3.3953 -3.3900 -3.3900 -3.3358 -3.3358 -3.2652 -3.2652 -3.1764 -3.1764 -3.0989 -3.0989 -2.7744 -2.7744 -2.7417 -2.7417 -2.6983 -2.6983 -2.6453 -2.6453 -2.6157 -2.6157 -2.5344 -2.5344 -2.5173 -2.5173 -2.4574 -2.4574 -2.3298 -2.3298 1.0971 1.0971 1.1580 1.1580 1.3129 1.3129 1.9737 1.9737 3.0110 3.0110 3.1549 3.1549 3.3088 3.3088 3.3614 3.3614 4.0250 4.0250 4.1109 4.1109 4.1466 4.1466 4.4250 4.4250 6.0602 6.0602 6.2547 6.2547 6.2935 6.2935 6.6070 6.6070 6.6238 6.6238 8.1710 8.1710 8.2045 8.2045 8.4607 8.4607 9.4055 9.4055 k = 0.5000 0.5000 0.1600 ( 10400 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5696 -5.5696 -5.5617 -5.5617 -5.5555 -5.5555 -5.5466 -5.5466 -3.3974 -3.3974 -3.3915 -3.3915 -3.3335 -3.3335 -3.2602 -3.2602 -3.1798 -3.1798 -3.0973 -3.0973 -2.7752 -2.7752 -2.7424 -2.7424 -2.7008 -2.7008 -2.6430 -2.6430 -2.6150 -2.6150 -2.5352 -2.5352 -2.5122 -2.5122 -2.4542 -2.4542 -2.3277 -2.3277 1.0662 1.0662 1.1233 1.1233 1.2636 1.2636 1.9273 1.9273 3.0869 3.0869 3.2015 3.2015 3.3519 3.3519 3.4148 3.4148 4.0267 4.0267 4.1245 4.1245 4.1529 4.1529 4.4307 4.4307 6.0584 6.0584 6.2663 6.2663 6.2979 6.2979 6.6082 6.6082 6.6255 6.6255 8.1156 8.1156 8.1509 8.1509 8.3801 8.3801 9.3627 9.3627 k = 0.5000 0.5000 0.1800 ( 10392 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5694 -5.5694 -5.5610 -5.5610 -5.5557 -5.5557 -5.5464 -5.5464 -3.3995 -3.3995 -3.3930 -3.3930 -3.3310 -3.3310 -3.2550 -3.2550 -3.1831 -3.1831 -3.0958 -3.0958 -2.7760 -2.7760 -2.7429 -2.7429 -2.7032 -2.7032 -2.6407 -2.6407 -2.6141 -2.6141 -2.5359 -2.5359 -2.5064 -2.5064 -2.4507 -2.4507 -2.3253 -2.3253 1.0340 1.0340 1.0872 1.0872 1.2135 1.2135 1.8814 1.8814 3.1644 3.1644 3.2498 3.2498 3.3967 3.3967 3.4706 3.4706 4.0289 4.0289 4.1408 4.1408 4.1598 4.1598 4.4374 4.4374 6.0577 6.0577 6.2660 6.2660 6.3151 6.3151 6.6094 6.6094 6.6272 6.6272 8.0554 8.0554 8.0925 8.0925 8.2953 8.2953 9.3124 9.3124 k = 0.5000 0.5000 0.2000 ( 10392 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5693 -5.5693 -5.5602 -5.5602 -5.5559 -5.5559 -5.5462 -5.5462 -3.4015 -3.4015 -3.3946 -3.3946 -3.3282 -3.3282 -3.2500 -3.2500 -3.1861 -3.1861 -3.0946 -3.0946 -2.7770 -2.7770 -2.7434 -2.7434 -2.7056 -2.7056 -2.6383 -2.6383 -2.6134 -2.6134 -2.5368 -2.5368 -2.5002 -2.5002 -2.4470 -2.4470 -2.3229 -2.3229 1.0011 1.0011 1.0505 1.0505 1.1634 1.1634 1.8363 1.8363 3.2423 3.2423 3.2988 3.2988 3.4422 3.4422 3.5278 3.5278 4.0319 4.0319 4.1602 4.1602 4.1673 4.1673 4.4452 4.4452 6.0583 6.0583 6.2604 6.2604 6.3384 6.3384 6.6104 6.6104 6.6289 6.6289 7.9914 7.9914 8.0302 8.0302 8.2077 8.2077 9.2554 9.2554 k = 0.5000 0.5000 0.2200 ( 10384 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5690 -5.5690 -5.5594 -5.5594 -5.5561 -5.5561 -5.5460 -5.5460 -3.4035 -3.4035 -3.3962 -3.3962 -3.3253 -3.3253 -3.2454 -3.2454 -3.1885 -3.1885 -3.0937 -3.0937 -2.7781 -2.7781 -2.7437 -2.7437 -2.7080 -2.7080 -2.6358 -2.6358 -2.6126 -2.6126 -2.5377 -2.5377 -2.4937 -2.4937 -2.4433 -2.4433 -2.3204 -2.3204 0.9681 0.9681 1.0137 1.0137 1.1141 1.1141 1.7926 1.7926 3.3193 3.3193 3.3477 3.3477 3.4872 3.4872 3.5858 3.5858 4.0357 4.0357 4.1750 4.1750 4.1830 4.1830 4.4541 4.4541 6.0602 6.0602 6.2530 6.2530 6.3640 6.3640 6.6113 6.6113 6.6305 6.6305 7.9244 7.9244 7.9650 7.9650 8.1185 8.1185 9.1928 9.1928 k = 0.5000 0.5000 0.2400 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5688 -5.5688 -5.5586 -5.5586 -5.5563 -5.5563 -5.5458 -5.5458 -3.4053 -3.4053 -3.3978 -3.3978 -3.3222 -3.3222 -3.2415 -3.2415 -3.1900 -3.1900 -3.0932 -3.0932 -2.7793 -2.7793 -2.7439 -2.7439 -2.7104 -2.7104 -2.6333 -2.6333 -2.6118 -2.6118 -2.5386 -2.5386 -2.4870 -2.4870 -2.4395 -2.4395 -2.3177 -2.3177 0.9354 0.9354 0.9774 0.9774 1.0661 1.0661 1.7507 1.7507 3.3904 3.3904 3.3995 3.3995 3.5308 3.5308 3.6439 3.6439 4.0407 4.0407 4.1831 4.1831 4.2096 4.2096 4.4642 4.4642 6.0634 6.0634 6.2450 6.2450 6.3907 6.3907 6.6120 6.6120 6.6319 6.6319 7.8557 7.8557 7.8977 7.8977 8.0288 8.0288 9.1259 9.1259 k = 0.5000 0.5000 0.2600 ( 10372 PWs) bands (ev): -65.3271 -65.3271 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5685 -5.5685 -5.5578 -5.5578 -5.5563 -5.5563 -5.5457 -5.5457 -3.4070 -3.4070 -3.3994 -3.3994 -3.3190 -3.3190 -3.2388 -3.2388 -3.1904 -3.1904 -3.0930 -3.0930 -2.7805 -2.7805 -2.7439 -2.7439 -2.7127 -2.7127 -2.6309 -2.6309 -2.6111 -2.6111 -2.5395 -2.5395 -2.4801 -2.4801 -2.4358 -2.4358 -2.3151 -2.3151 0.9037 0.9037 0.9422 0.9422 1.0200 1.0200 1.7108 1.7108 3.4389 3.4389 3.4688 3.4688 3.5719 3.5719 3.7017 3.7017 4.0471 4.0471 4.1911 4.1911 4.2399 4.2399 4.4758 4.4758 6.0679 6.0679 6.2367 6.2367 6.4180 6.4180 6.6123 6.6123 6.6331 6.6331 7.7863 7.7863 7.8296 7.8296 7.9398 7.9398 9.0561 9.0561 k = 0.5000 0.5000 0.2800 ( 10348 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5683 -5.5683 -5.5574 -5.5574 -5.5560 -5.5560 -5.5456 -5.5456 -3.4084 -3.4084 -3.4009 -3.4009 -3.3156 -3.3156 -3.2375 -3.2375 -3.1893 -3.1893 -3.0931 -3.0931 -2.7817 -2.7817 -2.7438 -2.7438 -2.7149 -2.7149 -2.6284 -2.6284 -2.6105 -2.6105 -2.5403 -2.5403 -2.4732 -2.4732 -2.4321 -2.4321 -2.3126 -2.3126 0.8732 0.8732 0.9083 0.9083 0.9761 0.9761 1.6731 1.6731 3.4818 3.4818 3.5365 3.5365 3.6100 3.6100 3.7589 3.7589 4.0551 4.0551 4.1990 4.1990 4.2738 4.2738 4.4888 4.4888 6.0738 6.0738 6.2284 6.2284 6.4453 6.4453 6.6122 6.6122 6.6339 6.6339 7.7174 7.7174 7.7616 7.7616 7.8525 7.8525 8.9849 8.9849 k = 0.5000 0.5000 0.3000 ( 10340 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5680 -5.5680 -5.5574 -5.5574 -5.5554 -5.5554 -5.5455 -5.5455 -3.4098 -3.4098 -3.4025 -3.4025 -3.3122 -3.3122 -3.2377 -3.2377 -3.1868 -3.1868 -3.0936 -3.0936 -2.7829 -2.7829 -2.7435 -2.7435 -2.7171 -2.7171 -2.6260 -2.6260 -2.6099 -2.6099 -2.5412 -2.5412 -2.4663 -2.4663 -2.4286 -2.4286 -2.3101 -2.3101 0.8445 0.8445 0.8763 0.8763 0.9348 0.9348 1.6381 1.6381 3.5214 3.5214 3.5984 3.5984 3.6444 3.6444 3.8151 3.8151 4.0651 4.0651 4.2065 4.2065 4.3109 4.3109 4.5034 4.5034 6.0810 6.0810 6.2201 6.2201 6.4719 6.4719 6.6117 6.6117 6.6343 6.6343 7.6500 7.6500 7.6946 7.6946 7.7681 7.7681 8.9135 8.9135 k = 0.5000 0.5000 0.3200 ( 10340 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5677 -5.5677 -5.5576 -5.5576 -5.5546 -5.5546 -5.5455 -5.5455 -3.4110 -3.4110 -3.4040 -3.4040 -3.3086 -3.3086 -3.2392 -3.2392 -3.1830 -3.1830 -3.0945 -3.0945 -2.7841 -2.7841 -2.7432 -2.7432 -2.7193 -2.7193 -2.6237 -2.6237 -2.6094 -2.6094 -2.5420 -2.5420 -2.4595 -2.4595 -2.4255 -2.4255 -2.3077 -2.3077 0.8177 0.8177 0.8464 0.8464 0.8965 0.8965 1.6057 1.6057 3.5573 3.5573 3.6530 3.6530 3.6752 3.6752 3.8702 3.8702 4.0773 4.0773 4.2133 4.2133 4.3504 4.3504 4.5192 4.5192 6.0895 6.0895 6.2121 6.2121 6.4972 6.4972 6.6108 6.6108 6.6342 6.6342 7.5854 7.5854 7.6298 7.6298 7.6877 7.6877 8.8433 8.8433 k = 0.5000 0.5000 0.3400 ( 10340 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5674 -5.5674 -5.5577 -5.5577 -5.5537 -5.5537 -5.5456 -5.5456 -3.4119 -3.4119 -3.4054 -3.4054 -3.3049 -3.3049 -3.2416 -3.2416 -3.1785 -3.1785 -3.0957 -3.0957 -2.7853 -2.7853 -2.7427 -2.7427 -2.7213 -2.7213 -2.6215 -2.6215 -2.6090 -2.6090 -2.5428 -2.5428 -2.4531 -2.4531 -2.4226 -2.4226 -2.3056 -2.3056 0.7933 0.7933 0.8189 0.8189 0.8612 0.8612 1.5764 1.5764 3.5892 3.5892 3.6986 3.6986 3.7028 3.7028 3.9237 3.9237 4.0919 4.0919 4.2192 4.2192 4.3913 4.3913 4.5363 4.5363 6.0992 6.0992 6.2046 6.2046 6.5202 6.5202 6.6095 6.6095 6.6336 6.6336 7.5246 7.5246 7.5681 7.5681 7.6126 7.6126 8.7754 8.7754 k = 0.5000 0.5000 0.3600 ( 10328 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5671 -5.5671 -5.5579 -5.5579 -5.5529 -5.5529 -5.5456 -5.5456 -3.4127 -3.4127 -3.4067 -3.4067 -3.3011 -3.3011 -3.2447 -3.2447 -3.1735 -3.1735 -3.0973 -3.0973 -2.7863 -2.7863 -2.7420 -2.7420 -2.7233 -2.7233 -2.6193 -2.6193 -2.6087 -2.6087 -2.5436 -2.5436 -2.4468 -2.4468 -2.4201 -2.4201 -2.3036 -2.3036 0.7715 0.7715 0.7941 0.7941 0.8294 0.8294 1.5501 1.5501 3.6170 3.6170 3.7257 3.7257 3.7368 3.7368 3.9746 3.9746 4.1086 4.1086 4.2239 4.2239 4.4323 4.4323 4.5540 4.5540 6.1101 6.1101 6.1977 6.1977 6.5402 6.5402 6.6078 6.6078 6.6325 6.6325 7.4689 7.4689 7.5105 7.5105 7.5439 7.5439 8.7112 8.7112 k = 0.5000 0.5000 0.3800 ( 10332 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5668 -5.5668 -5.5581 -5.5581 -5.5521 -5.5521 -5.5458 -5.5458 -3.4133 -3.4133 -3.4080 -3.4080 -3.2972 -3.2972 -3.2482 -3.2482 -3.1683 -3.1683 -3.0992 -3.0992 -2.7872 -2.7872 -2.7413 -2.7413 -2.7252 -2.7252 -2.6174 -2.6174 -2.6085 -2.6085 -2.5443 -2.5443 -2.4410 -2.4410 -2.4180 -2.4180 -2.3018 -2.3018 0.7526 0.7526 0.7722 0.7722 0.8011 0.8011 1.5270 1.5270 3.6406 3.6406 3.7464 3.7464 3.7656 3.7656 4.0217 4.0217 4.1271 4.1271 4.2272 4.2272 4.4721 4.4721 4.5717 4.5717 6.1216 6.1216 6.1915 6.1915 6.5564 6.5564 6.6059 6.6059 6.6308 6.6308 7.4192 7.4192 7.4580 7.4580 7.4828 7.4828 8.6519 8.6519 k = 0.5000 0.5000 0.4000 ( 10332 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5666 -5.5666 -5.5582 -5.5582 -5.5513 -5.5513 -5.5460 -5.5460 -3.4137 -3.4137 -3.4091 -3.4091 -3.2933 -3.2933 -3.2520 -3.2520 -3.1632 -3.1632 -3.1013 -3.1013 -2.7881 -2.7881 -2.7404 -2.7404 -2.7270 -2.7270 -2.6156 -2.6156 -2.6083 -2.6083 -2.5449 -2.5449 -2.4357 -2.4357 -2.4165 -2.4165 -2.3003 -2.3003 0.7366 0.7366 0.7533 0.7533 0.7764 0.7764 1.5073 1.5073 3.6601 3.6601 3.7643 3.7643 3.7870 3.7870 4.0635 4.0635 4.1468 4.1468 4.2290 4.2290 4.5094 4.5094 4.5885 4.5885 6.1335 6.1335 6.1861 6.1861 6.5685 6.5685 6.6039 6.6039 6.6284 6.6284 7.3765 7.3765 7.4118 7.4118 7.4301 7.4301 8.5987 8.5987 k = 0.5000 0.5000 0.4200 ( 10332 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5664 -5.5664 -5.5584 -5.5584 -5.5505 -5.5505 -5.5463 -5.5463 -3.4140 -3.4140 -3.4102 -3.4102 -3.2893 -3.2893 -3.2560 -3.2560 -3.1584 -3.1584 -3.1036 -3.1036 -2.7888 -2.7888 -2.7395 -2.7395 -2.7287 -2.7287 -2.6140 -2.6140 -2.6083 -2.6083 -2.5454 -2.5454 -2.4309 -2.4309 -2.4155 -2.4155 -2.2990 -2.2990 0.7238 0.7238 0.7377 0.7377 0.7555 0.7555 1.4910 1.4910 3.6755 3.6755 3.7796 3.7796 3.8018 3.8018 4.0988 4.0988 4.1667 4.1667 4.2291 4.2291 4.5429 4.5429 4.6033 4.6033 6.1451 6.1451 6.1815 6.1815 6.5770 6.5770 6.6019 6.6019 6.6251 6.6251 7.3415 7.3415 7.3730 7.3730 7.3863 7.3863 8.5529 8.5529 k = 0.5000 0.5000 0.4400 ( 10324 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5662 -5.5662 -5.5585 -5.5585 -5.5498 -5.5498 -5.5466 -5.5466 -3.4140 -3.4140 -3.4112 -3.4112 -3.2851 -3.2851 -3.2601 -3.2601 -3.1541 -3.1541 -3.1058 -3.1058 -2.7894 -2.7894 -2.7385 -2.7385 -2.7303 -2.7303 -2.6126 -2.6126 -2.6084 -2.6084 -2.5459 -2.5459 -2.4266 -2.4266 -2.4150 -2.4150 -2.2980 -2.2980 0.7144 0.7144 0.7255 0.7255 0.7386 0.7386 1.4783 1.4783 3.6872 3.6872 3.7924 3.7924 3.8113 3.8113 4.1268 4.1268 4.1854 4.1854 4.2277 4.2277 4.5716 4.5716 4.6151 4.6151 6.1557 6.1557 6.1780 6.1780 6.5831 6.5831 6.6000 6.6000 6.6204 6.6204 7.3146 7.3146 7.3426 7.3426 7.3516 7.3516 8.5157 8.5157 k = 0.5000 0.5000 0.4600 ( 10356 PWs) bands (ev): -65.3270 -65.3270 -37.3929 -37.3929 -36.3673 -36.3673 -36.3673 -36.3673 -5.5661 -5.5661 -5.5586 -5.5586 -5.5491 -5.5491 -5.5470 -5.5470 -3.4140 -3.4140 -3.4121 -3.4121 -3.2811 -3.2811 -3.2643 -3.2643 -3.1507 -3.1507 -3.1078 -3.1078 -2.7898 -2.7898 -2.7374 -2.7374 -2.7320 -2.7320 -2.6115 -2.6115 -2.6087 -2.6087 -2.5462 -2.5462 -2.4230 -2.4230 -2.4153 -2.4153 -2.2973 -2.2973 0.7082 0.7082 0.7169 0.7169 0.7255 0.7255 1.4691 1.4691 3.6953 3.6953 3.8027 3.8027 3.8163 3.8163 4.1473 4.1473 4.2010 4.2010 4.2250 4.2250 4.5945 4.5945 4.6226 4.6226 6.1643 6.1643 6.1754 6.1754 6.5883 6.5883 6.5984 6.5984 6.6143 6.6143 7.2961 7.2961 7.3210 7.3210 7.3260 7.3260 8.4882 8.4882 k = 0.5000 0.5000 0.4800 ( 10428 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3673 -36.3673 -5.5660 -5.5660 -5.5586 -5.5586 -5.5485 -5.5485 -5.5474 -5.5474 -3.4139 -3.4139 -3.4129 -3.4129 -3.2771 -3.2771 -3.2687 -3.2687 -3.1486 -3.1486 -3.1093 -3.1093 -2.7902 -2.7902 -2.7363 -2.7363 -2.7336 -2.7336 -2.6107 -2.6107 -2.6093 -2.6093 -2.5465 -2.5465 -2.4203 -2.4203 -2.4164 -2.4164 -2.2970 -2.2970 0.7050 0.7050 0.7123 0.7123 0.7166 0.7166 1.4636 1.4636 3.7000 3.7000 3.8104 3.8104 3.8175 3.8175 4.1604 4.1604 4.2119 4.2119 4.2216 4.2216 4.6112 4.6112 4.6249 4.6249 6.1699 6.1699 6.1737 6.1737 6.5936 6.5936 6.5973 6.5973 6.6073 6.6073 7.2854 7.2854 7.3082 7.3082 7.3100 7.3100 8.4713 8.4713 k = 0.5000 0.5000 0.5000 ( 10432 PWs) bands (ev): -65.3271 -65.3271 -37.3930 -37.3930 -36.3674 -36.3674 -36.3674 -36.3674 -5.5660 -5.5660 -5.5587 -5.5587 -5.5480 -5.5480 -5.5480 -5.5480 -3.4135 -3.4135 -3.4135 -3.4135 -3.2729 -3.2729 -3.2729 -3.2729 -3.1478 -3.1478 -3.1098 -3.1098 -2.7903 -2.7903 -2.7350 -2.7350 -2.7350 -2.7350 -2.6099 -2.6099 -2.6099 -2.6099 -2.5466 -2.5466 -2.4180 -2.4180 -2.4180 -2.4180 -2.2969 -2.2969 0.7041 0.7041 0.7121 0.7121 0.7121 0.7121 1.4618 1.4618 3.7016 3.7016 3.8154 3.8154 3.8154 3.8154 4.1650 4.1650 4.2179 4.2179 4.2179 4.2179 4.6213 4.6213 4.6213 4.6213 6.1725 6.1725 6.1725 6.1725 6.5963 6.5963 6.6004 6.6004 6.6004 6.6004 7.2820 7.2820 7.3043 7.3043 7.3043 7.3043 8.4656 8.4656 Writing output data file CrCd3Te4.save init_run : 4.16s CPU 12.33s WALL ( 1 calls) electrons : 1748.00s CPU 1763.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.70s WALL ( 1 calls) Called by electrons: c_bands : 1747.97s CPU 1763.01s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.90s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.58s WALL ( 1 calls) newd : 1.42s CPU 1.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.15s WALL ( 194 calls) cegterg : 1668.46s CPU 1680.90s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 811.64s CPU 819.56s WALL ( 7680 calls) s_psi : 62.87s CPU 63.14s WALL ( 7680 calls) g_psi : 1.97s CPU 1.93s WALL ( 7026 calls) cdiaghg : 543.31s CPU 542.50s WALL ( 7220 calls) cegterg:over : 144.23s CPU 143.25s WALL ( 7026 calls) cegterg:upda : 60.80s CPU 62.29s WALL ( 7026 calls) cegterg:last : 49.32s CPU 49.71s WALL ( 1352 calls) Called by h_psi: h_psi:vloc : 669.89s CPU 675.46s WALL ( 7680 calls) h_psi:vnl : 140.27s CPU 141.93s WALL ( 7680 calls) add_vuspsi : 56.51s CPU 58.46s WALL ( 7680 calls) General routines calbec : 83.72s CPU 83.37s WALL ( 7680 calls) fft : 0.51s CPU 1.35s WALL ( 19 calls) ffts : 0.09s CPU 0.09s WALL ( 4 calls) fftw : 583.87s CPU 585.70s WALL ( 1412996 calls) interpolate : 0.16s CPU 0.21s WALL ( 4 calls) davcio : 0.03s CPU 1.39s WALL ( 388 calls) Parallel routines fft_scatter : 335.97s CPU 334.00s WALL ( 1413019 calls) PWSCF : 30m27.90s CPU 32m41.75s WALL This run was terminated on: 12:30:59 29Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=