Program PWSCF v.5.1.1 starts on 30Oct2015 at 20:49:27 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: ./Al3GaN4.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 20 6 1166 470 78 Max 37 21 7 1173 489 81 Sum 1765 973 293 56115 22887 3791 bravais-lattice index = 14 lattice parameter (alat) = 8.3318 a.u. unit-cell volume = 578.3847 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.331802 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Al 3.00 26.98150 Al( 1.00) Ga 13.00 69.72300 Ga( 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0035971 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0035971 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0035971 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0035971 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0035971 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0035971 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0035971 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0035971 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0035971 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0035971 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0035971 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0035971 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0035971 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0035971 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0035971 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0035971 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0035971 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0035971 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0035971 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0035971 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0035971 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0035971 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0035971 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0035971 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0035971 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0035971 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0035971 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0035971 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0035971 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0035971 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0035971 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0035971 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0035971 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0035971 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0035971 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0035971 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0035971 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0035971 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0035971 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0035971 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0035971 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0035971 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035971 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0035971 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0035971 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0035971 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0035971 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0035971 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0035971 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0035971 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0035971 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0035971 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0035971 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0035971 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0035971 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0035971 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0035971 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0035971 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0035971 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0035971 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0035971 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0035971 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0035971 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0035971 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0035971 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0035971 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0035971 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0035971 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0035971 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0035971 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0035971 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0035971 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0035971 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035971 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0035971 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0035971 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0035971 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0035971 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0035971 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0035971 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0035971 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0035971 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0035971 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0035971 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0035971 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0035971 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0035971 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0035971 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0035971 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0035971 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035971 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0035971 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0035971 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0035971 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0035971 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0035971 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0035971 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0035971 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0035971 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0035971 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0035971 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0035971 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0035971 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0035971 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0035971 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0035971 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 128) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0035971 k( 129) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035971 k( 130) = ( 0.0241936 0.0241935 0.0241935), wk = 0.0035971 k( 131) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035971 k( 132) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0035971 k( 133) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035971 k( 134) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0035971 k( 135) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035971 k( 136) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0035971 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035971 k( 138) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0035971 k( 139) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035971 k( 140) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0035971 k( 141) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035971 k( 142) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0035971 k( 143) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035971 k( 144) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0035971 k( 145) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035971 k( 146) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0035971 k( 147) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035971 k( 148) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0035971 k( 149) = ( 0.1774194 0.1774193 0.1774193), wk = 0.0035971 k( 150) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0035971 k( 151) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035971 k( 152) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0035971 k( 153) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035971 k( 154) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0035971 k( 155) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035971 k( 156) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0035971 k( 157) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035971 k( 158) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 159) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035971 k( 160) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0035971 k( 161) = ( 0.2741936 0.2741936 0.2741935), wk = 0.0035971 k( 162) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0035971 k( 163) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035971 k( 164) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0035971 k( 165) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035971 k( 166) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0035971 k( 167) = ( 0.3225807 0.3225806 0.3225806), wk = 0.0035971 k( 168) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0035971 k( 169) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035971 k( 170) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0035971 k( 171) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035971 k( 172) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0035971 k( 173) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035971 k( 174) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0035971 k( 175) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035971 k( 176) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0035971 k( 177) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035971 k( 178) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0035971 k( 179) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035971 k( 180) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0035971 k( 181) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035971 k( 182) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0035971 k( 183) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035971 k( 184) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0035971 k( 185) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035971 k( 186) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0035971 k( 187) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035971 k( 188) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0035971 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 191) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035971 k( 192) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035971 k( 193) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035971 k( 194) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035971 k( 195) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035971 k( 196) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035971 k( 197) = ( 0.4313726 0.5000000 0.4313725), wk = 0.0035971 k( 198) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035971 k( 199) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035971 k( 200) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035971 k( 201) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035971 k( 202) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035971 k( 203) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035971 k( 204) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035971 k( 205) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035971 k( 206) = ( 0.3431373 0.5000000 0.3431372), wk = 0.0035971 k( 207) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035971 k( 208) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035971 k( 209) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035971 k( 210) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035971 k( 211) = ( 0.2941177 0.5000000 0.2941176), wk = 0.0035971 k( 212) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035971 k( 213) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035971 k( 214) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035971 k( 215) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035971 k( 216) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035971 k( 217) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035971 k( 218) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035971 k( 219) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035971 k( 220) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035971 k( 221) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035971 k( 222) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035971 k( 223) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035971 k( 224) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035971 k( 225) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035971 k( 226) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035971 k( 227) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035971 k( 228) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035971 k( 229) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035971 k( 230) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035971 k( 231) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035971 k( 232) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035971 k( 233) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035971 k( 234) = ( 0.0686275 0.5000000 0.0686274), wk = 0.0035971 k( 235) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035971 k( 236) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035971 k( 237) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035971 k( 238) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035971 k( 239) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035971 k( 240) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035971 k( 241) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035971 k( 263) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035971 k( 264) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035971 k( 265) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035971 k( 266) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035971 k( 267) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035971 k( 268) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035971 k( 269) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035971 k( 270) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035971 k( 271) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035971 k( 272) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035971 k( 273) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035971 k( 274) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035971 k( 275) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035971 k( 276) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035971 k( 277) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035971 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0035971 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0035971 k( 4) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0035971 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0035971 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0035971 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0035971 k( 8) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0035971 k( 9) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0035971 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0035971 k( 11) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0035971 k( 12) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0035971 k( 13) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0035971 k( 14) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0035971 k( 15) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0035971 k( 16) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0035971 k( 17) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0035971 k( 18) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0035971 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0035971 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0035971 k( 21) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0035971 k( 22) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0035971 k( 23) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0035971 k( 24) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0035971 k( 25) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0035971 k( 26) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0035971 k( 27) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0035971 k( 28) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0035971 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0035971 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0035971 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0035971 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0035971 k( 33) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0035971 k( 34) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0035971 k( 35) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0035971 k( 36) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0035971 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0035971 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0035971 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0035971 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0035971 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0035971 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0035971 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0035971 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0035971 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0035971 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0035971 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0035971 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0035971 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0035971 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0035971 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0035971 k( 54) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0035971 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0035971 k( 56) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0035971 k( 57) = ( 0.2638889 0.5000000 0.0000000), wk = 0.0035971 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035971 k( 59) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0035971 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0035971 k( 61) = ( 0.3194444 0.5000000 0.0000000), wk = 0.0035971 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0035971 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0035971 k( 64) = ( 0.3611111 0.5000000 0.0000000), wk = 0.0035971 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0035971 k( 66) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0035971 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0035971 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0035971 k( 69) = ( 0.4305556 0.5000000 0.0000000), wk = 0.0035971 k( 70) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0035971 k( 71) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0035971 k( 72) = ( 0.4722222 0.5000000 0.0000000), wk = 0.0035971 k( 73) = ( 0.4861111 0.5000000 0.0000000), wk = 0.0035971 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0035971 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0035971 k( 78) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0035971 k( 79) = ( 0.4607843 0.4607843 0.0000000), wk = 0.0035971 k( 80) = ( 0.4509804 0.4509804 0.0000000), wk = 0.0035971 k( 81) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0035971 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0035971 k( 83) = ( 0.4215686 0.4215686 0.0000000), wk = 0.0035971 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0035971 k( 85) = ( 0.4019608 0.4019608 0.0000000), wk = 0.0035971 k( 86) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0035971 k( 87) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0035971 k( 88) = ( 0.3725490 0.3725490 0.0000000), wk = 0.0035971 k( 89) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0035971 k( 90) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0035971 k( 91) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0035971 k( 92) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0035971 k( 94) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0035971 k( 95) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0035971 k( 96) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0035971 k( 97) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0035971 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0035971 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0035971 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0035971 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0035971 k( 102) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0035971 k( 103) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0035971 k( 104) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0035971 k( 105) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0035971 k( 106) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0035971 k( 107) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0035971 k( 108) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0035971 k( 109) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035971 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0035971 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0035971 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0035971 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0035971 k( 114) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0035971 k( 115) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0035971 k( 116) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0035971 k( 117) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0035971 k( 118) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0035971 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0035971 k( 120) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0035971 k( 121) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0035971 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0035971 k( 123) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0035971 k( 124) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0035971 k( 125) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 128) = ( 0.0080645 0.0080645 0.0080645), wk = 0.0035971 k( 129) = ( 0.0161290 0.0161290 0.0161290), wk = 0.0035971 k( 130) = ( 0.0241936 0.0241936 0.0241936), wk = 0.0035971 k( 131) = ( 0.0322581 0.0322581 0.0322581), wk = 0.0035971 k( 132) = ( 0.0403226 0.0403226 0.0403226), wk = 0.0035971 k( 133) = ( 0.0483871 0.0483871 0.0483871), wk = 0.0035971 k( 134) = ( 0.0564516 0.0564516 0.0564516), wk = 0.0035971 k( 135) = ( 0.0645161 0.0645161 0.0645161), wk = 0.0035971 k( 136) = ( 0.0725806 0.0725806 0.0725806), wk = 0.0035971 k( 137) = ( 0.0806452 0.0806452 0.0806452), wk = 0.0035971 k( 138) = ( 0.0887097 0.0887097 0.0887097), wk = 0.0035971 k( 139) = ( 0.0967742 0.0967742 0.0967742), wk = 0.0035971 k( 140) = ( 0.1048387 0.1048387 0.1048387), wk = 0.0035971 k( 141) = ( 0.1129032 0.1129032 0.1129032), wk = 0.0035971 k( 142) = ( 0.1209677 0.1209677 0.1209677), wk = 0.0035971 k( 143) = ( 0.1290323 0.1290323 0.1290323), wk = 0.0035971 k( 144) = ( 0.1370968 0.1370968 0.1370968), wk = 0.0035971 k( 145) = ( 0.1451613 0.1451613 0.1451613), wk = 0.0035971 k( 146) = ( 0.1532258 0.1532258 0.1532258), wk = 0.0035971 k( 147) = ( 0.1612903 0.1612903 0.1612903), wk = 0.0035971 k( 148) = ( 0.1693548 0.1693548 0.1693548), wk = 0.0035971 k( 149) = ( 0.1774194 0.1774194 0.1774194), wk = 0.0035971 k( 150) = ( 0.1854839 0.1854839 0.1854839), wk = 0.0035971 k( 151) = ( 0.1935484 0.1935484 0.1935484), wk = 0.0035971 k( 152) = ( 0.2016129 0.2016129 0.2016129), wk = 0.0035971 k( 153) = ( 0.2096774 0.2096774 0.2096774), wk = 0.0035971 k( 154) = ( 0.2177419 0.2177419 0.2177419), wk = 0.0035971 k( 155) = ( 0.2258064 0.2258064 0.2258064), wk = 0.0035971 k( 156) = ( 0.2338710 0.2338710 0.2338710), wk = 0.0035971 k( 157) = ( 0.2419355 0.2419355 0.2419355), wk = 0.0035971 k( 158) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 159) = ( 0.2580645 0.2580645 0.2580645), wk = 0.0035971 k( 160) = ( 0.2661290 0.2661290 0.2661290), wk = 0.0035971 k( 161) = ( 0.2741936 0.2741936 0.2741936), wk = 0.0035971 k( 162) = ( 0.2822581 0.2822581 0.2822581), wk = 0.0035971 k( 163) = ( 0.2903226 0.2903226 0.2903226), wk = 0.0035971 k( 164) = ( 0.2983871 0.2983871 0.2983871), wk = 0.0035971 k( 165) = ( 0.3064516 0.3064516 0.3064516), wk = 0.0035971 k( 166) = ( 0.3145161 0.3145161 0.3145161), wk = 0.0035971 k( 167) = ( 0.3225807 0.3225807 0.3225807), wk = 0.0035971 k( 168) = ( 0.3306452 0.3306452 0.3306452), wk = 0.0035971 k( 169) = ( 0.3387097 0.3387097 0.3387097), wk = 0.0035971 k( 170) = ( 0.3467742 0.3467742 0.3467742), wk = 0.0035971 k( 171) = ( 0.3548387 0.3548387 0.3548387), wk = 0.0035971 k( 172) = ( 0.3629032 0.3629032 0.3629032), wk = 0.0035971 k( 173) = ( 0.3709677 0.3709677 0.3709677), wk = 0.0035971 k( 174) = ( 0.3790323 0.3790323 0.3790323), wk = 0.0035971 k( 175) = ( 0.3870968 0.3870968 0.3870968), wk = 0.0035971 k( 176) = ( 0.3951613 0.3951613 0.3951613), wk = 0.0035971 k( 177) = ( 0.4032258 0.4032258 0.4032258), wk = 0.0035971 k( 178) = ( 0.4112903 0.4112903 0.4112903), wk = 0.0035971 k( 179) = ( 0.4193548 0.4193548 0.4193548), wk = 0.0035971 k( 180) = ( 0.4274193 0.4274193 0.4274193), wk = 0.0035971 k( 181) = ( 0.4354839 0.4354839 0.4354839), wk = 0.0035971 k( 182) = ( 0.4435484 0.4435484 0.4435484), wk = 0.0035971 k( 183) = ( 0.4516129 0.4516129 0.4516129), wk = 0.0035971 k( 184) = ( 0.4596774 0.4596774 0.4596774), wk = 0.0035971 k( 185) = ( 0.4677419 0.4677419 0.4677419), wk = 0.0035971 k( 186) = ( 0.4758064 0.4758064 0.4758064), wk = 0.0035971 k( 187) = ( 0.4838710 0.4838710 0.4838710), wk = 0.0035971 k( 188) = ( 0.4919355 0.4919355 0.4919355), wk = 0.0035971 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 190) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 191) = ( 0.4901961 0.5000000 0.4901961), wk = 0.0035971 k( 192) = ( 0.4803922 0.5000000 0.4803922), wk = 0.0035971 k( 193) = ( 0.4705882 0.5000000 0.4705882), wk = 0.0035971 k( 194) = ( 0.4607843 0.5000000 0.4607843), wk = 0.0035971 k( 195) = ( 0.4509804 0.5000000 0.4509804), wk = 0.0035971 k( 196) = ( 0.4411765 0.5000000 0.4411765), wk = 0.0035971 k( 197) = ( 0.4313726 0.5000000 0.4313726), wk = 0.0035971 k( 198) = ( 0.4215686 0.5000000 0.4215686), wk = 0.0035971 k( 199) = ( 0.4117647 0.5000000 0.4117647), wk = 0.0035971 k( 200) = ( 0.4019608 0.5000000 0.4019608), wk = 0.0035971 k( 201) = ( 0.3921569 0.5000000 0.3921569), wk = 0.0035971 k( 202) = ( 0.3823529 0.5000000 0.3823529), wk = 0.0035971 k( 203) = ( 0.3725490 0.5000000 0.3725490), wk = 0.0035971 k( 204) = ( 0.3627451 0.5000000 0.3627451), wk = 0.0035971 k( 205) = ( 0.3529412 0.5000000 0.3529412), wk = 0.0035971 k( 206) = ( 0.3431373 0.5000000 0.3431373), wk = 0.0035971 k( 207) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0035971 k( 208) = ( 0.3235294 0.5000000 0.3235294), wk = 0.0035971 k( 209) = ( 0.3137255 0.5000000 0.3137255), wk = 0.0035971 k( 210) = ( 0.3039216 0.5000000 0.3039216), wk = 0.0035971 k( 211) = ( 0.2941177 0.5000000 0.2941177), wk = 0.0035971 k( 212) = ( 0.2843137 0.5000000 0.2843137), wk = 0.0035971 k( 213) = ( 0.2745098 0.5000000 0.2745098), wk = 0.0035971 k( 214) = ( 0.2647059 0.5000000 0.2647059), wk = 0.0035971 k( 215) = ( 0.2549020 0.5000000 0.2549020), wk = 0.0035971 k( 216) = ( 0.2450980 0.5000000 0.2450980), wk = 0.0035971 k( 217) = ( 0.2352941 0.5000000 0.2352941), wk = 0.0035971 k( 218) = ( 0.2254902 0.5000000 0.2254902), wk = 0.0035971 k( 219) = ( 0.2156863 0.5000000 0.2156863), wk = 0.0035971 k( 220) = ( 0.2058823 0.5000000 0.2058823), wk = 0.0035971 k( 221) = ( 0.1960784 0.5000000 0.1960784), wk = 0.0035971 k( 222) = ( 0.1862745 0.5000000 0.1862745), wk = 0.0035971 k( 223) = ( 0.1764706 0.5000000 0.1764706), wk = 0.0035971 k( 224) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0035971 k( 225) = ( 0.1568627 0.5000000 0.1568627), wk = 0.0035971 k( 226) = ( 0.1470588 0.5000000 0.1470588), wk = 0.0035971 k( 227) = ( 0.1372549 0.5000000 0.1372549), wk = 0.0035971 k( 228) = ( 0.1274510 0.5000000 0.1274510), wk = 0.0035971 k( 229) = ( 0.1176471 0.5000000 0.1176471), wk = 0.0035971 k( 230) = ( 0.1078431 0.5000000 0.1078431), wk = 0.0035971 k( 231) = ( 0.0980392 0.5000000 0.0980392), wk = 0.0035971 k( 232) = ( 0.0882353 0.5000000 0.0882353), wk = 0.0035971 k( 233) = ( 0.0784314 0.5000000 0.0784314), wk = 0.0035971 k( 234) = ( 0.0686275 0.5000000 0.0686275), wk = 0.0035971 k( 235) = ( 0.0588235 0.5000000 0.0588235), wk = 0.0035971 k( 236) = ( 0.0490196 0.5000000 0.0490196), wk = 0.0035971 k( 237) = ( 0.0392157 0.5000000 0.0392157), wk = 0.0035971 k( 238) = ( 0.0294118 0.5000000 0.0294118), wk = 0.0035971 k( 239) = ( 0.0196078 0.5000000 0.0196078), wk = 0.0035971 k( 240) = ( 0.0098039 0.5000000 0.0098039), wk = 0.0035971 k( 241) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035971 k( 242) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.5000000 0.0138889), wk = 0.0035971 k( 244) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0035971 k( 245) = ( 0.5000000 0.5000000 0.0416667), wk = 0.0035971 k( 246) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0035971 k( 247) = ( 0.5000000 0.5000000 0.0694444), wk = 0.0035971 k( 248) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0035971 k( 249) = ( 0.5000000 0.5000000 0.0972222), wk = 0.0035971 k( 250) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0035971 k( 251) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035971 k( 252) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0035971 k( 253) = ( 0.5000000 0.5000000 0.1527778), wk = 0.0035971 k( 254) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0035971 k( 255) = ( 0.5000000 0.5000000 0.1805556), wk = 0.0035971 k( 256) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0035971 k( 257) = ( 0.5000000 0.5000000 0.2083333), wk = 0.0035971 k( 258) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0035971 k( 259) = ( 0.5000000 0.5000000 0.2361111), wk = 0.0035971 k( 260) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035971 k( 261) = ( 0.5000000 0.5000000 0.2638889), wk = 0.0035971 k( 262) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0035971 k( 263) = ( 0.5000000 0.5000000 0.2916667), wk = 0.0035971 k( 264) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0035971 k( 265) = ( 0.5000000 0.5000000 0.3194444), wk = 0.0035971 k( 266) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0035971 k( 267) = ( 0.5000000 0.5000000 0.3472222), wk = 0.0035971 k( 268) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0035971 k( 269) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035971 k( 270) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0035971 k( 271) = ( 0.5000000 0.5000000 0.4027778), wk = 0.0035971 k( 272) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0035971 k( 273) = ( 0.5000000 0.5000000 0.4305556), wk = 0.0035971 k( 274) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0035971 k( 275) = ( 0.5000000 0.5000000 0.4583333), wk = 0.0035971 k( 276) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0035971 k( 277) = ( 0.5000000 0.5000000 0.4861111), wk = 0.0035971 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 Dense grid: 56115 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 22887 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 126, 50) NL pseudopotentials 0.18 Mb ( 63, 192) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 1166) G-vector shells 0.00 Mb ( 338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 126, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.29 Mb ( 192, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Al3GaN4.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 45.9 secs Computing kpt #: 4 total cpu time spent up to now is 46.8 secs Computing kpt #: 5 total cpu time spent up to now is 47.7 secs Computing kpt #: 6 total cpu time spent up to now is 48.7 secs Computing kpt #: 7 total cpu time spent up to now is 49.6 secs Computing kpt #: 8 total cpu time spent up to now is 50.5 secs Computing kpt #: 9 total cpu time spent up to now is 51.4 secs Computing kpt #: 10 total cpu time spent up to now is 52.4 secs Computing kpt #: 11 total cpu time spent up to now is 53.5 secs Computing kpt #: 12 total cpu time spent up to now is 54.5 secs Computing kpt #: 13 total cpu time spent up to now is 55.4 secs Computing kpt #: 14 total cpu time spent up to now is 56.4 secs Computing kpt #: 15 total cpu time spent up to now is 57.3 secs Computing kpt #: 16 total cpu time spent up to now is 58.3 secs Computing kpt #: 17 total cpu time spent up to now is 59.2 secs Computing kpt #: 18 total cpu time spent up to now is 60.2 secs Computing kpt #: 19 total cpu time spent up to now is 61.2 secs Computing kpt #: 20 total cpu time spent up to now is 62.1 secs Computing kpt #: 21 total cpu time spent up to now is 63.1 secs Computing kpt #: 22 total cpu time spent up to now is 64.1 secs Computing kpt #: 23 total cpu time spent up to now is 65.1 secs Computing kpt #: 24 total cpu time spent up to now is 66.1 secs Computing kpt #: 25 total cpu time spent up to now is 67.0 secs Computing kpt #: 26 total cpu time spent up to now is 68.0 secs Computing kpt #: 27 total cpu time spent up to now is 68.9 secs Computing kpt #: 28 total cpu time spent up to now is 69.9 secs Computing kpt #: 29 total cpu time spent up to now is 71.1 secs Computing kpt #: 30 total cpu time spent up to now is 72.1 secs Computing kpt #: 31 total cpu time spent up to now is 73.2 secs Computing kpt #: 32 total cpu time spent up to now is 74.3 secs Computing kpt #: 33 total cpu time spent up to now is 75.3 secs Computing kpt #: 34 total cpu time spent up to now is 76.3 secs Computing kpt #: 35 total cpu time spent up to now is 77.3 secs Computing kpt #: 36 total cpu time spent up to now is 78.6 secs Computing kpt #: 37 total cpu time spent up to now is 79.6 secs Computing kpt #: 38 total cpu time spent up to now is 80.8 secs Computing kpt #: 39 total cpu time spent up to now is 81.8 secs Computing kpt #: 40 total cpu time spent up to now is 83.0 secs Computing kpt #: 41 total cpu time spent up to now is 84.6 secs Computing kpt #: 42 total cpu time spent up to now is 86.8 secs Computing kpt #: 43 total cpu time spent up to now is 88.0 secs Computing kpt #: 44 total cpu time spent up to now is 89.0 secs Computing kpt #: 45 total cpu time spent up to now is 90.2 secs Computing kpt #: 46 total cpu time spent up to now is 91.2 secs Computing kpt #: 47 total cpu time spent up to now is 92.2 secs Computing kpt #: 48 total cpu time spent up to now is 93.3 secs Computing kpt #: 49 total cpu time spent up to now is 94.3 secs Computing kpt #: 50 total cpu time spent up to now is 95.4 secs Computing kpt #: 51 total cpu time spent up to now is 96.4 secs Computing kpt #: 52 total cpu time spent up to now is 97.6 secs Computing kpt #: 53 total cpu time spent up to now is 98.8 secs Computing kpt #: 54 total cpu time spent up to now is 99.9 secs Computing kpt #: 55 total cpu time spent up to now is 101.0 secs Computing kpt #: 56 total cpu time spent up to now is 102.1 secs Computing kpt #: 57 total cpu time spent up to now is 103.4 secs Computing kpt #: 58 total cpu time spent up to now is 104.7 secs Computing kpt #: 59 total cpu time spent up to now is 105.8 secs Computing kpt #: 60 total cpu time spent up to now is 106.9 secs Computing kpt #: 61 total cpu time spent up to now is 108.1 secs Computing kpt #: 62 total cpu time spent up to now is 109.4 secs Computing kpt #: 63 total cpu time spent up to now is 110.6 secs Computing kpt #: 64 total cpu time spent up to now is 111.9 secs Computing kpt #: 65 total cpu time spent up to now is 113.2 secs Computing kpt #: 66 total cpu time spent up to now is 114.6 secs Computing kpt #: 67 total cpu time spent up to now is 116.0 secs Computing kpt #: 68 total cpu time spent up to now is 117.4 secs Computing kpt #: 69 total cpu time spent up to now is 118.9 secs Computing kpt #: 70 total cpu time spent up to now is 120.5 secs Computing kpt #: 71 total cpu time spent up to now is 122.1 secs Computing kpt #: 72 total cpu time spent up to now is 123.5 secs Computing kpt #: 73 total cpu time spent up to now is 125.4 secs Computing kpt #: 74 total cpu time spent up to now is 127.3 secs Computing kpt #: 75 total cpu time spent up to now is 129.3 secs Computing kpt #: 76 total cpu time spent up to now is 131.3 secs Computing kpt #: 77 total cpu time spent up to now is 133.1 secs Computing kpt #: 78 total cpu time spent up to now is 136.0 secs Computing kpt #: 79 total cpu time spent up to now is 137.6 secs Computing kpt #: 80 total cpu time spent up to now is 139.1 secs Computing kpt #: 81 total cpu time spent up to now is 140.6 secs Computing kpt #: 82 total cpu time spent up to now is 142.1 secs Computing kpt #: 83 total cpu time spent up to now is 143.5 secs Computing kpt #: 84 total cpu time spent up to now is 145.2 secs Computing kpt #: 85 total cpu time spent up to now is 146.6 secs Computing kpt #: 86 total cpu time spent up to now is 148.0 secs Computing kpt #: 87 total cpu time spent up to now is 149.2 secs Computing kpt #: 88 total cpu time spent up to now is 150.6 secs Computing kpt #: 89 total cpu time spent up to now is 151.8 secs Computing kpt #: 90 total cpu time spent up to now is 153.0 secs Computing kpt #: 91 total cpu time spent up to now is 154.2 secs Computing kpt #: 92 total cpu time spent up to now is 155.3 secs Computing kpt #: 93 total cpu time spent up to now is 156.4 secs Computing kpt #: 94 total cpu time spent up to now is 157.4 secs Computing kpt #: 95 total cpu time spent up to now is 158.4 secs Computing kpt #: 96 total cpu time spent up to now is 159.4 secs Computing kpt #: 97 total cpu time spent up to now is 160.4 secs Computing kpt #: 98 total cpu time spent up to now is 161.5 secs Computing kpt #: 99 total cpu time spent up to now is 162.6 secs Computing kpt #: 100 total cpu time spent up to now is 163.5 secs Computing kpt #: 101 total cpu time spent up to now is 164.5 secs Computing kpt #: 102 total cpu time spent up to now is 165.4 secs Computing kpt #: 103 total cpu time spent up to now is 166.4 secs Computing kpt #: 104 total cpu time spent up to now is 167.4 secs Computing kpt #: 105 total cpu time spent up to now is 168.5 secs Computing kpt #: 106 total cpu time spent up to now is 169.5 secs Computing kpt #: 107 total cpu time spent up to now is 170.4 secs Computing kpt #: 108 total cpu time spent up to now is 171.4 secs Computing kpt #: 109 total cpu time spent up to now is 172.3 secs Computing kpt #: 110 total cpu time spent up to now is 173.4 secs Computing kpt #: 111 total cpu time spent up to now is 174.4 secs Computing kpt #: 112 total cpu time spent up to now is 175.3 secs Computing kpt #: 113 total cpu time spent up to now is 176.3 secs Computing kpt #: 114 total cpu time spent up to now is 177.2 secs Computing kpt #: 115 total cpu time spent up to now is 178.2 secs Computing kpt #: 116 total cpu time spent up to now is 179.2 secs Computing kpt #: 117 total cpu time spent up to now is 180.2 secs Computing kpt #: 118 total cpu time spent up to now is 181.2 secs Computing kpt #: 119 total cpu time spent up to now is 182.1 secs Computing kpt #: 120 total cpu time spent up to now is 183.1 secs Computing kpt #: 121 total cpu time spent up to now is 184.1 secs Computing kpt #: 122 total cpu time spent up to now is 185.1 secs Computing kpt #: 123 total cpu time spent up to now is 186.2 secs Computing kpt #: 124 total cpu time spent up to now is 187.1 secs Computing kpt #: 125 total cpu time spent up to now is 188.2 secs Computing kpt #: 126 total cpu time spent up to now is 189.1 secs Computing kpt #: 127 total cpu time spent up to now is 190.0 secs Computing kpt #: 128 total cpu time spent up to now is 191.0 secs Computing kpt #: 129 total cpu time spent up to now is 192.0 secs Computing kpt #: 130 total cpu time spent up to now is 193.0 secs Computing kpt #: 131 total cpu time spent up to now is 193.9 secs Computing kpt #: 132 total cpu time spent up to now is 195.0 secs Computing kpt #: 133 total cpu time spent up to now is 195.9 secs Computing kpt #: 134 total cpu time spent up to now is 196.9 secs Computing kpt #: 135 total cpu time spent up to now is 198.2 secs Computing kpt #: 136 total cpu time spent up to now is 199.3 secs Computing kpt #: 137 total cpu time spent up to now is 200.2 secs Computing kpt #: 138 total cpu time spent up to now is 201.1 secs Computing kpt #: 139 total cpu time spent up to now is 202.1 secs Computing kpt #: 140 total cpu time spent up to now is 203.0 secs Computing kpt #: 141 total cpu time spent up to now is 205.1 secs Computing kpt #: 142 total cpu time spent up to now is 206.0 secs Computing kpt #: 143 total cpu time spent up to now is 207.3 secs Computing kpt #: 144 total cpu time spent up to now is 208.2 secs Computing kpt #: 145 total cpu time spent up to now is 209.2 secs Computing kpt #: 146 total cpu time spent up to now is 210.6 secs Computing kpt #: 147 total cpu time spent up to now is 211.6 secs Computing kpt #: 148 total cpu time spent up to now is 212.6 secs Computing kpt #: 149 total cpu time spent up to now is 213.6 secs Computing kpt #: 150 total cpu time spent up to now is 214.5 secs Computing kpt #: 151 total cpu time spent up to now is 215.5 secs Computing kpt #: 152 total cpu time spent up to now is 216.5 secs Computing kpt #: 153 total cpu time spent up to now is 217.5 secs Computing kpt #: 154 total cpu time spent up to now is 218.5 secs Computing kpt #: 155 total cpu time spent up to now is 219.5 secs Computing kpt #: 156 total cpu time spent up to now is 220.5 secs Computing kpt #: 157 total cpu time spent up to now is 221.5 secs Computing kpt #: 158 total cpu time spent up to now is 222.5 secs Computing kpt #: 159 total cpu time spent up to now is 223.6 secs Computing kpt #: 160 total cpu time spent up to now is 224.6 secs Computing kpt #: 161 total cpu time spent up to now is 225.7 secs Computing kpt #: 162 total cpu time spent up to now is 226.9 secs Computing kpt #: 163 total cpu time spent up to now is 228.0 secs Computing kpt #: 164 total cpu time spent up to now is 229.1 secs Computing kpt #: 165 total cpu time spent up to now is 230.3 secs Computing kpt #: 166 total cpu time spent up to now is 231.4 secs Computing kpt #: 167 total cpu time spent up to now is 232.7 secs Computing kpt #: 168 total cpu time spent up to now is 233.9 secs Computing kpt #: 169 total cpu time spent up to now is 235.1 secs Computing kpt #: 170 total cpu time spent up to now is 236.3 secs Computing kpt #: 171 total cpu time spent up to now is 237.6 secs Computing kpt #: 172 total cpu time spent up to now is 238.9 secs Computing kpt #: 173 total cpu time spent up to now is 240.2 secs Computing kpt #: 174 total cpu time spent up to now is 241.5 secs Computing kpt #: 175 total cpu time spent up to now is 242.7 secs Computing kpt #: 176 total cpu time spent up to now is 243.9 secs Computing kpt #: 177 total cpu time spent up to now is 245.7 secs Computing kpt #: 178 total cpu time spent up to now is 247.6 secs Computing kpt #: 179 total cpu time spent up to now is 248.8 secs Computing kpt #: 180 total cpu time spent up to now is 250.3 secs Computing kpt #: 181 total cpu time spent up to now is 251.4 secs Computing kpt #: 182 total cpu time spent up to now is 252.5 secs Computing kpt #: 183 total cpu time spent up to now is 253.6 secs Computing kpt #: 184 total cpu time spent up to now is 254.6 secs Computing kpt #: 185 total cpu time spent up to now is 255.7 secs Computing kpt #: 186 total cpu time spent up to now is 256.8 secs Computing kpt #: 187 total cpu time spent up to now is 257.9 secs Computing kpt #: 188 total cpu time spent up to now is 258.9 secs Computing kpt #: 189 total cpu time spent up to now is 260.0 secs Computing kpt #: 190 total cpu time spent up to now is 261.1 secs Computing kpt #: 191 total cpu time spent up to now is 262.1 secs Computing kpt #: 192 total cpu time spent up to now is 263.2 secs Computing kpt #: 193 total cpu time spent up to now is 264.3 secs Computing kpt #: 194 total cpu time spent up to now is 265.3 secs Computing kpt #: 195 total cpu time spent up to now is 266.4 secs Computing kpt #: 196 total cpu time spent up to now is 267.5 secs Computing kpt #: 197 total cpu time spent up to now is 268.7 secs Computing kpt #: 198 total cpu time spent up to now is 269.8 secs Computing kpt #: 199 total cpu time spent up to now is 271.1 secs Computing kpt #: 200 total cpu time spent up to now is 272.3 secs Computing kpt #: 201 total cpu time spent up to now is 273.5 secs Computing kpt #: 202 total cpu time spent up to now is 274.9 secs Computing kpt #: 203 total cpu time spent up to now is 276.2 secs Computing kpt #: 204 total cpu time spent up to now is 277.5 secs Computing kpt #: 205 total cpu time spent up to now is 278.8 secs Computing kpt #: 206 total cpu time spent up to now is 280.1 secs Computing kpt #: 207 total cpu time spent up to now is 281.5 secs Computing kpt #: 208 total cpu time spent up to now is 282.9 secs Computing kpt #: 209 total cpu time spent up to now is 284.3 secs Computing kpt #: 210 total cpu time spent up to now is 285.6 secs Computing kpt #: 211 total cpu time spent up to now is 287.0 secs Computing kpt #: 212 total cpu time spent up to now is 288.6 secs Computing kpt #: 213 total cpu time spent up to now is 290.9 secs Computing kpt #: 214 total cpu time spent up to now is 292.2 secs Computing kpt #: 215 total cpu time spent up to now is 293.6 secs Computing kpt #: 216 total cpu time spent up to now is 294.8 secs Computing kpt #: 217 total cpu time spent up to now is 296.0 secs Computing kpt #: 218 total cpu time spent up to now is 297.2 secs Computing kpt #: 219 total cpu time spent up to now is 298.5 secs Computing kpt #: 220 total cpu time spent up to now is 299.7 secs Computing kpt #: 221 total cpu time spent up to now is 300.8 secs Computing kpt #: 222 total cpu time spent up to now is 302.0 secs Computing kpt #: 223 total cpu time spent up to now is 303.1 secs Computing kpt #: 224 total cpu time spent up to now is 304.1 secs Computing kpt #: 225 total cpu time spent up to now is 305.4 secs Computing kpt #: 226 total cpu time spent up to now is 306.5 secs Computing kpt #: 227 total cpu time spent up to now is 307.6 secs Computing kpt #: 228 total cpu time spent up to now is 308.7 secs Computing kpt #: 229 total cpu time spent up to now is 309.7 secs Computing kpt #: 230 total cpu time spent up to now is 310.8 secs Computing kpt #: 231 total cpu time spent up to now is 311.8 secs Computing kpt #: 232 total cpu time spent up to now is 312.8 secs Computing kpt #: 233 total cpu time spent up to now is 313.9 secs Computing kpt #: 234 total cpu time spent up to now is 314.9 secs Computing kpt #: 235 total cpu time spent up to now is 316.9 secs Computing kpt #: 236 total cpu time spent up to now is 317.9 secs Computing kpt #: 237 total cpu time spent up to now is 318.9 secs Computing kpt #: 238 total cpu time spent up to now is 320.3 secs Computing kpt #: 239 total cpu time spent up to now is 321.3 secs Computing kpt #: 240 total cpu time spent up to now is 322.3 secs Computing kpt #: 241 total cpu time spent up to now is 323.3 secs Computing kpt #: 242 total cpu time spent up to now is 325.3 secs Computing kpt #: 243 total cpu time spent up to now is 327.0 secs Computing kpt #: 244 total cpu time spent up to now is 328.8 secs Computing kpt #: 245 total cpu time spent up to now is 330.4 secs Computing kpt #: 246 total cpu time spent up to now is 332.0 secs Computing kpt #: 247 total cpu time spent up to now is 333.5 secs Computing kpt #: 248 total cpu time spent up to now is 335.1 secs Computing kpt #: 249 total cpu time spent up to now is 336.4 secs Computing kpt #: 250 total cpu time spent up to now is 337.9 secs Computing kpt #: 251 total cpu time spent up to now is 339.2 secs Computing kpt #: 252 total cpu time spent up to now is 340.5 secs Computing kpt #: 253 total cpu time spent up to now is 341.8 secs Computing kpt #: 254 total cpu time spent up to now is 343.2 secs Computing kpt #: 255 total cpu time spent up to now is 344.5 secs Computing kpt #: 256 total cpu time spent up to now is 345.7 secs Computing kpt #: 257 total cpu time spent up to now is 347.1 secs Computing kpt #: 258 total cpu time spent up to now is 348.6 secs Computing kpt #: 259 total cpu time spent up to now is 349.8 secs Computing kpt #: 260 total cpu time spent up to now is 351.1 secs Computing kpt #: 261 total cpu time spent up to now is 352.3 secs Computing kpt #: 262 total cpu time spent up to now is 353.5 secs Computing kpt #: 263 total cpu time spent up to now is 354.8 secs Computing kpt #: 264 total cpu time spent up to now is 356.0 secs Computing kpt #: 265 total cpu time spent up to now is 357.2 secs Computing kpt #: 266 total cpu time spent up to now is 358.4 secs Computing kpt #: 267 total cpu time spent up to now is 359.7 secs Computing kpt #: 268 total cpu time spent up to now is 360.8 secs Computing kpt #: 269 total cpu time spent up to now is 361.9 secs Computing kpt #: 270 total cpu time spent up to now is 363.0 secs Computing kpt #: 271 total cpu time spent up to now is 364.1 secs Computing kpt #: 272 total cpu time spent up to now is 365.2 secs Computing kpt #: 273 total cpu time spent up to now is 366.3 secs Computing kpt #: 274 total cpu time spent up to now is 367.3 secs Computing kpt #: 275 total cpu time spent up to now is 368.4 secs Computing kpt #: 276 total cpu time spent up to now is 369.4 secs Computing kpt #: 277 total cpu time spent up to now is 370.5 secs Computing kpt #: 278 total cpu time spent up to now is 371.5 secs ethr = 2.38E-11, avg # of iterations = 20.6 total cpu time spent up to now is 371.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -7.5912 -7.5912 -5.9397 -5.9397 -5.9397 -5.9397 -5.7836 -5.7836 -4.9364 -4.9364 -4.9364 -4.9364 -4.0048 -4.0048 -4.0048 -4.0048 -3.8988 -3.8988 1.8230 1.8230 2.8124 2.8124 2.8124 2.8124 5.5571 5.5571 5.5958 5.5958 5.5958 5.5958 5.6656 5.6656 5.6658 5.6658 5.6658 5.6658 7.6515 7.6515 7.6708 7.6708 7.6708 7.6708 11.0178 11.0178 11.0253 11.0253 11.0253 11.0253 11.1448 11.1448 k = 0.0000 0.0139-0.0000 ( 2897 PWs) bands (ev): -7.5903 -7.5903 -5.9402 -5.9402 -5.9394 -5.9394 -5.7838 -5.7838 -4.9376 -4.9376 -4.9353 -4.9353 -4.0063 -4.0063 -4.0042 -4.0042 -3.8991 -3.8991 1.8247 1.8247 2.8133 2.8133 2.8141 2.8141 5.5556 5.5556 5.5938 5.5938 5.5947 5.5947 5.6638 5.6638 5.6652 5.6652 5.6656 5.6656 7.6488 7.6488 7.6671 7.6671 7.6696 7.6696 11.0212 11.0212 11.0283 11.0283 11.0299 11.0299 11.1513 11.1513 k = 0.0000 0.0278-0.0000 ( 2889 PWs) bands (ev): -7.5877 -7.5877 -5.9411 -5.9411 -5.9393 -5.9393 -5.7844 -5.7844 -4.9388 -4.9388 -4.9340 -4.9340 -4.0094 -4.0094 -4.0035 -4.0035 -3.9002 -3.9002 1.8297 1.8297 2.8161 2.8161 2.8189 2.8189 5.5508 5.5508 5.5880 5.5880 5.5912 5.5912 5.6581 5.6581 5.6643 5.6643 5.6651 5.6651 7.6381 7.6381 7.6587 7.6587 7.6662 7.6662 11.0290 11.0290 11.0399 11.0399 11.0437 11.0437 11.1704 11.1704 k = 0.0000 0.0417-0.0000 ( 2873 PWs) bands (ev): -7.5833 -7.5833 -5.9424 -5.9424 -5.9394 -5.9394 -5.7853 -5.7853 -4.9400 -4.9400 -4.9329 -4.9329 -4.0148 -4.0148 -4.0025 -4.0025 -3.9017 -3.9017 1.8380 1.8380 2.8208 2.8208 2.8271 2.8271 5.5422 5.5422 5.5783 5.5783 5.5844 5.5844 5.6486 5.6486 5.6638 5.6638 5.6652 5.6652 7.6154 7.6154 7.6502 7.6502 7.6604 7.6604 11.0401 11.0401 11.0617 11.0617 11.0665 11.0665 11.2011 11.2011 k = 0.0000 0.0556-0.0000 ( 2873 PWs) bands (ev): -7.5771 -7.5771 -5.9441 -5.9441 -5.9397 -5.9397 -5.7866 -5.7866 -4.9413 -4.9413 -4.9317 -4.9317 -4.0225 -4.0225 -4.0012 -4.0012 -3.9033 -3.9033 1.8496 1.8496 2.8273 2.8273 2.8384 2.8384 5.5291 5.5291 5.5645 5.5645 5.5734 5.5734 5.6354 5.6354 5.6644 5.6644 5.6668 5.6668 7.5813 7.5813 7.6411 7.6411 7.6524 7.6524 11.0558 11.0558 11.0928 11.0928 11.0982 11.0982 11.2423 11.2423 k = 0.0000 0.0694-0.0000 ( 2873 PWs) bands (ev): -7.5692 -7.5692 -5.9465 -5.9465 -5.9401 -5.9401 -5.7884 -5.7884 -4.9426 -4.9426 -4.9305 -4.9305 -4.0330 -4.0330 -3.9995 -3.9995 -3.9048 -3.9048 1.8643 1.8643 2.8356 2.8356 2.8530 2.8530 5.5110 5.5110 5.5469 5.5469 5.5580 5.5580 5.6184 5.6184 5.6671 5.6671 5.6705 5.6705 7.5378 7.5378 7.6305 7.6305 7.6421 7.6421 11.0767 11.0767 11.1326 11.1326 11.1384 11.1384 11.2931 11.2931 k = 0.0000 0.0833-0.0000 ( 2873 PWs) bands (ev): -7.5595 -7.5595 -5.9493 -5.9493 -5.9405 -5.9405 -5.7905 -5.7905 -4.9439 -4.9439 -4.9293 -4.9293 -4.0463 -4.0463 -3.9975 -3.9975 -3.9059 -3.9059 1.8821 1.8821 2.8457 2.8457 2.8707 2.8707 5.4881 5.4881 5.5253 5.5253 5.5382 5.5382 5.5979 5.5979 5.6719 5.6719 5.6765 5.6765 7.4858 7.4858 7.6179 7.6179 7.6296 7.6296 11.1031 11.1031 11.1808 11.1808 11.1870 11.1870 11.3524 11.3524 k = 0.0000 0.0972-0.0000 ( 2865 PWs) bands (ev): -7.5481 -7.5481 -5.9528 -5.9528 -5.9411 -5.9411 -5.7929 -5.7929 -4.9453 -4.9453 -4.9281 -4.9281 -4.0624 -4.0624 -3.9951 -3.9951 -3.9063 -3.9063 1.9028 1.9028 2.8576 2.8576 2.8917 2.8917 5.4606 5.4606 5.5002 5.5002 5.5144 5.5144 5.5741 5.5741 5.6791 5.6791 5.6847 5.6847 7.4264 7.4264 7.6032 7.6032 7.6149 7.6149 11.1348 11.1348 11.2369 11.2369 11.2435 11.2435 11.4194 11.4194 k = 0.0000 0.1111-0.0000 ( 2865 PWs) bands (ev): -7.5350 -7.5350 -5.9569 -5.9569 -5.9418 -5.9418 -5.7956 -5.7956 -4.9468 -4.9468 -4.9269 -4.9269 -4.0812 -4.0812 -3.9924 -3.9924 -3.9061 -3.9061 1.9263 1.9263 2.8714 2.8714 2.9159 2.9159 5.4287 5.4287 5.4717 5.4717 5.4871 5.4871 5.5469 5.5469 5.6884 5.6884 5.6948 5.6948 7.3605 7.3605 7.5865 7.5865 7.5981 7.5981 11.1719 11.1719 11.3006 11.3006 11.3076 11.3076 11.4932 11.4932 k = 0.0000 0.1250-0.0000 ( 2857 PWs) bands (ev): -7.5202 -7.5202 -5.9618 -5.9618 -5.9425 -5.9425 -5.7986 -5.7986 -4.9483 -4.9483 -4.9256 -4.9256 -4.1025 -4.1025 -3.9894 -3.9894 -3.9052 -3.9052 1.9524 1.9524 2.8870 2.8870 2.9432 2.9432 5.3927 5.3927 5.4403 5.4403 5.4568 5.4568 5.5164 5.5164 5.6998 5.6998 5.7068 5.7068 7.2888 7.2888 7.5678 7.5678 7.5793 7.5793 11.2142 11.2142 11.3714 11.3714 11.3787 11.3787 11.5730 11.5730 k = 0.0000 0.1389-0.0000 ( 2857 PWs) bands (ev): -7.5037 -7.5037 -5.9675 -5.9675 -5.9433 -5.9433 -5.8019 -5.8019 -4.9500 -4.9500 -4.9244 -4.9244 -4.1260 -4.1260 -3.9862 -3.9862 -3.9038 -3.9038 1.9810 1.9810 2.9043 2.9043 2.9737 2.9737 5.3529 5.3529 5.4065 5.4065 5.4240 5.4240 5.4830 5.4830 5.7130 5.7130 5.7205 5.7205 7.2120 7.2120 7.5471 7.5471 7.5583 7.5583 11.2616 11.2616 11.4489 11.4489 11.4566 11.4566 11.6578 11.6578 k = 0.0000 0.1528-0.0000 ( 2857 PWs) bands (ev): -7.4856 -7.4856 -5.9741 -5.9741 -5.9441 -5.9441 -5.8055 -5.8055 -4.9517 -4.9517 -4.9232 -4.9232 -4.1515 -4.1515 -3.9826 -3.9826 -3.9018 -3.9018 2.0119 2.0119 2.9233 2.9233 3.0073 3.0073 5.3095 5.3095 5.3707 5.3707 5.3891 5.3891 5.4467 5.4467 5.7279 5.7279 5.7359 5.7359 7.1309 7.1309 7.5244 7.5244 7.5355 7.5355 11.3139 11.3139 11.5327 11.5327 11.5405 11.5405 11.7469 11.7469 k = 0.0000 0.1667-0.0000 ( 2869 PWs) bands (ev): -7.4658 -7.4658 -5.9817 -5.9817 -5.9451 -5.9451 -5.8092 -5.8092 -4.9536 -4.9536 -4.9220 -4.9220 -4.1786 -4.1786 -3.9789 -3.9789 -3.8993 -3.8993 2.0450 2.0450 2.9441 2.9441 3.0440 3.0440 5.2630 5.2630 5.3332 5.3332 5.3525 5.3525 5.4077 5.4077 5.7444 5.7444 5.7527 5.7527 7.0460 7.0460 7.4999 7.4999 7.5107 7.5107 11.3709 11.3709 11.6222 11.6222 11.6302 11.6302 11.8395 11.8395 k = 0.0000 0.1806-0.0000 ( 2861 PWs) bands (ev): -7.4444 -7.4444 -5.9904 -5.9904 -5.9460 -5.9460 -5.8130 -5.8130 -4.9556 -4.9556 -4.9207 -4.9207 -4.2070 -4.2070 -3.9750 -3.9750 -3.8964 -3.8964 2.0800 2.0800 2.9667 2.9667 3.0836 3.0836 5.2135 5.2135 5.2946 5.2946 5.3146 5.3146 5.3662 5.3662 5.7626 5.7626 5.7711 5.7711 6.9583 6.9583 7.4736 7.4736 7.4842 7.4842 11.4326 11.4326 11.7169 11.7169 11.7250 11.7250 11.9350 11.9350 k = 0.0000 0.1944-0.0000 ( 2861 PWs) bands (ev): -7.4214 -7.4214 -6.0002 -6.0002 -5.9470 -5.9470 -5.8169 -5.8169 -4.9577 -4.9577 -4.9195 -4.9195 -4.2363 -4.2363 -3.9709 -3.9709 -3.8932 -3.8932 2.1169 2.1169 2.9908 2.9908 3.1262 3.1262 5.1614 5.1614 5.2551 5.2551 5.2758 5.2758 5.3224 5.3224 5.7823 5.7823 5.7910 5.7910 6.8678 6.8678 7.4456 7.4456 7.4560 7.4560 11.4986 11.4986 11.8163 11.8163 11.8245 11.8245 12.0324 12.0324 k = 0.0000 0.2083-0.0000 ( 2854 PWs) bands (ev): -7.3969 -7.3969 -6.0114 -6.0114 -5.9480 -5.9480 -5.8208 -5.8208 -4.9600 -4.9600 -4.9182 -4.9182 -4.2663 -4.2663 -3.9666 -3.9666 -3.8897 -3.8897 2.1555 2.1555 3.0166 3.0166 3.1718 3.1718 5.1070 5.1070 5.2151 5.2151 5.2364 5.2364 5.2764 5.2764 5.8035 5.8035 5.8123 5.8123 6.7752 6.7752 7.4160 7.4160 7.4261 7.4261 11.5689 11.5689 11.9199 11.9199 11.9281 11.9281 12.1313 12.1313 k = 0.0000 0.2222-0.0000 ( 2854 PWs) bands (ev): -7.3709 -7.3709 -6.0240 -6.0240 -5.9491 -5.9491 -5.8246 -5.8246 -4.9624 -4.9624 -4.9169 -4.9169 -4.2967 -4.2967 -3.9623 -3.9623 -3.8860 -3.8860 2.1956 2.1956 3.0441 3.0441 3.2201 3.2201 5.0506 5.0506 5.1750 5.1750 5.1969 5.1969 5.2286 5.2286 5.8260 5.8260 5.8350 5.8350 6.6809 6.6809 7.3849 7.3849 7.3948 7.3948 11.6431 11.6431 12.0270 12.0270 12.0353 12.0353 12.2309 12.2309 k = 0.0000 0.2361-0.0000 ( 2850 PWs) bands (ev): -7.3435 -7.3435 -6.0381 -6.0381 -5.9501 -5.9501 -5.8284 -5.8284 -4.9650 -4.9650 -4.9157 -4.9157 -4.3270 -4.3270 -3.9579 -3.9579 -3.8821 -3.8821 2.2370 2.2370 3.0730 3.0730 3.2710 3.2710 4.9924 4.9924 5.1349 5.1349 5.1573 5.1573 5.1791 5.1791 5.8499 5.8499 5.8589 5.8589 6.5853 6.5853 7.3525 7.3525 7.3621 7.3621 11.7210 11.7210 12.1372 12.1372 12.1454 12.1454 12.3305 12.3305 k = 0.0000 0.2500-0.0000 ( 2838 PWs) bands (ev): -7.3146 -7.3146 -6.0538 -6.0538 -5.9511 -5.9511 -5.8321 -5.8321 -4.9678 -4.9678 -4.9145 -4.9145 -4.3571 -4.3571 -3.9534 -3.9534 -3.8782 -3.8782 2.2797 2.2797 3.1035 3.1035 3.3245 3.3245 4.9330 4.9330 5.0954 5.0954 5.1182 5.1182 5.1282 5.1282 5.8751 5.8751 5.8841 5.8841 6.4886 6.4886 7.3186 7.3186 7.3281 7.3281 11.8023 11.8023 12.2500 12.2500 12.2580 12.2580 12.4295 12.4295 k = 0.0000 0.2639-0.0000 ( 2842 PWs) bands (ev): -7.2843 -7.2843 -6.0712 -6.0712 -5.9522 -5.9522 -5.8356 -5.8356 -4.9708 -4.9708 -4.9133 -4.9133 -4.3866 -4.3866 -3.9489 -3.9489 -3.8741 -3.8741 2.3234 2.3234 3.1354 3.1354 3.3804 3.3804 4.8725 4.8725 5.0565 5.0565 5.0754 5.0754 5.0804 5.0804 5.9016 5.9016 5.9106 5.9106 6.3911 6.3911 7.2836 7.2836 7.2928 7.2928 11.8868 11.8868 12.3645 12.3645 12.3723 12.3723 12.5272 12.5272 k = 0.0000 0.2778-0.0000 ( 2842 PWs) bands (ev): -7.2527 -7.2527 -6.0903 -6.0903 -5.9533 -5.9533 -5.8390 -5.8390 -4.9739 -4.9739 -4.9121 -4.9121 -4.4153 -4.4153 -3.9445 -3.9445 -3.8701 -3.8701 2.3680 2.3680 3.1687 3.1687 3.4385 3.4385 4.8113 4.8113 5.0182 5.0182 5.0228 5.0228 5.0427 5.0427 5.9291 5.9291 5.9382 5.9382 6.2932 6.2932 7.2475 7.2475 7.2565 7.2565 11.9740 11.9740 12.4802 12.4802 12.4877 12.4877 12.6230 12.6230 k = 0.0000 0.2917-0.0000 ( 2842 PWs) bands (ev): -7.2199 -7.2199 -6.1113 -6.1113 -5.9543 -5.9543 -5.8422 -5.8422 -4.9773 -4.9773 -4.9109 -4.9109 -4.4429 -4.4429 -3.9401 -3.9401 -3.8660 -3.8660 2.4133 2.4133 3.2032 3.2032 3.4987 3.4987 4.7499 4.7499 4.9679 4.9679 4.9823 4.9823 5.0063 5.0063 5.9579 5.9579 5.9668 5.9668 6.1950 6.1950 7.2104 7.2104 7.2192 7.2192 12.0636 12.0636 12.5964 12.5964 12.6036 12.6036 12.7160 12.7160 k = 0.0000 0.3056-0.0000 ( 2846 PWs) bands (ev): -7.1858 -7.1858 -6.1341 -6.1341 -5.9553 -5.9553 -5.8451 -5.8451 -4.9808 -4.9808 -4.9098 -4.9098 -4.4693 -4.4693 -3.9359 -3.9359 -3.8621 -3.8621 2.4591 2.4591 3.2389 3.2389 3.5608 3.5608 4.6886 4.6886 4.9133 4.9133 4.9470 4.9470 4.9714 4.9714 5.9876 5.9876 5.9965 5.9965 6.0968 6.0968 7.1725 7.1725 7.1812 7.1812 12.1552 12.1552 12.7124 12.7124 12.7192 12.7192 12.8057 12.8057 k = 0.0000 0.3194-0.0000 ( 2854 PWs) bands (ev): -7.1506 -7.1506 -6.1587 -6.1587 -5.9563 -5.9563 -5.8479 -5.8479 -4.9844 -4.9844 -4.9087 -4.9087 -4.4942 -4.4942 -3.9317 -3.9317 -3.8582 -3.8582 2.5053 2.5053 3.2757 3.2757 3.6244 3.6244 4.6279 4.6279 4.8582 4.8582 4.9133 4.9133 4.9380 4.9380 5.9985 5.9985 6.0185 6.0185 6.0273 6.0273 7.1340 7.1340 7.1425 7.1425 12.2483 12.2483 12.8274 12.8274 12.8337 12.8337 12.8911 12.8911 k = 0.0000 0.3333-0.0000 ( 2846 PWs) bands (ev): -7.1144 -7.1144 -6.1851 -6.1851 -5.9572 -5.9572 -5.8504 -5.8504 -4.9882 -4.9882 -4.9076 -4.9076 -4.5174 -4.5174 -3.9277 -3.9277 -3.8544 -3.8544 2.5516 2.5516 3.3134 3.3134 3.6892 3.6892 4.5686 4.5686 4.8031 4.8031 4.8815 4.8815 4.9065 4.9065 5.9009 5.9009 6.0500 6.0500 6.0588 6.0588 7.0949 7.0949 7.1033 7.1033 12.3424 12.3424 12.9405 12.9405 12.9464 12.9464 12.9718 12.9718 k = 0.0000 0.3472-0.0000 ( 2850 PWs) bands (ev): -7.0771 -7.0771 -6.2133 -6.2133 -5.9581 -5.9581 -5.8528 -5.8528 -4.9920 -4.9920 -4.9066 -4.9066 -4.5389 -4.5389 -3.9239 -3.9239 -3.8509 -3.8509 2.5978 2.5978 3.3519 3.3519 3.7547 3.7547 4.5113 4.5113 4.7482 4.7482 4.8516 4.8516 4.8769 4.8769 5.8038 5.8038 6.0824 6.0824 6.0911 6.0911 7.0553 7.0553 7.0636 7.0636 12.4368 12.4368 13.0451 13.0451 13.0517 13.0517 13.0567 13.0567 k = 0.0000 0.3611-0.0000 ( 2842 PWs) bands (ev): -7.0390 -7.0390 -6.2432 -6.2432 -5.9589 -5.9589 -5.8548 -5.8548 -4.9958 -4.9958 -4.9057 -4.9057 -4.5585 -4.5585 -3.9204 -3.9204 -3.8475 -3.8475 2.6434 2.6434 3.3908 3.3908 3.8200 3.8200 4.4572 4.4572 4.6939 4.6939 4.8239 4.8239 4.8494 4.8494 5.7074 5.7074 6.1154 6.1154 6.1240 6.1240 7.0157 7.0157 7.0238 7.0238 12.5310 12.5310 13.1141 13.1141 13.1578 13.1578 13.1626 13.1626 k = 0.0000 0.3750-0.0000 ( 2842 PWs) bands (ev): -7.0001 -7.0001 -6.2748 -6.2748 -5.9597 -5.9597 -5.8567 -5.8567 -4.9996 -4.9996 -4.9048 -4.9048 -4.5762 -4.5762 -3.9170 -3.9170 -3.8443 -3.8443 2.6882 2.6882 3.4300 3.4300 3.8836 3.8836 4.4081 4.4081 4.6405 4.6405 4.7984 4.7984 4.8241 4.8241 5.6120 5.6120 6.1488 6.1488 6.1573 6.1573 6.9761 6.9761 6.9840 6.9840 12.6242 12.6242 13.1747 13.1747 13.2595 13.2595 13.2637 13.2637 k = 0.0000 0.3889-0.0000 ( 2842 PWs) bands (ev): -6.9605 -6.9605 -6.3079 -6.3079 -5.9604 -5.9604 -5.8584 -5.8584 -5.0033 -5.0033 -4.9040 -4.9040 -4.5920 -4.5920 -3.9140 -3.9140 -3.8414 -3.8414 2.7317 2.7317 3.4690 3.4690 3.9429 3.9429 4.3668 4.3668 4.5885 4.5885 4.7753 4.7753 4.8012 4.8012 5.5178 5.5178 6.1826 6.1826 6.1909 6.1909 6.9367 6.9367 6.9446 6.9446 12.7157 12.7157 13.2269 13.2269 13.3553 13.3553 13.3589 13.3589 k = 0.0000 0.4028-0.0000 ( 2834 PWs) bands (ev): -6.9204 -6.9204 -6.3423 -6.3423 -5.9610 -5.9610 -5.8598 -5.8598 -5.0068 -5.0068 -4.9032 -4.9032 -4.6058 -4.6058 -3.9112 -3.9112 -3.8388 -3.8388 2.7732 2.7732 3.5074 3.5074 3.9931 3.9931 4.3384 4.3384 4.5385 4.5385 4.7547 4.7547 4.7807 4.7807 5.4253 5.4253 6.2163 6.2163 6.2245 6.2245 6.8980 6.8980 6.9058 6.9058 12.8045 12.8045 13.2700 13.2700 13.4440 13.4440 13.4470 13.4470 k = 0.0000 0.4167-0.0000 ( 2842 PWs) bands (ev): -6.8799 -6.8799 -6.3780 -6.3780 -5.9616 -5.9616 -5.8611 -5.8611 -5.0100 -5.0100 -4.9026 -4.9026 -4.6177 -4.6177 -3.9088 -3.9088 -3.8364 -3.8364 2.8121 2.8121 3.5446 3.5446 4.0270 4.0270 4.3306 4.3306 4.4911 4.4911 4.7366 4.7366 4.7627 4.7627 5.3349 5.3349 6.2496 6.2496 6.2575 6.2575 6.8604 6.8604 6.8680 6.8680 12.8899 12.8899 13.3031 13.3031 13.5243 13.5243 13.5268 13.5268 k = 0.0000 0.4306-0.0000 ( 2850 PWs) bands (ev): -6.8392 -6.8392 -6.4146 -6.4146 -5.9621 -5.9621 -5.8622 -5.8622 -5.0128 -5.0128 -4.9021 -4.9021 -4.6277 -4.6277 -3.9067 -3.9067 -3.8345 -3.8345 2.8476 2.8476 3.5796 3.5796 4.0394 4.0394 4.3487 4.3487 4.4473 4.4473 4.7212 4.7212 4.7474 4.7474 5.2472 5.2472 6.2818 6.2818 6.2895 6.2895 6.8244 6.8244 6.8318 6.8318 12.9707 12.9707 13.3257 13.3257 13.5950 13.5950 13.5969 13.5969 k = 0.0000 0.4444-0.0000 ( 2850 PWs) bands (ev): -6.7986 -6.7986 -6.4519 -6.4519 -5.9625 -5.9625 -5.8630 -5.8630 -5.0153 -5.0153 -4.9016 -4.9016 -4.6358 -4.6358 -3.9050 -3.9050 -3.8328 -3.8328 2.8787 2.8787 3.6115 3.6115 4.0344 4.0344 4.3879 4.3879 4.4085 4.4085 4.7084 4.7084 4.7348 4.7348 5.1638 5.1638 6.3122 6.3122 6.3195 6.3195 6.7911 6.7911 6.7983 6.7983 13.0460 13.0460 13.3374 13.3374 13.6548 13.6548 13.6562 13.6562 k = 0.0000 0.4583-0.0000 ( 2850 PWs) bands (ev): -6.7587 -6.7587 -6.4893 -6.4893 -5.9628 -5.9628 -5.8637 -5.8637 -5.0173 -5.0173 -4.9013 -4.9013 -4.6420 -4.6420 -3.9036 -3.9036 -3.8315 -3.8315 2.9044 2.9044 3.6389 3.6389 4.0216 4.0216 4.3749 4.3749 4.4388 4.4388 4.6985 4.6985 4.7249 4.7249 5.0866 5.0866 6.3395 6.3395 6.3463 6.3463 6.7616 6.7616 6.7685 6.7685 13.1147 13.1147 13.3378 13.3378 13.7027 13.7027 13.7037 13.7037 k = 0.0000 0.4722-0.0000 ( 2850 PWs) bands (ev): -6.7207 -6.7207 -6.5256 -6.5256 -5.9631 -5.9631 -5.8642 -5.8642 -5.0187 -5.0187 -4.9010 -4.9010 -4.6464 -4.6464 -3.9026 -3.9026 -3.8305 -3.8305 2.9237 2.9237 3.6603 3.6603 4.0085 4.0085 4.3496 4.3496 4.4895 4.4895 4.6913 4.6913 4.7178 4.7178 5.0198 5.0198 6.3619 6.3619 6.3682 6.3682 6.7379 6.7379 6.7444 6.7444 13.1759 13.1759 13.3269 13.3269 13.7377 13.7377 13.7384 13.7384 k = 0.0000 0.4861-0.0000 ( 2866 PWs) bands (ev): -6.6882 -6.6882 -6.5570 -6.5570 -5.9632 -5.9632 -5.8645 -5.8645 -5.0197 -5.0197 -4.9009 -4.9009 -4.6491 -4.6491 -3.9021 -3.9021 -3.8300 -3.8300 2.9356 2.9356 3.6738 3.6738 3.9991 3.9991 4.3334 4.3334 4.5292 4.5292 4.6870 4.6870 4.7136 4.7136 4.9714 4.9714 6.3769 6.3769 6.3827 6.3827 6.7222 6.7222 6.7284 6.7284 13.2285 13.2285 13.3048 13.3048 13.7590 13.7590 13.7594 13.7594 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -6.6729 -6.6729 -6.5719 -6.5719 -5.9633 -5.9633 -5.8646 -5.8646 -5.0200 -5.0200 -4.9009 -4.9009 -4.6500 -4.6500 -3.9019 -3.9019 -3.8298 -3.8298 2.9397 2.9397 3.6785 3.6785 3.9957 3.9957 4.3279 4.3279 4.5449 4.5449 4.6854 4.6854 4.7121 4.7121 4.9530 4.9530 6.3822 6.3822 6.3878 6.3878 6.7166 6.7166 6.7227 6.7227 13.2690 13.2690 13.2746 13.2746 13.7661 13.7661 13.7664 13.7664 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -6.6729 -6.6729 -6.5719 -6.5719 -5.9633 -5.9633 -5.8646 -5.8646 -5.0200 -5.0200 -4.9009 -4.9009 -4.6500 -4.6500 -3.9019 -3.9019 -3.8298 -3.8298 2.9397 2.9397 3.6785 3.6785 3.9957 3.9957 4.3279 4.3279 4.5449 4.5449 4.6854 4.6854 4.7121 4.7121 4.9530 4.9530 6.3822 6.3822 6.3878 6.3878 6.7166 6.7166 6.7227 6.7227 13.2690 13.2690 13.2746 13.2746 13.7661 13.7661 13.7664 13.7664 k = 0.0139 0.5000-0.0000 ( 2866 PWs) bands (ev): -6.6732 -6.6718 -6.5716 -6.5711 -5.9637 -5.9631 -5.8671 -5.8623 -5.0216 -5.0181 -4.9012 -4.9006 -4.6508 -4.6487 -3.9029 -3.9020 -3.8314 -3.8293 2.9383 2.9387 3.6756 3.6761 3.9902 3.9937 4.3195 4.3200 4.5402 4.5411 4.6952 4.6974 4.7228 4.7231 4.9505 4.9508 6.3817 6.3822 6.3889 6.3892 6.7156 6.7166 6.7225 6.7235 13.2714 13.2717 13.2767 13.2783 13.7672 13.7674 13.7678 13.7678 k = 0.0278 0.5000-0.0000 ( 2862 PWs) bands (ev): -6.6726 -6.6698 -6.5701 -6.5692 -5.9643 -5.9632 -5.8699 -5.8603 -5.0232 -5.0162 -4.9016 -4.9003 -4.6511 -4.6470 -3.9051 -3.9035 -3.8342 -3.8299 2.9345 2.9351 3.6669 3.6681 3.9787 3.9851 4.2973 4.2983 4.5292 4.5308 4.7202 4.7251 4.7545 4.7560 4.9440 4.9449 6.3779 6.3780 6.3951 6.3968 6.7108 6.7129 6.7256 6.7275 13.2790 13.2795 13.2846 13.2877 13.7704 13.7709 13.7723 13.7723 k = 0.0417 0.5000-0.0000 ( 2858 PWs) bands (ev): -6.6712 -6.6669 -6.5676 -6.5662 -5.9651 -5.9636 -5.8728 -5.8586 -5.0245 -5.0141 -4.9020 -4.9001 -4.6509 -4.6447 -3.9085 -3.9062 -3.8381 -3.8315 2.9281 2.9291 3.6517 3.6539 3.9646 3.9728 4.2669 4.2681 4.5147 4.5170 4.7519 4.7574 4.8039 4.8057 4.9370 4.9395 6.3696 6.3702 6.4070 6.4096 6.7019 6.7048 6.7327 6.7352 13.2918 13.2925 13.2983 13.3029 13.7758 13.7765 13.7799 13.7799 k = 0.0556 0.5000-0.0000 ( 2858 PWs) bands (ev): -6.6690 -6.6632 -6.5639 -6.5620 -5.9660 -5.9644 -5.8757 -5.8573 -5.0257 -5.0120 -4.9025 -4.9000 -4.6503 -4.6420 -3.9131 -3.9102 -3.8432 -3.8341 2.9194 2.9207 3.6292 3.6329 3.9515 3.9606 4.2329 4.2341 4.4974 4.5002 4.7790 4.7821 4.8645 4.8655 4.9396 4.9449 6.3580 6.3588 6.4233 6.4268 6.6895 6.6932 6.7429 6.7461 13.3096 13.3105 13.3176 13.3237 13.7834 13.7843 13.7905 13.7906 k = 0.0694 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.6659 -6.6587 -6.5591 -6.5568 -5.9671 -5.9657 -5.8786 -5.8564 -5.0266 -5.0099 -4.9030 -4.8999 -4.6492 -4.6388 -3.9188 -3.9157 -3.8493 -3.8377 2.9085 2.9100 3.5995 3.6048 3.9423 3.9513 4.1983 4.1995 4.4773 4.4807 4.7846 4.7849 4.9309 4.9324 4.9677 4.9748 6.3429 6.3441 6.4432 6.4471 6.6739 6.6787 6.7559 6.7596 13.3324 13.3335 13.3424 13.3500 13.7934 13.7944 13.8043 13.8043 k = 0.0833 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.6620 -6.6534 -6.5532 -6.5505 -5.9684 -5.9675 -5.8813 -5.8558 -5.0273 -5.0077 -4.9036 -4.8999 -4.6477 -4.6351 -3.9258 -3.9225 -3.8565 -3.8421 2.8954 2.8972 3.5634 3.5704 3.9382 3.9466 4.1649 4.1659 4.4547 4.4587 4.7644 4.7664 4.9985 5.0052 5.0241 5.0283 6.3246 6.3260 6.4656 6.4695 6.6557 6.6619 6.7714 6.7758 13.3602 13.3615 13.3727 13.3818 13.8055 13.8068 13.8212 13.8213 k = 0.0972 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.6573 -6.6472 -6.5464 -6.5432 -5.9700 -5.9699 -5.8839 -5.8557 -5.0278 -5.0055 -4.9042 -4.8999 -4.6457 -4.6309 -3.9339 -3.9308 -3.8647 -3.8473 2.8804 2.8824 3.5224 3.5310 3.9393 3.9469 4.1334 4.1343 4.4300 4.4345 4.7306 4.7331 5.0696 5.0815 5.0958 5.0959 6.3032 6.3047 6.4888 6.4918 6.6361 6.6444 6.7892 6.7941 13.3928 13.3942 13.4082 13.4186 13.8200 13.8215 13.8414 13.8415 k = 0.1111 0.5000-0.0000 ( 2846 PWs) bands (ev): -6.6518 -6.6403 -6.5385 -6.5349 -5.9731 -5.9715 -5.8860 -5.8559 -5.0279 -5.0033 -4.9049 -4.9000 -4.6432 -4.6262 -3.9433 -3.9405 -3.8738 -3.8533 2.8636 2.8659 3.4781 3.4881 3.9450 3.9519 4.1042 4.1049 4.4039 4.4088 4.6887 4.6912 5.1453 5.1603 5.1714 5.1740 6.2786 6.2803 6.5090 6.5097 6.6184 6.6301 6.8089 6.8143 13.4301 13.4317 13.4486 13.4605 13.8369 13.8387 13.8649 13.8651 k = 0.1250 0.5000-0.0000 ( 2850 PWs) bands (ev): -6.6456 -6.6325 -6.5296 -6.5256 -5.9770 -5.9733 -5.8879 -5.8565 -5.0278 -5.0012 -4.9056 -4.9002 -4.6403 -4.6209 -3.9539 -3.9517 -3.8837 -3.8600 2.8454 2.8478 3.4322 3.4432 3.9548 3.9609 4.0769 4.0776 4.3770 4.3823 4.6413 4.6438 5.2248 5.2411 5.2515 5.2553 6.2510 6.2529 6.5151 6.5170 6.6113 6.6266 6.8301 6.8360 13.4720 13.4737 13.4938 13.5070 13.8563 13.8583 13.8920 13.8923 k = 0.1389 0.5000-0.0000 ( 2844 PWs) bands (ev): -6.6385 -6.6240 -6.5198 -6.5154 -5.9817 -5.9754 -5.8892 -5.8575 -5.0274 -4.9991 -4.9063 -4.9004 -4.6369 -4.6152 -3.9658 -3.9643 -3.8944 -3.8673 2.8261 2.8286 3.3857 3.3977 3.9680 3.9734 4.0512 4.0518 4.3505 4.3561 4.5901 4.5925 5.3068 5.3238 5.3343 5.3388 6.2205 6.2225 6.5021 6.5041 6.6232 6.6394 6.8527 6.8590 13.5182 13.5201 13.5434 13.5578 13.8782 13.8805 13.9228 13.9231 k = 0.1528 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.6308 -6.6148 -6.5091 -6.5043 -5.9871 -5.9777 -5.8901 -5.8588 -5.0267 -4.9971 -4.9071 -4.9008 -4.6330 -4.6089 -3.9790 -3.9783 -3.9058 -3.8753 2.8058 2.8085 3.3397 3.3524 3.9840 3.9888 4.0263 4.0269 4.3254 4.3312 4.5360 4.5383 5.3906 5.4078 5.4189 5.4235 6.1872 6.1894 6.4756 6.4763 6.6475 6.6632 6.8761 6.8828 13.5687 13.5706 13.5970 13.6126 13.9028 13.9053 13.9574 13.9578 k = 0.1667 0.5000-0.0000 ( 2852 PWs) bands (ev): -6.6223 -6.6049 -6.4976 -6.4925 -5.9934 -5.9803 -5.8906 -5.8604 -5.0257 -4.9951 -4.9080 -4.9012 -4.6286 -4.6021 -3.9935 -3.9933 -3.9178 -3.8839 2.7851 2.7879 3.2948 3.3081 3.9976 3.9993 4.0066 4.0084 4.3029 4.3089 4.4799 4.4821 5.4754 5.4924 5.5044 5.5091 6.1514 6.1537 6.4411 6.4415 6.6768 6.6919 6.9001 6.9072 13.6231 13.6250 13.6541 13.6709 13.9301 13.9328 13.9962 13.9966 k = 0.1806 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.6132 -6.5943 -6.4853 -6.4799 -6.0004 -5.9832 -5.8906 -5.8622 -5.0244 -4.9932 -4.9090 -4.9017 -4.6237 -4.5948 -4.0100 -4.0088 -3.9304 -3.8932 2.7642 2.7670 3.2517 3.2654 3.9737 3.9740 4.0242 4.0273 4.2844 4.2904 4.4226 4.4247 5.5607 5.5775 5.5905 5.5952 6.1131 6.1155 6.4014 6.4027 6.7079 6.7226 6.9244 6.9317 13.6813 13.6832 13.7144 13.7321 13.9603 13.9633 14.0396 14.0399 k = 0.1944 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.6034 -6.5831 -6.4723 -6.4666 -6.0081 -5.9865 -5.8901 -5.8641 -5.0228 -4.9914 -4.9100 -4.9022 -4.6183 -4.5870 -4.0275 -4.0253 -3.9435 -3.9031 2.7434 2.7463 3.2107 3.2248 3.9447 3.9453 4.0461 4.0483 4.2709 4.2767 4.3649 4.3673 5.6458 5.6624 5.6767 5.6812 6.0726 6.0751 6.3584 6.3603 6.7394 6.7538 6.9487 6.9562 13.7429 13.7448 13.7773 13.7958 13.9935 13.9968 14.0876 14.0879 k = 0.2083 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.5930 -6.5712 -6.4587 -6.4528 -6.0165 -5.9902 -5.8893 -5.8662 -5.0209 -4.9897 -4.9111 -4.9029 -4.6124 -4.5786 -4.0460 -4.0429 -3.9572 -3.9136 2.7231 2.7259 3.1721 3.1865 3.9130 3.9139 4.0682 4.0691 4.2627 4.2682 4.3088 4.3117 5.7305 5.7466 5.7626 5.7668 6.0300 6.0327 6.3127 6.3151 6.7708 6.7849 6.9727 6.9804 13.8076 13.8094 13.8423 13.8614 14.0298 14.0334 14.1408 14.1408 k = 0.2222 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.5820 -6.5587 -6.4446 -6.4385 -6.0255 -5.9944 -5.8882 -5.8684 -5.0187 -4.9881 -4.9122 -4.9036 -4.6060 -4.5698 -4.0654 -4.0613 -3.9714 -3.9248 2.7034 2.7062 3.1362 3.1508 3.8785 3.8796 4.0856 4.0870 4.2540 4.2561 4.2661 4.2687 5.8143 5.8299 5.8476 5.8513 5.9857 5.9888 6.2646 6.2675 6.8014 6.8153 6.9962 7.0040 13.8750 13.8767 13.9087 13.9282 14.0695 14.0735 14.1989 14.1994 k = 0.2361 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.5705 -6.5457 -6.4300 -6.4239 -6.0351 -5.9990 -5.8868 -5.8705 -5.0162 -4.9865 -4.9135 -4.9045 -4.5990 -4.5605 -4.0854 -4.0804 -3.9860 -3.9366 2.6846 2.6874 3.1032 3.1179 3.8414 3.8429 4.0871 4.0922 4.2195 4.2273 4.2650 4.2701 5.8963 5.9117 5.9246 5.9254 5.9469 5.9530 6.2147 6.2177 6.8312 6.8447 7.0189 7.0268 13.9446 13.9461 13.9764 13.9959 14.1129 14.1172 14.2624 14.2634 k = 0.2500 0.5000-0.0000 ( 2854 PWs) bands (ev): -6.5584 -6.5322 -6.4150 -6.4089 -6.0451 -6.0043 -5.8851 -5.8725 -5.0135 -4.9851 -4.9148 -4.9054 -4.5914 -4.5506 -4.1061 -4.1000 -4.0012 -3.9490 2.6671 2.6698 3.0733 3.0881 3.8024 3.8041 4.0607 4.0676 4.2151 4.2242 4.2732 4.2782 5.8892 5.8911 5.9776 5.9918 6.0174 6.0214 6.1633 6.1665 6.8597 6.8730 7.0405 7.0485 14.0157 14.0169 14.0448 14.0642 14.1603 14.1650 14.3311 14.3329 k = 0.2639 0.5000-0.0000 ( 2840 PWs) bands (ev): -6.5458 -6.5182 -6.3997 -6.3938 -6.0556 -6.0101 -5.8832 -5.8744 -5.0105 -4.9837 -4.9162 -4.9064 -4.5833 -4.5403 -4.1271 -4.1200 -4.0168 -3.9620 2.6508 2.6534 3.0466 3.0614 3.7620 3.7638 4.0138 4.0205 4.2351 4.2436 4.2862 4.2911 5.8401 5.8425 6.0522 6.0664 6.0989 6.1018 6.1147 6.1171 6.8869 6.8999 7.0611 7.0690 14.0876 14.0885 14.1141 14.1330 14.2124 14.2174 14.4049 14.4075 k = 0.2778 0.5000-0.0000 ( 2844 PWs) bands (ev): -6.5328 -6.5038 -6.3843 -6.3787 -6.0666 -6.0166 -5.8812 -5.8760 -5.0073 -4.9825 -4.9177 -4.9075 -4.5746 -4.5296 -4.1484 -4.1402 -4.0328 -3.9756 2.6360 2.6385 3.0231 3.0378 3.7207 3.7227 3.9591 3.9655 4.2652 4.2731 4.3034 4.3083 5.7894 5.7920 6.0478 6.0536 6.1406 6.1513 6.1789 6.1818 6.9124 6.9250 7.0800 7.0879 14.1591 14.1597 14.1842 14.2025 14.2696 14.2749 14.4832 14.4866 k = 0.2917 0.5000-0.0000 ( 2840 PWs) bands (ev): -6.5194 -6.4891 -6.3687 -6.3637 -6.0780 -6.0237 -5.8790 -5.8773 -5.0039 -4.9813 -4.9194 -4.9088 -4.5653 -4.5185 -4.1697 -4.1605 -4.0492 -3.9897 2.6227 2.6250 3.0029 3.0176 3.6791 3.6812 3.9017 3.9081 4.3000 4.3076 4.3244 4.3294 5.7375 5.7402 5.9937 5.9988 6.2131 6.2240 6.2571 6.2594 6.9363 6.9484 7.0974 7.1053 14.2295 14.2299 14.2552 14.2728 14.3326 14.3380 14.5655 14.5697 k = 0.3056 0.5000-0.0000 ( 2844 PWs) bands (ev): -6.5056 -6.4740 -6.3533 -6.3491 -6.0898 -6.0315 -5.8783 -5.8767 -5.0004 -4.9802 -4.9212 -4.9101 -4.5555 -4.5070 -4.1909 -4.1805 -4.0659 -4.0043 2.6110 2.6132 2.9860 3.0006 3.6376 3.6398 3.8438 3.8503 4.3373 4.3453 4.3487 4.3544 5.6845 5.6873 5.9368 5.9417 6.2849 6.2951 6.3329 6.3347 6.9582 6.9700 7.1130 7.1208 14.2985 14.2989 14.3272 14.3442 14.4013 14.4065 14.6509 14.6559 k = 0.3194 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.4915 -6.4587 -6.3379 -6.3348 -6.1020 -6.0400 -5.8788 -5.8743 -4.9967 -4.9791 -4.9231 -4.9116 -4.5451 -4.4952 -4.2119 -4.2002 -4.0829 -4.0193 2.6009 2.6030 2.9725 2.9869 3.5968 3.5989 3.7862 3.7929 4.3743 4.3759 4.3850 4.3856 5.6308 5.6336 5.8785 5.8834 6.3541 6.3636 6.4062 6.4076 6.9782 6.9894 7.1266 7.1342 14.3665 14.3673 14.4003 14.4169 14.4746 14.4795 14.7389 14.7444 k = 0.3333 0.5000-0.0000 ( 2858 PWs) bands (ev): -6.4771 -6.4432 -6.3228 -6.3212 -6.1145 -6.0491 -5.8790 -5.8719 -4.9929 -4.9781 -4.9252 -4.9132 -4.5341 -4.4833 -4.2323 -4.2193 -4.1002 -4.0349 2.5924 2.5943 2.9623 2.9766 3.5570 3.5591 3.7296 3.7365 4.4060 4.4077 4.4239 4.4276 5.5763 5.5792 5.8194 5.8244 6.4203 6.4290 6.4768 6.4777 6.9960 7.0067 7.1381 7.1456 14.4345 14.4356 14.4748 14.4910 14.5510 14.5555 14.8285 14.8344 k = 0.3472 0.5000-0.0000 ( 2846 PWs) bands (ev): -6.4624 -6.4275 -6.3083 -6.3080 -6.1272 -6.0587 -5.8788 -5.8695 -4.9889 -4.9770 -4.9274 -4.9150 -4.5225 -4.4711 -4.2521 -4.2375 -4.1175 -4.0507 2.5855 2.5873 2.9554 2.9695 3.5185 3.5206 3.6742 3.6814 4.4387 4.4412 4.4671 4.4715 5.5214 5.5244 5.7598 5.7648 6.4834 6.4912 6.5446 6.5450 7.0117 7.0218 7.1473 7.1546 14.5033 14.5049 14.5505 14.5664 14.6292 14.6333 14.9191 14.9252 k = 0.3611 0.5000-0.0000 ( 2846 PWs) bands (ev): -6.4475 -6.4118 -6.2964 -6.2937 -6.1403 -6.0689 -5.8781 -5.8672 -4.9849 -4.9759 -4.9297 -4.9169 -4.5104 -4.4591 -4.2709 -4.2546 -4.1348 -4.0668 2.5801 2.5817 2.9518 2.9655 3.4818 3.4837 3.6206 3.6280 4.4737 4.4765 4.5123 4.5169 5.4661 5.4691 5.6999 5.7049 6.5430 6.5499 6.6091 6.6092 7.0251 7.0346 7.1541 7.1612 14.5734 14.5754 14.6275 14.6431 14.7077 14.7114 15.0097 15.0159 k = 0.3750 0.5000-0.0000 ( 2838 PWs) bands (ev): -6.4324 -6.3961 -6.2855 -6.2800 -6.1535 -6.0796 -5.8770 -5.8650 -4.9808 -4.9748 -4.9322 -4.9189 -4.4978 -4.4472 -4.2887 -4.2704 -4.1520 -4.0832 2.5761 2.5776 2.9512 2.9646 3.4472 3.4490 3.5689 3.5766 4.5109 4.5138 4.5589 4.5636 5.4105 5.4136 5.6398 5.6449 6.5989 6.6049 6.6701 6.6706 7.0361 7.0449 7.1583 7.1651 14.6451 14.6474 14.7055 14.7209 14.7856 14.7889 15.0996 15.1056 k = 0.3889 0.5000-0.0000 ( 2842 PWs) bands (ev): -6.4172 -6.3806 -6.2760 -6.2669 -6.1670 -6.0908 -5.8756 -5.8630 -4.9768 -4.9736 -4.9348 -4.9211 -4.4847 -4.4359 -4.3052 -4.2845 -4.1688 -4.0997 2.5733 2.5746 2.9536 2.9666 3.4149 3.4166 3.5194 3.5273 4.5501 4.5531 4.6067 4.6113 5.3549 5.3580 5.5799 5.5849 6.6509 6.6561 6.7276 6.7286 7.0447 7.0528 7.1598 7.1664 14.7183 14.7209 14.7840 14.7990 14.8616 14.8645 15.1877 15.1934 k = 0.4028 0.5000-0.0000 ( 2842 PWs) bands (ev): -6.4019 -6.3653 -6.2680 -6.2545 -6.1805 -6.1022 -5.8739 -5.8613 -4.9728 -4.9723 -4.9375 -4.9235 -4.4713 -4.4255 -4.3202 -4.2967 -4.1849 -4.1163 2.5716 2.5727 2.9588 2.9712 3.3855 3.3869 3.4726 3.4806 4.5912 4.5942 4.6554 4.6600 5.2993 5.3024 5.5204 5.5254 6.6988 6.7031 6.7817 6.7831 7.0509 7.0582 7.1584 7.1646 14.7928 14.7956 14.8623 14.8769 14.9347 14.9371 15.2729 15.2781 k = 0.4167 0.5000-0.0000 ( 2840 PWs) bands (ev): -6.3866 -6.3505 -6.2616 -6.2430 -6.1939 -6.1138 -5.8719 -5.8599 -4.9709 -4.9688 -4.9402 -4.9260 -4.4577 -4.4165 -4.3336 -4.3069 -4.1998 -4.1328 2.5707 2.5717 2.9664 2.9782 3.3590 3.3603 3.4289 3.4369 4.6339 4.6370 4.7046 4.7091 5.2439 5.2471 5.4618 5.4667 6.7423 6.7458 6.8321 6.8340 7.0548 7.0613 7.1540 7.1600 14.8680 14.8710 14.9394 14.9535 15.0036 15.0056 15.3540 15.3585 k = 0.4306 0.5000-0.0000 ( 2844 PWs) bands (ev): -6.3714 -6.3363 -6.2570 -6.2330 -6.2065 -6.1254 -5.8697 -5.8588 -4.9693 -4.9649 -4.9429 -4.9286 -4.4440 -4.4092 -4.3449 -4.3150 -4.2129 -4.1491 2.5705 2.5713 2.9760 2.9869 3.3360 3.3370 3.3888 3.3966 4.6784 4.6814 4.7539 4.7583 5.1888 5.1920 5.4045 5.4092 6.7812 6.7839 6.8789 6.8813 7.0564 7.0620 7.1465 7.1522 14.9432 14.9464 15.0138 15.0271 15.0669 15.0684 15.4292 15.4328 k = 0.4444 0.5000-0.0000 ( 2844 PWs) bands (ev): -6.3563 -6.3233 -6.2542 -6.2293 -6.2133 -6.1370 -5.8675 -5.8582 -4.9676 -4.9612 -4.9455 -4.9314 -4.4306 -4.4041 -4.3540 -4.3216 -4.2231 -4.1651 2.5708 2.5714 2.9870 2.9968 3.3167 3.3174 3.3531 3.3605 4.7243 4.7273 4.8025 4.8067 5.1342 5.1374 5.3494 5.3540 6.8149 6.8168 6.9218 6.9247 7.0563 7.0608 7.1359 7.1412 15.0170 15.0203 15.0835 15.0955 15.1231 15.1240 15.4966 15.4992 k = 0.4583 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.3415 -6.3118 -6.2533 -6.2380 -6.2075 -6.1483 -5.8654 -5.8579 -4.9657 -4.9581 -4.9476 -4.9344 -4.4183 -4.4009 -4.3602 -4.3279 -4.2292 -4.1804 2.5712 2.5717 2.9985 3.0067 3.3014 3.3018 3.3230 3.3295 4.7715 4.7745 4.8489 4.8527 5.0801 5.0834 5.2981 5.3023 6.8429 6.8441 6.9610 6.9643 7.0548 7.0581 7.1221 7.1269 15.0869 15.0903 15.1454 15.1556 15.1705 15.1708 15.5534 15.5550 k = 0.4722 0.5000-0.0000 ( 2848 PWs) bands (ev): -6.3274 -6.3033 -6.2542 -6.2486 -6.1986 -6.1592 -5.8633 -5.8582 -4.9636 -4.9565 -4.9483 -4.9374 -4.4082 -4.3993 -4.3625 -4.3352 -4.2304 -4.1947 2.5718 2.5721 3.0092 3.0153 3.2903 3.2903 3.2999 3.3050 4.8200 4.8229 4.8904 4.8934 5.0269 5.0302 5.2535 5.2570 6.8642 6.8649 6.9961 7.0000 7.0529 7.0547 7.1050 7.1094 15.1482 15.1515 15.1951 15.2029 15.2077 15.2078 15.5969 15.5975 k = 0.4861 0.5000-0.0000 ( 2840 PWs) bands (ev): -6.3144 -6.3000 -6.2563 -6.2560 -6.1892 -6.1697 -5.8615 -5.8589 -4.9614 -4.9573 -4.9466 -4.9406 -4.4018 -4.3987 -4.3598 -4.3438 -4.2265 -4.2077 2.5722 2.5723 3.0175 3.0208 3.2831 3.2835 3.2856 3.2888 4.8692 4.8720 4.9217 4.9230 4.9750 4.9784 5.2213 5.2234 6.8779 6.8782 7.0264 7.0310 7.0519 7.0522 7.0852 7.0887 15.1921 15.1945 15.2266 15.2308 15.2352 15.2357 15.6241 15.6242 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -6.3042 -6.3042 -6.2579 -6.2579 -6.1796 -6.1796 -5.8600 -5.8600 -4.9592 -4.9592 -4.9437 -4.9437 -4.3992 -4.3992 -4.3527 -4.3527 -4.2186 -4.2186 2.5724 2.5724 3.0217 3.0217 3.2803 3.2803 3.2826 3.2826 4.9117 4.9117 4.9277 4.9277 4.9412 4.9412 5.2097 5.2097 6.8827 6.8827 7.0440 7.0440 7.0565 7.0565 7.0701 7.0701 15.2087 15.2087 15.2390 15.2390 15.2467 15.2467 15.6091 15.6091 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -6.3042 -6.3042 -6.2579 -6.2579 -6.1796 -6.1796 -5.8600 -5.8600 -4.9592 -4.9592 -4.9437 -4.9437 -4.3992 -4.3992 -4.3527 -4.3527 -4.2186 -4.2186 2.5724 2.5724 3.0217 3.0217 3.2803 3.2803 3.2826 3.2826 4.9117 4.9117 4.9277 4.9277 4.9412 4.9412 5.2097 5.2097 6.8827 6.8827 7.0440 7.0440 7.0565 7.0565 7.0701 7.0701 15.2087 15.2087 15.2390 15.2390 15.2467 15.2467 15.6091 15.6091 k = 0.4902 0.4902-0.0000 ( 2840 PWs) bands (ev): -6.3145 -6.2998 -6.2569 -6.2553 -6.1891 -6.1698 -5.8615 -5.8589 -4.9615 -4.9571 -4.9467 -4.9406 -4.4013 -4.3991 -4.3599 -4.3437 -4.2265 -4.2077 2.5722 2.5723 3.0176 3.0208 3.2815 3.2816 3.2875 3.2904 4.8645 4.8683 4.9339 4.9349 4.9672 4.9699 5.2216 5.2238 6.8779 6.8782 7.0287 7.0339 7.0480 7.0480 7.0867 7.0902 15.1900 15.1939 15.2257 15.2291 15.2381 15.2388 15.6206 15.6206 k = 0.4804 0.4804-0.0000 ( 2844 PWs) bands (ev): -6.3284 -6.3026 -6.2542 -6.2484 -6.1975 -6.1601 -5.8634 -5.8581 -4.9640 -4.9553 -4.9493 -4.9373 -4.4046 -4.4021 -4.3638 -4.3346 -4.2307 -4.1944 2.5718 2.5721 3.0097 3.0156 3.2824 3.2827 3.3073 3.3121 4.8021 4.8068 4.9361 4.9367 4.9967 4.9980 5.2570 5.2610 6.8647 6.8651 7.0055 7.0102 7.0355 7.0379 7.1126 7.1165 15.1328 15.1418 15.1992 15.2015 15.2210 15.2211 15.5938 15.5944 k = 0.4706 0.4706-0.0000 ( 2848 PWs) bands (ev): -6.3447 -6.3115 -6.2506 -6.2388 -6.2041 -6.1508 -5.8657 -5.8576 -4.9667 -4.9535 -4.9515 -4.9340 -4.4085 -4.4077 -4.3642 -4.3269 -4.2303 -4.1794 2.5713 2.5718 3.0002 3.0081 3.2838 3.2844 3.3389 3.3449 4.7353 4.7405 4.9391 4.9395 5.0159 5.0165 5.3099 5.3149 6.8444 6.8448 6.9803 6.9843 7.0167 7.0214 7.1398 7.1437 15.0511 15.0627 15.1630 15.1651 15.1930 15.1936 15.5492 15.5503 k = 0.4608 0.4608-0.0000 ( 2842 PWs) bands (ev): -6.3628 -6.3253 -6.2465 -6.2284 -6.2082 -6.1420 -5.8682 -5.8574 -4.9696 -4.9533 -4.9517 -4.9308 -4.4147 -4.4127 -4.3622 -4.3213 -4.2248 -4.1630 2.5710 2.5716 2.9909 3.0002 3.2858 3.2867 3.3798 3.3866 4.6666 4.6721 4.9431 4.9435 5.0291 5.0291 5.3734 5.3791 6.8188 6.8191 6.9528 6.9560 6.9916 6.9982 7.1677 7.1715 14.9571 14.9700 15.1160 15.1183 15.1543 15.1554 15.4916 15.4931 k = 0.4510 0.4510-0.0000 ( 2834 PWs) bands (ev): -6.3827 -6.3433 -6.2419 -6.2197 -6.2080 -6.1339 -5.8711 -5.8574 -4.9726 -4.9548 -4.9501 -4.9277 -4.4217 -4.4170 -4.3588 -4.3177 -4.2147 -4.1456 2.5710 2.5718 2.9831 2.9934 3.2883 3.2895 3.4284 3.4356 4.5973 4.6031 4.9482 4.9485 5.0391 5.0393 5.4429 5.4490 6.7894 6.7897 6.9221 6.9247 6.9601 6.9684 7.1956 7.1994 14.8565 14.8701 15.0591 15.0617 15.1053 15.1066 15.4233 15.4254 k = 0.4412 0.4412-0.0000 ( 2844 PWs) bands (ev): -6.4044 -6.3648 -6.2368 -6.2164 -6.2005 -6.1265 -5.8742 -5.8574 -4.9755 -4.9561 -4.9484 -4.9248 -4.4282 -4.4212 -4.3546 -4.3154 -4.2012 -4.1276 2.5716 2.5726 2.9776 2.9886 3.2913 3.2928 3.4830 3.4904 4.5283 4.5343 4.9544 4.9547 5.0479 5.0483 5.5158 5.5221 6.7572 6.7574 6.8875 6.8897 6.9225 6.9325 7.2233 7.2270 14.7520 14.7660 14.9936 14.9965 15.0462 15.0478 15.3460 15.3487 k = 0.4314 0.4314-0.0000 ( 2848 PWs) bands (ev): -6.4278 -6.3893 -6.2313 -6.2148 -6.1895 -6.1196 -5.8775 -5.8575 -4.9782 -4.9571 -4.9468 -4.9221 -4.4337 -4.4250 -4.3497 -4.3136 -4.1854 -4.1092 2.5730 2.5741 2.9746 2.9862 3.2948 3.2965 3.5429 3.5504 4.4603 4.4665 4.9617 4.9619 5.0567 5.0571 5.5906 5.5971 6.7230 6.7232 6.8491 6.8509 6.8795 6.8910 7.2505 7.2541 14.6453 14.6593 14.9211 14.9242 14.9777 14.9795 15.2611 15.2643 k = 0.4216 0.4216-0.0000 ( 2848 PWs) bands (ev): -6.4530 -6.4164 -6.2254 -6.2127 -6.1777 -6.1132 -5.8809 -5.8575 -4.9807 -4.9580 -4.9452 -4.9197 -4.4381 -4.4283 -4.3443 -4.3117 -4.1681 -4.0906 2.5754 2.5767 2.9743 2.9866 3.2986 3.3006 3.6070 3.6148 4.3938 4.4003 4.9700 4.9702 5.0656 5.0662 5.6666 5.6731 6.6872 6.6875 6.8068 6.8086 6.8316 6.8443 7.2771 7.2806 14.5374 14.5513 14.8429 14.8462 14.9005 14.9024 15.1691 15.1730 k = 0.4118 0.4118-0.0000 ( 2854 PWs) bands (ev): -6.4799 -6.4458 -6.2190 -6.2096 -6.1657 -6.1072 -5.8844 -5.8575 -4.9829 -4.9587 -4.9436 -4.9175 -4.4414 -4.4309 -4.3385 -4.3095 -4.1500 -4.0720 2.5789 2.5802 2.9770 2.9897 3.3028 3.3050 3.6745 3.6825 4.3297 4.3367 4.9794 4.9796 5.0751 5.0758 5.7430 5.7496 6.6501 6.6505 6.7608 6.7630 6.7795 6.7929 7.3029 7.3063 14.4290 14.4427 14.7600 14.7635 14.8153 14.8173 15.0710 15.0755 k = 0.4020 0.4020-0.0000 ( 2856 PWs) bands (ev): -6.5085 -6.4771 -6.2121 -6.2057 -6.1534 -6.1015 -5.8879 -5.8573 -4.9847 -4.9593 -4.9421 -4.9155 -4.4435 -4.4326 -4.3322 -4.3066 -4.1317 -4.0538 2.5834 2.5847 2.9826 2.9958 3.3071 3.3096 3.7440 3.7524 4.2691 4.2768 4.9897 4.9900 5.0853 5.0860 5.8197 5.8263 6.6117 6.6124 6.7107 6.7146 6.7245 6.7375 7.3280 7.3313 14.3203 14.3337 14.6734 14.6769 14.7230 14.7250 14.9674 14.9724 k = 0.3922 0.3922-0.0000 ( 2856 PWs) bands (ev): -6.5388 -6.5102 -6.2048 -6.2011 -6.1411 -6.0960 -5.8913 -5.8569 -4.9861 -4.9598 -4.9405 -4.9137 -4.4443 -4.4335 -4.3255 -4.3032 -4.1135 -4.0360 2.5888 2.5900 2.9913 3.0050 3.3116 3.3143 3.8129 3.8220 4.2145 4.2231 5.0011 5.0013 5.0961 5.0969 5.8962 5.9028 6.5720 6.5730 6.6552 6.6641 6.6692 6.6785 7.3521 7.3554 14.2120 14.2250 14.5835 14.5871 14.6243 14.6263 14.8589 14.8645 k = 0.3824 0.3824-0.0000 ( 2864 PWs) bands (ev): -6.5706 -6.5448 -6.1971 -6.1958 -6.1286 -6.0906 -5.8947 -5.8563 -4.9872 -4.9603 -4.9392 -4.9122 -4.4439 -4.4334 -4.3184 -4.2990 -4.0956 -4.0189 2.5947 2.5959 3.0031 3.0174 3.3161 3.3190 3.8753 3.8854 4.1715 4.1815 5.0134 5.0136 5.1077 5.1086 5.9723 5.9788 6.5305 6.5321 6.5942 6.6126 6.6153 6.6167 7.3754 7.3786 14.1040 14.1167 14.4910 14.4946 14.5201 14.5221 14.7464 14.7525 k = 0.3725 0.3725-0.0000 ( 2864 PWs) bands (ev): -6.6037 -6.5807 -6.1898 -6.1889 -6.1159 -6.0853 -5.8980 -5.8555 -4.9880 -4.9606 -4.9378 -4.9108 -4.4424 -4.4322 -4.3109 -4.2942 -4.0784 -4.0026 2.6008 2.6019 3.0183 3.0331 3.3204 3.3236 3.9172 3.9274 4.1558 4.1662 5.0266 5.0268 5.1200 5.1210 6.0478 6.0541 6.4865 6.4889 6.5297 6.5528 6.5614 6.5627 7.3977 7.4008 13.9967 14.0089 14.3961 14.3996 14.4111 14.4131 14.6304 14.6371 k = 0.3627 0.3627-0.0000 ( 2860 PWs) bands (ev): -6.6381 -6.6176 -6.1833 -6.1804 -6.1032 -6.0801 -5.9011 -5.8545 -4.9883 -4.9608 -4.9366 -4.9095 -4.4396 -4.4299 -4.3030 -4.2887 -4.0618 -3.9871 2.6066 2.6075 3.0370 3.0522 3.3245 3.3279 3.9222 3.9295 4.1859 4.1937 5.0407 5.0409 5.1331 5.1342 6.1224 6.1283 6.4390 6.4425 6.4635 6.4876 6.5119 6.5121 7.4190 7.4221 13.8901 13.9019 14.2973 14.2993 14.2996 14.3030 14.5118 14.5190 k = 0.3529 0.3529-0.0000 ( 2852 PWs) bands (ev): -6.6736 -6.6555 -6.1763 -6.1715 -6.0904 -6.0748 -5.9041 -5.8534 -4.9883 -4.9610 -4.9354 -4.9085 -4.4357 -4.4265 -4.2947 -4.2826 -4.0462 -3.9727 2.6114 2.6123 3.0593 3.0749 3.3282 3.3318 3.8976 3.9015 4.2519 4.2568 5.0555 5.0558 5.1469 5.1480 6.1953 6.2003 6.3877 6.3921 6.3970 6.4228 6.4648 6.4654 7.4394 7.4425 13.7844 13.7957 14.1813 14.1831 14.1995 14.2030 14.3915 14.3990 k = 0.3431 0.3431-0.0000 ( 2848 PWs) bands (ev): -6.7100 -6.6940 -6.1689 -6.1623 -6.0776 -6.0695 -5.9069 -5.8520 -4.9879 -4.9611 -4.9343 -4.9075 -4.4306 -4.4220 -4.2860 -4.2759 -4.0315 -3.9593 2.6147 2.6155 3.0853 3.1011 3.3313 3.3352 3.8611 3.8629 4.3349 4.3380 5.0712 5.0715 5.1614 5.1626 6.2607 6.2636 6.3329 6.3364 6.3382 6.3652 6.4208 6.4219 7.4587 7.4617 13.6795 13.6904 14.0620 14.0638 14.0974 14.1008 14.2704 14.2783 k = 0.3333 0.3333-0.0000 ( 2844 PWs) bands (ev): -6.7471 -6.7331 -6.1611 -6.1528 -6.0647 -6.0642 -5.9095 -5.8505 -4.9873 -4.9611 -4.9334 -4.9068 -4.4244 -4.4163 -4.2769 -4.2686 -4.0179 -3.9470 2.6159 2.6167 3.1147 3.1305 3.3337 3.3378 3.8222 3.8226 4.4261 4.4283 5.0876 5.0879 5.1766 5.1779 6.2483 6.2644 6.2761 6.2818 6.3523 6.3691 6.3799 6.3807 7.4769 7.4798 13.5755 13.5860 13.9405 13.9422 13.9921 13.9957 14.1497 14.1576 k = 0.3235 0.3235-0.0000 ( 2848 PWs) bands (ev): -6.7848 -6.7726 -6.1529 -6.1431 -6.0588 -6.0520 -5.9119 -5.8489 -4.9865 -4.9611 -4.9326 -4.9061 -4.4172 -4.4096 -4.2674 -4.2608 -4.0054 -3.9360 2.6146 2.6154 3.1469 3.1625 3.3352 3.3394 3.7844 3.7853 4.5222 4.5240 5.1047 5.1050 5.1923 5.1938 6.1852 6.2068 6.2184 6.2242 6.3394 6.3412 6.4199 6.4307 7.4941 7.4970 13.4725 13.4825 13.8172 13.8189 13.8832 13.8870 14.0305 14.0383 k = 0.3137 0.3137-0.0000 ( 2856 PWs) bands (ev): -6.8229 -6.8123 -6.1445 -6.1332 -6.0533 -6.0393 -5.9140 -5.8472 -4.9854 -4.9610 -4.9319 -4.9057 -4.4089 -4.4017 -4.2576 -4.2524 -3.9941 -3.9262 2.6103 2.6112 3.1809 3.1959 3.3355 3.3399 3.7509 3.7531 4.6220 4.6234 5.1223 5.1226 5.2087 5.2103 6.1202 6.1435 6.1608 6.1667 6.3013 6.3030 6.4884 6.4982 7.5103 7.5131 13.3704 13.3800 13.6927 13.6943 13.7700 13.7743 13.9138 13.9213 k = 0.3039 0.3039-0.0000 ( 2856 PWs) bands (ev): -6.8611 -6.8519 -6.1358 -6.1232 -6.0478 -6.0268 -5.9158 -5.8454 -4.9841 -4.9609 -4.9313 -4.9053 -4.3995 -4.3928 -4.2475 -4.2435 -3.9840 -3.9175 2.6028 2.6038 3.2149 3.2288 3.3346 3.3392 3.7243 3.7280 4.7244 4.7257 5.1406 5.1409 5.2256 5.2273 6.0566 6.0808 6.1041 6.1100 6.2642 6.2658 6.5564 6.5656 7.5255 7.5282 13.2693 13.2784 13.5675 13.5691 13.6527 13.6575 13.8002 13.8072 k = 0.2941 0.2941-0.0000 ( 2856 PWs) bands (ev): -6.8995 -6.8915 -6.1269 -6.1130 -6.0422 -6.0146 -5.9171 -5.8436 -4.9826 -4.9606 -4.9308 -4.9050 -4.3891 -4.3829 -4.2370 -4.2341 -3.9750 -3.9101 2.5920 2.5930 3.2464 3.2584 3.3323 3.3369 3.7073 3.7131 4.8289 4.8301 5.1593 5.1597 5.2431 5.2449 5.9956 6.0203 6.0489 6.0549 6.2280 6.2295 6.6231 6.6320 7.5397 7.5423 13.1690 13.1778 13.4420 13.4435 13.5318 13.5371 13.6896 13.6959 k = 0.2843 0.2843-0.0000 ( 2848 PWs) bands (ev): -6.9377 -6.9309 -6.1178 -6.1027 -6.0366 -6.0029 -5.9180 -5.8416 -4.9810 -4.9603 -4.9304 -4.9048 -4.3777 -4.3720 -4.2263 -4.2243 -3.9671 -3.9038 2.5777 2.5789 3.2719 3.2815 3.3283 3.3331 3.7033 3.7117 4.9350 4.9360 5.1785 5.1789 5.2610 5.2630 5.9378 5.9628 5.9958 6.0019 6.1926 6.1940 6.6884 6.6971 7.5530 7.5556 13.0697 13.0781 13.3165 13.3179 13.4083 13.4140 13.5815 13.5871 k = 0.2745 0.2745-0.0000 ( 2848 PWs) bands (ev): -6.9758 -6.9699 -6.1087 -6.0925 -6.0310 -5.9917 -5.9182 -5.8396 -4.9793 -4.9599 -4.9302 -4.9047 -4.3654 -4.3601 -4.2152 -4.2141 -3.9603 -3.8987 2.5600 2.5614 3.2883 3.2950 3.3226 3.3274 3.7152 3.7265 5.0420 5.0427 5.1981 5.1985 5.2795 5.2816 5.8843 5.9093 5.9454 5.9514 6.1580 6.1594 6.7520 6.7606 7.5652 7.5677 12.9712 12.9792 13.1915 13.1929 13.2832 13.2893 13.4749 13.4799 k = 0.2647 0.2647-0.0000 ( 2840 PWs) bands (ev): -7.0134 -7.0084 -6.0994 -6.0823 -6.0254 -5.9815 -5.9176 -5.8376 -4.9775 -4.9594 -4.9299 -4.9047 -4.3522 -4.3473 -4.2039 -4.2034 -3.9545 -3.8946 2.5392 2.5407 3.2937 3.2978 3.3149 3.3198 3.7442 3.7581 5.1484 5.1485 5.2181 5.2187 5.2987 5.3010 5.8362 5.8608 5.8980 5.9040 6.1242 6.1255 6.8139 6.8224 7.5765 7.5790 12.8735 12.8812 13.0673 13.0686 13.1577 13.1640 13.3694 13.3739 k = 0.2549 0.2549-0.0000 ( 2848 PWs) bands (ev): -7.0506 -7.0463 -6.0901 -6.0721 -6.0199 -5.9725 -5.9158 -5.8355 -4.9758 -4.9589 -4.9298 -4.9050 -4.3381 -4.3338 -4.1925 -4.1924 -3.9498 -3.8916 2.5153 2.5169 3.2892 3.2911 3.3052 3.3101 3.7888 3.8049 5.2353 5.2359 5.2540 5.2543 5.3201 5.3226 5.7952 5.8189 5.8539 5.8598 6.0913 6.0925 6.8740 6.8824 7.5870 7.5893 12.7765 12.7840 12.9442 12.9454 13.0325 13.0388 13.2645 13.2685 k = 0.2451 0.2451-0.0000 ( 2848 PWs) bands (ev): -7.0871 -7.0835 -6.0808 -6.0621 -6.0144 -5.9650 -5.9126 -5.8334 -4.9740 -4.9583 -4.9298 -4.9053 -4.3233 -4.3194 -4.1812 -4.1807 -3.9459 -3.8896 2.4886 2.4904 3.2771 3.2775 3.2934 3.2982 3.8464 3.8639 5.2575 5.2577 5.3255 5.3264 5.3672 5.3678 5.7649 5.7866 5.8135 5.8193 6.0593 6.0605 6.9323 6.9405 7.5966 7.5989 12.6802 12.6876 12.8225 12.8237 12.9082 12.9143 13.1601 13.1636 k = 0.2353 0.2353-0.0000 ( 2842 PWs) bands (ev): -7.1230 -7.1199 -6.0716 -6.0523 -6.0089 -5.9593 -5.9077 -5.8313 -4.9722 -4.9575 -4.9298 -4.9056 -4.3077 -4.3044 -4.1697 -4.1689 -3.9428 -3.8884 2.4595 2.4613 3.2590 3.2596 3.2794 3.2842 3.9139 3.9323 5.2779 5.2781 5.3503 5.3525 5.4465 5.4525 5.7535 5.7706 5.7771 5.7828 6.0282 6.0293 6.9885 6.9967 7.6053 7.6076 12.5845 12.5919 12.7026 12.7037 12.7854 12.7912 13.0559 13.0590 k = 0.2255 0.2255-0.0000 ( 2852 PWs) bands (ev): -7.1580 -7.1554 -6.0625 -6.0428 -6.0035 -5.9553 -5.9013 -5.8292 -4.9705 -4.9567 -4.9299 -4.9062 -4.2915 -4.2888 -4.1581 -4.1569 -3.9405 -3.8880 2.4283 2.4301 3.2374 3.2387 3.2632 3.2680 3.9889 4.0078 5.2980 5.2982 5.3703 5.3728 5.5030 5.5166 5.7442 5.7493 5.7770 5.7859 5.9981 5.9992 7.0428 7.0509 7.6133 7.6154 12.4893 12.4968 12.5847 12.5856 12.6646 12.6698 12.9519 12.9545 k = 0.2157 0.2157-0.0000 ( 2853 PWs) bands (ev): -7.1921 -7.1899 -6.0535 -6.0335 -5.9982 -5.9527 -5.8937 -5.8270 -4.9688 -4.9558 -4.9300 -4.9068 -4.2748 -4.2727 -4.1462 -4.1449 -3.9388 -3.8884 2.3953 2.3971 3.2138 3.2156 3.2451 3.2498 4.0696 4.0889 5.3181 5.3182 5.3897 5.3923 5.5240 5.5442 5.7157 5.7209 5.8412 5.8432 5.9690 5.9700 7.0950 7.1030 7.6205 7.6226 12.3944 12.4023 12.4691 12.4699 12.5465 12.5509 12.8479 12.8502 k = 0.2059 0.2059-0.0000 ( 2839 PWs) bands (ev): -7.2252 -7.2233 -6.0446 -6.0245 -5.9930 -5.9510 -5.8854 -5.8247 -4.9671 -4.9548 -4.9301 -4.9074 -4.2575 -4.2561 -4.1344 -4.1329 -3.9376 -3.8893 2.3609 2.3626 3.1888 3.1910 3.2249 3.2296 4.1547 4.1742 5.3380 5.3381 5.4087 5.4114 5.5229 5.5460 5.6915 5.6964 5.9314 5.9327 5.9413 5.9421 7.1451 7.1529 7.6270 7.6290 12.2998 12.3082 12.3562 12.3569 12.4314 12.4347 12.7441 12.7460 k = 0.1961 0.1961-0.0000 ( 2839 PWs) bands (ev): -7.2572 -7.2557 -6.0360 -6.0159 -5.9880 -5.9499 -5.8768 -5.8225 -4.9656 -4.9537 -4.9303 -4.9082 -4.2399 -4.2392 -4.1225 -4.1209 -3.9369 -3.8908 2.3254 2.3270 3.1630 3.1654 3.2030 3.2075 4.2433 4.2627 5.3575 5.3577 5.4273 5.4300 5.5143 5.5380 5.6711 5.6758 5.9139 5.9148 6.0347 6.0377 7.1930 7.2007 7.6328 7.6347 12.2052 12.2146 12.2462 12.2466 12.3199 12.3218 12.6405 12.6421 k = 0.1863 0.1863-0.0000 ( 2849 PWs) bands (ev): -7.2881 -7.2868 -6.0276 -6.0077 -5.9831 -5.9492 -5.8683 -5.8202 -4.9641 -4.9527 -4.9305 -4.9092 -4.2222 -4.2221 -4.1107 -4.1091 -3.9365 -3.8928 2.2891 2.2907 3.1367 3.1392 3.1794 3.1838 4.3343 4.3537 5.3764 5.3770 5.4455 5.4480 5.5048 5.5279 5.6546 5.6590 5.8881 5.8889 6.1439 6.1476 7.2386 7.2460 7.6378 7.6396 12.1106 12.1212 12.1395 12.1396 12.2124 12.2127 12.5371 12.5384 k = 0.1765 0.1765-0.0000 ( 2855 PWs) bands (ev): -7.3177 -7.3167 -6.0194 -5.9999 -5.9783 -5.9487 -5.8598 -5.8179 -4.9627 -4.9515 -4.9308 -4.9102 -4.2050 -4.2041 -4.0991 -4.0974 -3.9362 -3.8951 2.2524 2.2538 3.1101 3.1127 3.1545 3.1586 4.4271 4.4464 5.3948 5.3958 5.4633 5.4646 5.4979 5.5189 5.6418 5.6460 5.8634 5.8642 6.2558 6.2599 7.2820 7.2893 7.6424 7.6441 12.0159 12.0278 12.0361 12.0364 12.1078 12.1092 12.4342 12.4352 k = 0.1667 0.1667-0.0000 ( 2843 PWs) bands (ev): -7.3461 -7.3452 -6.0116 -5.9927 -5.9737 -5.9482 -5.8516 -5.8155 -4.9612 -4.9503 -4.9310 -4.9112 -4.1878 -4.1861 -4.0878 -4.0860 -3.9361 -3.8975 2.2155 2.2169 3.0836 3.0863 3.1285 3.1325 4.5210 4.5401 5.4123 5.4142 5.4772 5.4802 5.4971 5.5125 5.6324 5.6363 5.8400 5.8407 6.3688 6.3731 7.3232 7.3303 7.6464 7.6481 11.9216 11.9336 11.9371 11.9375 12.0075 12.0104 12.3319 12.3326 k = 0.1569 0.1569-0.0000 ( 2863 PWs) bands (ev): -7.3731 -7.3724 -6.0041 -5.9860 -5.9694 -5.9478 -5.8438 -5.8132 -4.9599 -4.9492 -4.9313 -4.9123 -4.1708 -4.1682 -4.0769 -4.0749 -3.9359 -3.9002 2.1789 2.1801 3.0573 3.0599 3.1017 3.1055 4.6152 4.6341 5.4287 5.4320 5.4817 5.4952 5.5071 5.5099 5.6261 5.6297 5.8178 5.8184 6.4816 6.4860 7.3620 7.3689 7.6498 7.6513 11.8285 11.8385 11.8418 11.8445 11.9116 11.9159 12.2304 12.2309 k = 0.1471 0.1471-0.0000 ( 2865 PWs) bands (ev): -7.3987 -7.3981 -5.9969 -5.9797 -5.9653 -5.9474 -5.8363 -5.8107 -4.9586 -4.9480 -4.9316 -4.9136 -4.1540 -4.1507 -4.0666 -4.0643 -3.9355 -3.9028 2.1427 2.1437 3.0314 3.0340 3.0745 3.0780 4.7094 4.7280 5.4437 5.4492 5.4846 5.5022 5.5173 5.5216 5.6225 5.6258 5.7969 5.7975 6.5935 6.5980 7.3986 7.4052 7.6527 7.6542 11.7377 11.7467 11.7502 11.7542 11.8201 11.8252 12.1300 12.1303 k = 0.1373 0.1373-0.0000 ( 2871 PWs) bands (ev): -7.4228 -7.4224 -5.9901 -5.9739 -5.9614 -5.9470 -5.8293 -5.8083 -4.9572 -4.9469 -4.9318 -4.9148 -4.1376 -4.1335 -4.0569 -4.0542 -3.9347 -3.9053 2.1072 2.1081 3.0062 3.0088 3.0472 3.0505 4.8025 4.8208 5.4566 5.4658 5.4902 5.5045 5.5313 5.5366 5.6214 5.6243 5.7773 5.7778 6.7037 6.7083 7.4327 7.4391 7.6552 7.6566 11.6503 11.6591 11.6627 11.6666 11.7323 11.7381 12.0310 12.0312 k = 0.1275 0.1275-0.0000 ( 2871 PWs) bands (ev): -7.4455 -7.4452 -5.9837 -5.9687 -5.9578 -5.9465 -5.8228 -5.8058 -4.9559 -4.9458 -4.9321 -4.9162 -4.1217 -4.1169 -4.0480 -4.0447 -3.9336 -3.9076 2.0728 2.0736 2.9819 2.9844 3.0201 3.0231 4.8940 4.9119 5.4673 5.4815 5.4992 5.5080 5.5457 5.5512 5.6222 5.6249 5.7591 5.7596 6.8118 6.8164 7.4645 7.4707 7.6573 7.6586 11.5670 11.5762 11.5795 11.5825 11.6483 11.6543 11.9339 11.9340 k = 0.1176 0.1176-0.0000 ( 2871 PWs) bands (ev): -7.4667 -7.4664 -5.9776 -5.9639 -5.9545 -5.9460 -5.8167 -5.8032 -4.9545 -4.9448 -4.9324 -4.9175 -4.1064 -4.1010 -4.0401 -4.0360 -3.9319 -3.9095 2.0397 2.0403 2.9587 2.9610 2.9935 2.9963 4.9832 5.0006 5.4768 5.4962 5.5104 5.5134 5.5593 5.5650 5.6246 5.6270 5.7423 5.7428 6.9171 6.9217 7.4940 7.4998 7.6591 7.6603 11.4883 11.4981 11.5011 11.5027 11.5678 11.5740 11.8391 11.8391 k = 0.1078 0.1078-0.0000 ( 2867 PWs) bands (ev): -7.4862 -7.4861 -5.9720 -5.9596 -5.9515 -5.9455 -5.8112 -5.8008 -4.9531 -4.9438 -4.9327 -4.9190 -4.0919 -4.0860 -4.0332 -4.0282 -3.9296 -3.9109 2.0081 2.0086 2.9367 2.9389 2.9678 2.9704 5.0693 5.0862 5.4861 5.5096 5.5208 5.5226 5.5723 5.5779 5.6281 5.6304 5.7271 5.7275 7.0189 7.0234 7.5211 7.5266 7.6605 7.6617 11.4145 11.4252 11.4278 11.4278 11.4910 11.4972 11.7471 11.7472 k = 0.0980 0.0980-0.0000 ( 2867 PWs) bands (ev): -7.5042 -7.5041 -5.9668 -5.9557 -5.9489 -5.9449 -5.8062 -5.7983 -4.9517 -4.9428 -4.9330 -4.9204 -4.0782 -4.0719 -4.0273 -4.0214 -3.9267 -3.9116 1.9783 1.9787 2.9161 2.9182 2.9432 2.9456 5.1514 5.1678 5.4956 5.5210 5.5304 5.5348 5.5842 5.5899 5.6325 5.6345 5.7134 5.7138 7.1165 7.1208 7.5458 7.5509 7.6617 7.6628 11.3461 11.3575 11.3583 11.3599 11.4181 11.4244 11.6585 11.6586 k = 0.0882 0.0882-0.0000 ( 2875 PWs) bands (ev): -7.5206 -7.5205 -5.9621 -5.9523 -5.9466 -5.9443 -5.8017 -5.7960 -4.9503 -4.9420 -4.9333 -4.9219 -4.0655 -4.0590 -4.0224 -4.0157 -3.9233 -3.9117 1.9505 1.9508 2.8971 2.8990 2.9201 2.9222 5.2288 5.2447 5.5054 5.5308 5.5412 5.5463 5.5953 5.6009 5.6373 5.6391 5.7014 5.7017 7.2088 7.2129 7.5680 7.5729 7.6626 7.6637 11.2835 11.2943 11.2959 11.2978 11.3497 11.3558 11.5740 11.5742 k = 0.0784 0.0784-0.0000 ( 2879 PWs) bands (ev): -7.5353 -7.5352 -5.9578 -5.9493 -5.9446 -5.9437 -5.7978 -5.7937 -4.9488 -4.9411 -4.9336 -4.9235 -4.0538 -4.0473 -4.0185 -4.0112 -3.9196 -3.9111 1.9250 1.9253 2.8797 2.8815 2.8988 2.9006 5.3005 5.3160 5.5153 5.5399 5.5520 5.5570 5.6055 5.6108 5.6423 5.6440 5.6911 5.6914 7.2953 7.2992 7.5878 7.5923 7.6633 7.6644 11.2270 11.2367 11.2398 11.2415 11.2861 11.2919 11.4945 11.4946 k = 0.0686 0.0686-0.0000 ( 2879 PWs) bands (ev): -7.5483 -7.5483 -5.9540 -5.9467 -5.9430 -5.9430 -5.7943 -5.7916 -4.9473 -4.9404 -4.9339 -4.9251 -4.0432 -4.0369 -4.0153 -4.0078 -3.9156 -3.9098 1.9020 1.9021 2.8642 2.8658 2.8793 2.8810 5.3656 5.3806 5.5254 5.5487 5.5619 5.5665 5.6149 5.6199 5.6472 5.6487 5.6827 5.6829 7.3750 7.3787 7.6053 7.6094 7.6640 7.6650 11.1771 11.1856 11.1898 11.1913 11.2280 11.2335 11.4207 11.4208 k = 0.0588 0.0588-0.0000 ( 2875 PWs) bands (ev): -7.5597 -7.5596 -5.9505 -5.9445 -5.9424 -5.9417 -5.7913 -5.7896 -4.9458 -4.9397 -4.9342 -4.9266 -4.0338 -4.0280 -4.0128 -4.0054 -3.9117 -3.9080 1.8816 1.8817 2.8506 2.8519 2.8621 2.8635 5.4230 5.4374 5.5353 5.5571 5.5707 5.5747 5.6236 5.6280 5.6518 5.6531 5.6761 5.6763 7.4470 7.4503 7.6204 7.6241 7.6646 7.6655 11.1339 11.1413 11.1461 11.1475 11.1760 11.1809 11.3535 11.3535 k = 0.0490 0.0490-0.0000 ( 2877 PWs) bands (ev): -7.5693 -7.5693 -5.9476 -5.9427 -5.9418 -5.9407 -5.7889 -5.7879 -4.9443 -4.9390 -4.9345 -4.9282 -4.0257 -4.0204 -4.0108 -4.0039 -3.9081 -3.9059 1.8640 1.8641 2.8390 2.8401 2.8472 2.8483 5.4713 5.4850 5.5453 5.5648 5.5783 5.5814 5.6320 5.6357 5.6559 5.6570 5.6714 5.6715 7.5100 7.5129 7.6331 7.6363 7.6652 7.6661 11.0977 11.1039 11.1088 11.1101 11.1307 11.1349 11.2938 11.2938 k = 0.0392 0.0392-0.0000 ( 2873 PWs) bands (ev): -7.5772 -7.5771 -5.9451 -5.9413 -5.9412 -5.9400 -5.7869 -5.7864 -4.9427 -4.9384 -4.9348 -4.9299 -4.0188 -4.0144 -4.0091 -4.0032 -3.9049 -3.9038 1.8495 1.8495 2.8294 2.8303 2.8348 2.8357 5.5090 5.5208 5.5566 5.5723 5.5846 5.5867 5.6405 5.6431 5.6593 5.6603 5.6684 5.6685 7.5632 7.5657 7.6434 7.6461 7.6661 7.6668 11.0686 11.0735 11.0782 11.0794 11.0929 11.0962 11.2427 11.2427 k = 0.0294 0.0294-0.0000 ( 2881 PWs) bands (ev): -7.5833 -7.5833 -5.9431 -5.9406 -5.9403 -5.9395 -5.7854 -5.7852 -4.9412 -4.9379 -4.9352 -4.9315 -4.0133 -4.0098 -4.0077 -4.0031 -3.9022 -3.9018 1.8380 1.8380 2.8219 2.8226 2.8250 2.8257 5.5348 5.5416 5.5711 5.5799 5.5895 5.5906 5.6491 5.6507 5.6620 5.6628 5.6667 5.6667 7.6053 7.6072 7.6515 7.6536 7.6672 7.6679 11.0464 11.0497 11.0546 11.0555 11.0631 11.0653 11.2012 11.2012 k = 0.0196 0.0196-0.0000 ( 2881 PWs) bands (ev): -7.5877 -7.5877 -5.9415 -5.9402 -5.9398 -5.9393 -5.7844 -5.7843 -4.9396 -4.9373 -4.9356 -4.9331 -4.0092 -4.0067 -4.0065 -4.0033 -3.9003 -3.9002 1.8297 1.8297 2.8166 2.8170 2.8180 2.8184 5.5492 5.5512 5.5850 5.5877 5.5931 5.5934 5.6573 5.6580 5.6640 5.6646 5.6660 5.6660 7.6345 7.6356 7.6585 7.6597 7.6688 7.6692 11.0308 11.0323 11.0381 11.0385 11.0419 11.0429 11.1704 11.1704 k = 0.0098 0.0098-0.0000 ( 2897 PWs) bands (ev): -7.5903 -7.5903 -5.9404 -5.9399 -5.9396 -5.9393 -5.7838 -5.7838 -4.9381 -4.9369 -4.9360 -4.9348 -4.0064 -4.0055 -4.0051 -4.0039 -3.8991 -3.8991 1.8247 1.8247 2.8134 2.8136 2.8138 2.8140 5.5554 5.5556 5.5932 5.5936 5.5951 5.5951 5.6633 5.6636 5.6652 5.6655 5.6657 5.6658 7.6485 7.6487 7.6666 7.6668 7.6702 7.6703 11.0212 11.0214 11.0284 11.0285 11.0294 11.0295 11.1513 11.1513 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -7.5912 -7.5912 -5.9397 -5.9397 -5.9397 -5.9397 -5.7836 -5.7836 -4.9364 -4.9364 -4.9364 -4.9364 -4.0048 -4.0048 -4.0048 -4.0048 -3.8988 -3.8988 1.8230 1.8230 2.8124 2.8124 2.8124 2.8124 5.5571 5.5571 5.5958 5.5958 5.5958 5.5958 5.6656 5.6656 5.6658 5.6658 5.6658 5.6658 7.6515 7.6515 7.6708 7.6708 7.6708 7.6708 11.0178 11.0178 11.0253 11.0253 11.0253 11.0253 11.1448 11.1448 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -7.5912 -7.5912 -5.9397 -5.9397 -5.9397 -5.9397 -5.7836 -5.7836 -4.9364 -4.9364 -4.9364 -4.9364 -4.0048 -4.0048 -4.0048 -4.0048 -3.8988 -3.8988 1.8230 1.8230 2.8124 2.8124 2.8124 2.8124 5.5571 5.5571 5.5958 5.5958 5.5958 5.5958 5.6656 5.6656 5.6658 5.6658 5.6658 5.6658 7.6515 7.6515 7.6708 7.6708 7.6708 7.6708 11.0178 11.0178 11.0253 11.0253 11.0253 11.0253 11.1448 11.1448 k = 0.0081 0.0081 0.0081 ( 2897 PWs) bands (ev): -7.5903 -7.5903 -5.9404 -5.9397 -5.9397 -5.9393 -5.7838 -5.7838 -4.9381 -4.9365 -4.9365 -4.9347 -4.0063 -4.0054 -4.0054 -4.0039 -3.8991 -3.8991 1.8247 1.8247 2.8135 2.8137 2.8137 2.8139 5.5555 5.5555 5.5933 5.5933 5.5952 5.5952 5.6640 5.6640 5.6640 5.6644 5.6664 5.6664 7.6484 7.6484 7.6666 7.6666 7.6703 7.6705 11.0214 11.0214 11.0288 11.0288 11.0291 11.0292 11.1514 11.1514 k = 0.0161 0.0161 0.0161 ( 2885 PWs) bands (ev): -7.5876 -7.5876 -5.9416 -5.9399 -5.9399 -5.9394 -5.7843 -5.7843 -4.9398 -4.9365 -4.9365 -4.9330 -4.0084 -4.0069 -4.0069 -4.0036 -3.9003 -3.9003 1.8298 1.8298 2.8172 2.8176 2.8176 2.8180 5.5500 5.5500 5.5864 5.5864 5.5928 5.5928 5.6596 5.6596 5.6597 5.6604 5.6684 5.6684 7.6336 7.6336 7.6599 7.6599 7.6691 7.6694 11.0323 11.0323 11.0398 11.0398 11.0408 11.0408 11.1708 11.1708 k = 0.0242 0.0242 0.0242 ( 2885 PWs) bands (ev): -7.5832 -7.5832 -5.9432 -5.9404 -5.9404 -5.9399 -5.7853 -5.7853 -4.9414 -4.9365 -4.9365 -4.9313 -4.0111 -4.0095 -4.0095 -4.0039 -3.9022 -3.9022 1.8382 1.8382 2.8234 2.8239 2.8239 2.8245 5.5384 5.5384 5.5758 5.5758 5.5867 5.5869 5.6538 5.6538 5.6548 5.6557 5.6718 5.6718 7.6022 7.6022 7.6559 7.6559 7.6671 7.6675 11.0502 11.0502 11.0583 11.0583 11.0600 11.0601 11.2021 11.2021 k = 0.0323 0.0323 0.0323 ( 2879 PWs) bands (ev): -7.5769 -7.5769 -5.9451 -5.9409 -5.9409 -5.9407 -5.7867 -5.7867 -4.9430 -4.9366 -4.9366 -4.9296 -4.0143 -4.0131 -4.0131 -4.0048 -3.9048 -3.9048 1.8498 1.8498 2.8320 2.8328 2.8328 2.8335 5.5192 5.5192 5.5615 5.5615 5.5742 5.5750 5.6491 5.6491 5.6524 5.6531 5.6765 5.6765 7.5570 7.5570 7.6525 7.6525 7.6643 7.6648 11.0752 11.0752 11.0845 11.0845 11.0867 11.0868 11.2443 11.2443 k = 0.0403 0.0403 0.0403 ( 2873 PWs) bands (ev): -7.5689 -7.5689 -5.9475 -5.9420 -5.9417 -5.9417 -5.7884 -5.7884 -4.9446 -4.9368 -4.9368 -4.9279 -4.0180 -4.0177 -4.0177 -4.0063 -3.9081 -3.9081 1.8646 1.8646 2.8430 2.8439 2.8439 2.8449 5.4923 5.4923 5.5419 5.5419 5.5541 5.5555 5.6476 5.6476 5.6539 5.6542 5.6825 5.6825 7.4998 7.4998 7.6487 7.6487 7.6608 7.6614 11.1072 11.1072 11.1181 11.1181 11.1206 11.1208 11.2962 11.2962 k = 0.0484 0.0484 0.0484 ( 2873 PWs) bands (ev): -7.5592 -7.5592 -5.9502 -5.9438 -5.9426 -5.9426 -5.7906 -5.7906 -4.9461 -4.9370 -4.9370 -4.9262 -4.0233 -4.0233 -4.0223 -4.0083 -3.9120 -3.9120 1.8824 1.8824 2.8562 2.8573 2.8573 2.8584 5.4588 5.4588 5.5161 5.5161 5.5271 5.5291 5.6501 5.6501 5.6590 5.6591 5.6898 5.6898 7.4318 7.4318 7.6442 7.6442 7.6564 7.6572 11.1461 11.1461 11.1588 11.1588 11.1615 11.1617 11.3566 11.3566 k = 0.0565 0.0565 0.0565 ( 2870 PWs) bands (ev): -7.5477 -7.5477 -5.9534 -5.9459 -5.9437 -5.9437 -5.7930 -5.7930 -4.9476 -4.9372 -4.9372 -4.9246 -4.0299 -4.0299 -4.0271 -4.0108 -3.9165 -3.9165 1.9030 1.9030 2.8714 2.8728 2.8728 2.8740 5.4198 5.4198 5.4845 5.4845 5.4943 5.4969 5.6562 5.6562 5.6670 5.6672 5.6984 5.6984 7.3542 7.3542 7.6391 7.6391 7.6514 7.6522 11.1916 11.1916 11.2062 11.2062 11.2089 11.2092 11.4246 11.4246 k = 0.0645 0.0645 0.0645 ( 2858 PWs) bands (ev): -7.5345 -7.5345 -5.9568 -5.9485 -5.9449 -5.9449 -5.7958 -5.7958 -4.9490 -4.9374 -4.9374 -4.9230 -4.0374 -4.0374 -4.0323 -4.0138 -3.9215 -3.9215 1.9261 1.9261 2.8886 2.8901 2.8901 2.8915 5.3761 5.3761 5.4480 5.4480 5.4568 5.4599 5.6653 5.6653 5.6774 5.6778 5.7083 5.7083 7.2679 7.2679 7.6332 7.6332 7.6455 7.6465 11.2433 11.2433 11.2599 11.2599 11.2627 11.2631 11.4989 11.4989 k = 0.0726 0.0726 0.0726 ( 2855 PWs) bands (ev): -7.5195 -7.5195 -5.9607 -5.9514 -5.9463 -5.9463 -5.7990 -5.7990 -4.9504 -4.9377 -4.9377 -4.9214 -4.0459 -4.0459 -4.0380 -4.0174 -3.9270 -3.9270 1.9516 1.9516 2.9073 2.9090 2.9090 2.9106 5.3284 5.3284 5.4076 5.4076 5.4157 5.4193 5.6768 5.6768 5.6898 5.6903 5.7195 5.7195 7.1739 7.1739 7.6266 7.6266 7.6389 7.6400 11.3007 11.3007 11.3195 11.3195 11.3223 11.3228 11.5786 11.5786 k = 0.0806 0.0806 0.0806 ( 2854 PWs) bands (ev): -7.5029 -7.5029 -5.9649 -5.9548 -5.9479 -5.9479 -5.8024 -5.8024 -4.9517 -4.9380 -4.9380 -4.9198 -4.0553 -4.0553 -4.0441 -4.0214 -3.9328 -3.9328 1.9791 1.9791 2.9274 2.9292 2.9292 2.9310 5.2777 5.2777 5.3641 5.3641 5.3717 5.3757 5.6903 5.6903 5.7040 5.7047 5.7319 5.7319 7.0732 7.0732 7.6192 7.6192 7.6315 7.6328 11.3633 11.3633 11.3846 11.3846 11.3874 11.3880 11.6630 11.6630 k = 0.0887 0.0887 0.0887 ( 2860 PWs) bands (ev): -7.4847 -7.4847 -5.9695 -5.9586 -5.9497 -5.9497 -5.8062 -5.8062 -4.9530 -4.9384 -4.9384 -4.9184 -4.0655 -4.0655 -4.0505 -4.0258 -3.9390 -3.9390 2.0084 2.0084 2.9485 2.9504 2.9504 2.9524 5.2246 5.2246 5.3185 5.3185 5.3257 5.3300 5.7058 5.7058 5.7199 5.7207 5.7455 5.7455 6.9666 6.9666 7.6111 7.6111 7.6234 7.6248 11.4306 11.4306 11.4549 11.4549 11.4576 11.4583 11.7510 11.7510 k = 0.0968 0.0968 0.0968 ( 2854 PWs) bands (ev): -7.4648 -7.4648 -5.9745 -5.9628 -5.9517 -5.9517 -5.8102 -5.8102 -4.9541 -4.9387 -4.9387 -4.9169 -4.0764 -4.0764 -4.0573 -4.0306 -3.9455 -3.9455 2.0389 2.0389 2.9702 2.9722 2.9722 2.9744 5.1700 5.1700 5.2716 5.2716 5.2784 5.2831 5.7230 5.7230 5.7374 5.7384 5.7604 5.7604 6.8551 6.8551 7.6024 7.6024 7.6146 7.6161 11.5020 11.5020 11.5298 11.5298 11.5326 11.5335 11.8422 11.8422 k = 0.1048 0.1048 0.1048 ( 2854 PWs) bands (ev): -7.4434 -7.4434 -5.9797 -5.9674 -5.9538 -5.9538 -5.8144 -5.8144 -4.9552 -4.9391 -4.9391 -4.9155 -4.0880 -4.0880 -4.0643 -4.0357 -3.9522 -3.9522 2.0703 2.0703 2.9920 2.9942 2.9942 2.9965 5.1147 5.1147 5.2243 5.2243 5.2307 5.2358 5.7418 5.7418 5.7565 5.7576 5.7765 5.7765 6.7389 6.7389 7.5929 7.5929 7.6052 7.6068 11.5772 11.5772 11.6092 11.6092 11.6120 11.6130 11.9355 11.9355 k = 0.1129 0.1129 0.1129 ( 2854 PWs) bands (ev): -7.4204 -7.4204 -5.9852 -5.9723 -5.9561 -5.9561 -5.8187 -5.8187 -4.9563 -4.9396 -4.9396 -4.9142 -4.1003 -4.1003 -4.0715 -4.0412 -3.9591 -3.9591 2.1020 2.1020 3.0136 3.0157 3.0157 3.0183 5.0595 5.0595 5.1774 5.1774 5.1835 5.1888 5.7622 5.7622 5.7771 5.7782 5.7938 5.7938 6.6190 6.6190 7.5828 7.5828 7.5951 7.5969 11.6555 11.6555 11.6926 11.6926 11.6954 11.6966 12.0306 12.0306 k = 0.1210 0.1210 0.1210 ( 2848 PWs) bands (ev): -7.3959 -7.3959 -5.9911 -5.9776 -5.9586 -5.9586 -5.8232 -5.8232 -4.9572 -4.9401 -4.9401 -4.9129 -4.1131 -4.1131 -4.0789 -4.0469 -3.9661 -3.9661 2.1337 2.1337 3.0342 3.0364 3.0364 3.0392 5.0052 5.0052 5.1318 5.1318 5.1378 5.1433 5.7841 5.7841 5.7991 5.8004 5.8122 5.8122 6.4960 6.4960 7.5721 7.5721 7.5844 7.5863 11.7368 11.7368 11.7798 11.7798 11.7825 11.7839 12.1269 12.1269 k = 0.1290 0.1290 0.1290 ( 2854 PWs) bands (ev): -7.3700 -7.3700 -5.9972 -5.9832 -5.9614 -5.9614 -5.8279 -5.8279 -4.9581 -4.9406 -4.9406 -4.9117 -4.1264 -4.1264 -4.0865 -4.0529 -3.9733 -3.9733 2.1645 2.1645 3.0533 3.0554 3.0554 3.0584 4.9526 4.9526 5.0885 5.0885 5.0942 5.0999 5.8074 5.8074 5.8225 5.8238 5.8317 5.8317 6.3704 6.3704 7.5608 7.5608 7.5731 7.5751 11.8205 11.8205 11.8703 11.8703 11.8731 11.8746 12.2238 12.2238 k = 0.1371 0.1371 0.1371 ( 2854 PWs) bands (ev): -7.3426 -7.3426 -6.0036 -5.9891 -5.9644 -5.9644 -5.8325 -5.8325 -4.9589 -4.9411 -4.9411 -4.9106 -4.1401 -4.1401 -4.0942 -4.0590 -3.9805 -3.9805 2.1940 2.1940 3.0701 3.0722 3.0722 3.0754 4.9025 4.9025 5.0485 5.0485 5.0540 5.0598 5.8321 5.8321 5.8472 5.8487 5.8524 5.8524 6.2428 6.2428 7.5490 7.5490 7.5613 7.5634 11.9065 11.9065 11.9641 11.9641 11.9668 11.9685 12.3210 12.3210 k = 0.1452 0.1452 0.1452 ( 2848 PWs) bands (ev): -7.3139 -7.3139 -6.0102 -5.9954 -5.9675 -5.9675 -5.8371 -5.8371 -4.9596 -4.9416 -4.9416 -4.9095 -4.1540 -4.1540 -4.1019 -4.0653 -3.9877 -3.9877 2.2214 2.2214 3.0841 3.0859 3.0859 3.0894 4.8558 4.8558 5.0128 5.0128 5.0180 5.0240 5.8580 5.8580 5.8732 5.8740 5.8740 5.8748 6.1136 6.1136 7.5366 7.5366 7.5490 7.5512 11.9943 11.9943 12.0607 12.0607 12.0634 12.0652 12.4180 12.4180 k = 0.1532 0.1532 0.1532 ( 2848 PWs) bands (ev): -7.2840 -7.2840 -6.0171 -6.0020 -5.9710 -5.9710 -5.8417 -5.8417 -4.9602 -4.9422 -4.9422 -4.9086 -4.1681 -4.1681 -4.1096 -4.0718 -3.9949 -3.9949 2.2461 2.2461 3.0942 3.0959 3.0959 3.0996 4.8130 4.8130 4.9823 4.9823 4.9872 4.9932 5.8852 5.8852 5.8968 5.8968 5.9005 5.9021 5.9836 5.9836 7.5238 7.5238 7.5362 7.5385 12.0838 12.0838 12.1600 12.1600 12.1626 12.1647 12.5146 12.5146 k = 0.1613 0.1613 0.1613 ( 2848 PWs) bands (ev): -7.2528 -7.2528 -6.0242 -6.0089 -5.9747 -5.9747 -5.8462 -5.8462 -4.9607 -4.9428 -4.9428 -4.9077 -4.1823 -4.1823 -4.1173 -4.0783 -4.0020 -4.0020 2.2673 2.2673 3.1000 3.1013 3.1013 3.1054 4.7747 4.7747 4.9579 4.9579 4.9626 4.9686 5.8532 5.8532 5.9138 5.9138 5.9204 5.9204 5.9289 5.9306 7.5106 7.5106 7.5230 7.5254 12.1747 12.1747 12.2618 12.2618 12.2643 12.2665 12.6103 12.6103 k = 0.1694 0.1694 0.1694 ( 2848 PWs) bands (ev): -7.2204 -7.2204 -6.0315 -6.0160 -5.9787 -5.9787 -5.8504 -5.8504 -4.9611 -4.9434 -4.9434 -4.9069 -4.1966 -4.1966 -4.1249 -4.0849 -4.0091 -4.0091 2.2843 2.2843 3.1006 3.1015 3.1015 3.1059 4.7414 4.7414 4.9404 4.9404 4.9449 4.9508 5.7235 5.7235 5.9433 5.9433 5.9451 5.9451 5.9585 5.9602 7.4971 7.4971 7.5095 7.5120 12.2669 12.2669 12.3657 12.3657 12.3681 12.3706 12.7050 12.7050 k = 0.1774 0.1774 0.1774 ( 2848 PWs) bands (ev): -7.1870 -7.1870 -6.0390 -6.0234 -5.9831 -5.9831 -5.8544 -5.8544 -4.9615 -4.9441 -4.9441 -4.9061 -4.2107 -4.2107 -4.1325 -4.0915 -4.0161 -4.0161 2.2965 2.2965 3.0957 3.0961 3.0961 3.1008 4.7128 4.7128 4.9306 4.9306 4.9349 4.9405 5.5953 5.5953 5.9706 5.9706 5.9740 5.9740 5.9891 5.9909 7.4832 7.4832 7.4957 7.4983 12.3601 12.3601 12.4718 12.4718 12.4741 12.4767 12.7983 12.7983 k = 0.1855 0.1855 0.1855 ( 2848 PWs) bands (ev): -7.1527 -7.1527 -6.0467 -6.0309 -5.9877 -5.9877 -5.8580 -5.8580 -4.9617 -4.9447 -4.9447 -4.9055 -4.2247 -4.2247 -4.1398 -4.0981 -4.0229 -4.0229 2.3034 2.3034 3.0847 3.0847 3.0848 3.0897 4.6884 4.6884 4.9289 4.9289 4.9329 4.9383 5.4704 5.4704 5.9970 5.9970 6.0057 6.0057 6.0208 6.0226 7.4690 7.4690 7.4816 7.4842 12.4541 12.4541 12.5798 12.5798 12.5820 12.5848 12.8902 12.8902 k = 0.1935 0.1935 0.1935 ( 2845 PWs) bands (ev): -7.1174 -7.1174 -6.0544 -6.0387 -5.9927 -5.9927 -5.8613 -5.8613 -4.9619 -4.9454 -4.9454 -4.9049 -4.2384 -4.2384 -4.1470 -4.1046 -4.0297 -4.0297 2.3046 2.3046 3.0671 3.0671 3.0679 3.0724 4.6663 4.6663 4.9355 4.9355 4.9393 4.9444 5.3512 5.3512 6.0242 6.0242 6.0384 6.0384 6.0534 6.0553 7.4546 7.4546 7.4673 7.4700 12.5488 12.5488 12.6895 12.6895 12.6917 12.6947 12.9805 12.9805 k = 0.2016 0.2016 0.2016 ( 2845 PWs) bands (ev): -7.0814 -7.0814 -6.0624 -6.0467 -5.9980 -5.9980 -5.8640 -5.8640 -4.9619 -4.9461 -4.9461 -4.9045 -4.2518 -4.2518 -4.1541 -4.1111 -4.0362 -4.0362 2.2999 2.2999 3.0435 3.0435 3.0449 3.0491 4.6428 4.6428 4.9503 4.9503 4.9539 4.9587 5.2420 5.2420 6.0521 6.0521 6.0719 6.0719 6.0869 6.0889 7.4401 7.4401 7.4528 7.4556 12.6438 12.6438 12.8009 12.8009 12.8030 12.8062 13.0690 13.0690 k = 0.2097 0.2097 0.2097 ( 2845 PWs) bands (ev): -7.0446 -7.0446 -6.0704 -6.0548 -6.0037 -6.0037 -5.8663 -5.8663 -4.9619 -4.9468 -4.9468 -4.9041 -4.2648 -4.2648 -4.1608 -4.1174 -4.0426 -4.0426 2.2891 2.2891 3.0141 3.0141 3.0161 3.0200 4.6116 4.6116 4.9731 4.9731 4.9767 4.9810 5.1495 5.1495 6.0808 6.0808 6.1063 6.1063 6.1212 6.1232 7.4254 7.4254 7.4382 7.4410 12.7390 12.7390 12.9138 12.9138 12.9158 12.9192 13.1558 13.1558 k = 0.2177 0.2177 0.2177 ( 2845 PWs) bands (ev): -7.0073 -7.0073 -6.0785 -6.0631 -6.0097 -6.0097 -5.8680 -5.8680 -4.9618 -4.9475 -4.9475 -4.9039 -4.2773 -4.2773 -4.1674 -4.1237 -4.0487 -4.0487 2.2724 2.2724 2.9794 2.9794 2.9821 2.9856 4.5642 4.5642 5.0033 5.0033 5.0072 5.0111 5.0825 5.0825 6.1101 6.1101 6.1415 6.1415 6.1563 6.1583 7.4106 7.4106 7.4235 7.4264 12.8341 12.8341 13.0281 13.0281 13.0300 13.0335 13.2409 13.2409 k = 0.2258 0.2258 0.2258 ( 2836 PWs) bands (ev): -6.9696 -6.9696 -6.0867 -6.0715 -6.0159 -6.0159 -5.8691 -5.8691 -4.9616 -4.9482 -4.9482 -4.9037 -4.2892 -4.2892 -4.1736 -4.1298 -4.0546 -4.0546 2.2501 2.2501 2.9400 2.9400 2.9433 2.9464 4.4946 4.4946 5.0348 5.0348 5.0448 5.0483 5.0525 5.0525 6.1399 6.1399 6.1773 6.1773 6.1921 6.1941 7.3959 7.3959 7.4088 7.4117 12.9286 12.9286 13.1437 13.1437 13.1455 13.1492 13.3244 13.3244 k = 0.2339 0.2339 0.2339 ( 2836 PWs) bands (ev): -6.9316 -6.9316 -6.0949 -6.0799 -6.0225 -6.0225 -5.8695 -5.8695 -4.9614 -4.9489 -4.9489 -4.9036 -4.3005 -4.3005 -4.1796 -4.1357 -4.0603 -4.0603 2.2226 2.2226 2.8965 2.8965 2.9003 2.9030 4.4036 4.4036 5.0376 5.0376 5.0880 5.0880 5.0890 5.0921 6.1703 6.1703 6.2137 6.2137 6.2284 6.2305 7.3810 7.3810 7.3941 7.3971 13.0220 13.0220 13.2604 13.2604 13.2621 13.2660 13.4065 13.4065 k = 0.2419 0.2419 0.2419 ( 2842 PWs) bands (ev): -6.8934 -6.8934 -6.1032 -6.0885 -6.0293 -6.0293 -5.8693 -5.8693 -4.9611 -4.9496 -4.9496 -4.9036 -4.3111 -4.3111 -4.1852 -4.1415 -4.0658 -4.0658 2.1903 2.1903 2.8494 2.8494 2.8539 2.8562 4.2971 4.2971 5.0558 5.0558 5.1376 5.1376 5.1391 5.1418 6.2011 6.2011 6.2507 6.2507 6.2653 6.2673 7.3663 7.3663 7.3794 7.3824 13.1138 13.1138 13.3781 13.3781 13.3798 13.3838 13.4876 13.4876 k = 0.2500 0.2500 0.2500 ( 2848 PWs) bands (ev): -6.8553 -6.8553 -6.1115 -6.0970 -6.0364 -6.0364 -5.8684 -5.8684 -4.9607 -4.9502 -4.9502 -4.9037 -4.3209 -4.3209 -4.1905 -4.1470 -4.0710 -4.0710 2.1539 2.1539 2.7996 2.7996 2.8045 2.8065 4.1811 4.1811 5.0911 5.0911 5.1930 5.1930 5.1945 5.1968 6.2323 6.2323 6.2881 6.2881 6.3025 6.3046 7.3516 7.3516 7.3648 7.3678 13.2031 13.2031 13.4967 13.4967 13.4984 13.5025 13.5680 13.5680 k = 0.2581 0.2581 0.2581 ( 2842 PWs) bands (ev): -6.8172 -6.8172 -6.1197 -6.1056 -6.0436 -6.0436 -5.8668 -5.8668 -4.9602 -4.9508 -4.9508 -4.9039 -4.3298 -4.3298 -4.1955 -4.1524 -4.0759 -4.0759 2.1139 2.1139 2.7475 2.7475 2.7529 2.7546 4.0599 4.0599 5.1392 5.1392 5.2530 5.2530 5.2545 5.2565 6.2639 6.2639 6.3258 6.3258 6.3402 6.3422 7.3370 7.3370 7.3503 7.3534 13.2890 13.2890 13.6160 13.6160 13.6177 13.6219 13.6485 13.6485 k = 0.2661 0.2661 0.2661 ( 2833 PWs) bands (ev): -6.7795 -6.7795 -6.1279 -6.1141 -6.0509 -6.0509 -5.8644 -5.8644 -4.9597 -4.9513 -4.9513 -4.9041 -4.3377 -4.3377 -4.2002 -4.1575 -4.0806 -4.0806 2.0709 2.0709 2.6939 2.6939 2.6997 2.7011 3.9358 3.9358 5.1970 5.1970 5.3171 5.3171 5.3185 5.3202 6.2956 6.2956 6.3638 6.3638 6.3781 6.3801 7.3226 7.3226 7.3361 7.3392 13.3706 13.3706 13.7290 13.7290 13.7365 13.7365 13.7376 13.7419 k = 0.2742 0.2742 0.2742 ( 2833 PWs) bands (ev): -6.7422 -6.7422 -6.1360 -6.1227 -6.0584 -6.0584 -5.8613 -5.8613 -4.9591 -4.9518 -4.9518 -4.9044 -4.3448 -4.3448 -4.2045 -4.1625 -4.0850 -4.0850 2.0255 2.0255 2.6390 2.6390 2.6452 2.6463 3.8107 3.8107 5.2627 5.2627 5.3847 5.3847 5.3860 5.3873 6.3276 6.3276 6.4020 6.4020 6.4161 6.4181 7.3085 7.3085 7.3220 7.3252 13.4468 13.4468 13.8116 13.8116 13.8563 13.8563 13.8579 13.8622 k = 0.2823 0.2823 0.2823 ( 2842 PWs) bands (ev): -6.7056 -6.7056 -6.1441 -6.1312 -6.0659 -6.0659 -5.8574 -5.8574 -4.9584 -4.9522 -4.9522 -4.9049 -4.3508 -4.3508 -4.2085 -4.1672 -4.0891 -4.0891 1.9781 1.9781 2.5834 2.5834 2.5900 2.5909 3.6854 3.6854 5.3345 5.3345 5.4551 5.4551 5.4563 5.4573 6.3596 6.3596 6.4402 6.4402 6.4542 6.4562 7.2946 7.2946 7.3083 7.3114 13.5167 13.5167 13.8953 13.8953 13.9765 13.9765 13.9782 13.9826 k = 0.2903 0.2903 0.2903 ( 2836 PWs) bands (ev): -6.6698 -6.6698 -6.1520 -6.1395 -6.0734 -6.0734 -5.8528 -5.8528 -4.9577 -4.9525 -4.9525 -4.9053 -4.3556 -4.3556 -4.2122 -4.1716 -4.0929 -4.0929 1.9294 1.9294 2.5276 2.5276 2.5345 2.5351 3.5607 3.5607 5.4116 5.4116 5.5279 5.5279 5.5290 5.5298 6.3916 6.3916 6.4784 6.4784 6.4923 6.4942 7.2811 7.2811 7.2949 7.2980 13.5799 13.5799 13.9803 13.9803 14.0965 14.0965 14.0983 14.1027 k = 0.2984 0.2984 0.2984 ( 2836 PWs) bands (ev): -6.6351 -6.6351 -6.1599 -6.1478 -6.0808 -6.0808 -5.8475 -5.8475 -4.9570 -4.9527 -4.9527 -4.9059 -4.3594 -4.3594 -4.2155 -4.1759 -4.0964 -4.0964 1.8797 1.8797 2.4718 2.4718 2.4790 2.4795 3.4373 3.4373 5.4928 5.4928 5.6027 5.6027 5.6037 5.6043 6.4235 6.4235 6.5164 6.5164 6.5301 6.5320 7.2678 7.2678 7.2818 7.2849 13.6359 13.6359 14.0661 14.0661 14.2159 14.2159 14.2177 14.2220 k = 0.3065 0.3065 0.3065 ( 2842 PWs) bands (ev): -6.6014 -6.6014 -6.1676 -6.1560 -6.0882 -6.0882 -5.8414 -5.8414 -4.9562 -4.9527 -4.9527 -4.9065 -4.3619 -4.3619 -4.2185 -4.1799 -4.0997 -4.0997 1.8294 1.8294 2.4165 2.4165 2.4239 2.4242 3.3155 3.3155 5.5774 5.5774 5.6790 5.6790 5.6799 5.6802 6.4552 6.4552 6.5542 6.5542 6.5677 6.5695 7.2550 7.2550 7.2691 7.2722 13.6848 13.6848 14.1517 14.1517 14.3339 14.3339 14.3360 14.3402 k = 0.3145 0.3145 0.3145 ( 2848 PWs) bands (ev): -6.5691 -6.5691 -6.1751 -6.1640 -6.0955 -6.0955 -5.8347 -5.8347 -4.9554 -4.9527 -4.9527 -4.9072 -4.3632 -4.3632 -4.2212 -4.1837 -4.1027 -4.1027 1.7789 1.7789 2.3618 2.3618 2.3695 2.3696 3.1958 3.1958 5.6648 5.6648 5.7564 5.7564 5.7572 5.7573 6.4867 6.4867 6.5915 6.5915 6.6049 6.6066 7.2425 7.2425 7.2569 7.2599 13.7264 13.7264 14.2359 14.2359 14.4500 14.4500 14.4523 14.4563 k = 0.3226 0.3226 0.3226 ( 2848 PWs) bands (ev): -6.5383 -6.5383 -6.1825 -6.1718 -6.1026 -6.1026 -5.8273 -5.8273 -4.9545 -4.9525 -4.9525 -4.9080 -4.3633 -4.3633 -4.2235 -4.1872 -4.1053 -4.1053 1.7284 1.7284 2.3081 2.3081 2.3160 2.3160 3.0785 3.0785 5.7541 5.7541 5.8344 5.8344 5.8350 5.8351 6.5178 6.5178 6.6284 6.6284 6.6416 6.6432 7.2306 7.2306 7.2452 7.2482 13.7609 13.7609 14.3169 14.3169 14.5632 14.5632 14.5657 14.5695 k = 0.3306 0.3306 0.3306 ( 2845 PWs) bands (ev): -6.5090 -6.5090 -6.1896 -6.1795 -6.1095 -6.1095 -5.8194 -5.8194 -4.9536 -4.9521 -4.9521 -4.9087 -4.3621 -4.3621 -4.2256 -4.1905 -4.1077 -4.1077 1.6783 1.6783 2.2556 2.2556 2.2636 2.2636 2.9640 2.9640 5.8450 5.8450 5.9128 5.9128 5.9131 5.9134 6.5485 6.5485 6.6647 6.6647 6.6777 6.6791 7.2192 7.2192 7.2339 7.2369 13.7883 13.7883 14.3929 14.3929 14.6720 14.6720 14.6748 14.6783 k = 0.3387 0.3387 0.3387 ( 2851 PWs) bands (ev): -6.4814 -6.4814 -6.1966 -6.1869 -6.1161 -6.1161 -5.8109 -5.8109 -4.9527 -4.9516 -4.9516 -4.9096 -4.3597 -4.3597 -4.2274 -4.1936 -4.1098 -4.1098 1.6288 1.6288 2.2045 2.2045 2.2125 2.2127 2.8524 2.8524 5.9368 5.9368 5.9910 5.9912 5.9912 5.9916 6.5786 6.5786 6.7002 6.7002 6.7130 6.7143 7.2083 7.2083 7.2233 7.2262 13.8084 13.8084 14.4619 14.4619 14.7746 14.7746 14.7779 14.7810 k = 0.3468 0.3468 0.3468 ( 2854 PWs) bands (ev): -6.4556 -6.4556 -6.2033 -6.1941 -6.1225 -6.1225 -5.8021 -5.8021 -4.9517 -4.9509 -4.9509 -4.9105 -4.3560 -4.3560 -4.2289 -4.1965 -4.1116 -4.1116 1.5801 1.5801 2.1549 2.1549 2.1630 2.1632 2.7442 2.7442 6.0289 6.0289 6.0685 6.0692 6.0692 6.0693 6.6081 6.6081 6.7348 6.7348 6.7474 6.7486 7.1980 7.1980 7.2132 7.2161 13.8210 13.8210 14.5216 14.5216 14.8685 14.8685 14.8723 14.8748 k = 0.3548 0.3548 0.3548 ( 2860 PWs) bands (ev): -6.4316 -6.4316 -6.2097 -6.2010 -6.1286 -6.1286 -5.7930 -5.7930 -4.9507 -4.9500 -4.9500 -4.9114 -4.3512 -4.3512 -4.2301 -4.1992 -4.1131 -4.1131 1.5323 1.5323 2.1071 2.1071 2.1152 2.1155 2.6397 2.6397 6.1204 6.1204 6.1452 6.1461 6.1468 6.1468 6.6368 6.6368 6.7685 6.7685 6.7808 6.7818 7.1884 7.1884 7.2039 7.2066 13.8262 13.8262 14.5706 14.5706 14.9503 14.9503 14.9547 14.9564 k = 0.3629 0.3629 0.3629 ( 2854 PWs) bands (ev): -6.4094 -6.4094 -6.2159 -6.2077 -6.1343 -6.1343 -5.7838 -5.7838 -4.9497 -4.9490 -4.9490 -4.9124 -4.3452 -4.3452 -4.2311 -4.2017 -4.1143 -4.1143 1.4857 1.4857 2.0611 2.0611 2.0693 2.0697 2.5391 2.5391 6.2095 6.2095 6.2206 6.2217 6.2251 6.2251 6.6647 6.6647 6.8010 6.8010 6.8130 6.8138 7.1796 7.1796 7.1953 7.1980 13.8236 13.8236 14.6079 14.6079 15.0159 15.0159 15.0211 15.0219 k = 0.3710 0.3710 0.3710 ( 2854 PWs) bands (ev): -6.3891 -6.3891 -6.2218 -6.2141 -6.1397 -6.1397 -5.7745 -5.7745 -4.9487 -4.9479 -4.9479 -4.9133 -4.3381 -4.3381 -4.2319 -4.2041 -4.1152 -4.1152 1.4404 1.4404 2.0172 2.0172 2.0255 2.0258 2.4429 2.4429 6.2904 6.2904 6.2942 6.2955 6.3087 6.3087 6.6917 6.6917 6.8322 6.8322 6.8438 6.8444 7.1716 7.1716 7.1877 7.1903 13.8132 13.8132 14.6338 14.6338 15.0614 15.0614 15.0670 15.0672 k = 0.3790 0.3790 0.3790 ( 2866 PWs) bands (ev): -6.3707 -6.3707 -6.2274 -6.2202 -6.1446 -6.1446 -5.7653 -5.7653 -4.9477 -4.9466 -4.9466 -4.9144 -4.3301 -4.3301 -4.2325 -4.2062 -4.1158 -4.1158 1.3964 1.3964 1.9754 1.9754 1.9837 1.9841 2.3512 2.3512 6.3639 6.3639 6.3659 6.3673 6.3960 6.3960 6.7176 6.7176 6.8619 6.8619 6.8731 6.8734 7.1645 7.1645 7.1810 7.1834 13.7953 13.7953 14.6498 14.6498 15.0843 15.0843 15.0895 15.0906 k = 0.3871 0.3871 0.3871 ( 2869 PWs) bands (ev): -6.3540 -6.3540 -6.2327 -6.2260 -6.1490 -6.1490 -5.7563 -5.7563 -4.9466 -4.9453 -4.9453 -4.9154 -4.3214 -4.3214 -4.2329 -4.2083 -4.1161 -4.1161 1.3539 1.3539 1.9358 1.9358 1.9442 1.9446 2.2645 2.2645 6.4338 6.4338 6.4350 6.4367 6.4824 6.4824 6.7424 6.7424 6.8900 6.8900 6.9008 6.9008 7.1584 7.1584 7.1753 7.1776 13.7702 13.7702 14.6580 14.6580 15.0848 15.0848 15.0896 15.0914 k = 0.3952 0.3952 0.3952 ( 2860 PWs) bands (ev): -6.3392 -6.3392 -6.2377 -6.2315 -6.1530 -6.1530 -5.7477 -5.7477 -4.9455 -4.9438 -4.9438 -4.9165 -4.3120 -4.3120 -4.2331 -4.2101 -4.1161 -4.1161 1.3131 1.3131 1.8986 1.8986 1.9070 1.9074 2.1828 2.1828 6.5004 6.5004 6.5014 6.5032 6.5665 6.5665 6.7660 6.7660 6.9164 6.9164 6.9264 6.9267 7.1535 7.1535 7.1709 7.1730 13.7388 13.7388 14.6608 14.6608 15.0664 15.0664 15.0708 15.0731 k = 0.4032 0.4032 0.4032 ( 2860 PWs) bands (ev): -6.3260 -6.3260 -6.2423 -6.2366 -6.1564 -6.1564 -5.7395 -5.7395 -4.9444 -4.9424 -4.9424 -4.9175 -4.3022 -4.3022 -4.2331 -4.2118 -4.1157 -4.1157 1.2741 1.2741 1.8637 1.8637 1.8722 1.8727 2.1066 2.1066 6.5634 6.5634 6.5643 6.5664 6.6476 6.6476 6.7882 6.7882 6.9409 6.9409 6.9499 6.9506 7.1499 7.1499 7.1678 7.1697 13.7020 13.7020 14.6603 14.6603 15.0339 15.0339 15.0380 15.0405 k = 0.4113 0.4113 0.4113 ( 2878 PWs) bands (ev): -6.3147 -6.3147 -6.2466 -6.2414 -6.1593 -6.1593 -5.7319 -5.7319 -4.9434 -4.9409 -4.9409 -4.9187 -4.2923 -4.2923 -4.2331 -4.2135 -4.1151 -4.1151 1.2370 1.2370 1.8314 1.8314 1.8399 1.8404 2.0359 2.0359 6.6224 6.6224 6.6233 6.6256 6.7249 6.7249 6.8091 6.8091 6.9634 6.9634 6.9713 6.9724 7.1477 7.1477 7.1661 7.1678 13.6613 13.6613 14.6582 14.6582 14.9923 14.9923 14.9962 14.9987 k = 0.4194 0.4194 0.4194 ( 2884 PWs) bands (ev): -6.3048 -6.3048 -6.2505 -6.2458 -6.1617 -6.1617 -5.7248 -5.7248 -4.9423 -4.9395 -4.9395 -4.9198 -4.2823 -4.2823 -4.2328 -4.2150 -4.1141 -4.1141 1.2020 1.2020 1.8016 1.8016 1.8103 1.8107 1.9711 1.9711 6.6770 6.6770 6.6781 6.6806 6.7979 6.7979 6.8285 6.8285 6.9837 6.9837 6.9905 6.9920 7.1469 7.1469 7.1660 7.1673 13.6179 13.6179 14.6554 14.6554 14.9458 14.9458 14.9496 14.9520 k = 0.4274 0.4274 0.4274 ( 2878 PWs) bands (ev): -6.2964 -6.2964 -6.2541 -6.2498 -6.1635 -6.1635 -5.7184 -5.7184 -4.9412 -4.9381 -4.9381 -4.9209 -4.2727 -4.2727 -4.2325 -4.2164 -4.1128 -4.1128 1.1692 1.1692 1.7745 1.7745 1.7832 1.7836 1.9124 1.9124 6.7268 6.7268 6.7282 6.7309 6.8459 6.8459 6.8669 6.8669 7.0021 7.0021 7.0076 7.0095 7.1478 7.1478 7.1673 7.1684 13.5736 13.5736 14.6526 14.6526 14.8976 14.8976 14.9013 14.9036 k = 0.4355 0.4355 0.4355 ( 2866 PWs) bands (ev): -6.2894 -6.2894 -6.2572 -6.2534 -6.1648 -6.1648 -5.7126 -5.7126 -4.9400 -4.9367 -4.9367 -4.9220 -4.2635 -4.2635 -4.2320 -4.2177 -4.1111 -4.1111 1.1390 1.1390 1.7501 1.7501 1.7589 1.7593 1.8597 1.8597 6.7712 6.7712 6.7731 6.7759 6.8623 6.8623 6.9297 6.9297 7.0185 7.0185 7.0228 7.0251 7.1503 7.1503 7.1701 7.1709 13.5296 13.5296 14.6501 14.6501 14.8502 14.8502 14.8538 14.8559 k = 0.4435 0.4435 0.4435 ( 2860 PWs) bands (ev): -6.2836 -6.2836 -6.2600 -6.2567 -6.1657 -6.1657 -5.7076 -5.7076 -4.9389 -4.9354 -4.9354 -4.9231 -4.2551 -4.2551 -4.2315 -4.2189 -4.1093 -4.1093 1.1115 1.1115 1.7283 1.7283 1.7373 1.7376 1.8134 1.8134 6.8096 6.8096 6.8122 6.8151 6.8769 6.8769 6.9866 6.9866 7.0334 7.0334 7.0364 7.0389 7.1540 7.1540 7.1739 7.1745 13.4874 13.4874 14.6480 14.6480 14.8052 14.8052 14.8089 14.8107 k = 0.4516 0.4516 0.4516 ( 2857 PWs) bands (ev): -6.2790 -6.2790 -6.2624 -6.2596 -6.1661 -6.1661 -5.7032 -5.7032 -4.9378 -4.9343 -4.9343 -4.9242 -4.2476 -4.2476 -4.2309 -4.2201 -4.1073 -4.1073 1.0869 1.0869 1.7094 1.7094 1.7185 1.7188 1.7732 1.7732 6.8418 6.8418 6.8454 6.8482 6.8897 6.8897 7.0364 7.0364 7.0474 7.0474 7.0487 7.0513 7.1588 7.1588 7.1785 7.1788 13.4482 13.4482 14.6464 14.6464 14.7642 14.7642 14.7678 14.7695 k = 0.4597 0.4597 0.4597 ( 2851 PWs) bands (ev): -6.2754 -6.2754 -6.2644 -6.2621 -6.1663 -6.1663 -5.6995 -5.6995 -4.9366 -4.9333 -4.9333 -4.9253 -4.2411 -4.2411 -4.2302 -4.2212 -4.1052 -4.1052 1.0656 1.0656 1.6931 1.6931 1.7026 1.7028 1.7395 1.7395 6.8677 6.8677 6.8725 6.8751 6.9007 6.9007 7.0583 7.0583 7.0599 7.0624 7.0809 7.0809 7.1643 7.1643 7.1833 7.1835 13.4131 13.4131 14.6451 14.6451 14.7280 14.7280 14.7317 14.7330 k = 0.4677 0.4677 0.4677 ( 2857 PWs) bands (ev): -6.2727 -6.2727 -6.2660 -6.2642 -6.1663 -6.1663 -5.6966 -5.6966 -4.9355 -4.9325 -4.9325 -4.9265 -4.2357 -4.2357 -4.2295 -4.2223 -4.1033 -4.1033 1.0477 1.0477 1.6796 1.6796 1.6894 1.6896 1.7121 1.7121 6.8874 6.8874 6.8936 6.8958 6.9100 6.9100 7.0695 7.0695 7.0701 7.0723 7.1156 7.1156 7.1706 7.1706 7.1878 7.1880 13.3831 13.3831 14.6442 14.6442 14.6975 14.6975 14.7012 14.7023 k = 0.4758 0.4758 0.4758 ( 2872 PWs) bands (ev): -6.2708 -6.2708 -6.2673 -6.2659 -6.1662 -6.1662 -5.6943 -5.6943 -4.9345 -4.9319 -4.9319 -4.9277 -4.2316 -4.2316 -4.2287 -4.2233 -4.1016 -4.1016 1.0336 1.0336 1.6687 1.6687 1.6792 1.6794 1.6912 1.6912 6.9013 6.9013 6.9090 6.9107 6.9175 6.9175 7.0788 7.0788 7.0789 7.0807 7.1410 7.1410 7.1780 7.1780 7.1918 7.1919 13.3589 13.3589 14.6435 14.6435 14.6733 14.6733 14.6769 14.6778 k = 0.4839 0.4839 0.4839 ( 2872 PWs) bands (ev): -6.2694 -6.2694 -6.2681 -6.2671 -6.1661 -6.1661 -5.6927 -5.6927 -4.9333 -4.9314 -4.9314 -4.9288 -4.2286 -4.2286 -4.2279 -4.2243 -4.1003 -4.1003 1.0233 1.0233 1.6605 1.6605 1.6719 1.6720 1.6768 1.6768 6.9104 6.9104 6.9196 6.9208 6.9232 6.9232 7.0859 7.0861 7.0861 7.0871 7.1562 7.1562 7.1868 7.1868 7.1949 7.1950 13.3412 13.3412 14.6427 14.6427 14.6560 14.6560 14.6594 14.6599 k = 0.4919 0.4919 0.4919 ( 2872 PWs) bands (ev): -6.2687 -6.2687 -6.2684 -6.2680 -6.1660 -6.1660 -5.6917 -5.6917 -4.9322 -4.9312 -4.9312 -4.9299 -4.2271 -4.2268 -4.2268 -4.2253 -4.0994 -4.0994 1.0171 1.0171 1.6550 1.6550 1.6676 1.6676 1.6687 1.6687 6.9154 6.9154 6.9258 6.9264 6.9268 6.9268 7.0905 7.0907 7.0907 7.0911 7.1631 7.1631 7.1946 7.1946 7.1969 7.1969 13.3304 13.3304 14.6407 14.6407 14.6470 14.6470 14.6488 14.6491 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -6.2684 -6.2684 -6.2684 -6.2684 -6.1660 -6.1660 -5.6914 -5.6914 -4.9311 -4.9311 -4.9311 -4.9311 -4.2262 -4.2262 -4.2262 -4.2262 -4.0991 -4.0991 1.0150 1.0150 1.6530 1.6530 1.6661 1.6661 1.6661 1.6661 6.9170 6.9170 6.9280 6.9280 6.9280 6.9280 7.0922 7.0922 7.0922 7.0922 7.1650 7.1650 7.1975 7.1975 7.1975 7.1975 13.3267 13.3267 14.6388 14.6388 14.6453 14.6453 14.6453 14.6453 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -6.2684 -6.2684 -6.2684 -6.2684 -6.1660 -6.1660 -5.6914 -5.6914 -4.9311 -4.9311 -4.9311 -4.9311 -4.2262 -4.2262 -4.2262 -4.2262 -4.0991 -4.0991 1.0150 1.0150 1.6530 1.6530 1.6661 1.6661 1.6661 1.6661 6.9170 6.9170 6.9280 6.9280 6.9280 6.9280 7.0922 7.0922 7.0922 7.0922 7.1650 7.1650 7.1975 7.1975 7.1975 7.1975 13.3267 13.3267 14.6388 14.6388 14.6453 14.6453 14.6453 14.6453 k = 0.4902 0.5000 0.4902 ( 2872 PWs) bands (ev): -6.2687 -6.2686 -6.2685 -6.2680 -6.1660 -6.1660 -5.6917 -5.6917 -4.9322 -4.9314 -4.9309 -4.9300 -4.2271 -4.2270 -4.2265 -4.2254 -4.0994 -4.0994 1.0171 1.0171 1.6550 1.6550 1.6676 1.6677 1.6686 1.6686 6.9154 6.9154 6.9257 6.9262 6.9268 6.9271 7.0898 7.0902 7.0913 7.0917 7.1631 7.1632 7.1946 7.1947 7.1968 7.1968 13.3303 13.3303 14.6408 14.6409 14.6469 14.6469 14.6487 14.6490 k = 0.4804 0.5000 0.4804 ( 2872 PWs) bands (ev): -6.2695 -6.2691 -6.2682 -6.2673 -6.1662 -6.1660 -5.6926 -5.6926 -4.9333 -4.9320 -4.9308 -4.9289 -4.2290 -4.2279 -4.2278 -4.2246 -4.1004 -4.1002 1.0232 1.0232 1.6604 1.6604 1.6724 1.6726 1.6760 1.6760 6.9101 6.9102 6.9195 6.9205 6.9237 6.9242 7.0832 7.0839 7.0887 7.0895 7.1562 7.1568 7.1867 7.1875 7.1947 7.1947 13.3410 13.3410 14.6443 14.6446 14.6532 14.6533 14.6600 14.6605 k = 0.4706 0.5000 0.4706 ( 2868 PWs) bands (ev): -6.2709 -6.2699 -6.2675 -6.2663 -6.1665 -6.1660 -5.6942 -5.6942 -4.9344 -4.9327 -4.9310 -4.9278 -4.2323 -4.2299 -4.2288 -4.2240 -4.1019 -4.1013 1.0333 1.0334 1.6682 1.6684 1.6813 1.6816 1.6886 1.6888 6.8998 6.9001 6.9096 6.9111 6.9191 6.9196 7.0729 7.0740 7.0846 7.0857 7.1418 7.1434 7.1768 7.1790 7.1912 7.1913 13.3585 13.3586 14.6477 14.6482 14.6651 14.6653 14.6798 14.6804 k = 0.4608 0.5000 0.4608 ( 2860 PWs) bands (ev): -6.2729 -6.2710 -6.2664 -6.2651 -6.1670 -6.1658 -5.6965 -5.6964 -4.9355 -4.9334 -4.9314 -4.9268 -4.2369 -4.2327 -4.2297 -4.2236 -4.1041 -4.1026 1.0474 1.0474 1.6777 1.6779 1.6948 1.6954 1.7066 1.7071 6.8828 6.8834 6.8959 6.8981 6.9132 6.9138 7.0600 7.0612 7.0788 7.0801 7.1191 7.1214 7.1675 7.1711 7.1863 7.1866 13.3825 13.3827 14.6517 14.6523 14.6821 14.6822 14.7075 14.7083 k = 0.4510 0.5000 0.4510 ( 2852 PWs) bands (ev): -6.2757 -6.2723 -6.2651 -6.2637 -6.1676 -6.1653 -5.6994 -5.6993 -4.9366 -4.9343 -4.9319 -4.9257 -4.2429 -4.2361 -4.2305 -4.2236 -4.1067 -4.1040 1.0651 1.0652 1.6888 1.6891 1.7130 1.7139 1.7301 1.7308 6.8585 6.8593 6.8776 6.8807 6.9060 6.9066 7.0453 7.0468 7.0704 7.0712 7.0914 7.0931 7.1584 7.1632 7.1803 7.1807 13.4125 13.4129 14.6563 14.6571 14.7038 14.7039 14.7428 14.7437 k = 0.4412 0.5000 0.4412 ( 2860 PWs) bands (ev): -6.2794 -6.2740 -6.2635 -6.2623 -6.1683 -6.1646 -5.7031 -5.7028 -4.9378 -4.9354 -4.9327 -4.9246 -4.2504 -4.2399 -4.2313 -4.2242 -4.1097 -4.1053 1.0863 1.0866 1.7019 1.7021 1.7357 1.7369 1.7589 1.7599 6.8266 6.8273 6.8526 6.8572 6.8973 6.8979 7.0296 7.0314 7.0494 7.0516 7.0692 7.0712 7.1485 7.1543 7.1730 7.1737 13.4480 13.4486 14.6613 14.6623 14.7299 14.7301 14.7851 14.7861 k = 0.4314 0.5000 0.4314 ( 2860 PWs) bands (ev): -6.2838 -6.2759 -6.2616 -6.2609 -6.1689 -6.1635 -5.7074 -5.7069 -4.9389 -4.9364 -4.9338 -4.9236 -4.2591 -4.2440 -4.2321 -4.2255 -4.1127 -4.1063 1.1108 1.1112 1.7170 1.7173 1.7628 1.7644 1.7929 1.7940 6.7871 6.7876 6.8191 6.8258 6.8871 6.8878 7.0112 7.0151 7.0170 7.0209 7.0567 7.0597 7.1374 7.1443 7.1647 7.1657 13.4882 13.4892 14.6665 14.6677 14.7604 14.7606 14.8341 14.8352 k = 0.4216 0.5000 0.4216 ( 2868 PWs) bands (ev): -6.2891 -6.2781 -6.2598 -6.2595 -6.1693 -6.1620 -5.7124 -5.7116 -4.9402 -4.9375 -4.9350 -4.9226 -4.2691 -4.2483 -4.2328 -4.2276 -4.1154 -4.1070 1.1383 1.1389 1.7342 1.7346 1.7945 1.7963 1.8318 1.8331 6.7403 6.7406 6.7753 6.7842 6.8755 6.8762 6.9810 6.9829 7.0001 7.0009 7.0449 7.0483 7.1248 7.1326 7.1556 7.1567 13.5324 13.5338 14.6715 14.6729 14.7950 14.7953 14.8891 14.8903 k = 0.4118 0.5000 0.4118 ( 2876 PWs) bands (ev): -6.2952 -6.2808 -6.2591 -6.2574 -6.1692 -6.1602 -5.7182 -5.7169 -4.9414 -4.9386 -4.9365 -4.9216 -4.2803 -4.2527 -4.2334 -4.2308 -4.1177 -4.1072 1.1686 1.1694 1.7537 1.7540 1.8307 1.8328 1.8756 1.8770 6.6866 6.6866 6.7206 6.7315 6.8621 6.8629 6.9493 6.9520 6.9844 6.9849 7.0321 7.0359 7.1106 7.1192 7.1457 7.1469 13.5799 13.5819 14.6759 14.6776 14.8334 14.8337 14.9495 14.9509 k = 0.4020 0.5000 0.4020 ( 2876 PWs) bands (ev): -6.3022 -6.2839 -6.2589 -6.2552 -6.1685 -6.1579 -5.7247 -5.7227 -4.9427 -4.9396 -4.9382 -4.9206 -4.2926 -4.2572 -4.2351 -4.2338 -4.1191 -4.1068 1.2014 1.2024 1.7753 1.7757 1.8714 1.8738 1.9240 1.9255 6.6265 6.6268 6.6558 6.6684 6.8471 6.8480 6.9199 6.9235 6.9684 6.9691 7.0181 7.0223 7.0949 7.1042 7.1351 7.1364 13.6299 13.6324 14.6794 14.6812 14.8751 14.8754 15.0147 15.0162 k = 0.3922 0.5000 0.3922 ( 2870 PWs) bands (ev): -6.3098 -6.2876 -6.2593 -6.2530 -6.1670 -6.1552 -5.7319 -5.7290 -4.9439 -4.9404 -4.9400 -4.9195 -4.3057 -4.2620 -4.2402 -4.2340 -4.1195 -4.1058 1.2364 1.2377 1.7992 1.7996 1.9168 1.9194 1.9769 1.9784 6.5610 6.5615 6.5824 6.5964 6.8304 6.8314 6.8924 6.8967 6.9522 6.9531 7.0030 7.0075 7.0776 7.0877 7.1240 7.1252 13.6813 13.6845 14.6814 14.6834 14.9196 14.9199 15.0839 15.0854 k = 0.3824 0.5000 0.3824 ( 2878 PWs) bands (ev): -6.3182 -6.2920 -6.2604 -6.2511 -6.1646 -6.1522 -5.7399 -5.7357 -4.9452 -4.9422 -4.9413 -4.9185 -4.3196 -4.2676 -4.2456 -4.2339 -4.1189 -4.1042 1.2734 1.2750 1.8252 1.8257 1.9667 1.9695 2.0341 2.0356 6.4905 6.4914 6.5021 6.5170 6.8118 6.8129 6.8657 6.8706 6.9355 6.9365 6.9865 6.9914 7.0590 7.0696 7.1122 7.1134 13.7335 13.7375 14.6815 14.6838 14.9661 14.9664 15.1558 15.1574 k = 0.3725 0.5000 0.3725 ( 2870 PWs) bands (ev): -6.3272 -6.2973 -6.2622 -6.2495 -6.1612 -6.1488 -5.7485 -5.7427 -4.9465 -4.9445 -4.9419 -4.9175 -4.3342 -4.2745 -4.2503 -4.2334 -4.1171 -4.1019 1.3122 1.3142 1.8534 1.8539 2.0211 2.0241 2.0954 2.0969 6.4156 6.4159 6.4174 6.4318 6.7914 6.7926 6.8392 6.8446 6.9182 6.9194 6.9690 6.9742 7.0391 7.0504 7.0999 7.1010 13.7856 13.7903 14.6792 14.6818 15.0135 15.0137 15.2292 15.2309 k = 0.3627 0.5000 0.3627 ( 2858 PWs) bands (ev): -6.3368 -6.3034 -6.2645 -6.2484 -6.1569 -6.1450 -5.7578 -5.7501 -4.9478 -4.9470 -4.9422 -4.9165 -4.3491 -4.2835 -4.2535 -4.2325 -4.1143 -4.0989 1.3527 1.3549 1.8838 1.8844 2.0799 2.0829 2.1606 2.1620 6.3254 6.3374 6.3391 6.3423 6.7690 6.7703 6.8122 6.8179 6.9004 6.9017 6.9503 6.9558 7.0181 7.0299 7.0872 7.0881 13.8366 13.8422 14.6742 14.6771 15.0600 15.0601 15.3016 15.3034 k = 0.3529 0.5000 0.3529 ( 2854 PWs) bands (ev): -6.3469 -6.3105 -6.2674 -6.2480 -6.1516 -6.1408 -5.7677 -5.7576 -4.9498 -4.9492 -4.9424 -4.9155 -4.3645 -4.2944 -4.2551 -4.2310 -4.1106 -4.0953 1.3946 1.3972 1.9163 1.9169 2.1428 2.1459 2.2296 2.2309 6.2311 6.2478 6.2567 6.2579 6.7445 6.7459 6.7841 6.7903 6.8821 6.8835 6.9306 6.9364 6.9963 7.0085 7.0741 7.0749 13.8857 13.8922 14.6662 14.6693 15.1025 15.1030 15.3686 15.3704 k = 0.3431 0.5000 0.3431 ( 2864 PWs) bands (ev): -6.3576 -6.3186 -6.2708 -6.2483 -6.1455 -6.1362 -5.7782 -5.7651 -4.9528 -4.9506 -4.9424 -4.9145 -4.3800 -4.3068 -4.2552 -4.2289 -4.1060 -4.0911 1.4378 1.4408 1.9509 1.9516 2.2098 2.2128 2.3020 2.3031 6.1338 6.1512 6.1726 6.1741 6.7177 6.7193 6.7546 6.7612 6.8632 6.8647 6.9098 6.9159 6.9738 6.9864 7.0607 7.0613 13.9322 13.9394 14.6547 14.6582 15.1359 15.1374 15.4212 15.4227 k = 0.3333 0.5000 0.3333 ( 2852 PWs) bands (ev): -6.3686 -6.3276 -6.2747 -6.2496 -6.1387 -6.1311 -5.7891 -5.7727 -4.9560 -4.9520 -4.9421 -4.9135 -4.3956 -4.3202 -4.2538 -4.2260 -4.1007 -4.0862 1.4824 1.4857 1.9877 1.9884 2.2804 2.2833 2.3778 2.3787 6.0344 6.0522 6.0866 6.0883 6.6887 6.6905 6.7235 6.7305 6.8440 6.8454 6.8882 6.8945 6.9511 6.9640 7.0470 7.0475 13.9751 13.9831 14.6397 14.6435 15.1523 15.1552 15.4425 15.4432 k = 0.3235 0.5000 0.3235 ( 2860 PWs) bands (ev): -6.3801 -6.3375 -6.2790 -6.2520 -6.1313 -6.1257 -5.8003 -5.7800 -4.9594 -4.9535 -4.9416 -4.9126 -4.4111 -4.3345 -4.2511 -4.2224 -4.0947 -4.0807 1.5282 1.5317 2.0264 2.0272 2.3545 2.3571 2.4567 2.4573 5.9332 5.9513 5.9988 6.0006 6.6571 6.6590 6.6904 6.6978 6.8245 6.8258 6.8657 6.8723 6.9282 6.9415 7.0331 7.0335 14.0136 14.0224 14.6211 14.6252 15.1423 15.1469 15.4175 15.4180 k = 0.3137 0.5000 0.3137 ( 2856 PWs) bands (ev): -6.3918 -6.3483 -6.2837 -6.2555 -6.1234 -6.1199 -5.8117 -5.7872 -4.9629 -4.9549 -4.9409 -4.9116 -4.4265 -4.3492 -4.2471 -4.2179 -4.0881 -4.0747 1.5751 1.5790 2.0672 2.0681 2.4316 2.4339 2.5387 2.5389 5.8309 5.8493 5.9099 5.9117 6.6231 6.6251 6.6550 6.6628 6.8048 6.8060 6.8428 6.8495 6.9056 6.9191 7.0191 7.0193 14.0471 14.0566 14.5987 14.6032 15.1030 15.1089 15.3550 15.3565 k = 0.3039 0.5000 0.3039 ( 2852 PWs) bands (ev): -6.4039 -6.3597 -6.2891 -6.2603 -6.1151 -6.1136 -5.8232 -5.7939 -4.9666 -4.9565 -4.9399 -4.9107 -4.4416 -4.3643 -4.2418 -4.2125 -4.0810 -4.0681 1.6233 1.6274 2.1100 2.1110 2.5114 2.5132 2.6232 2.6233 5.7281 5.7467 5.8201 5.8221 6.5865 6.5886 6.6171 6.6253 6.7849 6.7860 6.8193 6.8263 6.8833 6.8970 7.0049 7.0051 14.0749 14.0849 14.5727 14.5777 15.0415 15.0480 15.2741 15.2763 k = 0.2941 0.5000 0.2941 ( 2852 PWs) bands (ev): -6.4161 -6.3718 -6.2950 -6.2664 -6.1070 -6.1065 -5.8346 -5.8003 -4.9704 -4.9580 -4.9387 -4.9098 -4.4564 -4.3796 -4.2353 -4.2061 -4.0734 -4.0610 1.6725 1.6770 2.1548 2.1558 2.5934 2.5947 2.7101 2.7106 5.6251 5.6439 5.7299 5.7319 6.5473 6.5494 6.5765 6.5852 6.7649 6.7658 6.7957 6.8028 6.8615 6.8755 6.9907 6.9908 14.0965 14.1069 14.5432 14.5487 14.9674 14.9741 15.1858 15.1884 k = 0.2843 0.5000 0.2843 ( 2846 PWs) bands (ev): -6.4286 -6.3844 -6.3016 -6.2738 -6.1001 -6.0975 -5.8458 -5.8062 -4.9744 -4.9596 -4.9373 -4.9090 -4.4708 -4.3950 -4.2276 -4.1989 -4.0655 -4.0534 1.7229 1.7276 2.2015 2.2026 2.6773 2.6780 2.7993 2.8002 5.5225 5.5413 5.6395 5.6416 6.5056 6.5075 6.5331 6.5421 6.7449 6.7457 6.7722 6.7793 6.8403 6.8545 6.9765 6.9766 14.1113 14.1220 14.5104 14.5164 14.8879 14.8944 15.0954 15.0982 k = 0.2745 0.5000 0.2745 ( 2846 PWs) bands (ev): -6.4412 -6.3975 -6.3089 -6.2825 -6.0929 -6.0884 -5.8567 -5.8116 -4.9784 -4.9613 -4.9358 -4.9081 -4.4848 -4.4103 -4.2188 -4.1906 -4.0571 -4.0454 1.7744 1.7793 2.2501 2.2513 2.7625 2.7625 2.8906 2.8919 5.4205 5.4395 5.5494 5.5515 6.4612 6.4630 6.4868 6.4961 6.7250 6.7256 6.7488 6.7559 6.8199 6.8343 6.9623 6.9624 14.1192 14.1299 14.4743 14.4810 14.8067 14.8130 15.0053 15.0081 k = 0.2647 0.5000 0.2647 ( 2850 PWs) bands (ev): -6.4539 -6.4109 -6.3170 -6.2923 -6.0855 -6.0792 -5.8670 -5.8164 -4.9825 -4.9630 -4.9342 -4.9073 -4.4982 -4.4255 -4.2088 -4.1815 -4.0484 -4.0369 1.8270 1.8321 2.3005 2.3018 2.8480 2.8486 2.9838 2.9856 5.3197 5.3387 5.4599 5.4619 6.4142 6.4157 6.4377 6.4472 6.7051 6.7057 6.7257 6.7329 6.8003 6.8150 6.9481 6.9483 14.1199 14.1306 14.4352 14.4427 14.7264 14.7322 14.9167 14.9196 k = 0.2549 0.5000 0.2549 ( 2850 PWs) bands (ev): -6.4666 -6.4245 -6.3258 -6.3033 -6.0780 -6.0700 -5.8767 -5.8208 -4.9865 -4.9647 -4.9324 -4.9066 -4.5111 -4.4405 -4.1977 -4.1715 -4.0394 -4.0281 1.8806 1.8859 2.3527 2.3541 2.9339 2.9352 3.0787 3.0808 5.2205 5.2395 5.3712 5.3733 6.3647 6.3657 6.3858 6.3952 6.6855 6.6860 6.7030 6.7103 6.7817 6.7966 6.9341 6.9344 14.1135 14.1241 14.3932 14.4016 14.6484 14.6536 14.8305 14.8334 k = 0.2451 0.5000 0.2451 ( 2860 PWs) bands (ev): -6.4793 -6.4384 -6.3354 -6.3153 -6.0704 -6.0607 -5.8857 -5.8246 -4.9906 -4.9665 -4.9306 -4.9059 -4.5234 -4.4551 -4.1857 -4.1607 -4.0302 -4.0190 1.9352 1.9407 2.4067 2.4081 3.0198 3.0218 3.1750 3.1774 5.1233 5.1422 5.2837 5.2857 6.3127 6.3129 6.3313 6.3404 6.6660 6.6664 6.6808 6.6881 6.7641 6.7792 6.9203 6.9206 14.1003 14.1106 14.3482 14.3577 14.5736 14.5781 14.7470 14.7499 k = 0.2353 0.5000 0.2353 ( 2860 PWs) bands (ev): -6.4920 -6.4524 -6.3458 -6.3281 -6.0627 -6.0516 -5.8938 -5.8279 -4.9946 -4.9683 -4.9287 -4.9053 -4.5351 -4.4694 -4.1727 -4.1491 -4.0207 -4.0096 1.9907 1.9963 2.4623 2.4638 3.1053 3.1080 3.2723 3.2750 5.0285 5.0474 5.1976 5.1997 6.2573 6.2583 6.2745 6.2829 6.6469 6.6472 6.6590 6.6666 6.7477 6.7630 6.9066 6.9070 14.0807 14.0905 14.3004 14.3110 14.5029 14.5066 14.6666 14.6695 k = 0.2255 0.5000 0.2255 ( 2860 PWs) bands (ev): -6.5046 -6.4664 -6.3568 -6.3416 -6.0550 -6.0426 -5.9010 -5.8309 -4.9984 -4.9701 -4.9268 -4.9046 -4.5463 -4.4833 -4.1589 -4.1369 -4.0110 -3.9999 2.0470 2.0528 2.5195 2.5211 3.1899 3.1932 3.3705 3.3733 4.9367 4.9554 5.1133 5.1153 6.1988 6.2014 6.2156 6.2227 6.6281 6.6284 6.6379 6.6456 6.7326 6.7481 6.8932 6.8936 14.0551 14.0645 14.2496 14.2614 14.4368 14.4395 14.5895 14.5924 k = 0.2157 0.5000 0.2157 ( 2860 PWs) bands (ev): -6.5171 -6.4804 -6.3684 -6.3557 -6.0474 -6.0339 -5.9072 -5.8334 -5.0022 -4.9720 -4.9249 -4.9040 -4.5567 -4.4968 -4.1444 -4.1240 -4.0012 -3.9899 2.1041 2.1100 2.5782 2.5799 3.2730 3.2770 3.4690 3.4719 4.8481 4.8667 5.0310 5.0329 6.1374 6.1422 6.1548 6.1600 6.6097 6.6099 6.6173 6.6252 6.7188 6.7345 6.8801 6.8805 14.0243 14.0332 14.1961 14.2090 14.3752 14.3771 14.5159 14.5187 k = 0.2059 0.5000 0.2059 ( 2858 PWs) bands (ev): -6.5293 -6.4943 -6.3806 -6.3702 -6.0399 -6.0255 -5.9124 -5.8356 -5.0057 -4.9740 -4.9230 -4.9034 -4.5666 -4.5097 -4.1293 -4.1106 -3.9913 -3.9798 2.1618 2.1677 2.6384 2.6402 3.3543 3.3589 3.5675 3.5705 4.7636 4.7819 4.9509 4.9528 6.0733 6.0808 6.0922 6.0951 6.5917 6.5919 6.5974 6.6055 6.7066 6.7224 6.8673 6.8677 13.9891 13.9974 14.1402 14.1540 14.3181 14.3193 14.4458 14.4486 k = 0.1961 0.5000 0.1961 ( 2862 PWs) bands (ev): -6.5413 -6.5081 -6.3932 -6.3850 -6.0326 -6.0175 -5.9164 -5.8375 -5.0091 -4.9760 -4.9212 -4.9029 -4.5759 -4.5222 -4.1137 -4.0968 -3.9813 -3.9696 2.2199 2.2259 2.6999 2.7018 3.4331 3.4382 3.6656 3.6685 4.6835 4.7017 4.8733 4.8751 6.0066 6.0171 6.0279 6.0281 6.5742 6.5743 6.5781 6.5864 6.6959 6.7117 6.8548 6.8552 13.9501 13.9579 14.0826 14.0971 14.2650 14.2658 14.3793 14.3820 k = 0.1863 0.5000 0.1863 ( 2856 PWs) bands (ev): -6.5531 -6.5216 -6.4061 -6.3999 -6.0255 -6.0101 -5.9194 -5.8392 -5.0123 -4.9780 -4.9194 -4.9024 -4.5845 -4.5341 -4.0977 -4.0827 -3.9713 -3.9592 2.2783 2.2842 2.7626 2.7646 3.5086 3.5143 3.7629 3.7656 4.6089 4.6267 4.7985 4.8002 5.9379 5.9512 5.9595 5.9620 6.5570 6.5572 6.5598 6.5680 6.6867 6.7026 6.8427 6.8431 13.9081 13.9153 14.0241 14.0390 14.2154 14.2158 14.3165 14.3191 k = 0.1765 0.5000 0.1765 ( 2856 PWs) bands (ev): -6.5645 -6.5348 -6.4192 -6.4147 -6.0186 -6.0033 -5.9212 -5.8406 -5.0152 -4.9801 -4.9177 -4.9020 -4.5926 -4.5454 -4.0815 -4.0685 -3.9613 -3.9488 2.3367 2.3426 2.8264 2.8285 3.5801 3.5864 3.8587 3.8612 4.5406 4.5580 4.7267 4.7283 5.8671 5.8828 5.8897 5.8943 6.5400 6.5409 6.5426 6.5504 6.6793 6.6951 6.8311 6.8315 13.8639 13.8705 13.9652 13.9804 14.1687 14.1689 14.2573 14.2598 k = 0.1667 0.5000 0.1667 ( 2856 PWs) bands (ev): -6.5756 -6.5477 -6.4324 -6.4295 -6.0121 -5.9972 -5.9218 -5.8420 -5.0178 -4.9822 -4.9160 -4.9016 -4.6000 -4.5561 -4.0652 -4.0541 -3.9513 -3.9384 2.3948 2.4006 2.8912 2.8934 3.6464 3.6534 3.9524 3.9547 4.4799 4.4968 4.6582 4.6597 5.7946 5.8118 5.8191 5.8250 6.5231 6.5251 6.5265 6.5335 6.6735 6.6892 6.8198 6.8202 13.8180 13.8241 13.9065 13.9219 14.1246 14.1247 14.2018 14.2041 k = 0.1569 0.5000 0.1569 ( 2856 PWs) bands (ev): -6.5863 -6.5602 -6.4455 -6.4439 -6.0058 -5.9919 -5.9213 -5.8432 -5.0202 -4.9844 -4.9145 -4.9012 -4.6069 -4.5662 -4.0489 -4.0399 -3.9414 -3.9281 2.4523 2.4580 2.9567 2.9590 3.7064 3.7141 4.0432 4.0452 4.4288 4.4450 4.5933 4.5947 5.7207 5.7386 5.7478 5.7541 6.5069 6.5100 6.5113 6.5174 6.6693 6.6848 6.8091 6.8094 13.7711 13.7766 13.8484 13.8638 14.0830 14.0830 14.1498 14.1521 k = 0.1471 0.5000 0.1471 ( 2860 PWs) bands (ev): -6.5965 -6.5723 -6.4585 -6.4580 -6.0000 -5.9874 -5.9197 -5.8443 -5.0223 -4.9866 -4.9130 -4.9009 -4.6133 -4.5758 -4.0329 -4.0258 -3.9316 -3.9179 2.5088 2.5144 3.0227 3.0251 3.7584 3.7669 4.1296 4.1313 4.3899 4.4052 4.5322 4.5335 5.6458 5.6640 5.6755 5.6819 6.4914 6.4956 6.4969 6.5021 6.6668 6.6820 6.7988 6.7991 13.7237 13.7287 13.7912 13.8065 14.0438 14.0438 14.1014 14.1035 k = 0.1373 0.5000 0.1373 ( 2854 PWs) bands (ev): -6.6062 -6.5838 -6.4716 -6.4711 -5.9945 -5.9837 -5.9172 -5.8454 -5.0240 -4.9889 -4.9116 -4.9006 -4.6191 -4.5847 -4.0172 -4.0120 -3.9220 -3.9079 2.5639 2.5692 3.0890 3.0915 3.8008 3.8104 4.2082 4.2091 4.3684 4.3822 4.4754 4.4766 5.5700 5.5884 5.6020 5.6085 6.4769 6.4820 6.4833 6.4877 6.6658 6.6807 6.7891 6.7894 13.6764 13.6809 13.7353 13.7504 14.0072 14.0072 14.0565 14.0586 k = 0.1275 0.5000 0.1275 ( 2852 PWs) bands (ev): -6.6154 -6.5949 -6.4846 -6.4834 -5.9894 -5.9805 -5.9138 -5.8463 -5.0255 -4.9912 -4.9104 -4.9003 -4.6244 -4.5931 -4.0020 -3.9987 -3.9125 -3.8981 2.6170 2.6220 3.1552 3.1578 3.8322 3.8431 4.2675 4.2692 4.3763 4.3864 4.4235 4.4245 5.4938 5.5123 5.5277 5.5342 6.4632 6.4691 6.4704 6.4740 6.6662 6.6806 6.7799 6.7802 13.6297 13.6336 13.6808 13.6955 13.9732 13.9732 14.0152 14.0171 k = 0.1176 0.5000 0.1176 ( 2844 PWs) bands (ev): -6.6241 -6.6053 -6.4970 -6.4952 -5.9848 -5.9780 -5.9100 -5.8473 -5.0266 -4.9935 -4.9091 -4.9001 -4.6292 -4.6008 -3.9875 -3.9859 -3.9033 -3.8887 2.6674 2.6722 3.2209 3.2236 3.8529 3.8651 4.2971 4.3023 4.3750 4.3758 4.4244 4.4299 5.4175 5.4359 5.4524 5.4589 6.4506 6.4571 6.4585 6.4615 6.6681 6.6820 6.7713 6.7716 13.5839 13.5874 13.6282 13.6424 13.9417 13.9418 13.9773 13.9790 k = 0.1078 0.5000 0.1078 ( 2844 PWs) bands (ev): -6.6321 -6.6150 -6.5086 -6.5064 -5.9807 -5.9758 -5.9058 -5.8483 -5.0275 -4.9958 -4.9080 -4.8999 -4.6335 -4.6079 -3.9738 -3.9737 -3.8942 -3.8796 2.7147 2.7191 3.2855 3.2883 3.8649 3.8782 4.3172 4.3232 4.3336 4.3343 4.4880 4.4916 5.3414 5.3598 5.3766 5.3831 6.4390 6.4459 6.4473 6.4498 6.6712 6.6844 6.7633 6.7636 13.5397 13.5428 13.5777 13.5913 13.9129 13.9130 13.9426 13.9442 k = 0.0980 0.5000 0.0980 ( 2844 PWs) bands (ev): -6.6395 -6.6242 -6.5194 -6.5169 -5.9770 -5.9740 -5.9013 -5.8493 -5.0280 -4.9981 -4.9070 -4.8998 -4.6373 -4.6145 -3.9622 -3.9611 -3.8855 -3.8710 2.7582 2.7621 3.3484 3.3512 3.8717 3.8858 4.2976 4.2985 4.3399 4.3457 4.5533 4.5563 5.2662 5.2845 5.3006 5.3070 6.4284 6.4356 6.4371 6.4391 6.6753 6.6877 6.7559 6.7562 13.4974 13.5001 13.5297 13.5425 13.8868 13.8869 13.9113 13.9128 k = 0.0882 0.5000 0.0882 ( 2852 PWs) bands (ev): -6.6463 -6.6326 -6.5293 -6.5267 -5.9738 -5.9723 -5.8969 -5.8504 -5.0283 -5.0005 -4.9061 -4.8997 -4.6406 -4.6205 -3.9516 -3.9495 -3.8771 -3.8631 2.7971 2.8006 3.4086 3.4114 3.8768 3.8914 4.2687 4.2694 4.3657 4.3709 4.6151 4.6180 5.1924 5.2104 5.2248 5.2311 6.4189 6.4261 6.4277 6.4294 6.6801 6.6917 6.7492 6.7494 13.4575 13.4599 13.4846 13.4965 13.8633 13.8635 13.8832 13.8845 k = 0.0784 0.5000 0.0784 ( 2848 PWs) bands (ev): -6.6523 -6.6403 -6.5382 -6.5356 -5.9710 -5.9708 -5.8924 -5.8514 -5.0283 -5.0028 -4.9052 -4.8997 -4.6435 -4.6258 -3.9419 -3.9390 -3.8691 -3.8557 2.8312 2.8343 3.4652 3.4679 3.8833 3.8980 4.2475 4.2482 4.3932 4.3977 4.6712 4.6741 5.1209 5.1382 5.1501 5.1559 6.4106 6.4175 6.4193 6.4208 6.6855 6.6961 6.7431 6.7433 13.4205 13.4225 13.4428 13.4538 13.8426 13.8427 13.8582 13.8594 k = 0.0686 0.5000 0.0686 ( 2852 PWs) bands (ev): -6.6576 -6.6472 -6.5462 -6.5437 -5.9694 -5.9687 -5.8881 -5.8526 -5.0280 -5.0052 -4.9044 -4.8997 -4.6459 -4.6307 -3.9331 -3.9298 -3.8615 -3.8491 2.8602 2.8628 3.5167 3.5193 3.8929 3.9073 4.2348 4.2355 4.4206 4.4245 4.7200 4.7227 5.0528 5.0674 5.0789 5.0826 6.4033 6.4097 6.4118 6.4132 6.6912 6.7007 6.7378 6.7379 13.3868 13.3885 13.4047 13.4146 13.8244 13.8245 13.8364 13.8374 k = 0.0588 0.5000 0.0588 ( 2852 PWs) bands (ev): -6.6622 -6.6534 -6.5531 -6.5509 -5.9682 -5.9668 -5.8840 -5.8538 -5.0275 -5.0075 -4.9037 -4.8997 -4.6478 -4.6350 -3.9254 -3.9219 -3.8545 -3.8433 2.8839 2.8861 3.5621 3.5645 3.9062 3.9201 4.2315 4.2322 4.4468 4.4501 4.7587 4.7609 4.9886 4.9964 5.0143 5.0164 6.3971 6.4029 6.4054 6.4066 6.6969 6.7053 6.7331 6.7333 13.3567 13.3581 13.3709 13.3795 13.8088 13.8089 13.8176 13.8185 k = 0.0490 0.5000 0.0490 ( 2856 PWs) bands (ev): -6.6660 -6.6587 -6.5590 -6.5570 -5.9670 -5.9654 -5.8801 -5.8552 -5.0267 -5.0098 -4.9031 -4.8998 -4.6493 -4.6387 -3.9186 -3.9153 -3.8482 -3.8384 2.9027 2.9045 3.6000 3.6022 3.9229 3.9358 4.2377 4.2386 4.4710 4.4738 4.7820 4.7826 4.9254 4.9265 4.9616 4.9681 6.3920 6.3971 6.3999 6.4010 6.7024 6.7095 6.7292 6.7294 13.3305 13.3317 13.3416 13.3490 13.7956 13.7958 13.8018 13.8025 k = 0.0392 0.5000 0.0392 ( 2856 PWs) bands (ev): -6.6691 -6.6632 -6.5638 -6.5621 -5.9660 -5.9643 -5.8764 -5.8567 -5.0257 -5.0120 -4.9025 -4.8999 -4.6504 -4.6420 -3.9130 -3.9101 -3.8426 -3.8345 2.9170 2.9184 3.6301 3.6319 3.9417 3.9532 4.2530 4.2539 4.4929 4.4952 4.7790 4.7817 4.8603 4.8619 4.9371 4.9423 6.3880 6.3922 6.3954 6.3964 6.7073 6.7130 6.7261 6.7263 13.3087 13.3096 13.3172 13.3233 13.7850 13.7851 13.7889 13.7895 k = 0.0294 0.5000 0.0294 ( 2854 PWs) bands (ev): -6.6713 -6.6669 -6.5675 -6.5662 -5.9650 -5.9636 -5.8730 -5.8583 -5.0245 -5.0141 -4.9020 -4.9001 -4.6509 -4.6447 -3.9085 -3.9061 -3.8379 -3.8317 2.9274 2.9284 3.6522 3.6536 3.9609 3.9703 4.2750 4.2759 4.5122 4.5140 4.7534 4.7585 4.8008 4.8031 4.9364 4.9388 6.3851 6.3882 6.3920 6.3928 6.7115 6.7155 6.7238 6.7242 13.2915 13.2921 13.2981 13.3027 13.7768 13.7769 13.7790 13.7794 k = 0.0196 0.5000 0.0196 ( 2862 PWs) bands (ev): -6.6727 -6.6698 -6.5701 -6.5692 -5.9643 -5.9632 -5.8700 -5.8602 -5.0232 -5.0161 -4.9016 -4.9003 -4.6511 -4.6470 -3.9051 -3.9035 -3.8341 -3.8299 2.9343 2.9350 3.6671 3.6681 3.9779 3.9846 4.2994 4.3003 4.5283 4.5298 4.7215 4.7260 4.7530 4.7547 4.9439 4.9448 6.3831 6.3853 6.3896 6.3901 6.7144 6.7168 6.7225 6.7232 13.2790 13.2794 13.2846 13.2877 13.7709 13.7709 13.7719 13.7721 k = 0.0098 0.5000 0.0098 ( 2862 PWs) bands (ev): -6.6732 -6.6718 -6.5716 -6.5711 -5.9637 -5.9631 -5.8671 -5.8623 -5.0216 -5.0181 -4.9012 -4.9006 -4.6508 -4.6487 -3.9029 -3.9020 -3.8314 -3.8293 2.9383 2.9387 3.6757 3.6762 3.9902 3.9937 4.3197 4.3202 4.5401 4.5409 4.6954 4.6975 4.7226 4.7230 4.9505 4.9508 6.3822 6.3833 6.3882 6.3885 6.7160 6.7169 6.7223 6.7229 13.2714 13.2716 13.2767 13.2782 13.7674 13.7674 13.7678 13.7678 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -6.6729 -6.6729 -6.5719 -6.5719 -5.9633 -5.9633 -5.8646 -5.8646 -5.0200 -5.0200 -4.9009 -4.9009 -4.6500 -4.6500 -3.9019 -3.9019 -3.8298 -3.8298 2.9397 2.9397 3.6785 3.6785 3.9957 3.9957 4.3279 4.3279 4.5449 4.5449 4.6854 4.6854 4.7121 4.7121 4.9530 4.9530 6.3822 6.3822 6.3878 6.3878 6.7166 6.7166 6.7227 6.7227 13.2690 13.2690 13.2746 13.2746 13.7661 13.7661 13.7664 13.7664 k = 0.5000 0.5000-0.0000 ( 2832 PWs) bands (ev): -6.3042 -6.3042 -6.2579 -6.2579 -6.1796 -6.1796 -5.8600 -5.8600 -4.9592 -4.9592 -4.9437 -4.9437 -4.3992 -4.3992 -4.3527 -4.3527 -4.2186 -4.2186 2.5724 2.5724 3.0217 3.0217 3.2803 3.2803 3.2826 3.2826 4.9117 4.9117 4.9277 4.9277 4.9412 4.9412 5.2097 5.2097 6.8827 6.8827 7.0440 7.0440 7.0565 7.0565 7.0701 7.0701 15.2087 15.2087 15.2390 15.2390 15.2467 15.2467 15.6091 15.6091 k = 0.5000 0.5000 0.0139 ( 2832 PWs) bands (ev): -6.3041 -6.3041 -6.2579 -6.2579 -6.1796 -6.1796 -5.8597 -5.8597 -4.9592 -4.9592 -4.9436 -4.9436 -4.3989 -4.3989 -4.3524 -4.3524 -4.2184 -4.2184 2.5671 2.5671 3.0173 3.0173 3.2739 3.2739 3.2764 3.2764 4.9179 4.9179 4.9348 4.9348 4.9482 4.9482 5.2151 5.2151 6.8828 6.8828 7.0442 7.0442 7.0566 7.0566 7.0701 7.0701 15.2096 15.2096 15.2405 15.2405 15.2482 15.2482 15.5858 15.5858 k = 0.5000 0.5000 0.0278 ( 2840 PWs) bands (ev): -6.3040 -6.3040 -6.2580 -6.2580 -6.1796 -6.1796 -5.8587 -5.8587 -4.9592 -4.9592 -4.9435 -4.9435 -4.3981 -4.3981 -4.3516 -4.3516 -4.2179 -4.2179 2.5514 2.5514 3.0042 3.0042 3.2549 3.2549 3.2579 3.2579 4.9362 4.9362 4.9559 4.9559 4.9689 4.9689 5.2312 5.2312 6.8830 6.8830 7.0446 7.0446 7.0571 7.0571 7.0703 7.0703 15.2122 15.2122 15.2449 15.2449 15.2526 15.2526 15.5475 15.5475 k = 0.5000 0.5000 0.0417 ( 2840 PWs) bands (ev): -6.3036 -6.3036 -6.2581 -6.2581 -6.1795 -6.1795 -5.8571 -5.8571 -4.9591 -4.9591 -4.9432 -4.9432 -4.3966 -4.3966 -4.3503 -4.3503 -4.2170 -4.2170 2.5260 2.5260 2.9828 2.9828 3.2246 3.2246 3.2281 3.2281 4.9663 4.9663 4.9898 4.9898 5.0024 5.0024 5.2574 5.2574 6.8834 6.8834 7.0454 7.0454 7.0579 7.0579 7.0705 7.0705 15.2164 15.2164 15.2521 15.2521 15.2599 15.2599 15.5014 15.5014 k = 0.5000 0.5000 0.0556 ( 2828 PWs) bands (ev): -6.3031 -6.3031 -6.2582 -6.2582 -6.1794 -6.1794 -5.8549 -5.8549 -4.9590 -4.9590 -4.9428 -4.9428 -4.3946 -4.3946 -4.3485 -4.3485 -4.2158 -4.2158 2.4917 2.4917 2.9539 2.9539 3.1843 3.1843 3.1885 3.1885 5.0074 5.0074 5.0350 5.0350 5.0472 5.0472 5.2931 5.2931 6.8839 6.8839 7.0465 7.0465 7.0591 7.0591 7.0708 7.0708 15.2220 15.2220 15.2620 15.2620 15.2699 15.2699 15.4481 15.4481 k = 0.5000 0.5000 0.0694 ( 2836 PWs) bands (ev): -6.3025 -6.3025 -6.2584 -6.2584 -6.1793 -6.1793 -5.8521 -5.8521 -4.9589 -4.9589 -4.9423 -4.9423 -4.3920 -4.3920 -4.3461 -4.3461 -4.2142 -4.2142 2.4496 2.4496 2.9182 2.9182 3.1357 3.1357 3.1404 3.1404 5.0584 5.0584 5.0899 5.0899 5.1016 5.1016 5.3373 5.3373 6.8846 6.8846 7.0479 7.0479 7.0604 7.0604 7.0711 7.0711 15.2285 15.2285 15.2744 15.2744 15.2824 15.2824 15.3882 15.3882 k = 0.5000 0.5000 0.0833 ( 2840 PWs) bands (ev): -6.3018 -6.3018 -6.2586 -6.2586 -6.1791 -6.1791 -5.8487 -5.8487 -4.9588 -4.9588 -4.9417 -4.9417 -4.3889 -4.3889 -4.3433 -4.3433 -4.2123 -4.2123 2.4007 2.4007 2.8766 2.8766 3.0804 3.0804 3.0856 3.0856 5.1181 5.1181 5.1528 5.1528 5.1640 5.1640 5.3890 5.3890 6.8854 6.8854 7.0495 7.0495 7.0621 7.0621 7.0716 7.0716 15.2340 15.2340 15.2885 15.2885 15.2970 15.2970 15.3244 15.3244 k = 0.5000 0.5000 0.0972 ( 2856 PWs) bands (ev): -6.3009 -6.3009 -6.2589 -6.2589 -6.1790 -6.1790 -5.8448 -5.8448 -4.9586 -4.9586 -4.9410 -4.9410 -4.3853 -4.3853 -4.3401 -4.3401 -4.2101 -4.2101 2.3462 2.3462 2.8300 2.8300 3.0198 3.0198 3.0254 3.0254 5.1854 5.1854 5.2222 5.2222 5.2330 5.2330 5.4473 5.4473 6.8863 6.8863 7.0515 7.0515 7.0641 7.0641 7.0721 7.0721 15.2236 15.2236 15.2694 15.2694 15.3061 15.3061 15.3135 15.3135 k = 0.5000 0.5000 0.1111 ( 2852 PWs) bands (ev): -6.2999 -6.2999 -6.2592 -6.2592 -6.1787 -6.1787 -5.8403 -5.8403 -4.9584 -4.9584 -4.9403 -4.9403 -4.3811 -4.3811 -4.3364 -4.3364 -4.2075 -4.2075 2.2874 2.2874 2.7794 2.7794 2.9553 2.9553 2.9614 2.9614 5.2592 5.2592 5.2969 5.2969 5.3071 5.3071 5.5111 5.5111 6.8875 6.8875 7.0537 7.0537 7.0665 7.0665 7.0728 7.0728 15.1613 15.1613 15.2638 15.2638 15.3232 15.3232 15.3310 15.3310 k = 0.5000 0.5000 0.1250 ( 2852 PWs) bands (ev): -6.2988 -6.2988 -6.2595 -6.2595 -6.1785 -6.1785 -5.8353 -5.8353 -4.9581 -4.9581 -4.9395 -4.9395 -4.3765 -4.3765 -4.3323 -4.3323 -4.2046 -4.2046 2.2251 2.2251 2.7256 2.7256 2.8880 2.8880 2.8944 2.8944 5.3384 5.3384 5.3755 5.3755 5.3852 5.3852 5.5795 5.5795 6.8887 6.8887 7.0562 7.0562 7.0690 7.0690 7.0735 7.0735 15.0824 15.0824 15.2698 15.2698 15.3408 15.3408 15.3487 15.3487 k = 0.5000 0.5000 0.1389 ( 2844 PWs) bands (ev): -6.2976 -6.2976 -6.2598 -6.2598 -6.1782 -6.1782 -5.8299 -5.8299 -4.9577 -4.9577 -4.9386 -4.9386 -4.3714 -4.3714 -4.3278 -4.3278 -4.2014 -4.2014 2.1603 2.1603 2.6694 2.6694 2.8189 2.8189 2.8256 2.8256 5.4220 5.4220 5.4572 5.4572 5.4664 5.4664 5.6516 5.6516 6.8900 6.8900 7.0590 7.0590 7.0718 7.0718 7.0743 7.0743 14.9989 14.9989 15.2759 15.2759 15.3574 15.3574 15.3655 15.3655 k = 0.5000 0.5000 0.1528 ( 2860 PWs) bands (ev): -6.2964 -6.2964 -6.2602 -6.2602 -6.1779 -6.1779 -5.8241 -5.8241 -4.9572 -4.9572 -4.9378 -4.9378 -4.3659 -4.3659 -4.3231 -4.3231 -4.1980 -4.1980 2.0938 2.0938 2.6115 2.6115 2.7487 2.7487 2.7557 2.7557 5.5091 5.5091 5.5409 5.5409 5.5495 5.5495 5.7266 5.7266 6.8914 6.8914 7.0619 7.0619 7.0745 7.0745 7.0756 7.0756 14.9124 14.9124 15.2799 15.2799 15.3715 15.3715 15.3796 15.3796 k = 0.5000 0.5000 0.1667 ( 2868 PWs) bands (ev): -6.2950 -6.2950 -6.2606 -6.2606 -6.1775 -6.1775 -5.8179 -5.8179 -4.9567 -4.9567 -4.9369 -4.9369 -4.3599 -4.3599 -4.3180 -4.3180 -4.1942 -4.1942 2.0263 2.0263 2.5526 2.5526 2.6781 2.6781 2.6853 2.6853 5.5986 5.5986 5.6262 5.6262 5.6340 5.6340 5.8037 5.8037 6.8929 6.8929 7.0650 7.0650 7.0758 7.0758 7.0784 7.0784 14.8239 14.8239 15.2807 15.2807 15.3810 15.3810 15.3890 15.3890 k = 0.5000 0.5000 0.1806 ( 2868 PWs) bands (ev): -6.2936 -6.2936 -6.2610 -6.2610 -6.1771 -6.1771 -5.8113 -5.8113 -4.9562 -4.9562 -4.9360 -4.9360 -4.3537 -4.3537 -4.3127 -4.3127 -4.1902 -4.1902 1.9584 1.9584 2.4931 2.4931 2.6077 2.6077 2.6151 2.6151 5.6899 5.6899 5.7125 5.7125 5.7193 5.7193 5.8825 5.8825 6.8946 6.8946 7.0682 7.0682 7.0770 7.0770 7.0819 7.0819 14.7341 14.7341 15.2769 15.2769 15.3837 15.3837 15.3915 15.3915 k = 0.5000 0.5000 0.1944 ( 2860 PWs) bands (ev): -6.2921 -6.2921 -6.2614 -6.2614 -6.1766 -6.1766 -5.8045 -5.8045 -4.9555 -4.9555 -4.9352 -4.9352 -4.3470 -4.3470 -4.3072 -4.3072 -4.1859 -4.1859 1.8906 1.8906 2.4337 2.4337 2.5379 2.5379 2.5454 2.5454 5.7818 5.7818 5.7995 5.7995 5.8048 5.8048 5.9622 5.9622 6.8963 6.8963 7.0716 7.0716 7.0783 7.0783 7.0857 7.0857 14.6435 14.6435 15.2678 15.2678 15.3775 15.3775 15.3850 15.3850 k = 0.5000 0.5000 0.2083 ( 2844 PWs) bands (ev): -6.2905 -6.2905 -6.2618 -6.2618 -6.1762 -6.1762 -5.7975 -5.7975 -4.9547 -4.9547 -4.9342 -4.9342 -4.3402 -4.3402 -4.3016 -4.3016 -4.1814 -4.1814 1.8234 1.8234 2.3747 2.3747 2.4692 2.4692 2.4768 2.4768 5.8726 5.8726 5.8872 5.8872 5.8906 5.8906 6.0422 6.0422 6.8981 6.8981 7.0747 7.0747 7.0801 7.0801 7.0897 7.0897 14.5527 14.5527 15.2526 15.2526 15.3614 15.3614 15.3684 15.3684 k = 0.5000 0.5000 0.2222 ( 2852 PWs) bands (ev): -6.2889 -6.2889 -6.2622 -6.2622 -6.1757 -6.1757 -5.7903 -5.7903 -4.9539 -4.9539 -4.9334 -4.9334 -4.3331 -4.3331 -4.2959 -4.2959 -4.1767 -4.1767 1.7573 1.7573 2.3165 2.3165 2.4018 2.4018 2.4095 2.4095 5.9605 5.9605 5.9728 5.9728 5.9799 5.9799 6.1222 6.1222 6.8999 6.8999 7.0772 7.0772 7.0826 7.0826 7.0939 7.0939 14.4622 14.4622 15.2314 15.2314 15.3353 15.3353 15.3419 15.3419 k = 0.5000 0.5000 0.2361 ( 2856 PWs) bands (ev): -6.2874 -6.2874 -6.2627 -6.2627 -6.1751 -6.1751 -5.7830 -5.7830 -4.9531 -4.9531 -4.9326 -4.9326 -4.3258 -4.3258 -4.2901 -4.2901 -4.1718 -4.1718 1.6925 1.6925 2.2594 2.2594 2.3361 2.3361 2.3439 2.3439 6.0452 6.0452 6.0557 6.0557 6.0718 6.0718 6.2015 6.2015 6.9017 6.9017 7.0789 7.0789 7.0860 7.0860 7.0982 7.0982 14.3724 14.3724 15.2043 15.2043 15.3007 15.3007 15.3067 15.3067 k = 0.5000 0.5000 0.2500 ( 2856 PWs) bands (ev): -6.2858 -6.2858 -6.2631 -6.2631 -6.1746 -6.1746 -5.7756 -5.7756 -4.9521 -4.9521 -4.9319 -4.9319 -4.3184 -4.3184 -4.2844 -4.2844 -4.1667 -4.1667 1.6295 1.6295 2.2038 2.2038 2.2725 2.2725 2.2803 2.2803 6.1274 6.1274 6.1368 6.1368 6.1638 6.1638 6.2799 6.2799 6.9035 6.9035 7.0803 7.0803 7.0899 7.0899 7.1027 7.1027 14.2836 14.2836 15.1723 15.1723 15.2593 15.2593 15.2649 15.2649 k = 0.5000 0.5000 0.2639 ( 2856 PWs) bands (ev): -6.2842 -6.2842 -6.2636 -6.2636 -6.1740 -6.1740 -5.7683 -5.7683 -4.9511 -4.9511 -4.9312 -4.9312 -4.3109 -4.3109 -4.2787 -4.2787 -4.1615 -4.1615 1.5684 1.5684 2.1499 2.1499 2.2110 2.2110 2.2188 2.2188 6.2070 6.2070 6.2157 6.2157 6.2548 6.2548 6.3569 6.3569 6.9054 6.9054 7.0815 7.0815 7.0942 7.0942 7.1074 7.1074 14.1964 14.1964 15.1361 15.1361 15.2131 15.2131 15.2184 15.2184 k = 0.5000 0.5000 0.2778 ( 2860 PWs) bands (ev): -6.2827 -6.2827 -6.2640 -6.2640 -6.1734 -6.1734 -5.7610 -5.7610 -4.9500 -4.9500 -4.9305 -4.9305 -4.3035 -4.3035 -4.2732 -4.2732 -4.1563 -4.1563 1.5097 1.5097 2.0979 2.0979 2.1520 2.1520 2.1598 2.1598 6.2840 6.2840 6.2920 6.2920 6.3439 6.3439 6.4320 6.4320 6.9072 6.9072 7.0825 7.0825 7.0986 7.0986 7.1122 7.1122 14.1112 14.1112 15.0970 15.0970 15.1640 15.1640 15.1690 15.1690 k = 0.5000 0.5000 0.2917 ( 2860 PWs) bands (ev): -6.2812 -6.2812 -6.2644 -6.2644 -6.1727 -6.1727 -5.7538 -5.7538 -4.9488 -4.9488 -4.9299 -4.9299 -4.2960 -4.2960 -4.2678 -4.2678 -4.1510 -4.1510 1.4534 1.4534 2.0481 2.0481 2.0957 2.0957 2.1034 2.1034 6.3579 6.3579 6.3654 6.3654 6.4307 6.4307 6.5052 6.5052 6.9090 6.9090 7.0836 7.0836 7.1032 7.1032 7.1172 7.1172 14.0283 14.0283 15.0558 15.0558 15.1134 15.1134 15.1182 15.1182 k = 0.5000 0.5000 0.3056 ( 2868 PWs) bands (ev): -6.2797 -6.2797 -6.2649 -6.2649 -6.1721 -6.1721 -5.7468 -5.7468 -4.9476 -4.9476 -4.9294 -4.9294 -4.2887 -4.2887 -4.2626 -4.2626 -4.1457 -4.1457 1.3998 1.3998 2.0007 2.0007 2.0421 2.0421 2.0498 2.0498 6.4285 6.4285 6.4355 6.4355 6.5143 6.5143 6.5760 6.5760 6.9107 6.9107 7.0845 7.0845 7.1081 7.1081 7.1225 7.1225 13.9481 13.9481 15.0135 15.0135 15.0625 15.0625 15.0671 15.0671 k = 0.5000 0.5000 0.3194 ( 2876 PWs) bands (ev): -6.2783 -6.2783 -6.2653 -6.2653 -6.1715 -6.1715 -5.7400 -5.7400 -4.9464 -4.9464 -4.9290 -4.9290 -4.2816 -4.2816 -4.2576 -4.2576 -4.1404 -4.1404 1.3491 1.3491 1.9558 1.9558 1.9916 1.9916 1.9991 1.9991 6.4954 6.4954 6.5020 6.5020 6.5941 6.5941 6.6445 6.6445 6.9124 6.9124 7.0855 7.0855 7.1130 7.1130 7.1278 7.1278 13.8710 13.8710 14.9711 14.9711 15.0123 15.0123 15.0166 15.0166 k = 0.5000 0.5000 0.3333 ( 2884 PWs) bands (ev): -6.2770 -6.2770 -6.2657 -6.2657 -6.1708 -6.1708 -5.7334 -5.7334 -4.9451 -4.9451 -4.9286 -4.9286 -4.2746 -4.2746 -4.2529 -4.2529 -4.1353 -4.1353 1.3015 1.3015 1.9135 1.9135 1.9443 1.9443 1.9516 1.9516 6.5583 6.5583 6.5646 6.5646 6.6690 6.6690 6.7108 6.7108 6.9140 6.9140 7.0864 7.0864 7.1182 7.1182 7.1335 7.1335 13.7975 13.7975 14.9292 14.9292 14.9634 14.9634 14.9676 14.9676 k = 0.5000 0.5000 0.3472 ( 2876 PWs) bands (ev): -6.2757 -6.2757 -6.2660 -6.2660 -6.1702 -6.1702 -5.7272 -5.7272 -4.9438 -4.9438 -4.9282 -4.9282 -4.2679 -4.2679 -4.2485 -4.2485 -4.1303 -4.1303 1.2572 1.2572 1.8741 1.8741 1.9003 1.9003 1.9073 1.9073 6.6169 6.6169 6.6230 6.6230 6.7381 6.7381 6.7753 6.7753 6.9156 6.9156 7.0872 7.0872 7.1236 7.1236 7.1394 7.1394 13.7280 13.7280 14.8885 14.8885 14.9165 14.9165 14.9206 14.9206 k = 0.5000 0.5000 0.3611 ( 2884 PWs) bands (ev): -6.2746 -6.2746 -6.2664 -6.2664 -6.1696 -6.1696 -5.7214 -5.7214 -4.9425 -4.9425 -4.9281 -4.9281 -4.2616 -4.2616 -4.2444 -4.2444 -4.1255 -4.1255 1.2162 1.2162 1.8375 1.8375 1.8598 1.8598 1.8665 1.8665 6.6706 6.6706 6.6767 6.6767 6.8001 6.8001 6.8380 6.8380 6.9172 6.9172 7.0880 7.0880 7.1293 7.1293 7.1455 7.1455 13.6628 13.6628 14.8496 14.8496 14.8722 14.8722 14.8762 14.8762 k = 0.5000 0.5000 0.3750 ( 2876 PWs) bands (ev): -6.2735 -6.2735 -6.2667 -6.2667 -6.1689 -6.1689 -5.7160 -5.7160 -4.9412 -4.9412 -4.9279 -4.9279 -4.2557 -4.2557 -4.2407 -4.2407 -4.1209 -4.1209 1.1788 1.1788 1.8040 1.8040 1.8229 1.8229 1.8292 1.8292 6.7195 6.7195 6.7256 6.7256 6.8554 6.8554 6.8980 6.8980 6.9189 6.9189 7.0888 7.0888 7.1352 7.1352 7.1520 7.1520 13.6023 13.6023 14.8129 14.8129 14.8310 14.8310 14.8348 14.8348 k = 0.5000 0.5000 0.3889 ( 2876 PWs) bands (ev): -6.2725 -6.2725 -6.2670 -6.2670 -6.1684 -6.1684 -5.7110 -5.7110 -4.9399 -4.9399 -4.9279 -4.9279 -4.2502 -4.2502 -4.2373 -4.2373 -4.1166 -4.1166 1.1450 1.1450 1.7735 1.7735 1.7898 1.7898 1.7955 1.7955 6.7631 6.7631 6.7693 6.7693 6.9039 6.9039 6.9205 6.9205 6.9548 6.9548 7.0895 7.0895 7.1414 7.1414 7.1586 7.1586 13.5469 13.5469 14.7790 14.7790 14.7931 14.7931 14.7968 14.7968 k = 0.5000 0.5000 0.4028 ( 2868 PWs) bands (ev): -6.2716 -6.2716 -6.2672 -6.2672 -6.1678 -6.1678 -5.7065 -5.7065 -4.9386 -4.9386 -4.9279 -4.9279 -4.2452 -4.2452 -4.2343 -4.2343 -4.1127 -4.1127 1.1149 1.1149 1.7462 1.7462 1.7605 1.7605 1.7655 1.7655 6.8013 6.8013 6.8078 6.8078 6.9203 6.9203 6.9488 6.9488 7.0060 7.0060 7.0901 7.0901 7.1480 7.1480 7.1654 7.1654 13.4970 13.4970 14.7480 14.7480 14.7590 14.7590 14.7625 14.7625 k = 0.5000 0.5000 0.4167 ( 2860 PWs) bands (ev): -6.2708 -6.2708 -6.2674 -6.2674 -6.1673 -6.1673 -5.7026 -5.7026 -4.9373 -4.9373 -4.9280 -4.9280 -4.2407 -4.2407 -4.2318 -4.2318 -4.1093 -4.1093 1.0886 1.0886 1.7222 1.7222 1.7353 1.7353 1.7394 1.7394 6.8340 6.8340 6.8407 6.8407 6.9217 6.9217 6.9863 6.9863 7.0515 7.0515 7.0907 7.0907 7.1548 7.1548 7.1723 7.1723 13.4530 13.4530 14.7204 14.7204 14.7291 14.7291 14.7321 14.7321 k = 0.5000 0.5000 0.4306 ( 2852 PWs) bands (ev): -6.2702 -6.2702 -6.2676 -6.2676 -6.1669 -6.1669 -5.6992 -5.6992 -4.9360 -4.9360 -4.9282 -4.9282 -4.2368 -4.2368 -4.2296 -4.2296 -4.1062 -4.1062 1.0663 1.0663 1.7015 1.7015 1.7140 1.7140 1.7171 1.7171 6.8611 6.8611 6.8682 6.8682 6.9228 6.9228 7.0184 7.0184 7.0902 7.0902 7.0912 7.0912 7.1619 7.1619 7.1789 7.1789 13.4151 13.4151 14.6964 14.6964 14.7035 14.7035 14.7061 14.7061 k = 0.5000 0.5000 0.4444 ( 2860 PWs) bands (ev): -6.2696 -6.2696 -6.2678 -6.2678 -6.1666 -6.1666 -5.6964 -5.6964 -4.9349 -4.9349 -4.9286 -4.9286 -4.2335 -4.2335 -4.2279 -4.2279 -4.1037 -4.1037 1.0479 1.0479 1.6842 1.6842 1.6967 1.6967 1.6989 1.6989 6.8826 6.8826 6.8902 6.8902 6.9237 6.9237 7.0449 7.0449 7.0915 7.0915 7.1212 7.1212 7.1695 7.1695 7.1849 7.1849 13.3836 13.3836 14.6762 14.6762 14.6825 14.6825 14.6844 14.6844 k = 0.5000 0.5000 0.4583 ( 2860 PWs) bands (ev): -6.2692 -6.2692 -6.2680 -6.2680 -6.1663 -6.1663 -5.6942 -5.6942 -4.9338 -4.9338 -4.9291 -4.9291 -4.2307 -4.2307 -4.2267 -4.2267 -4.1017 -4.1017 1.0335 1.0335 1.6707 1.6707 1.6833 1.6833 1.6846 1.6846 6.8988 6.8988 6.9070 6.9070 6.9247 6.9247 7.0656 7.0656 7.0919 7.0919 7.1436 7.1436 7.1781 7.1781 7.1901 7.1901 13.3589 13.3589 14.6600 14.6600 14.6662 14.6662 14.6675 14.6675 k = 0.5000 0.5000 0.4722 ( 2872 PWs) bands (ev): -6.2689 -6.2689 -6.2681 -6.2681 -6.1661 -6.1661 -5.6926 -5.6926 -4.9328 -4.9328 -4.9297 -4.9297 -4.2286 -4.2286 -4.2260 -4.2260 -4.1003 -4.1003 1.0233 1.0233 1.6609 1.6609 1.6737 1.6737 1.6743 1.6743 6.9096 6.9096 6.9187 6.9187 6.9259 6.9259 7.0803 7.0803 7.0921 7.0921 7.1568 7.1568 7.1874 7.1874 7.1941 7.1941 13.3411 13.3411 14.6483 14.6483 14.6546 14.6546 14.6552 14.6552 k = 0.5000 0.5000 0.4861 ( 2872 PWs) bands (ev): -6.2686 -6.2686 -6.2683 -6.2683 -6.1660 -6.1660 -5.6917 -5.6917 -4.9319 -4.9319 -4.9303 -4.9303 -4.2271 -4.2271 -4.2258 -4.2258 -4.0994 -4.0994 1.0171 1.0171 1.6550 1.6550 1.6680 1.6680 1.6682 1.6682 6.9154 6.9154 6.9257 6.9257 6.9273 6.9273 7.0892 7.0892 7.0922 7.0922 7.1631 7.1631 7.1948 7.1948 7.1967 7.1967 13.3303 13.3303 14.6412 14.6412 14.6476 14.6476 14.6478 14.6478 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -6.2684 -6.2684 -6.2684 -6.2684 -6.1660 -6.1660 -5.6914 -5.6914 -4.9311 -4.9311 -4.9311 -4.9311 -4.2262 -4.2262 -4.2262 -4.2262 -4.0991 -4.0991 1.0150 1.0150 1.6530 1.6530 1.6661 1.6661 1.6661 1.6661 6.9170 6.9170 6.9280 6.9280 6.9280 6.9280 7.0922 7.0922 7.0922 7.0922 7.1650 7.1650 7.1975 7.1975 7.1975 7.1975 13.3267 13.3267 14.6388 14.6388 14.6453 14.6453 14.6453 14.6453 Writing output data file Al3GaN4.save init_run : 3.05s CPU 13.45s WALL ( 1 calls) electrons : 323.56s CPU 331.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.48s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 323.50s CPU 330.94s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.86s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.58s WALL ( 1 calls) newd : 0.63s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 278 calls) cegterg : 290.75s CPU 295.41s WALL ( 383 calls) Called by sum_band: Called by *egterg: h_psi : 131.47s CPU 136.93s WALL ( 6386 calls) s_psi : 22.44s CPU 22.98s WALL ( 6386 calls) g_psi : 0.29s CPU 0.33s WALL ( 5725 calls) cdiaghg : 104.97s CPU 104.83s WALL ( 6003 calls) cegterg:over : 27.47s CPU 25.88s WALL ( 5725 calls) cegterg:upda : 3.89s CPU 5.42s WALL ( 5725 calls) cegterg:last : 4.00s CPU 4.47s WALL ( 1217 calls) Called by h_psi: h_psi:vloc : 88.36s CPU 92.54s WALL ( 6386 calls) h_psi:vnl : 43.02s CPU 44.09s WALL ( 6386 calls) add_vuspsi : 15.37s CPU 17.39s WALL ( 6386 calls) General routines calbec : 27.63s CPU 26.64s WALL ( 6386 calls) fft : 0.34s CPU 1.46s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 86.05s CPU 88.14s WALL ( 754868 calls) interpolate : 0.09s CPU 0.10s WALL ( 4 calls) davcio : 0.03s CPU 0.83s WALL ( 556 calls) Parallel routines fft_scatter : 63.64s CPU 63.79s WALL ( 754891 calls) PWSCF : 6m 4.99s CPU 7m16.13s WALL This run was terminated on: 20:56:42 30Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=