Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 14:38:57 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./BaxAgSx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 23 7 1015 933 149 Max 26 24 8 1024 956 156 Sum 913 859 253 36697 34085 5383 bravais-lattice index = 14 lattice parameter (alat) = 8.2883 a.u. unit-cell volume = 808.7882 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.288338 celldm(2)= 1.000000 celldm(3)= 1.640219 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.640219 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.609675 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) Ag 11.00 107.86820 Ag( 1.00) 12 Sym. Ops., with 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0138562), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0277125), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0415687), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0554250), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.0692812), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.0831375), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.0969937), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1108499), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.1247062), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.1385624), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.1524187), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.1662749), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.1801312), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.1939874), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.2078437), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.2216999), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.2355561), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.2494124), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.2632686), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.2771249), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.2909811), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.3048374), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.3048374), wk = 0.0033003 k( 142) = ( 0.0119048 0.0068732 0.3048374), wk = 0.0033003 k( 143) = ( 0.0238095 0.0137464 0.3048374), wk = 0.0033003 k( 144) = ( 0.0357143 0.0206197 0.3048374), wk = 0.0033003 k( 145) = ( 0.0476191 0.0274929 0.3048374), wk = 0.0033003 k( 146) = ( 0.0595238 0.0343661 0.3048374), wk = 0.0033003 k( 147) = ( 0.0714286 0.0412393 0.3048374), wk = 0.0033003 k( 148) = ( 0.0833333 0.0481125 0.3048374), wk = 0.0033003 k( 149) = ( 0.0952381 0.0549857 0.3048374), wk = 0.0033003 k( 150) = ( 0.1071429 0.0618590 0.3048374), wk = 0.0033003 k( 151) = ( 0.1190476 0.0687322 0.3048374), wk = 0.0033003 k( 152) = ( 0.1309524 0.0756054 0.3048374), wk = 0.0033003 k( 153) = ( 0.1428571 0.0824786 0.3048374), wk = 0.0033003 k( 154) = ( 0.1547619 0.0893518 0.3048374), wk = 0.0033003 k( 155) = ( 0.1666667 0.0962250 0.3048374), wk = 0.0033003 k( 156) = ( 0.1785714 0.1030983 0.3048374), wk = 0.0033003 k( 157) = ( 0.1904762 0.1099715 0.3048374), wk = 0.0033003 k( 158) = ( 0.2023810 0.1168447 0.3048374), wk = 0.0033003 k( 159) = ( 0.2142857 0.1237179 0.3048374), wk = 0.0033003 k( 160) = ( 0.2261905 0.1305911 0.3048374), wk = 0.0033003 k( 161) = ( 0.2380952 0.1374644 0.3048374), wk = 0.0033003 k( 162) = ( 0.2500000 0.1443376 0.3048374), wk = 0.0033003 k( 163) = ( 0.2619048 0.1512108 0.3048374), wk = 0.0033003 k( 164) = ( 0.2738095 0.1580840 0.3048374), wk = 0.0033003 k( 165) = ( 0.2857143 0.1649572 0.3048374), wk = 0.0033003 k( 166) = ( 0.2976190 0.1718304 0.3048374), wk = 0.0033003 k( 167) = ( 0.3095238 0.1787037 0.3048374), wk = 0.0033003 k( 168) = ( 0.3214286 0.1855769 0.3048374), wk = 0.0033003 k( 169) = ( 0.3333333 0.1924501 0.3048374), wk = 0.0033003 k( 170) = ( 0.3452381 0.1993233 0.3048374), wk = 0.0033003 k( 171) = ( 0.3571429 0.2061965 0.3048374), wk = 0.0033003 k( 172) = ( 0.3690476 0.2130697 0.3048374), wk = 0.0033003 k( 173) = ( 0.3809524 0.2199430 0.3048374), wk = 0.0033003 k( 174) = ( 0.3928571 0.2268162 0.3048374), wk = 0.0033003 k( 175) = ( 0.4047619 0.2336894 0.3048374), wk = 0.0033003 k( 176) = ( 0.4166667 0.2405626 0.3048374), wk = 0.0033003 k( 177) = ( 0.4285714 0.2474358 0.3048374), wk = 0.0033003 k( 178) = ( 0.4404762 0.2543090 0.3048374), wk = 0.0033003 k( 179) = ( 0.4523810 0.2611823 0.3048374), wk = 0.0033003 k( 180) = ( 0.4642857 0.2680555 0.3048374), wk = 0.0033003 k( 181) = ( 0.4761905 0.2749287 0.3048374), wk = 0.0033003 k( 182) = ( 0.4880952 0.2818019 0.3048374), wk = 0.0033003 k( 183) = ( 0.5000000 0.2886751 0.3048374), wk = 0.0033003 k( 184) = ( 0.5000000 0.2886751 0.3048374), wk = 0.0033003 k( 185) = ( 0.4930556 0.3007033 0.3048374), wk = 0.0033003 k( 186) = ( 0.4861111 0.3127314 0.3048374), wk = 0.0033003 k( 187) = ( 0.4791667 0.3247595 0.3048374), wk = 0.0033003 k( 188) = ( 0.4722222 0.3367877 0.3048374), wk = 0.0033003 k( 189) = ( 0.4652778 0.3488158 0.3048374), wk = 0.0033003 k( 190) = ( 0.4583333 0.3608439 0.3048374), wk = 0.0033003 k( 191) = ( 0.4513889 0.3728720 0.3048374), wk = 0.0033003 k( 192) = ( 0.4444444 0.3849002 0.3048374), wk = 0.0033003 k( 193) = ( 0.4375000 0.3969283 0.3048374), wk = 0.0033003 k( 194) = ( 0.4305556 0.4089564 0.3048374), wk = 0.0033003 k( 195) = ( 0.4236111 0.4209846 0.3048374), wk = 0.0033003 k( 196) = ( 0.4166667 0.4330127 0.3048374), wk = 0.0033003 k( 197) = ( 0.4097222 0.4450408 0.3048374), wk = 0.0033003 k( 198) = ( 0.4027778 0.4570690 0.3048374), wk = 0.0033003 k( 199) = ( 0.3958333 0.4690971 0.3048374), wk = 0.0033003 k( 200) = ( 0.3888889 0.4811252 0.3048374), wk = 0.0033003 k( 201) = ( 0.3819444 0.4931534 0.3048374), wk = 0.0033003 k( 202) = ( 0.3750000 0.5051815 0.3048374), wk = 0.0033003 k( 203) = ( 0.3680556 0.5172096 0.3048374), wk = 0.0033003 k( 204) = ( 0.3611111 0.5292377 0.3048374), wk = 0.0033003 k( 205) = ( 0.3541667 0.5412659 0.3048374), wk = 0.0033003 k( 206) = ( 0.3472222 0.5532940 0.3048374), wk = 0.0033003 k( 207) = ( 0.3402778 0.5653221 0.3048374), wk = 0.0033003 k( 208) = ( 0.3333333 0.5773503 0.3048374), wk = 0.0033003 k( 209) = ( 0.3333333 0.5773503 0.3048374), wk = 0.0033003 k( 210) = ( 0.3263889 0.5653221 0.3048374), wk = 0.0033003 k( 211) = ( 0.3194444 0.5532940 0.3048374), wk = 0.0033003 k( 212) = ( 0.3125000 0.5412659 0.3048374), wk = 0.0033003 k( 213) = ( 0.3055556 0.5292378 0.3048374), wk = 0.0033003 k( 214) = ( 0.2986111 0.5172096 0.3048374), wk = 0.0033003 k( 215) = ( 0.2916667 0.5051815 0.3048374), wk = 0.0033003 k( 216) = ( 0.2847222 0.4931534 0.3048374), wk = 0.0033003 k( 217) = ( 0.2777778 0.4811252 0.3048374), wk = 0.0033003 k( 218) = ( 0.2708333 0.4690971 0.3048374), wk = 0.0033003 k( 219) = ( 0.2638889 0.4570690 0.3048374), wk = 0.0033003 k( 220) = ( 0.2569444 0.4450408 0.3048374), wk = 0.0033003 k( 221) = ( 0.2500000 0.4330127 0.3048374), wk = 0.0033003 k( 222) = ( 0.2430556 0.4209846 0.3048374), wk = 0.0033003 k( 223) = ( 0.2361111 0.4089564 0.3048374), wk = 0.0033003 k( 224) = ( 0.2291667 0.3969283 0.3048374), wk = 0.0033003 k( 225) = ( 0.2222222 0.3849002 0.3048374), wk = 0.0033003 k( 226) = ( 0.2152778 0.3728721 0.3048374), wk = 0.0033003 k( 227) = ( 0.2083333 0.3608439 0.3048374), wk = 0.0033003 k( 228) = ( 0.2013889 0.3488158 0.3048374), wk = 0.0033003 k( 229) = ( 0.1944444 0.3367876 0.3048374), wk = 0.0033003 k( 230) = ( 0.1875000 0.3247595 0.3048374), wk = 0.0033003 k( 231) = ( 0.1805556 0.3127314 0.3048374), wk = 0.0033003 k( 232) = ( 0.1736111 0.3007033 0.3048374), wk = 0.0033003 k( 233) = ( 0.1666667 0.2886751 0.3048374), wk = 0.0033003 k( 234) = ( 0.1597222 0.2766470 0.3048374), wk = 0.0033003 k( 235) = ( 0.1527778 0.2646189 0.3048374), wk = 0.0033003 k( 236) = ( 0.1458333 0.2525907 0.3048374), wk = 0.0033003 k( 237) = ( 0.1388889 0.2405626 0.3048374), wk = 0.0033003 k( 238) = ( 0.1319444 0.2285345 0.3048374), wk = 0.0033003 k( 239) = ( 0.1250000 0.2165064 0.3048374), wk = 0.0033003 k( 240) = ( 0.1180556 0.2044782 0.3048374), wk = 0.0033003 k( 241) = ( 0.1111111 0.1924501 0.3048374), wk = 0.0033003 k( 242) = ( 0.1041667 0.1804220 0.3048374), wk = 0.0033003 k( 243) = ( 0.0972222 0.1683938 0.3048374), wk = 0.0033003 k( 244) = ( 0.0902778 0.1563657 0.3048374), wk = 0.0033003 k( 245) = ( 0.0833333 0.1443376 0.3048374), wk = 0.0033003 k( 246) = ( 0.0763889 0.1323094 0.3048374), wk = 0.0033003 k( 247) = ( 0.0694444 0.1202813 0.3048374), wk = 0.0033003 k( 248) = ( 0.0625000 0.1082532 0.3048374), wk = 0.0033003 k( 249) = ( 0.0555556 0.0962251 0.3048374), wk = 0.0033003 k( 250) = ( 0.0486111 0.0841969 0.3048374), wk = 0.0033003 k( 251) = ( 0.0416667 0.0721688 0.3048374), wk = 0.0033003 k( 252) = ( 0.0347222 0.0601406 0.3048374), wk = 0.0033003 k( 253) = ( 0.0277778 0.0481125 0.3048374), wk = 0.0033003 k( 254) = ( 0.0208333 0.0360844 0.3048374), wk = 0.0033003 k( 255) = ( 0.0138889 0.0240563 0.3048374), wk = 0.0033003 k( 256) = ( 0.0069444 0.0120281 0.3048374), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.3048374), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.3048374), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.2909811), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.2771249), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.2632686), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.2494124), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.2355561), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.2216999), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.2078437), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.1939874), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.1801312), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.1662749), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.1524187), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.1385624), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.1247062), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 0.1108499), wk = 0.0033003 k( 273) = ( 0.5000000 0.2886751 0.0969937), wk = 0.0033003 k( 274) = ( 0.5000000 0.2886751 0.0831375), wk = 0.0033003 k( 275) = ( 0.5000000 0.2886751 0.0692812), wk = 0.0033003 k( 276) = ( 0.5000000 0.2886751 0.0554250), wk = 0.0033003 k( 277) = ( 0.5000000 0.2886751 0.0415687), wk = 0.0033003 k( 278) = ( 0.5000000 0.2886751 0.0277125), wk = 0.0033003 k( 279) = ( 0.5000000 0.2886751 0.0138562), wk = 0.0033003 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.0138562), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.0277125), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.0415687), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.0554250), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.0692812), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.0831375), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.0969937), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.1108499), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.1247062), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.1385624), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.1524187), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.1662749), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.1801312), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.1939874), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.2078437), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.2216999), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.2355561), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.2494124), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.2632686), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.2771249), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.2909811), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.3048374), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033003 k( 186) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033003 k( 187) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033003 k( 188) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033003 k( 189) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033003 k( 190) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033003 k( 191) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033003 k( 192) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033003 k( 193) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033003 k( 194) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033003 k( 195) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033003 k( 196) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 197) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033003 k( 198) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033003 k( 199) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033003 k( 200) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033003 k( 201) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033003 k( 202) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033003 k( 203) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033003 k( 204) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033003 k( 205) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033003 k( 206) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033003 k( 207) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033003 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 210) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033003 k( 211) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033003 k( 212) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033003 k( 213) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033003 k( 214) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033003 k( 215) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033003 k( 216) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033003 k( 217) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033003 k( 218) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033003 k( 219) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033003 k( 220) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033003 k( 221) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 222) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033003 k( 223) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033003 k( 224) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033003 k( 225) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033003 k( 226) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033003 k( 227) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033003 k( 228) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033003 k( 229) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033003 k( 230) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033003 k( 231) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033003 k( 232) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033003 k( 233) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033003 k( 234) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033003 k( 235) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033003 k( 236) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033003 k( 237) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033003 k( 238) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033003 k( 239) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033003 k( 240) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033003 k( 241) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033003 k( 242) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033003 k( 243) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033003 k( 244) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033003 k( 245) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033003 k( 246) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033003 k( 247) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033003 k( 248) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033003 k( 249) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033003 k( 250) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033003 k( 251) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033003 k( 252) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033003 k( 253) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033003 k( 254) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033003 k( 255) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033003 k( 256) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 259) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033003 k( 260) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0033003 k( 261) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033003 k( 267) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033003 k( 268) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033003 k( 269) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033003 k( 273) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033003 k( 274) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033003 k( 275) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033003 k( 276) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033003 k( 277) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033003 k( 278) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0033003 k( 279) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033003 k( 280) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 36697 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 34085 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 260, 52) NL pseudopotentials 0.34 Mb ( 130, 171) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1017) G-vector shells 0.00 Mb ( 494) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 260, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 171, 2, 52) The potential is recalculated from file : ./BaxAgSx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.1 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.5 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.5 secs Computing kpt #: 24 total cpu time spent up to now is 15.0 secs Computing kpt #: 25 total cpu time spent up to now is 15.5 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.5 secs Computing kpt #: 28 total cpu time spent up to now is 17.0 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.6 secs Computing kpt #: 32 total cpu time spent up to now is 19.2 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.9 secs Computing kpt #: 36 total cpu time spent up to now is 21.4 secs Computing kpt #: 37 total cpu time spent up to now is 22.0 secs Computing kpt #: 38 total cpu time spent up to now is 22.5 secs Computing kpt #: 39 total cpu time spent up to now is 23.0 secs Computing kpt #: 40 total cpu time spent up to now is 23.6 secs Computing kpt #: 41 total cpu time spent up to now is 24.1 secs Computing kpt #: 42 total cpu time spent up to now is 24.6 secs Computing kpt #: 43 total cpu time spent up to now is 25.2 secs Computing kpt #: 44 total cpu time spent up to now is 25.7 secs Computing kpt #: 45 total cpu time spent up to now is 26.3 secs Computing kpt #: 46 total cpu time spent up to now is 26.8 secs Computing kpt #: 47 total cpu time spent up to now is 27.4 secs Computing kpt #: 48 total cpu time spent up to now is 27.9 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.2 secs Computing kpt #: 51 total cpu time spent up to now is 29.9 secs Computing kpt #: 52 total cpu time spent up to now is 30.4 secs Computing kpt #: 53 total cpu time spent up to now is 30.9 secs Computing kpt #: 54 total cpu time spent up to now is 31.4 secs Computing kpt #: 55 total cpu time spent up to now is 31.8 secs Computing kpt #: 56 total cpu time spent up to now is 32.3 secs Computing kpt #: 57 total cpu time spent up to now is 32.8 secs Computing kpt #: 58 total cpu time spent up to now is 33.2 secs Computing kpt #: 59 total cpu time spent up to now is 33.6 secs Computing kpt #: 60 total cpu time spent up to now is 34.1 secs Computing kpt #: 61 total cpu time spent up to now is 34.5 secs Computing kpt #: 62 total cpu time spent up to now is 35.0 secs Computing kpt #: 63 total cpu time spent up to now is 35.4 secs Computing kpt #: 64 total cpu time spent up to now is 35.8 secs Computing kpt #: 65 total cpu time spent up to now is 36.3 secs Computing kpt #: 66 total cpu time spent up to now is 36.7 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.6 secs Computing kpt #: 69 total cpu time spent up to now is 38.0 secs Computing kpt #: 70 total cpu time spent up to now is 38.5 secs Computing kpt #: 71 total cpu time spent up to now is 38.9 secs Computing kpt #: 72 total cpu time spent up to now is 39.3 secs Computing kpt #: 73 total cpu time spent up to now is 39.7 secs Computing kpt #: 74 total cpu time spent up to now is 40.1 secs Computing kpt #: 75 total cpu time spent up to now is 40.6 secs Computing kpt #: 76 total cpu time spent up to now is 41.0 secs Computing kpt #: 77 total cpu time spent up to now is 41.4 secs Computing kpt #: 78 total cpu time spent up to now is 41.8 secs Computing kpt #: 79 total cpu time spent up to now is 42.2 secs Computing kpt #: 80 total cpu time spent up to now is 42.7 secs Computing kpt #: 81 total cpu time spent up to now is 43.1 secs Computing kpt #: 82 total cpu time spent up to now is 43.5 secs Computing kpt #: 83 total cpu time spent up to now is 44.0 secs Computing kpt #: 84 total cpu time spent up to now is 44.4 secs Computing kpt #: 85 total cpu time spent up to now is 44.9 secs Computing kpt #: 86 total cpu time spent up to now is 45.3 secs Computing kpt #: 87 total cpu time spent up to now is 45.8 secs Computing kpt #: 88 total cpu time spent up to now is 46.3 secs Computing kpt #: 89 total cpu time spent up to now is 46.8 secs Computing kpt #: 90 total cpu time spent up to now is 47.3 secs Computing kpt #: 91 total cpu time spent up to now is 47.8 secs Computing kpt #: 92 total cpu time spent up to now is 48.3 secs Computing kpt #: 93 total cpu time spent up to now is 48.7 secs Computing kpt #: 94 total cpu time spent up to now is 49.2 secs Computing kpt #: 95 total cpu time spent up to now is 49.7 secs Computing kpt #: 96 total cpu time spent up to now is 50.1 secs Computing kpt #: 97 total cpu time spent up to now is 50.6 secs Computing kpt #: 98 total cpu time spent up to now is 51.0 secs Computing kpt #: 99 total cpu time spent up to now is 51.5 secs Computing kpt #: 100 total cpu time spent up to now is 51.9 secs Computing kpt #: 101 total cpu time spent up to now is 52.4 secs Computing kpt #: 102 total cpu time spent up to now is 52.9 secs Computing kpt #: 103 total cpu time spent up to now is 53.3 secs Computing kpt #: 104 total cpu time spent up to now is 53.8 secs Computing kpt #: 105 total cpu time spent up to now is 54.3 secs Computing kpt #: 106 total cpu time spent up to now is 54.8 secs Computing kpt #: 107 total cpu time spent up to now is 55.3 secs Computing kpt #: 108 total cpu time spent up to now is 55.7 secs Computing kpt #: 109 total cpu time spent up to now is 56.2 secs Computing kpt #: 110 total cpu time spent up to now is 56.7 secs Computing kpt #: 111 total cpu time spent up to now is 57.2 secs Computing kpt #: 112 total cpu time spent up to now is 57.6 secs Computing kpt #: 113 total cpu time spent up to now is 58.1 secs Computing kpt #: 114 total cpu time spent up to now is 58.6 secs Computing kpt #: 115 total cpu time spent up to now is 59.0 secs Computing kpt #: 116 total cpu time spent up to now is 59.4 secs Computing kpt #: 117 total cpu time spent up to now is 59.9 secs Computing kpt #: 118 total cpu time spent up to now is 60.3 secs Computing kpt #: 119 total cpu time spent up to now is 60.7 secs Computing kpt #: 120 total cpu time spent up to now is 61.2 secs Computing kpt #: 121 total cpu time spent up to now is 61.6 secs Computing kpt #: 122 total cpu time spent up to now is 62.1 secs Computing kpt #: 123 total cpu time spent up to now is 62.5 secs Computing kpt #: 124 total cpu time spent up to now is 62.9 secs Computing kpt #: 125 total cpu time spent up to now is 63.4 secs Computing kpt #: 126 total cpu time spent up to now is 63.8 secs Computing kpt #: 127 total cpu time spent up to now is 64.3 secs Computing kpt #: 128 total cpu time spent up to now is 64.7 secs Computing kpt #: 129 total cpu time spent up to now is 65.2 secs Computing kpt #: 130 total cpu time spent up to now is 65.8 secs Computing kpt #: 131 total cpu time spent up to now is 66.3 secs Computing kpt #: 132 total cpu time spent up to now is 66.7 secs Computing kpt #: 133 total cpu time spent up to now is 67.2 secs Computing kpt #: 134 total cpu time spent up to now is 67.7 secs Computing kpt #: 135 total cpu time spent up to now is 68.2 secs Computing kpt #: 136 total cpu time spent up to now is 68.7 secs Computing kpt #: 137 total cpu time spent up to now is 69.2 secs Computing kpt #: 138 total cpu time spent up to now is 69.6 secs Computing kpt #: 139 total cpu time spent up to now is 70.1 secs Computing kpt #: 140 total cpu time spent up to now is 70.5 secs Computing kpt #: 141 total cpu time spent up to now is 70.9 secs Computing kpt #: 142 total cpu time spent up to now is 71.4 secs Computing kpt #: 143 total cpu time spent up to now is 71.8 secs Computing kpt #: 144 total cpu time spent up to now is 72.3 secs Computing kpt #: 145 total cpu time spent up to now is 72.7 secs Computing kpt #: 146 total cpu time spent up to now is 73.2 secs Computing kpt #: 147 total cpu time spent up to now is 73.6 secs Computing kpt #: 148 total cpu time spent up to now is 74.0 secs Computing kpt #: 149 total cpu time spent up to now is 74.4 secs Computing kpt #: 150 total cpu time spent up to now is 74.9 secs Computing kpt #: 151 total cpu time spent up to now is 75.3 secs Computing kpt #: 152 total cpu time spent up to now is 75.7 secs Computing kpt #: 153 total cpu time spent up to now is 76.1 secs Computing kpt #: 154 total cpu time spent up to now is 76.6 secs Computing kpt #: 155 total cpu time spent up to now is 77.0 secs Computing kpt #: 156 total cpu time spent up to now is 77.4 secs Computing kpt #: 157 total cpu time spent up to now is 77.9 secs Computing kpt #: 158 total cpu time spent up to now is 78.3 secs Computing kpt #: 159 total cpu time spent up to now is 78.7 secs Computing kpt #: 160 total cpu time spent up to now is 79.1 secs Computing kpt #: 161 total cpu time spent up to now is 79.6 secs Computing kpt #: 162 total cpu time spent up to now is 80.0 secs Computing kpt #: 163 total cpu time spent up to now is 80.4 secs Computing kpt #: 164 total cpu time spent up to now is 80.9 secs Computing kpt #: 165 total cpu time spent up to now is 81.3 secs Computing kpt #: 166 total cpu time spent up to now is 81.7 secs Computing kpt #: 167 total cpu time spent up to now is 82.1 secs Computing kpt #: 168 total cpu time spent up to now is 82.6 secs Computing kpt #: 169 total cpu time spent up to now is 83.0 secs Computing kpt #: 170 total cpu time spent up to now is 83.5 secs Computing kpt #: 171 total cpu time spent up to now is 83.9 secs Computing kpt #: 172 total cpu time spent up to now is 84.4 secs Computing kpt #: 173 total cpu time spent up to now is 84.8 secs Computing kpt #: 174 total cpu time spent up to now is 85.2 secs Computing kpt #: 175 total cpu time spent up to now is 85.7 secs Computing kpt #: 176 total cpu time spent up to now is 86.1 secs Computing kpt #: 177 total cpu time spent up to now is 86.5 secs Computing kpt #: 178 total cpu time spent up to now is 87.0 secs Computing kpt #: 179 total cpu time spent up to now is 87.4 secs Computing kpt #: 180 total cpu time spent up to now is 87.8 secs Computing kpt #: 181 total cpu time spent up to now is 88.3 secs Computing kpt #: 182 total cpu time spent up to now is 88.7 secs Computing kpt #: 183 total cpu time spent up to now is 89.1 secs Computing kpt #: 184 total cpu time spent up to now is 89.5 secs Computing kpt #: 185 total cpu time spent up to now is 89.9 secs Computing kpt #: 186 total cpu time spent up to now is 90.3 secs Computing kpt #: 187 total cpu time spent up to now is 90.8 secs Computing kpt #: 188 total cpu time spent up to now is 91.2 secs Computing kpt #: 189 total cpu time spent up to now is 91.6 secs Computing kpt #: 190 total cpu time spent up to now is 92.1 secs Computing kpt #: 191 total cpu time spent up to now is 92.5 secs Computing kpt #: 192 total cpu time spent up to now is 92.9 secs Computing kpt #: 193 total cpu time spent up to now is 93.4 secs Computing kpt #: 194 total cpu time spent up to now is 93.8 secs Computing kpt #: 195 total cpu time spent up to now is 94.2 secs Computing kpt #: 196 total cpu time spent up to now is 94.7 secs Computing kpt #: 197 total cpu time spent up to now is 95.1 secs Computing kpt #: 198 total cpu time spent up to now is 95.6 secs Computing kpt #: 199 total cpu time spent up to now is 96.0 secs Computing kpt #: 200 total cpu time spent up to now is 96.5 secs Computing kpt #: 201 total cpu time spent up to now is 96.9 secs Computing kpt #: 202 total cpu time spent up to now is 97.4 secs Computing kpt #: 203 total cpu time spent up to now is 97.9 secs Computing kpt #: 204 total cpu time spent up to now is 98.3 secs Computing kpt #: 205 total cpu time spent up to now is 98.7 secs Computing kpt #: 206 total cpu time spent up to now is 99.2 secs Computing kpt #: 207 total cpu time spent up to now is 99.6 secs Computing kpt #: 208 total cpu time spent up to now is 100.1 secs Computing kpt #: 209 total cpu time spent up to now is 100.5 secs Computing kpt #: 210 total cpu time spent up to now is 101.0 secs Computing kpt #: 211 total cpu time spent up to now is 101.4 secs Computing kpt #: 212 total cpu time spent up to now is 101.9 secs Computing kpt #: 213 total cpu time spent up to now is 102.3 secs Computing kpt #: 214 total cpu time spent up to now is 102.8 secs Computing kpt #: 215 total cpu time spent up to now is 103.2 secs Computing kpt #: 216 total cpu time spent up to now is 103.7 secs Computing kpt #: 217 total cpu time spent up to now is 104.1 secs Computing kpt #: 218 total cpu time spent up to now is 104.6 secs Computing kpt #: 219 total cpu time spent up to now is 105.0 secs Computing kpt #: 220 total cpu time spent up to now is 105.4 secs Computing kpt #: 221 total cpu time spent up to now is 105.9 secs Computing kpt #: 222 total cpu time spent up to now is 106.3 secs Computing kpt #: 223 total cpu time spent up to now is 106.7 secs Computing kpt #: 224 total cpu time spent up to now is 107.1 secs Computing kpt #: 225 total cpu time spent up to now is 107.6 secs Computing kpt #: 226 total cpu time spent up to now is 108.0 secs Computing kpt #: 227 total cpu time spent up to now is 108.4 secs Computing kpt #: 228 total cpu time spent up to now is 108.8 secs Computing kpt #: 229 total cpu time spent up to now is 109.2 secs Computing kpt #: 230 total cpu time spent up to now is 109.7 secs Computing kpt #: 231 total cpu time spent up to now is 110.1 secs Computing kpt #: 232 total cpu time spent up to now is 110.5 secs Computing kpt #: 233 total cpu time spent up to now is 110.9 secs Computing kpt #: 234 total cpu time spent up to now is 111.4 secs Computing kpt #: 235 total cpu time spent up to now is 111.8 secs Computing kpt #: 236 total cpu time spent up to now is 112.2 secs Computing kpt #: 237 total cpu time spent up to now is 112.6 secs Computing kpt #: 238 total cpu time spent up to now is 113.1 secs Computing kpt #: 239 total cpu time spent up to now is 113.5 secs Computing kpt #: 240 total cpu time spent up to now is 114.0 secs Computing kpt #: 241 total cpu time spent up to now is 114.4 secs Computing kpt #: 242 total cpu time spent up to now is 114.8 secs Computing kpt #: 243 total cpu time spent up to now is 115.3 secs Computing kpt #: 244 total cpu time spent up to now is 115.7 secs Computing kpt #: 245 total cpu time spent up to now is 116.2 secs Computing kpt #: 246 total cpu time spent up to now is 116.6 secs Computing kpt #: 247 total cpu time spent up to now is 117.1 secs Computing kpt #: 248 total cpu time spent up to now is 117.5 secs Computing kpt #: 249 total cpu time spent up to now is 117.9 secs Computing kpt #: 250 total cpu time spent up to now is 118.4 secs Computing kpt #: 251 total cpu time spent up to now is 118.8 secs Computing kpt #: 252 total cpu time spent up to now is 119.3 secs Computing kpt #: 253 total cpu time spent up to now is 119.7 secs Computing kpt #: 254 total cpu time spent up to now is 120.2 secs Computing kpt #: 255 total cpu time spent up to now is 120.6 secs Computing kpt #: 256 total cpu time spent up to now is 121.0 secs Computing kpt #: 257 total cpu time spent up to now is 121.5 secs Computing kpt #: 258 total cpu time spent up to now is 121.9 secs Computing kpt #: 259 total cpu time spent up to now is 122.3 secs Computing kpt #: 260 total cpu time spent up to now is 122.7 secs Computing kpt #: 261 total cpu time spent up to now is 123.2 secs Computing kpt #: 262 total cpu time spent up to now is 123.6 secs Computing kpt #: 263 total cpu time spent up to now is 124.0 secs Computing kpt #: 264 total cpu time spent up to now is 124.4 secs Computing kpt #: 265 total cpu time spent up to now is 124.8 secs Computing kpt #: 266 total cpu time spent up to now is 125.3 secs Computing kpt #: 267 total cpu time spent up to now is 125.7 secs Computing kpt #: 268 total cpu time spent up to now is 126.1 secs Computing kpt #: 269 total cpu time spent up to now is 126.6 secs Computing kpt #: 270 total cpu time spent up to now is 127.0 secs Computing kpt #: 271 total cpu time spent up to now is 127.4 secs Computing kpt #: 272 total cpu time spent up to now is 127.9 secs Computing kpt #: 273 total cpu time spent up to now is 128.3 secs Computing kpt #: 274 total cpu time spent up to now is 128.7 secs Computing kpt #: 275 total cpu time spent up to now is 129.2 secs Computing kpt #: 276 total cpu time spent up to now is 129.6 secs Computing kpt #: 277 total cpu time spent up to now is 130.1 secs Computing kpt #: 278 total cpu time spent up to now is 130.5 secs Computing kpt #: 279 total cpu time spent up to now is 131.1 secs Computing kpt #: 280 total cpu time spent up to now is 131.6 secs Computing kpt #: 281 total cpu time spent up to now is 132.1 secs Computing kpt #: 282 total cpu time spent up to now is 132.5 secs Computing kpt #: 283 total cpu time spent up to now is 133.0 secs Computing kpt #: 284 total cpu time spent up to now is 133.4 secs Computing kpt #: 285 total cpu time spent up to now is 133.9 secs Computing kpt #: 286 total cpu time spent up to now is 134.3 secs Computing kpt #: 287 total cpu time spent up to now is 134.8 secs Computing kpt #: 288 total cpu time spent up to now is 135.2 secs Computing kpt #: 289 total cpu time spent up to now is 135.7 secs Computing kpt #: 290 total cpu time spent up to now is 136.2 secs Computing kpt #: 291 total cpu time spent up to now is 136.7 secs Computing kpt #: 292 total cpu time spent up to now is 137.2 secs Computing kpt #: 293 total cpu time spent up to now is 137.6 secs Computing kpt #: 294 total cpu time spent up to now is 138.1 secs Computing kpt #: 295 total cpu time spent up to now is 138.6 secs Computing kpt #: 296 total cpu time spent up to now is 139.1 secs Computing kpt #: 297 total cpu time spent up to now is 139.6 secs Computing kpt #: 298 total cpu time spent up to now is 140.0 secs Computing kpt #: 299 total cpu time spent up to now is 140.5 secs Computing kpt #: 300 total cpu time spent up to now is 141.0 secs Computing kpt #: 301 total cpu time spent up to now is 141.5 secs Computing kpt #: 302 total cpu time spent up to now is 141.9 secs Computing kpt #: 303 total cpu time spent up to now is 142.4 secs ethr = 2.27E-08, avg # of iterations = 17.7 total cpu time spent up to now is 142.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6515 -5.6515 -4.3702 -4.3702 -4.2141 -4.2141 -3.2747 -3.2747 -2.5263 -2.5263 3.5439 3.5439 3.6278 3.6278 3.7002 3.7002 3.8616 3.8616 3.8638 3.8638 3.9400 3.9400 4.3609 4.3609 4.6416 4.6416 5.1676 5.1676 5.3581 5.3581 5.3702 5.3702 7.0508 7.0508 7.1944 7.1944 7.7989 7.7989 7.9369 7.9369 7.9547 7.9547 8.8703 8.8703 10.6981 10.6981 11.3050 11.3050 11.8149 11.8149 k = 0.0119 0.0069-0.0000 ( 4251 PWs) bands (ev): -18.7776 -18.7776 -5.6515 -5.6515 -4.3726 -4.3726 -4.2120 -4.2120 -3.2743 -3.2743 -2.5271 -2.5271 3.5436 3.5436 3.6269 3.6269 3.7011 3.7011 3.8600 3.8600 3.8669 3.8669 3.9408 3.9408 4.3612 4.3612 4.6417 4.6417 5.1672 5.1672 5.3580 5.3580 5.3702 5.3702 7.0484 7.0484 7.1917 7.1917 7.8002 7.8002 7.9310 7.9310 7.9500 7.9500 8.8796 8.8796 10.6947 10.6947 11.3070 11.3070 11.8202 11.8202 k = 0.0238 0.0137-0.0000 ( 4255 PWs) bands (ev): -18.7774 -18.7774 -5.6512 -5.6512 -4.3794 -4.3794 -4.2062 -4.2062 -3.2729 -3.2729 -2.5294 -2.5294 3.5430 3.5430 3.6243 3.6243 3.7039 3.7039 3.8586 3.8586 3.8727 3.8727 3.9429 3.9429 4.3620 4.3620 4.6421 4.6421 5.1658 5.1658 5.3576 5.3576 5.3705 5.3705 7.0408 7.0408 7.1843 7.1843 7.8038 7.8038 7.9081 7.9081 7.9427 7.9427 8.9065 8.9065 10.6853 10.6853 11.3129 11.3129 11.8346 11.8346 k = 0.0357 0.0206-0.0000 ( 4251 PWs) bands (ev): -18.7771 -18.7771 -5.6509 -5.6509 -4.3897 -4.3897 -4.1975 -4.1975 -3.2707 -3.2707 -2.5333 -2.5333 3.5419 3.5419 3.6206 3.6206 3.7082 3.7082 3.8579 3.8579 3.8805 3.8805 3.9464 3.9464 4.3635 4.3635 4.6428 4.6428 5.1636 5.1636 5.3568 5.3568 5.3711 5.3711 7.0278 7.0278 7.1731 7.1731 7.8082 7.8082 7.8688 7.8688 7.9353 7.9353 8.9483 8.9483 10.6713 10.6713 11.3225 11.3225 11.8549 11.8549 k = 0.0476 0.0275-0.0000 ( 4247 PWs) bands (ev): -18.7766 -18.7766 -5.6504 -5.6504 -4.4023 -4.4023 -4.1870 -4.1870 -3.2675 -3.2675 -2.5387 -2.5387 3.5402 3.5402 3.6163 3.6163 3.7137 3.7137 3.8578 3.8578 3.8905 3.8905 3.9514 3.9514 4.3654 4.3654 4.6438 4.6438 5.1606 5.1606 5.3555 5.3555 5.3720 5.3720 7.0087 7.0087 7.1599 7.1599 7.8014 7.8014 7.8289 7.8289 7.9263 7.9263 9.0014 9.0014 10.6550 10.6550 11.3355 11.3355 11.8788 11.8788 k = 0.0595 0.0344-0.0000 ( 4243 PWs) bands (ev): -18.7761 -18.7761 -5.6499 -5.6499 -4.4166 -4.4166 -4.1754 -4.1754 -3.2635 -3.2635 -2.5456 -2.5456 3.5377 3.5377 3.6118 3.6118 3.7201 3.7201 3.8582 3.8582 3.9023 3.9023 3.9579 3.9579 4.3679 4.3679 4.6451 4.6451 5.1570 5.1570 5.3537 5.3537 5.3733 5.3733 6.9834 6.9834 7.1458 7.1458 7.7481 7.7481 7.8260 7.8260 7.9153 7.9153 9.0629 9.0629 10.6386 10.6386 11.3516 11.3516 11.9065 11.9065 k = 0.0714 0.0412-0.0000 ( 4247 PWs) bands (ev): -18.7754 -18.7754 -5.6493 -5.6493 -4.4317 -4.4317 -4.1633 -4.1633 -3.2587 -3.2587 -2.5539 -2.5539 3.5344 3.5344 3.6076 3.6076 3.7272 3.7272 3.8591 3.8591 3.9156 3.9156 3.9659 3.9659 4.3709 4.3709 4.6467 4.6467 5.1528 5.1528 5.3513 5.3513 5.3749 5.3749 6.9522 6.9522 7.1317 7.1317 7.6808 7.6808 7.8289 7.8289 7.9022 7.9022 9.1300 9.1300 10.6242 10.6242 11.3704 11.3704 11.9384 11.9384 k = 0.0833 0.0481-0.0000 ( 4245 PWs) bands (ev): -18.7746 -18.7746 -5.6487 -5.6487 -4.4473 -4.4473 -4.1512 -4.1512 -3.2531 -3.2531 -2.5636 -2.5636 3.5302 3.5302 3.6042 3.6042 3.7348 3.7348 3.8606 3.8606 3.9298 3.9298 3.9759 3.9759 4.3742 4.3742 4.6487 4.6487 5.1483 5.1483 5.3484 5.3484 5.3767 5.3767 6.9159 6.9159 7.1178 7.1178 7.6083 7.6083 7.8296 7.8296 7.8872 7.8872 9.2009 9.2009 10.6135 10.6135 11.3916 11.3916 11.9747 11.9747 k = 0.0952 0.0550-0.0000 ( 4241 PWs) bands (ev): -18.7737 -18.7737 -5.6481 -5.6481 -4.4630 -4.4630 -4.1394 -4.1394 -3.2468 -3.2468 -2.5746 -2.5746 3.5250 3.5250 3.6019 3.6019 3.7427 3.7427 3.8627 3.8627 3.9442 3.9442 3.9882 3.9882 4.3779 4.3779 4.6511 4.6511 5.1435 5.1435 5.3450 5.3450 5.3787 5.3787 6.8755 6.8755 7.1041 7.1041 7.5324 7.5324 7.8267 7.8267 7.8704 7.8704 9.2739 9.2739 10.6079 10.6079 11.4148 11.4148 12.0152 12.0152 k = 0.1071 0.0619-0.0000 ( 4245 PWs) bands (ev): -18.7727 -18.7727 -5.6476 -5.6476 -4.4784 -4.4784 -4.1279 -4.1279 -3.2398 -3.2398 -2.5869 -2.5869 3.5190 3.5190 3.6006 3.6006 3.7507 3.7507 3.8655 3.8655 3.9582 3.9582 4.0033 4.0033 4.3819 4.3819 4.6540 4.6540 5.1387 5.1387 5.3411 5.3411 5.3808 5.3808 6.8317 6.8317 7.0902 7.0902 7.4544 7.4544 7.8191 7.8191 7.8521 7.8521 9.3480 9.3480 10.6082 10.6082 11.4398 11.4398 12.0599 12.0599 k = 0.1190 0.0687-0.0000 ( 4241 PWs) bands (ev): -18.7716 -18.7716 -5.6473 -5.6473 -4.4933 -4.4933 -4.1170 -4.1170 -3.2322 -3.2322 -2.6002 -2.6002 3.5124 3.5124 3.6006 3.6006 3.7585 3.7585 3.8691 3.8691 3.9714 3.9714 4.0210 4.0210 4.3862 4.3862 4.6573 4.6573 5.1339 5.1339 5.3369 5.3369 5.3831 5.3831 6.7856 6.7856 7.0760 7.0760 7.3752 7.3752 7.8063 7.8063 7.8327 7.8327 9.4223 9.4223 10.6146 10.6146 11.4662 11.4662 12.1083 12.1083 k = 0.1310 0.0756-0.0000 ( 4237 PWs) bands (ev): -18.7704 -18.7704 -5.6472 -5.6472 -4.5076 -4.5076 -4.1068 -4.1068 -3.2242 -3.2242 -2.6146 -2.6146 3.5054 3.5054 3.6016 3.6016 3.7660 3.7660 3.8734 3.8734 3.9840 3.9840 4.0410 4.0410 4.3907 4.3907 4.6610 4.6610 5.1294 5.1294 5.3323 5.3323 5.3853 5.3853 6.7375 6.7375 7.0614 7.0614 7.2955 7.2955 7.7882 7.7882 7.8120 7.8120 9.4961 9.4961 10.6267 10.6267 11.4941 11.4941 12.1598 12.1598 k = 0.1429 0.0825-0.0000 ( 4237 PWs) bands (ev): -18.7692 -18.7692 -5.6474 -5.6474 -4.5210 -4.5210 -4.0972 -4.0972 -3.2158 -3.2158 -2.6299 -2.6299 3.4982 3.4982 3.6035 3.6035 3.7731 3.7731 3.8786 3.8786 3.9964 3.9964 4.0627 4.0627 4.3955 4.3955 4.6653 4.6653 5.1253 5.1253 5.3273 5.3273 5.3876 5.3876 6.6880 6.6880 7.0462 7.0462 7.2159 7.2159 7.7655 7.7655 7.7894 7.7894 9.5690 9.5690 10.6439 10.6439 11.5236 11.5236 12.2137 12.2137 k = 0.1548 0.0894-0.0000 ( 4241 PWs) bands (ev): -18.7678 -18.7678 -5.6480 -5.6480 -4.5334 -4.5334 -4.0883 -4.0883 -3.2073 -3.2073 -2.6459 -2.6459 3.4913 3.4913 3.6063 3.6063 3.7796 3.7796 3.8845 3.8845 4.0088 4.0088 4.0853 4.0853 4.4004 4.4004 4.6700 4.6700 5.1216 5.1216 5.3221 5.3221 5.3900 5.3900 6.6374 6.6374 7.0302 7.0302 7.1372 7.1372 7.7388 7.7388 7.7643 7.7643 9.6410 9.6410 10.6646 10.6646 11.5550 11.5550 12.2690 12.2690 k = 0.1667 0.0962-0.0000 ( 4241 PWs) bands (ev): -18.7664 -18.7664 -5.6489 -5.6489 -4.5447 -4.5447 -4.0801 -4.0801 -3.1988 -3.1988 -2.6625 -2.6625 3.4847 3.4847 3.6098 3.6098 3.7855 3.7855 3.8910 3.8910 4.0214 4.0214 4.1083 4.1083 4.4055 4.4055 4.6752 4.6752 5.1186 5.1186 5.3168 5.3168 5.3925 5.3925 6.5857 6.5857 7.0133 7.0133 7.0602 7.0602 7.7085 7.7085 7.7370 7.7370 9.7119 9.7119 10.6874 10.6874 11.5892 11.5892 12.3242 12.3242 k = 0.1786 0.1031-0.0000 ( 4253 PWs) bands (ev): -18.7649 -18.7649 -5.6503 -5.6503 -4.5546 -4.5546 -4.0726 -4.0726 -3.1906 -3.1906 -2.6793 -2.6793 3.4786 3.4786 3.6139 3.6139 3.7908 3.7908 3.8980 3.8980 4.0343 4.0343 4.1314 4.1314 4.4108 4.4108 4.6808 4.6808 5.1163 5.1163 5.3113 5.3113 5.3952 5.3952 6.5331 6.5331 6.9816 6.9816 6.9994 6.9994 7.6744 7.6744 7.7081 7.7081 9.7817 9.7817 10.7103 10.7103 11.6271 11.6271 12.3785 12.3785 k = 0.1905 0.1100-0.0000 ( 4251 PWs) bands (ev): -18.7633 -18.7633 -5.6521 -5.6521 -4.5633 -4.5633 -4.0657 -4.0657 -3.1829 -3.1829 -2.6962 -2.6962 3.4733 3.4733 3.6186 3.6186 3.7957 3.7957 3.9053 3.9053 4.0476 4.0476 4.1540 4.1540 4.4163 4.4163 4.6868 4.6868 5.1147 5.1147 5.3059 5.3059 5.3981 5.3981 6.4796 6.4796 6.9106 6.9106 6.9798 6.9798 7.6362 7.6362 7.6783 7.6783 9.8507 9.8507 10.7314 10.7314 11.6697 11.6697 12.4329 12.4329 k = 0.2024 0.1168-0.0000 ( 4255 PWs) bands (ev): -18.7617 -18.7617 -5.6545 -5.6545 -4.5704 -4.5704 -4.0593 -4.0593 -3.1761 -3.1761 -2.7129 -2.7129 3.4689 3.4689 3.6238 3.6238 3.8002 3.8002 3.9127 3.9127 4.0612 4.0612 4.1758 4.1758 4.4221 4.4221 4.6931 4.6931 5.1139 5.1139 5.3006 5.3006 5.4015 5.4015 6.4251 6.4251 6.8414 6.8414 6.9611 6.9611 7.5942 7.5942 7.6481 7.6481 9.9188 9.9188 10.7493 10.7493 11.7178 11.7178 12.4891 12.4891 k = 0.2143 0.1237-0.0000 ( 4259 PWs) bands (ev): -18.7601 -18.7601 -5.6575 -5.6575 -4.5761 -4.5761 -4.0535 -4.0535 -3.1705 -3.1705 -2.7289 -2.7289 3.4655 3.4655 3.6293 3.6293 3.8044 3.8044 3.9200 3.9200 4.0751 4.0751 4.1965 4.1965 4.4281 4.4281 4.6994 4.6994 5.1136 5.1136 5.2957 5.2957 5.4055 5.4055 6.3696 6.3696 6.7758 6.7758 6.9418 6.9418 7.5488 7.5488 7.6177 7.6177 9.9862 9.9862 10.7631 10.7631 11.7718 11.7718 12.5481 12.5481 k = 0.2262 0.1306-0.0000 ( 4267 PWs) bands (ev): -18.7584 -18.7584 -5.6610 -5.6610 -4.5802 -4.5802 -4.0480 -4.0480 -3.1665 -3.1665 -2.7440 -2.7440 3.4632 3.4632 3.6351 3.6351 3.8084 3.8084 3.9270 3.9270 4.0892 4.0892 4.2160 4.2160 4.4343 4.4343 4.7057 4.7057 5.1139 5.1139 5.2912 5.2912 5.4101 5.4101 6.3133 6.3133 6.7146 6.7146 6.9218 6.9218 7.5004 7.5004 7.5873 7.5873 10.0527 10.0527 10.7724 10.7724 11.8314 11.8314 12.6096 12.6096 k = 0.2381 0.1375-0.0000 ( 4263 PWs) bands (ev): -18.7568 -18.7568 -5.6650 -5.6650 -4.5828 -4.5828 -4.0429 -4.0429 -3.1645 -3.1645 -2.7576 -2.7576 3.4622 3.4622 3.6411 3.6411 3.8124 3.8124 3.9335 3.9335 4.1034 4.1034 4.2342 4.2342 4.4408 4.4408 4.7118 4.7118 5.1142 5.1142 5.2873 5.2873 5.4158 5.4158 6.2563 6.2563 6.6581 6.6581 6.9011 6.9011 7.4495 7.4495 7.5569 7.5569 10.1181 10.1181 10.7779 10.7779 11.8957 11.8957 12.6725 12.6725 k = 0.2500 0.1443-0.0000 ( 4267 PWs) bands (ev): -18.7551 -18.7551 -5.6697 -5.6697 -4.5839 -4.5839 -4.0381 -4.0381 -3.1651 -3.1651 -2.7694 -2.7694 3.4625 3.4625 3.6472 3.6472 3.8164 3.8164 3.9394 3.9394 4.1175 4.1175 4.2510 4.2510 4.4474 4.4474 4.7174 4.7174 5.1144 5.1144 5.2842 5.2842 5.4224 5.4224 6.1990 6.1990 6.6064 6.6064 6.8797 6.8797 7.3967 7.3967 7.5269 7.5269 10.1819 10.1819 10.7805 10.7805 11.9635 11.9635 12.7360 12.7360 k = 0.2619 0.1512-0.0000 ( 4258 PWs) bands (ev): -18.7534 -18.7534 -5.6748 -5.6748 -4.5835 -4.5835 -4.0335 -4.0335 -3.1684 -3.1684 -2.7790 -2.7790 3.4642 3.4642 3.6533 3.6533 3.8207 3.8207 3.9446 3.9446 4.1313 4.1313 4.2666 4.2666 4.4541 4.4541 4.7224 4.7224 5.1141 5.1141 5.2819 5.2819 5.4302 5.4302 6.1423 6.1423 6.5598 6.5598 6.8575 6.8575 7.3423 7.3423 7.4974 7.4974 10.2432 10.2432 10.7817 10.7817 12.0332 12.0332 12.7995 12.7995 k = 0.2738 0.1581-0.0000 ( 4264 PWs) bands (ev): -18.7517 -18.7517 -5.6803 -5.6803 -4.5817 -4.5817 -4.0289 -4.0289 -3.1749 -3.1749 -2.7862 -2.7862 3.4674 3.4674 3.6592 3.6592 3.8253 3.8253 3.9489 3.9489 4.1447 4.1447 4.2811 4.2811 4.4608 4.4608 4.7266 4.7266 5.1127 5.1127 5.2806 5.2806 5.4390 5.4390 6.0869 6.0869 6.5179 6.5179 6.8346 6.8346 7.2868 7.2868 7.4685 7.4685 10.3009 10.3009 10.7838 10.7838 12.1029 12.1029 12.8635 12.8635 k = 0.2857 0.1650-0.0000 ( 4270 PWs) bands (ev): -18.7500 -18.7500 -5.6863 -5.6863 -4.5786 -4.5786 -4.0243 -4.0243 -3.1845 -3.1845 -2.7908 -2.7908 3.4720 3.4720 3.6649 3.6649 3.8302 3.8302 3.9524 3.9524 4.1574 4.1574 4.2947 4.2947 4.4672 4.4672 4.7298 4.7298 5.1100 5.1100 5.2802 5.2802 5.4484 5.4484 6.0341 6.0341 6.4806 6.4806 6.8109 6.8109 7.2305 7.2305 7.4405 7.4405 10.3530 10.3530 10.7892 10.7892 12.1710 12.1710 12.9288 12.9288 k = 0.2976 0.1718-0.0000 ( 4266 PWs) bands (ev): -18.7484 -18.7484 -5.6926 -5.6926 -4.5743 -4.5743 -4.0196 -4.0196 -3.1972 -3.1972 -2.7930 -2.7930 3.4781 3.4781 3.6702 3.6702 3.8355 3.8355 3.9550 3.9550 4.1694 4.1694 4.3076 4.3076 4.4734 4.4734 4.7321 4.7321 5.1057 5.1057 5.2809 5.2809 5.4577 5.4577 5.9853 5.9853 6.4478 6.4478 6.7865 6.7865 7.1737 7.1737 7.4136 7.4136 10.3973 10.3973 10.8008 10.8008 12.2357 12.2357 12.9960 12.9960 k = 0.3095 0.1787-0.0000 ( 4258 PWs) bands (ev): -18.7468 -18.7468 -5.6992 -5.6992 -4.5689 -4.5689 -4.0147 -4.0147 -3.2128 -3.2128 -2.7929 -2.7929 3.4858 3.4858 3.6752 3.6752 3.8414 3.8414 3.9567 3.9567 4.1805 4.1805 4.3201 4.3201 4.4790 4.4790 4.7333 4.7333 5.0998 5.0998 5.2824 5.2824 5.4657 5.4657 5.9423 5.9423 6.4191 6.4191 6.7615 6.7615 7.1168 7.1168 7.3880 7.3880 10.4315 10.4315 10.8215 10.8215 12.2953 12.2953 13.0655 13.0655 k = 0.3214 0.1856-0.0000 ( 4258 PWs) bands (ev): -18.7452 -18.7452 -5.7059 -5.7059 -4.5627 -4.5627 -4.0095 -4.0095 -3.2309 -3.2309 -2.7909 -2.7909 3.4949 3.4949 3.6797 3.6797 3.8476 3.8476 3.9574 3.9574 4.1905 4.1905 4.3324 4.3324 4.4841 4.4841 4.7335 4.7335 5.0922 5.0922 5.2847 5.2847 5.4709 5.4709 5.9068 5.9068 6.3942 6.3942 6.7358 6.7358 7.0601 7.0601 7.3637 7.3637 10.4544 10.4544 10.8526 10.8526 12.3483 12.3483 13.1376 13.1376 k = 0.3333 0.1925-0.0000 ( 4258 PWs) bands (ev): -18.7437 -18.7437 -5.7127 -5.7127 -4.5557 -4.5557 -4.0039 -4.0039 -3.2510 -3.2510 -2.7872 -2.7872 3.5055 3.5055 3.6837 3.6837 3.8543 3.8543 3.9572 3.9572 4.1994 4.1994 4.3444 4.3444 4.4886 4.4886 4.7326 4.7326 5.0828 5.0828 5.2878 5.2878 5.4717 5.4717 5.8807 5.8807 6.3730 6.3730 6.7097 6.7097 7.0038 7.0038 7.3409 7.3409 10.4669 10.4669 10.8935 10.8935 12.3933 12.3933 13.2123 13.2123 k = 0.3452 0.1993-0.0000 ( 4254 PWs) bands (ev): -18.7423 -18.7423 -5.7196 -5.7196 -4.5481 -4.5481 -3.9979 -3.9979 -3.2728 -3.2728 -2.7824 -2.7824 3.5174 3.5174 3.6871 3.6871 3.8612 3.8612 3.9562 3.9562 4.2072 4.2072 4.3563 4.3563 4.4922 4.4922 4.7306 4.7306 5.0719 5.0719 5.2916 5.2916 5.4670 5.4670 5.8653 5.8653 6.3553 6.3553 6.6833 6.6833 6.9482 6.9482 7.3198 7.3198 10.4711 10.4711 10.9422 10.9422 12.4293 12.4293 13.2895 13.2895 k = 0.3571 0.2062-0.0000 ( 4254 PWs) bands (ev): -18.7409 -18.7409 -5.7263 -5.7263 -4.5402 -4.5402 -3.9914 -3.9914 -3.2958 -3.2958 -2.7768 -2.7768 3.5307 3.5307 3.6900 3.6900 3.8683 3.8683 3.9545 3.9545 4.2138 4.2138 4.3679 4.3679 4.4952 4.4952 4.7276 4.7276 5.0595 5.0595 5.2961 5.2961 5.4567 5.4567 5.8606 5.8606 6.3408 6.3408 6.6569 6.6569 6.8935 6.8935 7.3003 7.3003 10.4695 10.4695 10.9960 10.9960 12.4556 12.4556 13.3686 13.3686 k = 0.3690 0.2131-0.0000 ( 4250 PWs) bands (ev): -18.7396 -18.7396 -5.7328 -5.7328 -4.5320 -4.5320 -3.9843 -3.9843 -3.3196 -3.3196 -2.7707 -2.7707 3.5453 3.5453 3.6925 3.6925 3.8752 3.8752 3.9523 3.9523 4.2192 4.2192 4.3792 4.3792 4.4974 4.4974 4.7237 4.7237 5.0460 5.0460 5.3012 5.3012 5.4421 5.4421 5.8654 5.8654 6.3294 6.3294 6.6305 6.6305 6.8399 6.8399 7.2825 7.2825 10.4644 10.4644 11.0527 11.0527 12.4721 12.4721 13.4489 13.4489 k = 0.3810 0.2199-0.0000 ( 4254 PWs) bands (ev): -18.7384 -18.7384 -5.7391 -5.7391 -4.5239 -4.5239 -3.9768 -3.9768 -3.3437 -3.3437 -2.7643 -2.7643 3.5608 3.5608 3.6945 3.6945 3.8814 3.8814 3.9500 3.9500 4.2236 4.2236 4.3900 4.3900 4.4992 4.4992 4.7188 4.7188 5.0315 5.0315 5.3066 5.3066 5.4250 5.4250 5.8775 5.8775 6.3208 6.3208 6.6047 6.6047 6.7877 6.7877 7.2664 7.2664 10.4571 10.4571 11.1104 11.1104 12.4793 12.4793 13.5278 13.5278 k = 0.3929 0.2268-0.0000 ( 4250 PWs) bands (ev): -18.7373 -18.7373 -5.7450 -5.7450 -4.5159 -4.5159 -3.9687 -3.9687 -3.3677 -3.3677 -2.7579 -2.7579 3.5772 3.5772 3.6960 3.6960 3.8863 3.8863 3.9481 3.9481 4.2269 4.2269 4.3999 4.3999 4.5008 4.5008 4.7129 4.7129 5.0168 5.0168 5.3120 5.3120 5.4076 5.4076 5.8949 5.8949 6.3149 6.3149 6.5796 6.5796 6.7370 6.7370 7.2520 7.2520 10.4488 10.4488 11.1679 11.1679 12.4779 12.4779 13.5988 13.5988 k = 0.4048 0.2337-0.0000 ( 4250 PWs) bands (ev): -18.7363 -18.7363 -5.7506 -5.7506 -4.5083 -4.5083 -3.9603 -3.9603 -3.3912 -3.3912 -2.7517 -2.7517 3.5943 3.5943 3.6973 3.6973 3.8891 3.8891 3.9474 3.9474 4.2293 4.2293 4.4086 4.4086 4.5026 4.5026 4.7061 4.7061 5.0021 5.0021 5.3165 5.3165 5.3917 5.3917 5.9156 5.9156 6.3116 6.3116 6.5556 6.5556 6.6882 6.6882 7.2393 7.2393 10.4402 10.4402 11.2238 11.2238 12.4695 12.4695 13.6485 13.6485 k = 0.4167 0.2406-0.0000 ( 4250 PWs) bands (ev): -18.7354 -18.7354 -5.7556 -5.7556 -4.5012 -4.5012 -3.9517 -3.9517 -3.4138 -3.4138 -2.7460 -2.7460 3.6118 3.6118 3.6982 3.6982 3.8891 3.8891 3.9485 3.9485 4.2308 4.2308 4.4156 4.4156 4.5053 4.5053 4.6984 4.6984 4.9881 4.9881 5.3191 5.3191 5.3793 5.3793 5.9381 5.9381 6.3107 6.3107 6.5332 6.5332 6.6413 6.6413 7.2283 7.2283 10.4319 10.4319 11.2772 11.2772 12.4556 12.4556 13.6812 13.6812 k = 0.4286 0.2474-0.0000 ( 4246 PWs) bands (ev): -18.7346 -18.7346 -5.7601 -5.7601 -4.4948 -4.4948 -3.9430 -3.9430 -3.4351 -3.4351 -2.7407 -2.7407 3.6292 3.6292 3.6990 3.6990 3.8862 3.8862 3.9515 3.9515 4.2315 4.2315 4.4206 4.4206 4.5091 4.5091 4.6900 4.6900 4.9753 4.9753 5.3182 5.3182 5.3722 5.3722 5.9609 5.9609 6.3123 6.3123 6.5126 6.5126 6.5967 6.5967 7.2188 7.2188 10.4242 10.4242 11.3269 11.3269 12.4382 12.4382 13.7077 13.7077 k = 0.4405 0.2543-0.0000 ( 4254 PWs) bands (ev): -18.7339 -18.7339 -5.7640 -5.7640 -4.4892 -4.4892 -3.9346 -3.9346 -3.4544 -3.4544 -2.7360 -2.7360 3.6461 3.6461 3.6995 3.6995 3.8809 3.8809 3.9555 3.9555 4.2315 4.2315 4.4237 4.4237 4.5142 4.5142 4.6810 4.6810 4.9640 4.9640 5.3138 5.3138 5.3703 5.3703 5.9831 5.9831 6.3164 6.3164 6.4941 6.4941 6.5546 6.5546 7.2108 7.2108 10.4174 10.4174 11.3719 11.3719 12.4190 12.4190 13.7303 13.7303 k = 0.4524 0.2612-0.0000 ( 4264 PWs) bands (ev): -18.7333 -18.7333 -5.7672 -5.7672 -4.4844 -4.4844 -3.9268 -3.9268 -3.4713 -3.4713 -2.7321 -2.7321 3.6619 3.6619 3.7001 3.7001 3.8743 3.8743 3.9600 3.9600 4.2311 4.2311 4.4251 4.4251 4.5204 4.5204 4.6718 4.6718 4.9546 4.9546 5.3077 5.3077 5.3718 5.3718 6.0035 6.0035 6.3232 6.3232 6.4777 6.4777 6.5159 6.5159 7.2044 7.2044 10.4116 10.4116 11.4112 11.4112 12.3999 12.3999 13.7494 13.7494 k = 0.4643 0.2681-0.0000 ( 4268 PWs) bands (ev): -18.7329 -18.7329 -5.7698 -5.7698 -4.4806 -4.4806 -3.9201 -3.9201 -3.4853 -3.4853 -2.7290 -2.7290 3.6757 3.6757 3.7007 3.7007 3.8674 3.8674 3.9642 3.9642 4.2304 4.2304 4.4253 4.4253 4.5270 4.5270 4.6632 4.6632 4.9473 4.9473 5.3017 5.3017 5.3745 5.3745 6.0210 6.0210 6.3331 6.3331 6.4617 6.4617 6.4828 6.4828 7.1994 7.1994 10.4069 10.4069 11.4434 11.4434 12.3827 12.3827 13.7650 13.7650 k = 0.4762 0.2749-0.0000 ( 4274 PWs) bands (ev): -18.7325 -18.7325 -5.7716 -5.7716 -4.4779 -4.4779 -3.9149 -3.9149 -3.4958 -3.4958 -2.7268 -2.7268 3.6862 3.6862 3.7018 3.7018 3.8611 3.8611 3.9675 3.9675 4.2297 4.2297 4.4251 4.4251 4.5330 4.5330 4.6558 4.6558 4.9421 4.9421 5.2970 5.2970 5.3771 5.3771 6.0345 6.0345 6.3462 6.3462 6.4387 6.4387 6.4637 6.4637 7.1959 7.1959 10.4036 10.4036 11.4675 11.4675 12.3690 12.3690 13.7766 13.7766 k = 0.4881 0.2818-0.0000 ( 4270 PWs) bands (ev): -18.7324 -18.7324 -5.7727 -5.7727 -4.4762 -4.4762 -3.9116 -3.9116 -3.5023 -3.5023 -2.7254 -2.7254 3.6921 3.6921 3.7036 3.7036 3.8566 3.8566 3.9697 3.9697 4.2292 4.2292 4.4247 4.4247 4.5373 4.5373 4.6508 4.6508 4.9389 4.9389 5.2941 5.2941 5.3789 5.3789 6.0431 6.0431 6.3628 6.3628 6.4119 6.4119 6.4560 6.4560 7.1938 7.1938 10.4015 10.4015 11.4825 11.4825 12.3601 12.3601 13.7837 13.7837 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7731 -5.7731 -4.4756 -4.4756 -3.9104 -3.9104 -3.5045 -3.5045 -2.7249 -2.7249 3.6937 3.6937 3.7047 3.7047 3.8550 3.8550 3.9704 3.9704 4.2291 4.2291 4.4246 4.4246 4.5388 4.5388 4.6490 4.6490 4.9379 4.9379 5.2931 5.2931 5.3796 5.3796 6.0461 6.0461 6.3773 6.3773 6.3937 6.3937 6.4538 6.4538 7.1931 7.1931 10.4008 10.4008 11.4876 11.4876 12.3571 12.3571 13.7862 13.7862 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7731 -5.7731 -4.4756 -4.4756 -3.9104 -3.9104 -3.5045 -3.5045 -2.7249 -2.7249 3.6937 3.6937 3.7047 3.7047 3.8550 3.8550 3.9704 3.9704 4.2291 4.2291 4.4246 4.4246 4.5388 4.5388 4.6490 4.6490 4.9379 4.9379 5.2931 5.2931 5.3796 5.3796 6.0461 6.0461 6.3773 6.3773 6.3937 6.3937 6.4538 6.4538 7.1931 7.1931 10.4008 10.4008 11.4876 11.4876 12.3571 12.3571 13.7862 13.7862 k = 0.4931 0.3007-0.0000 ( 4264 PWs) bands (ev): -18.7323 -18.7323 -5.7730 -5.7730 -4.4760 -4.4760 -3.9119 -3.9119 -3.5024 -3.5024 -2.7255 -2.7255 3.6910 3.6910 3.7071 3.7071 3.8552 3.8552 3.9714 3.9714 4.2298 4.2298 4.4236 4.4236 4.5380 4.5380 4.6505 4.6505 4.9386 4.9386 5.2928 5.2928 5.3792 5.3792 6.0443 6.0443 6.3738 6.3738 6.3965 6.3965 6.4511 6.4511 7.1955 7.1955 10.4052 10.4052 11.4851 11.4851 12.3561 12.3561 13.7876 13.7876 k = 0.4861 0.3127-0.0000 ( 4270 PWs) bands (ev): -18.7322 -18.7322 -5.7724 -5.7724 -4.4771 -4.4771 -3.9161 -3.9161 -3.4963 -3.4963 -2.7273 -2.7273 3.6856 3.6856 3.7118 3.7118 3.8556 3.8556 3.9742 3.9742 4.2320 4.2320 4.4208 4.4208 4.5358 4.5358 4.6548 4.6548 4.9408 4.9408 5.2919 5.2919 5.3782 5.3782 6.0390 6.0390 6.3658 6.3658 6.4015 6.4015 6.4445 6.4445 7.2027 7.2027 10.4183 10.4183 11.4777 11.4777 12.3530 12.3530 13.7881 13.7881 k = 0.4792 0.3248-0.0000 ( 4274 PWs) bands (ev): -18.7321 -18.7321 -5.7716 -5.7716 -4.4790 -4.4790 -3.9227 -3.9227 -3.4865 -3.4865 -2.7302 -2.7302 3.6793 3.6793 3.7170 3.7170 3.8564 3.8564 3.9790 3.9790 4.2354 4.2354 4.4164 4.4164 4.5322 4.5322 4.6614 4.6614 4.9444 4.9444 5.2905 5.2905 5.3765 5.3765 6.0301 6.0301 6.3536 6.3536 6.4041 6.4041 6.4387 6.4387 7.2142 7.2142 10.4398 10.4398 11.4658 11.4658 12.3478 12.3478 13.7737 13.7737 k = 0.4722 0.3368-0.0000 ( 4271 PWs) bands (ev): -18.7319 -18.7319 -5.7704 -5.7704 -4.4816 -4.4816 -3.9313 -3.9313 -3.4736 -3.4736 -2.7343 -2.7343 3.6725 3.6725 3.7224 3.7224 3.8574 3.8574 3.9857 3.9857 4.2397 4.2397 4.4112 4.4112 4.5277 4.5277 4.6698 4.6698 4.9495 4.9495 5.2887 5.2887 5.3742 5.3742 6.0176 6.0176 6.3344 6.3344 6.4013 6.4013 6.4403 6.4403 7.2296 7.2296 10.4693 10.4693 11.4500 11.4500 12.3406 12.3406 13.7353 13.7353 k = 0.4653 0.3488-0.0000 ( 4265 PWs) bands (ev): -18.7318 -18.7318 -5.7690 -5.7690 -4.4849 -4.4849 -3.9413 -3.9413 -3.4579 -3.4579 -2.7395 -2.7395 3.6654 3.6654 3.7277 3.7277 3.8589 3.8589 3.9943 3.9943 4.2445 4.2445 4.4057 4.4057 4.5222 4.5222 4.6794 4.6794 4.9561 4.9561 5.2865 5.2865 5.3713 5.3713 6.0018 6.0018 6.3055 6.3055 6.3971 6.3971 6.4485 6.4485 7.2481 7.2481 10.5062 10.5062 11.4311 11.4311 12.3311 12.3311 13.6796 13.6796 k = 0.4583 0.3608-0.0000 ( 4267 PWs) bands (ev): -18.7315 -18.7315 -5.7672 -5.7672 -4.4889 -4.4889 -3.9521 -3.9521 -3.4402 -3.4402 -2.7458 -2.7458 3.6583 3.6583 3.7325 3.7325 3.8612 3.8612 4.0047 4.0047 4.2493 4.2493 4.4007 4.4007 4.5161 4.5161 4.6898 4.6898 4.9641 4.9641 5.2838 5.2838 5.3678 5.3678 5.9826 5.9826 6.2672 6.2672 6.3954 6.3954 6.4602 6.4602 7.2691 7.2691 10.5500 10.5500 11.4101 11.4101 12.3194 12.3194 13.6127 13.6127 k = 0.4514 0.3729-0.0000 ( 4263 PWs) bands (ev): -18.7313 -18.7313 -5.7653 -5.7653 -4.4936 -4.4936 -3.9633 -3.9633 -3.4210 -3.4210 -2.7532 -2.7532 3.6513 3.6513 3.7364 3.7364 3.8647 3.8647 4.0166 4.0166 4.2534 4.2534 4.3968 4.3968 4.5093 4.5093 4.7007 4.7007 4.9735 4.9735 5.2809 5.2809 5.3638 5.3638 5.9605 5.9605 6.2213 6.2213 6.3967 6.3967 6.4738 6.4738 7.2918 7.2918 10.5999 10.5999 11.3879 11.3879 12.3055 12.3055 13.5380 13.5380 k = 0.4444 0.3849-0.0000 ( 4263 PWs) bands (ev): -18.7310 -18.7310 -5.7631 -5.7631 -4.4989 -4.4989 -3.9744 -3.9744 -3.4006 -3.4006 -2.7615 -2.7615 3.6446 3.6446 3.7391 3.7391 3.8698 3.8698 4.0299 4.0299 4.2563 4.2563 4.3946 4.3946 4.5021 4.5021 4.7118 4.7118 4.9843 4.9843 5.2779 5.2779 5.3593 5.3593 5.9358 5.9358 6.1694 6.1694 6.4004 6.4004 6.4888 6.4888 7.3155 7.3155 10.6552 10.6552 11.3656 11.3656 12.2892 12.2892 13.4578 13.4578 k = 0.4375 0.3969-0.0000 ( 4275 PWs) bands (ev): -18.7307 -18.7307 -5.7608 -5.7608 -4.5047 -4.5047 -3.9851 -3.9851 -3.3794 -3.3794 -2.7707 -2.7707 3.6384 3.6384 3.7402 3.7402 3.8768 3.8768 4.0443 4.0443 4.2577 4.2577 4.3943 4.3943 4.4945 4.4945 4.7232 4.7232 4.9962 4.9962 5.2747 5.2747 5.3544 5.3544 5.9087 5.9087 6.1129 6.1129 6.4062 6.4062 6.5048 6.5048 7.3395 7.3395 10.7152 10.7152 11.3440 11.3440 12.2706 12.2706 13.3739 13.3739 k = 0.4306 0.4090-0.0000 ( 4279 PWs) bands (ev): -18.7304 -18.7304 -5.7584 -5.7584 -4.5110 -4.5110 -3.9952 -3.9952 -3.3578 -3.3578 -2.7807 -2.7807 3.6329 3.6329 3.7397 3.7397 3.8857 3.8857 4.0597 4.0597 4.2575 4.2575 4.3960 4.3960 4.4869 4.4869 4.7349 4.7349 5.0091 5.0091 5.2717 5.2717 5.3491 5.3491 5.8798 5.8798 6.0530 6.0530 6.4137 6.4137 6.5216 6.5216 7.3633 7.3633 10.7791 10.7791 11.3241 11.3241 12.2498 12.2498 13.2879 13.2879 k = 0.4236 0.4210-0.0000 ( 4277 PWs) bands (ev): -18.7300 -18.7300 -5.7560 -5.7560 -4.5177 -4.5177 -4.0046 -4.0046 -3.3362 -3.3362 -2.7914 -2.7914 3.6283 3.6283 3.7377 3.7377 3.8961 3.8961 4.0759 4.0759 4.2560 4.2560 4.3991 4.3991 4.4794 4.4794 4.7470 4.7470 5.0228 5.0228 5.2688 5.2688 5.3435 5.3435 5.8492 5.8492 5.9909 5.9909 6.4225 6.4225 6.5387 6.5387 7.3863 7.3863 10.8461 10.8461 11.3068 11.3068 12.2267 12.2267 13.2009 13.2009 k = 0.4167 0.4330-0.0000 ( 4275 PWs) bands (ev): -18.7296 -18.7296 -5.7535 -5.7535 -4.5246 -4.5246 -4.0130 -4.0130 -3.3147 -3.3147 -2.8028 -2.8028 3.6245 3.6245 3.7345 3.7345 3.9077 3.9077 4.0926 4.0926 4.2536 4.2536 4.4025 4.4025 4.4726 4.4726 4.7598 4.7598 5.0370 5.0370 5.2664 5.2664 5.3377 5.3377 5.8170 5.8170 5.9278 5.9278 6.4324 6.4324 6.5561 6.5561 7.4081 7.4081 10.9156 10.9156 11.2928 11.2928 12.2017 12.2017 13.1141 13.1141 k = 0.4097 0.4450-0.0000 ( 4275 PWs) bands (ev): -18.7293 -18.7293 -5.7511 -5.7511 -4.5316 -4.5316 -4.0204 -4.0204 -3.2936 -3.2936 -2.8146 -2.8146 3.6217 3.6217 3.7304 3.7304 3.9199 3.9199 4.1095 4.1095 4.2511 4.2511 4.4051 4.4051 4.4671 4.4671 4.7735 4.7735 5.0512 5.0512 5.2645 5.2645 5.3317 5.3317 5.7826 5.7826 5.8656 5.8656 6.4430 6.4430 6.5733 6.5733 7.4282 7.4282 10.9866 10.9866 11.2828 11.2828 12.1749 12.1749 13.0285 13.0285 k = 0.4028 0.4571-0.0000 ( 4279 PWs) bands (ev): -18.7289 -18.7289 -5.7488 -5.7488 -4.5386 -4.5386 -4.0268 -4.0268 -3.2732 -3.2732 -2.8266 -2.8266 3.6199 3.6199 3.7255 3.7255 3.9323 3.9323 4.1263 4.1263 4.2492 4.2492 4.4057 4.4057 4.4637 4.4637 4.7883 4.7883 5.0652 5.0652 5.2632 5.2632 5.3255 5.3255 5.7444 5.7444 5.8072 5.8072 6.4541 6.4541 6.5900 6.5900 7.4463 7.4463 11.0583 11.0583 11.2775 11.2775 12.1469 12.1469 12.9449 12.9449 k = 0.3958 0.4691-0.0000 ( 4291 PWs) bands (ev): -18.7286 -18.7286 -5.7467 -5.7467 -4.5453 -4.5453 -4.0322 -4.0322 -3.2537 -3.2537 -2.8388 -2.8388 3.6192 3.6192 3.7202 3.7202 3.9444 3.9444 4.1424 4.1424 4.2486 4.2486 4.4033 4.4033 4.4626 4.4626 4.8045 4.8045 5.0785 5.0785 5.2628 5.2628 5.3193 5.3193 5.6992 5.6992 5.7570 5.7570 6.4653 6.4653 6.6059 6.6059 7.4624 7.4624 11.1290 11.1290 11.2776 11.2776 12.1183 12.1183 12.8643 12.8643 k = 0.3889 0.4811-0.0000 ( 4295 PWs) bands (ev): -18.7282 -18.7282 -5.7447 -5.7447 -4.5517 -4.5517 -4.0367 -4.0367 -3.2353 -3.2353 -2.8508 -2.8508 3.6196 3.6196 3.7145 3.7145 3.9559 3.9559 4.1569 4.1569 4.2502 4.2502 4.3983 4.3983 4.4634 4.4634 4.8221 4.8221 5.0907 5.0907 5.2632 5.2632 5.3131 5.3131 5.6473 5.6473 5.7164 5.7164 6.4765 6.4765 6.6208 6.6208 7.4762 7.4762 11.1958 11.1958 11.2850 11.2850 12.0901 12.0901 12.7873 12.7873 k = 0.3819 0.4932-0.0000 ( 4303 PWs) bands (ev): -18.7279 -18.7279 -5.7429 -5.7429 -4.5576 -4.5576 -4.0403 -4.0403 -3.2184 -3.2184 -2.8624 -2.8624 3.6211 3.6211 3.7086 3.7086 3.9664 3.9664 4.1691 4.1691 4.2547 4.2547 4.3914 4.3914 4.4652 4.4652 4.8412 4.8412 5.1014 5.1014 5.2642 5.2642 5.3067 5.3067 5.5942 5.5942 5.6815 5.6815 6.4874 6.4874 6.6343 6.6343 7.4877 7.4877 11.2502 11.2502 11.3067 11.3067 12.0637 12.0637 12.7150 12.7150 k = 0.3750 0.5052-0.0000 ( 4303 PWs) bands (ev): -18.7276 -18.7276 -5.7414 -5.7414 -4.5629 -4.5629 -4.0432 -4.0432 -3.2031 -3.2031 -2.8733 -2.8733 3.6237 3.6237 3.7025 3.7025 3.9756 3.9756 4.1782 4.1782 4.2628 4.2628 4.3834 4.3834 4.4671 4.4671 4.8616 4.8616 5.1102 5.1102 5.2652 5.2652 5.3002 5.3002 5.5448 5.5448 5.6497 5.6497 6.4977 6.4977 6.6462 6.6462 7.4970 7.4970 11.2817 11.2817 11.3505 11.3505 12.0410 12.0410 12.6482 12.6482 k = 0.3681 0.5172-0.0000 ( 4303 PWs) bands (ev): -18.7273 -18.7273 -5.7402 -5.7402 -4.5675 -4.5675 -4.0453 -4.0453 -3.1898 -3.1898 -2.8831 -2.8831 3.6272 3.6272 3.6963 3.6963 3.9835 3.9835 4.1845 4.1845 4.2737 4.2737 4.3748 4.3748 4.4687 4.4687 4.8827 4.8827 5.1170 5.1170 5.2651 5.2651 5.2931 5.2931 5.5030 5.5030 5.6201 5.6201 6.5073 6.5073 6.6563 6.6563 7.5042 7.5042 11.3039 11.3039 11.3993 11.3993 12.0246 12.0246 12.5883 12.5883 k = 0.3611 0.5292-0.0000 ( 4295 PWs) bands (ev): -18.7271 -18.7271 -5.7392 -5.7392 -4.5713 -4.5713 -4.0468 -4.0468 -3.1787 -3.1787 -2.8916 -2.8916 3.6316 3.6316 3.6900 3.6900 3.9900 3.9900 4.1885 4.1885 4.2863 4.2863 4.3661 4.3661 4.4698 4.4698 4.9040 4.9040 5.1215 5.1215 5.2623 5.2623 5.2856 5.2856 5.4722 5.4722 5.5926 5.5926 6.5158 6.5158 6.6644 6.6644 7.5094 7.5094 11.3264 11.3264 11.4390 11.4390 12.0170 12.0170 12.5370 12.5370 k = 0.3542 0.5413-0.0000 ( 4295 PWs) bands (ev): -18.7269 -18.7269 -5.7384 -5.7384 -4.5743 -4.5743 -4.0479 -4.0479 -3.1700 -3.1700 -2.8984 -2.8984 3.6368 3.6368 3.6837 3.6837 3.9949 3.9949 4.1911 4.1911 4.2991 4.2991 4.3577 4.3577 4.4703 4.4703 4.9240 4.9240 5.1238 5.1238 5.2549 5.2549 5.2793 5.2793 5.4544 5.4544 5.5676 5.5676 6.5231 6.5231 6.6705 6.6705 7.5130 7.5130 11.3506 11.3506 11.4641 11.4641 12.0193 12.0193 12.4969 12.4969 k = 0.3472 0.5533-0.0000 ( 4289 PWs) bands (ev): -18.7267 -18.7267 -5.7380 -5.7380 -4.5764 -4.5764 -4.0485 -4.0485 -3.1639 -3.1639 -2.9033 -2.9033 3.6423 3.6423 3.6776 3.6776 3.9984 3.9984 4.1928 4.1928 4.3108 4.3108 4.3500 4.3500 4.4705 4.4705 4.9409 4.9409 5.1238 5.1238 5.2447 5.2447 5.2750 5.2750 5.4482 5.4482 5.5459 5.5459 6.5287 6.5287 6.6745 6.6745 7.5152 7.5152 11.3756 11.3756 11.4732 11.4732 12.0292 12.0292 12.4723 12.4723 k = 0.3403 0.5653-0.0000 ( 4283 PWs) bands (ev): -18.7266 -18.7266 -5.7377 -5.7377 -4.5776 -4.5776 -4.0488 -4.0488 -3.1604 -3.1604 -2.9062 -2.9062 3.6476 3.6476 3.6722 3.6722 4.0005 4.0005 4.1938 4.1938 4.3195 4.3195 4.3439 4.3439 4.4705 4.4705 4.9525 4.9525 5.1223 5.1223 5.2370 5.2370 5.2722 5.2722 5.4491 5.4491 5.5299 5.5299 6.5324 6.5324 6.6767 6.6767 7.5163 7.5163 11.3987 11.3987 11.4692 11.4692 12.0402 12.0402 12.4680 12.4680 k = 0.3333 0.5774-0.0000 ( 4287 PWs) bands (ev): -18.7266 -18.7266 -5.7376 -5.7376 -4.5780 -4.5780 -4.0489 -4.0489 -3.1594 -3.1594 -2.9071 -2.9071 3.6502 3.6502 3.6696 3.6696 4.0011 4.0011 4.1941 4.1941 4.3229 4.3229 4.3415 4.3415 4.4705 4.4705 4.9565 4.9565 5.1213 5.1213 5.2344 5.2344 5.2711 5.2711 5.4507 5.4507 5.5235 5.5235 6.5337 6.5337 6.6773 6.6773 7.5166 7.5166 11.4107 11.4107 11.4631 11.4631 12.0449 12.0449 12.4837 12.4837 k = 0.3333 0.5774-0.0000 ( 4287 PWs) bands (ev): -18.7266 -18.7266 -5.7376 -5.7376 -4.5780 -4.5780 -4.0489 -4.0489 -3.1594 -3.1594 -2.9071 -2.9071 3.6502 3.6502 3.6696 3.6696 4.0011 4.0011 4.1941 4.1941 4.3229 4.3229 4.3415 4.3415 4.4705 4.4705 4.9565 4.9565 5.1213 5.1213 5.2344 5.2344 5.2711 5.2711 5.4507 5.4507 5.5235 5.5235 6.5337 6.5337 6.6773 6.6773 7.5166 7.5166 11.4107 11.4107 11.4631 11.4631 12.0449 12.0449 12.4837 12.4837 k = 0.3264 0.5653-0.0000 ( 4283 PWs) bands (ev): -18.7266 -18.7266 -5.7377 -5.7377 -4.5776 -4.5776 -4.0488 -4.0488 -3.1603 -3.1603 -2.9063 -2.9063 3.6473 3.6473 3.6724 3.6724 4.0005 4.0005 4.1938 4.1938 4.3205 4.3205 4.3429 4.3429 4.4705 4.4705 4.9528 4.9528 5.1227 5.1227 5.2359 5.2359 5.2728 5.2728 5.4486 5.4486 5.5303 5.5303 6.5322 6.5322 6.6769 6.6769 7.5165 7.5165 11.3966 11.3966 11.4717 11.4717 12.0399 12.0399 12.4605 12.4605 k = 0.3194 0.5533-0.0000 ( 4285 PWs) bands (ev): -18.7267 -18.7267 -5.7378 -5.7378 -4.5765 -4.5765 -4.0487 -4.0487 -3.1628 -3.1628 -2.9041 -2.9041 3.6406 3.6406 3.6788 3.6788 3.9986 3.9986 4.1928 4.1928 4.3162 4.3162 4.3443 4.3443 4.4703 4.4703 4.9435 4.9435 5.1265 5.1265 5.2374 5.2374 5.2793 5.2793 5.4446 5.4446 5.5483 5.5483 6.5274 6.5274 6.6759 6.6759 7.5161 7.5161 11.3657 11.3657 11.4870 11.4870 12.0266 12.0266 12.4440 12.4440 k = 0.3125 0.5413-0.0000 ( 4281 PWs) bands (ev): -18.7269 -18.7269 -5.7380 -5.7380 -4.5749 -4.5749 -4.0485 -4.0485 -3.1664 -3.1664 -2.9008 -2.9008 3.6322 3.6322 3.6863 3.6863 3.9956 3.9956 4.1911 4.1911 4.3116 4.3116 4.3441 4.3441 4.4695 4.4695 4.9318 4.9318 5.1317 5.1317 5.2363 5.2363 5.2904 5.2904 5.4436 5.4436 5.5737 5.5737 6.5190 6.5190 6.6749 6.6749 7.5157 7.5157 11.3280 11.3280 11.4992 11.4992 12.0081 12.0081 12.4401 12.4401 k = 0.3056 0.5292-0.0000 ( 4281 PWs) bands (ev): -18.7272 -18.7272 -5.7381 -5.7381 -4.5728 -4.5728 -4.0485 -4.0485 -3.1706 -3.1706 -2.8969 -2.8969 3.6228 3.6228 3.6942 3.6942 3.9915 3.9915 4.1889 4.1889 4.3071 4.3071 4.3424 4.3424 4.4680 4.4680 4.9202 4.9202 5.1373 5.1373 5.2327 5.2327 5.3034 5.3034 5.4486 5.4486 5.6045 5.6045 6.5066 6.5066 6.6745 6.6745 7.5157 7.5157 11.2870 11.2870 11.5053 11.5053 11.9870 11.9870 12.4500 12.4500 k = 0.2986 0.5172-0.0000 ( 4279 PWs) bands (ev): -18.7275 -18.7275 -5.7382 -5.7382 -4.5704 -4.5704 -4.0484 -4.0484 -3.1748 -3.1748 -2.8927 -2.8927 3.6125 3.6125 3.7021 3.7021 3.9865 3.9865 4.1862 4.1862 4.3026 4.3026 4.3394 4.3394 4.4654 4.4654 4.9101 4.9101 5.1424 5.1424 5.2275 5.2275 5.3164 5.3164 5.4605 5.4605 5.6398 5.6398 6.4904 6.4904 6.6750 6.6750 7.5162 7.5162 11.2442 11.2442 11.5041 11.5041 11.9650 11.9650 12.4739 12.4739 k = 0.2917 0.5052-0.0000 ( 4283 PWs) bands (ev): -18.7279 -18.7279 -5.7381 -5.7381 -4.5679 -4.5679 -4.0485 -4.0485 -3.1787 -3.1787 -2.8885 -2.8885 3.6014 3.6014 3.7097 3.7097 3.9806 3.9806 4.1830 4.1830 4.2977 4.2977 4.3357 4.3357 4.4619 4.4619 4.9022 4.9022 5.1459 5.1459 5.2218 5.2218 5.3295 5.3295 5.4783 5.4783 5.6792 5.6792 6.4706 6.4706 6.6766 6.6766 7.5174 7.5174 11.2006 11.2006 11.4958 11.4958 11.9430 11.9430 12.5112 12.5112 k = 0.2847 0.4932-0.0000 ( 4283 PWs) bands (ev): -18.7284 -18.7284 -5.7377 -5.7377 -4.5653 -4.5653 -4.0487 -4.0487 -3.1820 -3.1820 -2.8845 -2.8845 3.5895 3.5895 3.7170 3.7170 3.9742 3.9742 4.1794 4.1794 4.2921 4.2921 4.3318 4.3318 4.4576 4.4576 4.8967 4.8967 5.1468 5.1468 5.2173 5.2173 5.3439 5.3439 5.5000 5.5000 5.7222 5.7222 6.4478 6.4478 6.6794 6.6794 7.5193 7.5193 11.1569 11.1569 11.4812 11.4812 11.9215 11.9215 12.5607 12.5607 k = 0.2778 0.4811-0.0000 ( 4279 PWs) bands (ev): -18.7290 -18.7290 -5.7371 -5.7371 -4.5629 -4.5629 -4.0490 -4.0490 -3.1843 -3.1843 -2.8808 -2.8808 3.5770 3.5770 3.7238 3.7238 3.9673 3.9673 4.1754 4.1754 4.2854 4.2854 4.3279 4.3279 4.4530 4.4530 4.8931 4.8931 5.1443 5.1443 5.2150 5.2150 5.3609 5.3609 5.5236 5.5236 5.7686 5.7686 6.4227 6.4227 6.6836 6.6836 7.5222 7.5222 11.1133 11.1133 11.4614 11.4614 11.9005 11.9005 12.6209 12.6209 k = 0.2708 0.4691-0.0000 ( 4265 PWs) bands (ev): -18.7297 -18.7297 -5.7362 -5.7362 -4.5608 -4.5608 -4.0493 -4.0493 -3.1855 -3.1855 -2.8776 -2.8776 3.5639 3.5639 3.7299 3.7299 3.9600 3.9600 4.1710 4.1710 4.2775 4.2775 4.3243 4.3243 4.4486 4.4486 4.8910 4.8910 5.1385 5.1385 5.2153 5.2153 5.3812 5.3812 5.5476 5.5476 5.8178 5.8178 6.3961 6.3961 6.6892 6.6892 7.5260 7.5260 11.0704 11.0704 11.4377 11.4377 11.8802 11.8802 12.6899 12.6899 k = 0.2639 0.4571-0.0000 ( 4267 PWs) bands (ev): -18.7305 -18.7305 -5.7350 -5.7350 -4.5591 -4.5591 -4.0496 -4.0496 -3.1855 -3.1855 -2.8749 -2.8749 3.5505 3.5505 3.7353 3.7353 3.9525 3.9525 4.1662 4.1662 4.2683 4.2683 4.3208 4.3208 4.4447 4.4447 4.8897 4.8897 5.1306 5.1306 5.2174 5.2174 5.4052 5.4052 5.5710 5.5710 5.8694 5.8694 6.3690 6.3690 6.6963 6.6963 7.5308 7.5308 11.0281 11.0281 11.4112 11.4112 11.8604 11.8604 12.7664 12.7664 k = 0.2569 0.4450-0.0000 ( 4271 PWs) bands (ev): -18.7314 -18.7314 -5.7333 -5.7333 -4.5580 -4.5580 -4.0499 -4.0499 -3.1842 -3.1842 -2.8728 -2.8728 3.5369 3.5369 3.7399 3.7399 3.9449 3.9449 4.1608 4.1608 4.2581 4.2581 4.3173 4.3173 4.4418 4.4418 4.8886 4.8886 5.1220 5.1220 5.2206 5.2206 5.4328 5.4328 5.5930 5.5930 5.9227 5.9227 6.3424 6.3424 6.7051 6.7051 7.5365 7.5365 10.9866 10.9866 11.3829 11.3829 11.8409 11.8409 12.8486 12.8486 k = 0.2500 0.4330-0.0000 ( 4271 PWs) bands (ev): -18.7323 -18.7323 -5.7312 -5.7312 -4.5575 -4.5575 -4.0502 -4.0502 -3.1815 -3.1815 -2.8711 -2.8711 3.5234 3.5234 3.7436 3.7436 3.9371 3.9371 4.1548 4.1548 4.2470 4.2470 4.3136 4.3136 4.4402 4.4402 4.8870 4.8870 5.1138 5.1138 5.2243 5.2243 5.4636 5.4636 5.6132 5.6132 5.9771 5.9771 6.3179 6.3179 6.7158 6.7158 7.5433 7.5433 10.9459 10.9459 11.3535 11.3535 11.8215 11.8215 12.9352 12.9352 k = 0.2431 0.4210-0.0000 ( 4265 PWs) bands (ev): -18.7333 -18.7333 -5.7287 -5.7287 -4.5577 -4.5577 -4.0503 -4.0503 -3.1777 -3.1777 -2.8700 -2.8700 3.5101 3.5101 3.7464 3.7464 3.9292 3.9292 4.1482 4.1482 4.2355 4.2355 4.3095 4.3095 4.4399 4.4399 4.8844 4.8844 5.1069 5.1069 5.2282 5.2282 5.4968 5.4968 5.6313 5.6313 6.0316 6.0316 6.2970 6.2970 6.7285 6.7285 7.5510 7.5510 10.9059 10.9059 11.3234 11.3234 11.8022 11.8022 13.0246 13.0246 k = 0.2361 0.4090-0.0000 ( 4261 PWs) bands (ev): -18.7345 -18.7345 -5.7258 -5.7258 -4.5586 -4.5586 -4.0503 -4.0503 -3.1727 -3.1727 -2.8692 -2.8692 3.4973 3.4973 3.7482 3.7482 3.9211 3.9211 4.1407 4.1407 4.2238 4.2238 4.3050 4.3050 4.4409 4.4409 4.8804 4.8804 5.1018 5.1018 5.2321 5.2321 5.5307 5.5307 5.6477 5.6477 6.0852 6.0852 6.2821 6.2821 6.7434 6.7434 7.5596 7.5596 10.8666 10.8666 11.2933 11.2933 11.7828 11.7828 13.1148 13.1148 k = 0.2292 0.3969-0.0000 ( 4257 PWs) bands (ev): -18.7357 -18.7357 -5.7225 -5.7225 -4.5602 -4.5602 -4.0502 -4.0502 -3.1668 -3.1668 -2.8686 -2.8686 3.4851 3.4851 3.7490 3.7490 3.9129 3.9129 4.1325 4.1325 4.2123 4.2123 4.3002 4.3002 4.4430 4.4430 4.8745 4.8745 5.0987 5.0987 5.2360 5.2360 5.5621 5.5621 5.6646 5.6646 6.1353 6.1353 6.2765 6.2765 6.7607 6.7607 7.5691 7.5691 10.8278 10.8278 11.2632 11.2632 11.7633 11.7633 13.2026 13.2026 k = 0.2222 0.3849-0.0000 ( 4265 PWs) bands (ev): -18.7370 -18.7370 -5.7188 -5.7188 -4.5624 -4.5624 -4.0499 -4.0499 -3.1602 -3.1602 -2.8681 -2.8681 3.4738 3.4738 3.7488 3.7488 3.9045 3.9045 4.1232 4.1232 4.2012 4.2012 4.2949 4.2949 4.4460 4.4460 4.8669 4.8669 5.0976 5.0976 5.2398 5.2398 5.5850 5.5850 5.6869 5.6869 6.1773 6.1773 6.2856 6.2856 6.7806 6.7806 7.5795 7.5795 10.7891 10.7891 11.2334 11.2334 11.7438 11.7438 13.2828 13.2828 k = 0.2153 0.3729-0.0000 ( 4257 PWs) bands (ev): -18.7383 -18.7383 -5.7147 -5.7147 -4.5652 -4.5652 -4.0495 -4.0495 -3.1532 -3.1532 -2.8673 -2.8673 3.4635 3.4635 3.7475 3.7475 3.8960 3.8960 4.1129 4.1129 4.1907 4.1907 4.2895 4.2895 4.4495 4.4495 4.8577 4.8577 5.0983 5.0983 5.2434 5.2434 5.5945 5.5945 5.7192 5.7192 6.2071 6.2071 6.3142 6.3142 6.8033 6.8033 7.5906 7.5906 10.7502 10.7502 11.2041 11.2041 11.7243 11.7243 13.3448 13.3448 k = 0.2083 0.3608-0.0000 ( 4261 PWs) bands (ev): -18.7397 -18.7397 -5.7103 -5.7103 -4.5684 -4.5684 -4.0489 -4.0489 -3.1461 -3.1461 -2.8661 -2.8661 3.4544 3.4544 3.7451 3.7451 3.8874 3.8874 4.1016 4.1016 4.1809 4.1809 4.2839 4.2839 4.4532 4.4532 4.8470 4.8470 5.1003 5.1003 5.2470 5.2470 5.5917 5.5917 5.7603 5.7603 6.2294 6.2294 6.3574 6.3574 6.8289 6.8289 7.6024 7.6024 10.7108 10.7108 11.1751 11.1751 11.7051 11.7051 13.3708 13.3708 k = 0.2014 0.3488-0.0000 ( 4259 PWs) bands (ev): -18.7412 -18.7412 -5.7056 -5.7056 -4.5719 -4.5719 -4.0483 -4.0483 -3.1393 -3.1393 -2.8641 -2.8641 3.4464 3.4464 3.7415 3.7415 3.8789 3.8789 4.0894 4.0894 4.1716 4.1716 4.2782 4.2782 4.4567 4.4567 4.8353 4.8353 5.1034 5.1034 5.2504 5.2504 5.5805 5.5805 5.8068 5.8068 6.2520 6.2520 6.4069 6.4069 6.8576 6.8576 7.6149 7.6149 10.6704 10.6704 11.1466 11.1466 11.6864 11.6864 13.3473 13.3473 k = 0.1944 0.3368-0.0000 ( 4259 PWs) bands (ev): -18.7428 -18.7428 -5.7007 -5.7007 -4.5754 -4.5754 -4.0478 -4.0478 -3.1333 -3.1333 -2.8609 -2.8609 3.4398 3.4398 3.7367 3.7367 3.8707 3.8707 4.0764 4.0764 4.1628 4.1628 4.2726 4.2726 4.4598 4.4598 4.8229 4.8229 5.1070 5.1070 5.2536 5.2536 5.5641 5.5641 5.8565 5.8565 6.2785 6.2785 6.4583 6.4583 6.8895 6.8895 7.6280 7.6280 10.6285 10.6285 11.1183 11.1183 11.6687 11.6687 13.2841 13.2841 k = 0.1875 0.3248-0.0000 ( 4259 PWs) bands (ev): -18.7444 -18.7444 -5.6957 -5.6957 -4.5789 -4.5789 -4.0472 -4.0472 -3.1284 -3.1284 -2.8563 -2.8563 3.4345 3.4345 3.7308 3.7308 3.8628 3.8628 4.0629 4.0629 4.1541 4.1541 4.2670 4.2670 4.4622 4.4622 4.8101 4.8101 5.1107 5.1107 5.2568 5.2568 5.5447 5.5447 5.9081 5.9081 6.3097 6.3097 6.5099 6.5099 6.9246 6.9246 7.6415 7.6415 10.5848 10.5848 11.0902 11.0902 11.6522 11.6522 13.2012 13.2012 k = 0.1806 0.3127-0.0000 ( 4247 PWs) bands (ev): -18.7460 -18.7460 -5.6906 -5.6906 -4.5822 -4.5822 -4.0469 -4.0469 -3.1250 -3.1250 -2.8499 -2.8499 3.4307 3.4307 3.7239 3.7239 3.8553 3.8553 4.0490 4.0490 4.1453 4.1453 4.2615 4.2615 4.4635 4.4635 4.7972 4.7972 5.1141 5.1141 5.2598 5.2598 5.5241 5.5241 5.9608 5.9608 6.3456 6.3456 6.5607 6.5607 6.9631 6.9631 7.6556 7.6556 10.5387 10.5387 11.0620 11.0620 11.6372 11.6372 13.1106 13.1106 k = 0.1736 0.3007-0.0000 ( 4247 PWs) bands (ev): -18.7477 -18.7477 -5.6856 -5.6856 -4.5849 -4.5849 -4.0468 -4.0468 -3.1233 -3.1233 -2.8416 -2.8416 3.4281 3.4281 3.7159 3.7159 3.8484 3.8484 4.0348 4.0348 4.1364 4.1364 4.2557 4.2557 4.4636 4.4636 4.7843 4.7843 5.1168 5.1168 5.2629 5.2629 5.5035 5.5035 6.0142 6.0142 6.3858 6.3858 6.6103 6.6103 7.0048 7.0048 7.6699 7.6699 10.4898 10.4898 11.0337 11.0337 11.6241 11.6241 13.0183 13.0183 k = 0.1667 0.2887-0.0000 ( 4239 PWs) bands (ev): -18.7494 -18.7494 -5.6806 -5.6806 -4.5871 -4.5871 -4.0470 -4.0470 -3.1235 -3.1235 -2.8314 -2.8314 3.4270 3.4270 3.7071 3.7071 3.8420 3.8420 4.0205 4.0205 4.1272 4.1272 4.2496 4.2496 4.4623 4.4623 4.7716 4.7716 5.1188 5.1188 5.2660 5.2660 5.4842 5.4842 6.0679 6.0679 6.4300 6.4300 6.6584 6.6584 7.0496 7.0496 7.6846 7.6846 10.4379 10.4379 11.0050 11.0050 11.6130 11.6130 12.9274 12.9274 k = 0.1597 0.2766-0.0000 ( 4251 PWs) bands (ev): -18.7511 -18.7511 -5.6758 -5.6758 -4.5884 -4.5884 -4.0475 -4.0475 -3.1255 -3.1255 -2.8193 -2.8193 3.4271 3.4271 3.6977 3.6977 3.8361 3.8361 4.0063 4.0063 4.1175 4.1175 4.2428 4.2428 4.4596 4.4596 4.7594 4.7594 5.1197 5.1197 5.2694 5.2694 5.4666 5.4666 6.1216 6.1216 6.4777 6.4777 6.7048 6.7048 7.0974 7.0974 7.6994 7.6994 10.3828 10.3828 10.9757 10.9757 11.6038 11.6038 12.8399 12.8399 k = 0.1528 0.2646-0.0000 ( 4251 PWs) bands (ev): -18.7529 -18.7529 -5.6712 -5.6712 -4.5888 -4.5888 -4.0486 -4.0486 -3.1292 -3.1292 -2.8055 -2.8055 3.4286 3.4286 3.6879 3.6879 3.8306 3.8306 3.9921 3.9921 4.1075 4.1075 4.2349 4.2349 4.4555 4.4555 4.7477 4.7477 5.1197 5.1197 5.2732 5.2732 5.4513 5.4513 6.1750 6.1750 6.5287 6.5287 6.7494 6.7494 7.1479 7.1479 7.7143 7.7143 10.3244 10.3244 10.9456 10.9456 11.5965 11.5965 12.7571 12.7571 k = 0.1458 0.2526-0.0000 ( 4259 PWs) bands (ev): -18.7546 -18.7546 -5.6669 -5.6669 -4.5881 -4.5881 -4.0502 -4.0502 -3.1345 -3.1345 -2.7902 -2.7902 3.4312 3.4312 3.6779 3.6779 3.8254 3.8254 3.9782 3.9782 4.0972 4.0972 4.2257 4.2257 4.4504 4.4504 4.7366 4.7366 5.1190 5.1190 5.2773 5.2773 5.4384 5.4384 6.2282 6.2282 6.5826 6.5826 6.7922 6.7922 7.2007 7.2007 7.7292 7.7292 10.2627 10.2627 10.9146 10.9146 11.5905 11.5905 12.6800 12.6800 k = 0.1389 0.2406-0.0000 ( 4257 PWs) bands (ev): -18.7563 -18.7563 -5.6630 -5.6630 -4.5862 -4.5862 -4.0523 -4.0523 -3.1411 -3.1411 -2.7738 -2.7738 3.4350 3.4350 3.6679 3.6679 3.8204 3.8204 3.9646 3.9646 4.0865 4.0865 4.2148 4.2148 4.4444 4.4444 4.7261 4.7261 5.1178 5.1178 5.2819 5.2819 5.4277 5.4277 6.2810 6.2810 6.6388 6.6388 6.8335 6.8335 7.2554 7.2554 7.7440 7.7440 10.1978 10.1978 10.8828 10.8828 11.5854 11.5854 12.6091 12.6091 k = 0.1319 0.2285-0.0000 ( 4261 PWs) bands (ev): -18.7581 -18.7581 -5.6595 -5.6595 -4.5830 -4.5830 -4.0552 -4.0552 -3.1487 -3.1487 -2.7565 -2.7565 3.4398 3.4398 3.6582 3.6582 3.8156 3.8156 3.9514 3.9514 4.0757 4.0757 4.2018 4.2018 4.4379 4.4379 4.7163 4.7163 5.1165 5.1165 5.2869 5.2869 5.4189 5.4189 6.3334 6.3334 6.6969 6.6969 6.8735 6.8735 7.3115 7.3115 7.7585 7.7585 10.1300 10.1300 10.8502 10.8502 11.5805 11.5805 12.5450 12.5450 k = 0.1250 0.2165-0.0000 ( 4257 PWs) bands (ev): -18.7598 -18.7598 -5.6564 -5.6564 -4.5785 -4.5785 -4.0587 -4.0587 -3.1571 -3.1571 -2.7386 -2.7386 3.4456 3.4456 3.6488 3.6488 3.8108 3.8108 3.9388 3.9388 4.0646 4.0646 4.1868 4.1868 4.4312 4.4312 4.7072 4.7072 5.1155 5.1155 5.2923 5.2923 5.4119 5.4119 6.3854 6.3854 6.7558 6.7558 6.9128 6.9128 7.3684 7.3684 7.7727 7.7727 10.0596 10.0596 10.8170 10.8170 11.5750 11.5750 12.4876 12.4876 k = 0.1181 0.2045-0.0000 ( 4255 PWs) bands (ev): -18.7614 -18.7614 -5.6538 -5.6538 -4.5725 -4.5725 -4.0630 -4.0630 -3.1662 -3.1662 -2.7203 -2.7203 3.4522 3.4522 3.6400 3.6400 3.8058 3.8058 3.9268 3.9268 4.0535 4.0535 4.1696 4.1696 4.4246 4.4246 4.6987 4.6987 5.1151 5.1151 5.2980 5.2980 5.4062 5.4062 6.4370 6.4370 6.8143 6.8143 6.9529 6.9529 7.4254 7.4254 7.7863 7.7863 9.9869 9.9869 10.7839 10.7839 11.5683 11.5683 12.4370 12.4370 k = 0.1111 0.1925-0.0000 ( 4253 PWs) bands (ev): -18.7630 -18.7630 -5.6516 -5.6516 -4.5652 -4.5652 -4.0681 -4.0681 -3.1756 -3.1756 -2.7021 -2.7021 3.4595 3.4595 3.6319 3.6319 3.8006 3.8006 3.9156 3.9156 4.0423 4.0423 4.1506 4.1506 4.4183 4.4183 4.6910 4.6910 5.1154 5.1154 5.3038 5.3038 5.4015 5.4015 6.4882 6.4882 6.8696 6.8696 6.9961 6.9961 7.4819 7.4819 7.7992 7.7992 9.9121 9.9121 10.7512 10.7512 11.5596 11.5596 12.3927 12.3927 k = 0.1042 0.1804-0.0000 ( 4245 PWs) bands (ev): -18.7646 -18.7646 -5.6499 -5.6499 -4.5564 -4.5564 -4.0740 -4.0740 -3.1852 -3.1852 -2.6839 -2.6839 3.4674 3.4674 3.6245 3.6245 3.7950 3.7950 3.9053 3.9053 4.0310 4.0310 4.1299 4.1299 4.4122 4.4122 4.6839 4.6839 5.1165 5.1165 5.3096 5.3096 5.3976 5.3976 6.5391 6.5391 6.9186 6.9186 7.0454 7.0454 7.5370 7.5370 7.8114 7.8114 9.8357 9.8357 10.7198 10.7198 11.5485 11.5485 12.3540 12.3540 k = 0.0972 0.1684-0.0000 ( 4245 PWs) bands (ev): -18.7661 -18.7661 -5.6486 -5.6486 -4.5464 -4.5464 -4.0808 -4.0808 -3.1949 -3.1949 -2.6661 -2.6661 3.4758 3.4758 3.6180 3.6180 3.7890 3.7890 3.8960 3.8960 4.0197 4.0197 4.1082 4.1082 4.4065 4.4065 4.6774 4.6774 5.1185 5.1185 5.3154 5.3154 5.3943 5.3943 6.5895 6.5895 6.9594 6.9594 7.1026 7.1026 7.5900 7.5900 7.8225 7.8225 9.7580 9.7580 10.6905 10.6905 11.5348 11.5348 12.3197 12.3197 k = 0.0903 0.1564-0.0000 ( 4241 PWs) bands (ev): -18.7676 -18.7676 -5.6478 -5.6478 -4.5351 -4.5351 -4.0884 -4.0884 -3.2044 -3.2044 -2.6489 -2.6489 3.4844 3.4844 3.6124 3.6124 3.7824 3.7824 3.8878 3.8878 4.0084 4.0084 4.0859 4.0859 4.4012 4.4012 4.6716 4.6716 5.1213 5.1213 5.3210 5.3210 5.3913 5.3913 6.6394 6.6394 6.9924 6.9924 7.1670 7.1670 7.6401 7.6401 7.8325 7.8325 9.6793 9.6793 10.6643 10.6643 11.5185 11.5185 12.2878 12.2878 k = 0.0833 0.1443-0.0000 ( 4241 PWs) bands (ev): -18.7690 -18.7690 -5.6473 -5.6473 -4.5226 -4.5226 -4.0969 -4.0969 -3.2137 -3.2137 -2.6323 -2.6323 3.4930 3.4930 3.6080 3.6080 3.7754 3.7754 3.8807 3.8807 3.9969 3.9969 4.0636 4.0636 4.3961 4.3961 4.6664 4.6664 5.1249 5.1249 5.3264 5.3264 5.3885 5.3885 6.6888 6.6888 7.0199 7.0199 7.2365 7.2365 7.6866 7.6866 7.8412 7.8412 9.6000 9.6000 10.6421 10.6421 11.5000 11.5000 12.2501 12.2501 k = 0.0764 0.1323-0.0000 ( 4241 PWs) bands (ev): -18.7703 -18.7703 -5.6472 -5.6472 -4.5092 -4.5092 -4.1062 -4.1062 -3.2226 -3.2226 -2.6166 -2.6166 3.5015 3.5015 3.6046 3.6046 3.7678 3.7678 3.8747 3.8747 3.9851 3.9851 4.0421 4.0421 4.3912 4.3912 4.6618 4.6618 5.1289 5.1289 5.3315 5.3315 5.3860 5.3860 6.7372 6.7372 7.0433 7.0433 7.3091 7.3091 7.7288 7.7288 7.8487 7.8487 9.5203 9.5203 10.6246 10.6246 11.4795 11.4795 12.1932 12.1932 k = 0.0694 0.1203-0.0000 ( 4239 PWs) bands (ev): -18.7715 -18.7715 -5.6473 -5.6473 -4.4948 -4.4948 -4.1163 -4.1163 -3.2310 -3.2310 -2.6018 -2.6018 3.5097 3.5097 3.6025 3.6025 3.7599 3.7599 3.8699 3.8699 3.9728 3.9728 4.0220 4.0220 4.3867 4.3867 4.6578 4.6578 5.1335 5.1335 5.3363 5.3363 5.3835 5.3835 6.7846 6.7846 7.0638 7.0638 7.3835 7.3835 7.7656 7.7656 7.8553 7.8553 9.4409 9.4409 10.6127 10.6127 11.4577 11.4577 12.1335 12.1335 k = 0.0625 0.1083-0.0000 ( 4239 PWs) bands (ev): -18.7726 -18.7726 -5.6476 -5.6476 -4.4798 -4.4798 -4.1271 -4.1271 -3.2389 -3.2389 -2.5881 -2.5881 3.5172 3.5172 3.6017 3.6017 3.7518 3.7518 3.8660 3.8660 3.9597 3.9597 4.0041 4.0041 4.3823 4.3823 4.6544 4.6544 5.1382 5.1382 5.3407 5.3407 5.3812 5.3812 6.8302 6.8302 7.0822 7.0822 7.4588 7.4588 7.7956 7.7956 7.8619 7.8619 9.3620 9.3620 10.6067 10.6067 11.4353 11.4353 12.0780 12.0780 k = 0.0556 0.0962-0.0000 ( 4243 PWs) bands (ev): -18.7736 -18.7736 -5.6480 -5.6480 -4.4642 -4.4642 -4.1385 -4.1385 -3.2461 -3.2461 -2.5756 -2.5756 3.5239 3.5239 3.6024 3.6024 3.7436 3.7436 3.8630 3.8630 3.9456 3.9456 3.9889 3.9889 4.3782 4.3782 4.6514 4.6514 5.1431 5.1431 5.3447 5.3447 5.3790 5.3790 6.8737 6.8737 7.0989 7.0989 7.5340 7.5340 7.8165 7.8165 7.8707 7.8707 9.2842 9.2842 10.6067 10.6067 11.4129 11.4129 12.0277 12.0277 k = 0.0486 0.0842-0.0000 ( 4247 PWs) bands (ev): -18.7745 -18.7745 -5.6486 -5.6486 -4.4484 -4.4484 -4.1504 -4.1504 -3.2526 -3.2526 -2.5644 -2.5644 3.5295 3.5295 3.6043 3.6043 3.7355 3.7355 3.8607 3.8607 3.9310 3.9310 3.9765 3.9765 4.3745 4.3745 4.6489 4.6489 5.1479 5.1479 5.3481 5.3481 5.3769 5.3769 6.9141 6.9141 7.1147 7.1147 7.6079 7.6079 7.8266 7.8266 7.8838 7.8838 9.2084 9.2084 10.6124 10.6124 11.3911 11.3911 11.9828 11.9828 k = 0.0417 0.0722-0.0000 ( 4247 PWs) bands (ev): -18.7753 -18.7753 -5.6492 -5.6492 -4.4327 -4.4327 -4.1626 -4.1626 -3.2584 -3.2584 -2.5545 -2.5545 3.5340 3.5340 3.6075 3.6075 3.7277 3.7277 3.8592 3.8592 3.9165 3.9165 3.9664 3.9664 4.3710 4.3710 4.6468 4.6468 5.1525 5.1525 5.3511 5.3511 5.3750 5.3750 6.9506 6.9506 7.1298 7.1298 7.6794 7.6794 7.8283 7.8283 7.8989 7.8989 9.1354 9.1354 10.6231 10.6231 11.3707 11.3707 11.9434 11.9434 k = 0.0347 0.0601-0.0000 ( 4247 PWs) bands (ev): -18.7760 -18.7760 -5.6498 -5.6498 -4.4173 -4.4173 -4.1748 -4.1748 -3.2633 -3.2633 -2.5460 -2.5460 3.5375 3.5375 3.6116 3.6116 3.7205 3.7205 3.8582 3.8582 3.9030 3.9030 3.9582 3.9582 4.3681 4.3681 4.6451 4.6451 5.1568 5.1568 5.3536 5.3536 5.3734 5.3734 6.9821 6.9821 7.1446 7.1446 7.7463 7.7463 7.8261 7.8261 7.9131 7.9131 9.0666 9.0666 10.6377 10.6377 11.3521 11.3521 11.9095 11.9095 k = 0.0278 0.0481-0.0000 ( 4247 PWs) bands (ev): -18.7766 -18.7766 -5.6504 -5.6504 -4.4029 -4.4029 -4.1865 -4.1865 -3.2674 -3.2674 -2.5390 -2.5390 3.5401 3.5401 3.6161 3.6161 3.7139 3.7139 3.8578 3.8578 3.8910 3.8910 3.9516 3.9516 4.3655 4.3655 4.6438 4.6438 5.1604 5.1604 5.3555 5.3555 5.3721 5.3721 7.0078 7.0078 7.1592 7.1592 7.8005 7.8005 7.8283 7.8283 7.9252 7.9252 9.0039 9.0039 10.6543 10.6543 11.3360 11.3360 11.8804 11.8804 k = 0.0208 0.0361-0.0000 ( 4255 PWs) bands (ev): -18.7770 -18.7770 -5.6509 -5.6509 -4.3900 -4.3900 -4.1972 -4.1972 -3.2706 -3.2706 -2.5335 -2.5335 3.5418 3.5418 3.6205 3.6205 3.7083 3.7083 3.8579 3.8579 3.8808 3.8808 3.9466 3.9466 4.3635 4.3635 4.6428 4.6428 5.1635 5.1635 5.3568 5.3568 5.3711 5.3711 7.0273 7.0273 7.1727 7.1727 7.8083 7.8083 7.8676 7.8676 7.9348 7.9348 8.9498 8.9498 10.6708 10.6708 11.3228 11.3228 11.8557 11.8557 k = 0.0139 0.0241-0.0000 ( 4255 PWs) bands (ev): -18.7774 -18.7774 -5.6512 -5.6512 -4.3796 -4.3796 -4.2060 -4.2060 -3.2729 -3.2729 -2.5295 -2.5295 3.5430 3.5430 3.6243 3.6243 3.7040 3.7040 3.8586 3.8586 3.8728 3.8728 3.9430 3.9430 4.3620 4.3620 4.6421 4.6421 5.1657 5.1657 5.3576 5.3576 5.3705 5.3705 7.0406 7.0406 7.1841 7.1841 7.8039 7.8039 7.9075 7.9075 7.9425 7.9425 8.9073 8.9073 10.6850 10.6850 11.3131 11.3131 11.8350 11.8350 k = 0.0069 0.0120-0.0000 ( 4251 PWs) bands (ev): -18.7776 -18.7776 -5.6515 -5.6515 -4.3727 -4.3727 -4.2120 -4.2120 -3.2743 -3.2743 -2.5271 -2.5271 3.5436 3.5436 3.6268 3.6268 3.7011 3.7011 3.8599 3.8599 3.8669 3.8669 3.9408 3.9408 4.3612 4.3612 4.6417 4.6417 5.1671 5.1671 5.3580 5.3580 5.3702 5.3702 7.0483 7.0483 7.1917 7.1917 7.8002 7.8002 7.9309 7.9309 7.9499 7.9499 8.8798 8.8798 10.6947 10.6947 11.3070 11.3070 11.8203 11.8203 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6515 -5.6515 -4.3702 -4.3702 -4.2141 -4.2141 -3.2747 -3.2747 -2.5263 -2.5263 3.5439 3.5439 3.6278 3.6278 3.7002 3.7002 3.8616 3.8616 3.8638 3.8638 3.9400 3.9400 4.3609 4.3609 4.6416 4.6416 5.1676 5.1676 5.3581 5.3581 5.3702 5.3702 7.0508 7.0508 7.1944 7.1944 7.7989 7.7989 7.9369 7.9369 7.9547 7.9547 8.8703 8.8703 10.6981 10.6981 11.3050 11.3050 11.8149 11.8149 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6515 -5.6515 -4.3702 -4.3702 -4.2141 -4.2141 -3.2747 -3.2747 -2.5263 -2.5263 3.5439 3.5439 3.6278 3.6278 3.7002 3.7002 3.8616 3.8616 3.8638 3.8638 3.9400 3.9400 4.3609 4.3609 4.6416 4.6416 5.1676 5.1676 5.3581 5.3581 5.3702 5.3702 7.0508 7.0508 7.1944 7.1944 7.7989 7.7989 7.9369 7.9369 7.9547 7.9547 8.8703 8.8703 10.6981 10.6981 11.3050 11.3050 11.8149 11.8149 k = 0.0000 0.0000 0.0139 ( 4259 PWs) bands (ev): -18.7776 -18.7776 -5.6517 -5.6517 -4.3714 -4.3714 -4.2124 -4.2124 -3.2747 -3.2747 -2.5267 -2.5267 3.5431 3.5431 3.6256 3.6256 3.7009 3.7009 3.8300 3.8300 3.8966 3.8966 3.9414 3.9414 4.3612 4.3612 4.6419 4.6419 5.1674 5.1674 5.3578 5.3578 5.3698 5.3698 7.0515 7.0515 7.1947 7.1947 7.7940 7.7940 7.9356 7.9356 7.9531 7.9531 8.8779 8.8779 10.6956 10.6956 11.3074 11.3074 11.8157 11.8157 k = 0.0000 0.0000 0.0277 ( 4259 PWs) bands (ev): -18.7776 -18.7776 -5.6523 -5.6523 -4.3745 -4.3745 -4.2074 -4.2074 -3.2747 -3.2747 -2.5280 -2.5280 3.5409 3.5409 3.6191 3.6191 3.7032 3.7032 3.7996 3.7996 3.9272 3.9272 3.9489 3.9489 4.3625 4.3625 4.6429 4.6429 5.1670 5.1670 5.3571 5.3571 5.3689 5.3689 7.0536 7.0536 7.1958 7.1958 7.7800 7.7800 7.9320 7.9320 7.9485 7.9485 8.9004 8.9004 10.6885 10.6885 11.3146 11.3146 11.8180 11.8180 k = 0.0000 0.0000 0.0416 ( 4259 PWs) bands (ev): -18.7776 -18.7776 -5.6533 -5.6533 -4.3794 -4.3794 -4.1995 -4.1995 -3.2747 -3.2747 -2.5300 -2.5300 3.5373 3.5373 3.6083 3.6083 3.7067 3.7067 3.7724 3.7724 3.9399 3.9399 3.9765 3.9765 4.3644 4.3644 4.6446 4.6446 5.1664 5.1664 5.3558 5.3558 5.3674 5.3674 7.0570 7.0570 7.1976 7.1976 7.7580 7.7580 7.9259 7.9259 7.9409 7.9409 8.9363 8.9363 10.6770 10.6770 11.3261 11.3261 11.8217 11.8217 k = 0.0000 0.0000 0.0554 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6546 -5.6546 -4.3854 -4.3854 -4.1893 -4.1893 -3.2748 -3.2748 -2.5328 -2.5328 3.5327 3.5327 3.5933 3.5933 3.7114 3.7114 3.7487 3.7487 3.9454 3.9454 4.0127 4.0127 4.3672 4.3672 4.6470 4.6470 5.1655 5.1655 5.3541 5.3541 5.3654 5.3654 7.0617 7.0617 7.2001 7.2001 7.7297 7.7297 7.9176 7.9176 7.9303 7.9303 8.9839 8.9839 10.6619 10.6619 11.3414 11.3414 11.8265 11.8265 k = 0.0000 0.0000 0.0693 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6563 -5.6563 -4.3922 -4.3922 -4.1773 -4.1773 -3.2748 -3.2748 -2.5364 -2.5364 3.5272 3.5272 3.5745 3.5745 3.7169 3.7169 3.7285 3.7285 3.9508 3.9508 4.0501 4.0501 4.3706 4.3706 4.6500 4.6500 5.1644 5.1644 5.3520 5.3520 5.3628 5.3628 7.0678 7.0678 7.2032 7.2032 7.6968 7.6968 7.9071 7.9071 7.9170 7.9170 9.0413 9.0413 10.6438 10.6438 11.3599 11.3599 11.8321 11.8321 k = 0.0000 0.0000 0.0831 ( 4235 PWs) bands (ev): -18.7776 -18.7776 -5.6582 -5.6582 -4.3993 -4.3993 -4.1641 -4.1641 -3.2748 -3.2748 -2.5406 -2.5406 3.5212 3.5212 3.5528 3.5528 3.7115 3.7115 3.7230 3.7230 3.9564 3.9564 4.0877 4.0877 4.3747 4.3747 4.6535 4.6535 5.1633 5.1633 5.3495 5.3495 5.3598 5.3598 7.0752 7.0752 7.2070 7.2070 7.6611 7.6611 7.8948 7.8948 7.9012 7.9012 9.1064 9.1064 10.6236 10.6236 11.3809 11.3809 11.8381 11.8381 k = 0.0000 0.0000 0.0970 ( 4235 PWs) bands (ev): -18.7776 -18.7776 -5.6605 -5.6605 -4.4064 -4.4064 -4.1499 -4.1499 -3.2748 -3.2748 -2.5454 -2.5454 3.5147 3.5147 3.5294 3.5294 3.6969 3.6969 3.7295 3.7295 3.9624 3.9624 4.1248 4.1248 4.3792 4.3792 4.6574 4.6574 5.1619 5.1619 5.3465 5.3465 5.3563 5.3563 7.0839 7.0839 7.2114 7.2114 7.6239 7.6239 7.8806 7.8806 7.8830 7.8830 9.1776 9.1776 10.6019 10.6019 11.4040 11.4040 11.8441 11.8441 k = 0.0000 0.0000 0.1108 ( 4241 PWs) bands (ev): -18.7776 -18.7776 -5.6629 -5.6629 -4.4134 -4.4134 -4.1351 -4.1351 -3.2748 -3.2748 -2.5508 -2.5508 3.5051 3.5051 3.5080 3.5080 3.6842 3.6842 3.7362 3.7362 3.9686 3.9686 4.1612 4.1612 4.3841 4.3841 4.6617 4.6617 5.1605 5.1605 5.3433 5.3433 5.3524 5.3524 7.0938 7.0938 7.2164 7.2164 7.5864 7.5864 7.8627 7.8627 7.8650 7.8650 9.2534 9.2534 10.5794 10.5794 11.4287 11.4287 11.8499 11.8499 k = 0.0000 0.0000 0.1247 ( 4253 PWs) bands (ev): -18.7776 -18.7776 -5.6654 -5.6654 -4.4202 -4.4202 -4.1201 -4.1201 -3.2748 -3.2748 -2.5565 -2.5565 3.4807 3.4807 3.5012 3.5012 3.6729 3.6729 3.7429 3.7429 3.9749 3.9749 4.1965 4.1965 4.3895 4.3895 4.6664 4.6664 5.1590 5.1590 5.3398 5.3398 5.3481 5.3481 7.1050 7.1050 7.2219 7.2219 7.5494 7.5494 7.8406 7.8406 7.8481 7.8481 9.3323 9.3323 10.5565 10.5565 11.4547 11.4547 11.8551 11.8551 k = 0.0000 0.0000 0.1386 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6681 -5.6681 -4.4266 -4.4266 -4.1050 -4.1050 -3.2748 -3.2748 -2.5626 -2.5626 3.4569 3.4569 3.4946 3.4946 3.6626 3.6626 3.7496 3.7496 3.9812 3.9812 4.2304 4.2304 4.3951 4.3951 4.6713 4.6713 5.1575 5.1575 5.3362 5.3362 5.3437 5.3437 7.1173 7.1173 7.2277 7.2277 7.5137 7.5137 7.8170 7.8170 7.8302 7.8302 9.4132 9.4132 10.5339 10.5339 11.4817 11.4817 11.8596 11.8596 k = 0.0000 0.0000 0.1524 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6708 -5.6708 -4.4325 -4.4325 -4.0900 -4.0900 -3.2749 -3.2749 -2.5688 -2.5688 3.4342 3.4342 3.4882 3.4882 3.6533 3.6533 3.7562 3.7562 3.9874 3.9874 4.2627 4.2627 4.4008 4.4008 4.6763 4.6763 5.1562 5.1562 5.3325 5.3325 5.3391 5.3391 7.1308 7.1308 7.2339 7.2339 7.4799 7.4799 7.7921 7.7921 7.8116 7.8116 9.4947 9.4947 10.5118 10.5118 11.5096 11.5096 11.8631 11.8631 k = 0.0000 0.0000 0.1663 ( 4247 PWs) bands (ev): -18.7776 -18.7776 -5.6735 -5.6735 -4.4380 -4.4380 -4.0756 -4.0756 -3.2749 -3.2749 -2.5752 -2.5752 3.4127 3.4127 3.4820 3.4820 3.6448 3.6448 3.7624 3.7624 3.9933 3.9933 4.2930 4.2930 4.4065 4.4065 4.6814 4.6814 5.1550 5.1550 5.3288 5.3288 5.3344 5.3344 7.1452 7.1452 7.2400 7.2400 7.4487 7.4487 7.7663 7.7663 7.7926 7.7926 9.5757 9.5757 10.4907 10.4907 11.5384 11.5384 11.8652 11.8652 k = 0.0000 0.0000 0.1801 ( 4235 PWs) bands (ev): -18.7776 -18.7776 -5.6761 -5.6761 -4.4430 -4.4430 -4.0617 -4.0617 -3.2749 -3.2749 -2.5815 -2.5815 3.3929 3.3929 3.4763 3.4763 3.6371 3.6371 3.7683 3.7683 3.9989 3.9989 4.3212 4.3212 4.4122 4.4122 4.6863 4.6863 5.1539 5.1539 5.3251 5.3251 5.3297 5.3297 7.1605 7.1605 7.2459 7.2459 7.4204 7.4204 7.7400 7.7400 7.7736 7.7736 9.6550 9.6550 10.4709 10.4709 11.5679 11.5679 11.8623 11.8623 k = 0.0000 0.0000 0.1940 ( 4229 PWs) bands (ev): -18.7776 -18.7776 -5.6786 -5.6786 -4.4474 -4.4474 -4.0486 -4.0486 -3.2749 -3.2749 -2.5876 -2.5876 3.3748 3.3748 3.4710 3.4710 3.6302 3.6302 3.7737 3.7737 4.0041 4.0041 4.3468 4.3468 4.4179 4.4179 4.6911 4.6911 5.1531 5.1531 5.3215 5.3215 5.3252 5.3252 7.1765 7.1765 7.2511 7.2511 7.3958 7.3958 7.7136 7.7136 7.7548 7.7548 9.7312 9.7312 10.4526 10.4526 11.5982 11.5982 11.8590 11.8590 k = 0.0000 0.0000 0.2078 ( 4230 PWs) bands (ev): -18.7776 -18.7776 -5.6809 -5.6809 -4.4513 -4.4513 -4.0366 -4.0366 -3.2749 -3.2749 -2.5934 -2.5934 3.3586 3.3586 3.4662 3.4662 3.6240 3.6240 3.7787 3.7787 4.0088 4.0088 4.3695 4.3695 4.4235 4.4235 4.6956 4.6956 5.1524 5.1524 5.3181 5.3181 5.3208 5.3208 7.1930 7.1930 7.2549 7.2549 7.3754 7.3754 7.6874 7.6874 7.7367 7.7367 9.8031 9.8031 10.4361 10.4361 11.6290 11.6290 11.8556 11.8556 k = 0.0000 0.0000 0.2217 ( 4230 PWs) bands (ev): -18.7776 -18.7776 -5.6830 -5.6830 -4.4547 -4.4547 -4.0257 -4.0257 -3.2749 -3.2749 -2.5987 -2.5987 3.3443 3.3443 3.4619 3.4619 3.6186 3.6186 3.7830 3.7830 4.0130 4.0130 4.3889 4.3889 4.4293 4.4293 4.6997 4.6997 5.1519 5.1519 5.3150 5.3150 5.3168 5.3168 7.2095 7.2095 7.2567 7.2567 7.3599 7.3599 7.6620 7.6620 7.7197 7.7197 9.8691 9.8691 10.4214 10.4214 11.6601 11.6601 11.8523 11.8523 k = 0.0000 0.0000 0.2356 ( 4218 PWs) bands (ev): -18.7776 -18.7776 -5.6849 -5.6849 -4.4576 -4.4576 -4.0163 -4.0163 -3.2749 -3.2749 -2.6035 -2.6035 3.3321 3.3321 3.4582 3.4582 3.6140 3.6140 3.7869 3.7869 4.0167 4.0167 4.4044 4.4044 4.4356 4.4356 4.7034 4.7034 5.1516 5.1516 5.3122 5.3122 5.3132 5.3132 7.2258 7.2258 7.2560 7.2560 7.3497 7.3497 7.6380 7.6380 7.7042 7.7042 9.9280 9.9280 10.4089 10.4089 11.6908 11.6908 11.8491 11.8491 k = 0.0000 0.0000 0.2494 ( 4218 PWs) bands (ev): -18.7776 -18.7776 -5.6864 -5.6864 -4.4599 -4.4599 -4.0083 -4.0083 -3.2750 -3.2750 -2.6075 -2.6075 3.3221 3.3221 3.4552 3.4552 3.6102 3.6102 3.7900 3.7900 4.0197 4.0197 4.4155 4.4155 4.4426 4.4426 4.7065 4.7065 5.1514 5.1514 5.3099 5.3099 5.3100 5.3100 7.2412 7.2412 7.2530 7.2530 7.3442 7.3442 7.6161 7.6161 7.6905 7.6905 9.9784 9.9784 10.3986 10.3986 11.7201 11.7201 11.8463 11.8463 k = 0.0000 0.0000 0.2633 ( 4224 PWs) bands (ev): -18.7776 -18.7776 -5.6877 -5.6877 -4.4618 -4.4618 -4.0019 -4.0019 -3.2750 -3.2750 -2.6108 -2.6108 3.3142 3.3142 3.4528 3.4528 3.6071 3.6071 3.7925 3.7925 4.0221 4.0221 4.4226 4.4226 4.4498 4.4498 4.7090 4.7090 5.1513 5.1513 5.3075 5.3075 5.3080 5.3080 7.2489 7.2489 7.2548 7.2548 7.3422 7.3422 7.5972 7.5972 7.6793 7.6793 10.0191 10.0191 10.3906 10.3906 11.7464 11.7464 11.8440 11.8440 k = 0.0000 0.0000 0.2771 ( 4236 PWs) bands (ev): -18.7776 -18.7776 -5.6886 -5.6886 -4.4631 -4.4631 -3.9973 -3.9973 -3.2750 -3.2750 -2.6132 -2.6132 3.3085 3.3085 3.4510 3.4510 3.6050 3.6050 3.7943 3.7943 4.0238 4.0238 4.4267 4.4267 4.4559 4.4559 4.7108 4.7108 5.1511 5.1511 5.3056 5.3056 5.3065 5.3065 7.2449 7.2449 7.2658 7.2658 7.3420 7.3420 7.5825 7.5825 7.6709 7.6709 10.0489 10.0489 10.3848 10.3848 11.7676 11.7676 11.8423 11.8423 k = 0.0000 0.0000 0.2910 ( 4242 PWs) bands (ev): -18.7776 -18.7776 -5.6891 -5.6891 -4.4638 -4.4638 -3.9945 -3.9945 -3.2750 -3.2750 -2.6147 -2.6147 3.3051 3.3051 3.4500 3.4500 3.6037 3.6037 3.7954 3.7954 4.0249 4.0249 4.4289 4.4289 4.4599 4.4599 4.7119 4.7119 5.1511 5.1511 5.3044 5.3044 5.3057 5.3057 7.2422 7.2422 7.2729 7.2729 7.3423 7.3423 7.5730 7.5730 7.6656 7.6656 10.0671 10.0671 10.3814 10.3814 11.7815 11.7815 11.8412 11.8412 k = 0.0000 0.0000 0.3048 ( 4242 PWs) bands (ev): -18.7776 -18.7776 -5.6893 -5.6893 -4.4641 -4.4641 -3.9936 -3.9936 -3.2750 -3.2750 -2.6152 -2.6152 3.3039 3.3039 3.4496 3.4496 3.6033 3.6033 3.7957 3.7957 4.0252 4.0252 4.4296 4.4296 4.4613 4.4613 4.7122 4.7122 5.1511 5.1511 5.3040 5.3040 5.3054 5.3054 7.2412 7.2412 7.2754 7.2754 7.3426 7.3426 7.5697 7.5697 7.6639 7.6639 10.0732 10.0732 10.3803 10.3803 11.7863 11.7863 11.8409 11.8409 k = 0.0000 0.0000 0.3048 ( 4242 PWs) bands (ev): -18.7776 -18.7776 -5.6893 -5.6893 -4.4641 -4.4641 -3.9936 -3.9936 -3.2750 -3.2750 -2.6152 -2.6152 3.3039 3.3039 3.4496 3.4496 3.6033 3.6033 3.7957 3.7957 4.0252 4.0252 4.4296 4.4296 4.4613 4.4613 4.7122 4.7122 5.1511 5.1511 5.3040 5.3040 5.3054 5.3054 7.2412 7.2412 7.2754 7.2754 7.3426 7.3426 7.5697 7.5697 7.6639 7.6639 10.0732 10.0732 10.3803 10.3803 11.7863 11.7863 11.8409 11.8409 k = 0.0119 0.0069 0.3048 ( 4242 PWs) bands (ev): -18.7775 -18.7775 -5.6892 -5.6892 -4.4649 -4.4649 -3.9936 -3.9936 -3.2742 -3.2742 -2.6158 -2.6158 3.3044 3.3044 3.4498 3.4498 3.6032 3.6032 3.7960 3.7960 4.0254 4.0254 4.4296 4.4296 4.4612 4.4612 4.7119 4.7119 5.1506 5.1506 5.3043 5.3043 5.3060 5.3060 7.2413 7.2413 7.2751 7.2751 7.3422 7.3422 7.5665 7.5665 7.6607 7.6607 10.0798 10.0798 10.3790 10.3790 11.7863 11.7863 11.8368 11.8368 k = 0.0238 0.0137 0.3048 ( 4238 PWs) bands (ev): -18.7773 -18.7773 -5.6887 -5.6887 -4.4673 -4.4673 -3.9937 -3.9937 -3.2718 -3.2718 -2.6177 -2.6177 3.3060 3.3060 3.4502 3.4502 3.6031 3.6031 3.7970 3.7970 4.0261 4.0261 4.4296 4.4296 4.4610 4.4610 4.7110 4.7110 5.1492 5.1492 5.3046 5.3046 5.3082 5.3082 7.2415 7.2415 7.2740 7.2740 7.3412 7.3412 7.5566 7.5566 7.6518 7.6518 10.0991 10.0991 10.3755 10.3755 11.7855 11.7855 11.8199 11.8199 k = 0.0357 0.0206 0.3048 ( 4246 PWs) bands (ev): -18.7770 -18.7770 -5.6878 -5.6878 -4.4713 -4.4713 -3.9939 -3.9939 -3.2679 -3.2679 -2.6208 -2.6208 3.3084 3.3084 3.4510 3.4510 3.6031 3.6031 3.7986 3.7986 4.0271 4.0271 4.4295 4.4295 4.4607 4.4607 4.7096 4.7096 5.1471 5.1471 5.3048 5.3048 5.3121 5.3121 7.2417 7.2417 7.2720 7.2720 7.3393 7.3393 7.5392 7.5392 7.6389 7.6389 10.1304 10.1304 10.3700 10.3700 11.7734 11.7734 11.7998 11.7998 k = 0.0476 0.0275 0.3048 ( 4252 PWs) bands (ev): -18.7766 -18.7766 -5.6867 -5.6867 -4.4767 -4.4767 -3.9942 -3.9942 -3.2625 -3.2625 -2.6252 -2.6252 3.3118 3.3118 3.4520 3.4520 3.6033 3.6033 3.8008 3.8008 4.0286 4.0286 4.4292 4.4292 4.4603 4.4603 4.7075 4.7075 5.1445 5.1445 5.3049 5.3049 5.3172 5.3172 7.2414 7.2414 7.2689 7.2689 7.3358 7.3358 7.5144 7.5144 7.6241 7.6241 10.1726 10.1726 10.3632 10.3632 11.7343 11.7343 11.7971 11.7971 k = 0.0595 0.0344 0.3048 ( 4256 PWs) bands (ev): -18.7760 -18.7760 -5.6853 -5.6853 -4.4834 -4.4834 -3.9946 -3.9946 -3.2557 -3.2557 -2.6307 -2.6307 3.3159 3.3159 3.4532 3.4532 3.6039 3.6039 3.8037 3.8037 4.0306 4.0306 4.4284 4.4284 4.4599 4.4599 4.7050 4.7050 5.1417 5.1417 5.3050 5.3050 5.3233 5.3233 7.2399 7.2399 7.2645 7.2645 7.3299 7.3299 7.4834 7.4834 7.6089 7.6089 10.2233 10.2233 10.3566 10.3566 11.6849 11.6849 11.7990 11.7990 k = 0.0714 0.0412 0.3048 ( 4264 PWs) bands (ev): -18.7753 -18.7753 -5.6837 -5.6837 -4.4911 -4.4911 -3.9951 -3.9951 -3.2477 -3.2477 -2.6374 -2.6374 3.3206 3.3206 3.4547 3.4547 3.6052 3.6052 3.8072 3.8072 4.0331 4.0331 4.4270 4.4270 4.4594 4.4594 4.7021 4.7021 5.1389 5.1389 5.3052 5.3052 5.3301 5.3301 7.2354 7.2354 7.2586 7.2586 7.3201 7.3201 7.4500 7.4500 7.5941 7.5941 10.2767 10.2767 10.3552 10.3552 11.6311 11.6311 11.8022 11.8022 k = 0.0833 0.0481 0.3048 ( 4264 PWs) bands (ev): -18.7746 -18.7746 -5.6818 -5.6818 -4.4998 -4.4998 -3.9958 -3.9958 -3.2387 -3.2387 -2.6453 -2.6453 3.3256 3.3256 3.4566 3.4566 3.6074 3.6074 3.8114 3.8114 4.0362 4.0362 4.4250 4.4250 4.4589 4.4589 4.6988 4.6988 5.1363 5.1363 5.3052 5.3052 5.3374 5.3374 7.2234 7.2234 7.2516 7.2516 7.3053 7.3053 7.4198 7.4198 7.5801 7.5801 10.3087 10.3087 10.3824 10.3824 11.5756 11.5756 11.8060 11.8060 k = 0.0952 0.0550 0.3048 ( 4262 PWs) bands (ev): -18.7737 -18.7737 -5.6799 -5.6799 -4.5091 -4.5091 -3.9967 -3.9967 -3.2287 -3.2287 -2.6541 -2.6541 3.3306 3.3306 3.4591 3.4591 3.6108 3.6108 3.8162 3.8162 4.0398 4.0398 4.4223 4.4223 4.4582 4.4582 4.6953 4.6953 5.1342 5.1342 5.3053 5.3053 5.3451 5.3451 7.1970 7.1970 7.2436 7.2436 7.2883 7.2883 7.3975 7.3975 7.5674 7.5674 10.3103 10.3103 10.4461 10.4461 11.5199 11.5199 11.8103 11.8103 k = 0.1071 0.0619 0.3048 ( 4258 PWs) bands (ev): -18.7727 -18.7727 -5.6779 -5.6779 -4.5189 -4.5189 -3.9978 -3.9978 -3.2180 -3.2180 -2.6639 -2.6639 3.3354 3.3354 3.4624 3.4624 3.6154 3.6154 3.8217 3.8217 4.0440 4.0440 4.4188 4.4188 4.4572 4.4572 4.6916 4.6916 5.1325 5.1325 5.3053 5.3053 5.3529 5.3529 7.1533 7.1533 7.2330 7.2330 7.2741 7.2741 7.3828 7.3828 7.5564 7.5564 10.3056 10.3056 10.5214 10.5214 11.4655 11.4655 11.8151 11.8151 k = 0.1190 0.0687 0.3048 ( 4262 PWs) bands (ev): -18.7716 -18.7716 -5.6759 -5.6759 -4.5289 -4.5289 -3.9991 -3.9991 -3.2068 -3.2068 -2.6746 -2.6746 3.3394 3.3394 3.4669 3.4669 3.6214 3.6214 3.8278 3.8278 4.0488 4.0488 4.4145 4.4145 4.4558 4.4558 4.6877 4.6877 5.1313 5.1313 5.3052 5.3052 5.3607 5.3607 7.0962 7.0962 7.2186 7.2186 7.2626 7.2626 7.3732 7.3732 7.5475 7.5475 10.3011 10.3011 10.6003 10.6003 11.4139 11.4139 11.8203 11.8203 k = 0.1310 0.0756 0.3048 ( 4262 PWs) bands (ev): -18.7704 -18.7704 -5.6740 -5.6740 -4.5388 -4.5388 -4.0006 -4.0006 -3.1953 -3.1953 -2.6861 -2.6861 3.3425 3.3425 3.4730 3.4730 3.6287 3.6287 3.8345 3.8345 4.0542 4.0542 4.4095 4.4095 4.4539 4.4539 4.6840 4.6840 5.1306 5.1306 5.3051 5.3051 5.3684 5.3684 7.0311 7.0311 7.1999 7.1999 7.2516 7.2516 7.3668 7.3668 7.5410 7.5410 10.2988 10.2988 10.6788 10.6788 11.3672 11.3672 11.8258 11.8258 k = 0.1429 0.0825 0.3048 ( 4258 PWs) bands (ev): -18.7691 -18.7691 -5.6723 -5.6723 -4.5485 -4.5485 -4.0024 -4.0024 -3.1838 -3.1838 -2.6981 -2.6981 3.3442 3.3442 3.4809 3.4809 3.6374 3.6374 3.8420 3.8420 4.0603 4.0603 4.4037 4.4037 4.4515 4.4515 4.6804 4.6804 5.1304 5.1304 5.3049 5.3049 5.3760 5.3760 6.9612 6.9612 7.1769 7.1769 7.2390 7.2390 7.3625 7.3625 7.5368 7.5368 10.2994 10.2994 10.7528 10.7528 11.3288 11.3288 11.8315 11.8315 k = 0.1548 0.0894 0.3048 ( 4258 PWs) bands (ev): -18.7677 -18.7677 -5.6708 -5.6708 -4.5577 -4.5577 -4.0042 -4.0042 -3.1726 -3.1726 -2.7106 -2.7106 3.3446 3.3446 3.4908 3.4908 3.6474 3.6474 3.8501 3.8501 4.0671 4.0671 4.3973 4.3973 4.4486 4.4486 4.6771 4.6771 5.1305 5.1305 5.3046 5.3046 5.3833 5.3833 6.8884 6.8884 7.1496 7.1496 7.2240 7.2240 7.3599 7.3599 7.5349 7.5349 10.3037 10.3037 10.8162 10.8162 11.3038 11.3038 11.8374 11.8374 k = 0.1667 0.0962 0.3048 ( 4250 PWs) bands (ev): -18.7663 -18.7663 -5.6696 -5.6696 -4.5662 -4.5662 -4.0063 -4.0063 -3.1619 -3.1619 -2.7232 -2.7232 3.3438 3.3438 3.5026 3.5026 3.6586 3.6586 3.8590 3.8590 4.0745 4.0745 4.3902 4.3902 4.4452 4.4452 4.6741 4.6741 5.1308 5.1308 5.3043 5.3043 5.3904 5.3904 6.8142 6.8142 7.1185 7.1185 7.2062 7.2062 7.3585 7.3585 7.5349 7.5349 10.3120 10.3120 10.8610 10.8610 11.2998 11.2998 11.8433 11.8433 k = 0.1786 0.1031 0.3048 ( 4250 PWs) bands (ev): -18.7648 -18.7648 -5.6688 -5.6688 -4.5739 -4.5739 -4.0084 -4.0084 -3.1523 -3.1523 -2.7358 -2.7358 3.3419 3.3419 3.5163 3.5163 3.6708 3.6708 3.8686 3.8686 4.0826 4.0826 4.3824 4.3824 4.4414 4.4414 4.6717 4.6717 5.1310 5.1310 5.3039 5.3039 5.3971 5.3971 6.7394 6.7394 7.0838 7.0838 7.1853 7.1853 7.3580 7.3580 7.5364 7.5364 10.3247 10.3247 10.8809 10.8809 11.3227 11.3227 11.8491 11.8491 k = 0.1905 0.1100 0.3048 ( 4250 PWs) bands (ev): -18.7633 -18.7633 -5.6685 -5.6685 -4.5805 -4.5805 -4.0107 -4.0107 -3.1439 -3.1439 -2.7479 -2.7479 3.3391 3.3391 3.5316 3.5316 3.6840 3.6840 3.8789 3.8789 4.0914 4.0914 4.3740 4.3740 4.4373 4.4373 4.6699 4.6699 5.1310 5.1310 5.3035 5.3035 5.4033 5.4033 6.6646 6.6646 7.0460 7.0460 7.1614 7.1614 7.3579 7.3579 7.5391 7.5391 10.3419 10.3419 10.8771 10.8771 11.3705 11.3705 11.8548 11.8548 k = 0.2024 0.1168 0.3048 ( 4252 PWs) bands (ev): -18.7617 -18.7617 -5.6687 -5.6687 -4.5859 -4.5859 -4.0130 -4.0130 -3.1373 -3.1373 -2.7593 -2.7593 3.3356 3.3356 3.5484 3.5484 3.6981 3.6981 3.8900 3.8900 4.1007 4.1007 4.3651 4.3651 4.4329 4.4329 4.6688 4.6688 5.1306 5.1306 5.3031 5.3031 5.4091 5.4091 6.5906 6.5906 7.0055 7.0055 7.1342 7.1342 7.3580 7.3580 7.5426 7.5426 10.3635 10.3635 10.8573 10.8573 11.4353 11.4353 11.8600 11.8600 k = 0.2143 0.1237 0.3048 ( 4256 PWs) bands (ev): -18.7601 -18.7601 -5.6694 -5.6694 -4.5899 -4.5899 -4.0153 -4.0153 -3.1330 -3.1330 -2.7695 -2.7695 3.3318 3.3318 3.5664 3.5664 3.7130 3.7130 3.9018 3.9018 4.1105 4.1105 4.3557 4.3557 4.4284 4.4284 4.6686 4.6686 5.1295 5.1295 5.3028 5.3028 5.4144 5.4144 6.5177 6.5177 6.9629 6.9629 7.1039 7.1039 7.3582 7.3582 7.5469 7.5469 10.3895 10.3895 10.8291 10.8291 11.5092 11.5092 11.8647 11.8647 k = 0.2262 0.1306 0.3048 ( 4260 PWs) bands (ev): -18.7584 -18.7584 -5.6708 -5.6708 -4.5926 -4.5926 -4.0176 -4.0176 -3.1313 -3.1313 -2.7780 -2.7780 3.3276 3.3276 3.5855 3.5855 3.7285 3.7285 3.9144 3.9144 4.1208 4.1208 4.3459 4.3459 4.4239 4.4239 4.6693 4.6693 5.1276 5.1276 5.3027 5.3027 5.4189 5.4189 6.4464 6.4464 6.9185 6.9185 7.0702 7.0702 7.3582 7.3582 7.5515 7.5515 10.4195 10.4195 10.7973 10.7973 11.5870 11.5870 11.8686 11.8686 k = 0.2381 0.1375 0.3048 ( 4248 PWs) bands (ev): -18.7567 -18.7567 -5.6728 -5.6728 -4.5938 -4.5938 -4.0197 -4.0197 -3.1327 -3.1327 -2.7847 -2.7847 3.3233 3.3233 3.6055 3.6055 3.7447 3.7447 3.9276 3.9276 4.1315 4.1315 4.3359 4.3359 4.4194 4.4194 4.6710 4.6710 5.1249 5.1249 5.3026 5.3026 5.4228 5.4228 6.3773 6.3773 6.8726 6.8726 7.0334 7.0334 7.3579 7.3579 7.5565 7.5565 10.4527 10.4527 10.7651 10.7651 11.6655 11.6655 11.8717 11.8717 k = 0.2500 0.1443 0.3048 ( 4252 PWs) bands (ev): -18.7550 -18.7550 -5.6754 -5.6754 -4.5934 -4.5934 -4.0218 -4.0218 -3.1373 -3.1373 -2.7891 -2.7891 3.3190 3.3190 3.6261 3.6261 3.7614 3.7614 3.9416 3.9416 4.1423 4.1423 4.3258 4.3258 4.4150 4.4150 4.6738 4.6738 5.1211 5.1211 5.3028 5.3028 5.4258 5.4258 6.3106 6.3106 6.8255 6.8255 6.9935 6.9935 7.3574 7.3574 7.5617 7.5617 10.4881 10.4881 10.7348 10.7348 11.7428 11.7428 11.8736 11.8736 k = 0.2619 0.1512 0.3048 ( 4250 PWs) bands (ev): -18.7533 -18.7533 -5.6786 -5.6786 -4.5915 -4.5915 -4.0236 -4.0236 -3.1454 -3.1454 -2.7912 -2.7912 3.3147 3.3147 3.6473 3.6473 3.7786 3.7786 3.9561 3.9561 4.1531 4.1531 4.3159 4.3159 4.4109 4.4109 4.6776 4.6776 5.1162 5.1162 5.3032 5.3032 5.4278 5.4278 6.2469 6.2469 6.7776 6.7776 6.9506 6.9506 7.3565 7.3565 7.5669 7.5669 10.5235 10.5235 10.7089 10.7089 11.8177 11.8177 11.8744 11.8744 k = 0.2738 0.1581 0.3048 ( 4250 PWs) bands (ev): -18.7517 -18.7517 -5.6824 -5.6824 -4.5882 -4.5882 -4.0251 -4.0251 -3.1568 -3.1568 -2.7911 -2.7911 3.3105 3.3105 3.6686 3.6686 3.7964 3.7964 3.9712 3.9712 4.1638 4.1638 4.3063 4.3063 4.4072 4.4072 4.6824 4.6824 5.1102 5.1102 5.3038 5.3038 5.4285 5.4285 6.1865 6.1865 6.7291 6.7291 6.9048 6.9048 7.3554 7.3554 7.5722 7.5722 10.5535 10.5535 10.6926 10.6926 11.8726 11.8726 11.8907 11.8907 k = 0.2857 0.1650 0.3048 ( 4246 PWs) bands (ev): -18.7500 -18.7500 -5.6868 -5.6868 -4.5834 -4.5834 -4.0264 -4.0264 -3.1712 -3.1712 -2.7890 -2.7890 3.3064 3.3064 3.6899 3.6899 3.8147 3.8147 3.9867 3.9867 4.1740 4.1740 4.2974 4.2974 4.4040 4.4040 4.6883 4.6883 5.1032 5.1032 5.3049 5.3049 5.4278 5.4278 6.1297 6.1297 6.6802 6.6802 6.8565 6.8565 7.3540 7.3540 7.5773 7.5773 10.5682 10.5682 10.6955 10.6955 11.8712 11.8712 11.9583 11.9583 k = 0.2976 0.1718 0.3048 ( 4244 PWs) bands (ev): -18.7483 -18.7483 -5.6916 -5.6916 -4.5773 -4.5773 -4.0272 -4.0272 -3.1884 -3.1884 -2.7852 -2.7852 3.3025 3.3025 3.7109 3.7109 3.8335 3.8335 4.0026 4.0026 4.1833 4.1833 4.2896 4.2896 4.4015 4.4015 4.6950 4.6950 5.0952 5.0952 5.3063 5.3063 5.4254 5.4254 6.0770 6.0770 6.6312 6.6312 6.8059 6.8059 7.3524 7.3524 7.5824 7.5824 10.5636 10.5636 10.7210 10.7210 11.8678 11.8678 12.0227 12.0227 k = 0.3095 0.1787 0.3048 ( 4252 PWs) bands (ev): -18.7467 -18.7467 -5.6968 -5.6968 -4.5700 -4.5700 -4.0276 -4.0276 -3.2078 -3.2078 -2.7800 -2.7800 3.2988 3.2988 3.7313 3.7313 3.8530 3.8530 4.0187 4.0187 4.1912 4.1912 4.2831 4.2831 4.3997 4.3997 4.7025 4.7025 5.0865 5.0865 5.3083 5.3083 5.4212 5.4212 6.0286 6.0286 6.5822 6.5822 6.7534 6.7534 7.3506 7.3506 7.5872 7.5872 10.5487 10.5487 10.7594 10.7594 11.8632 11.8632 12.0835 12.0835 k = 0.3214 0.1856 0.3048 ( 4254 PWs) bands (ev): -18.7452 -18.7452 -5.7023 -5.7023 -4.5616 -4.5616 -4.0275 -4.0275 -3.2291 -3.2291 -2.7738 -2.7738 3.2953 3.2953 3.7508 3.7508 3.8730 3.8730 4.0349 4.0349 4.1972 4.1972 4.2786 4.2786 4.3988 4.3988 4.7106 4.7106 5.0773 5.0773 5.3108 5.3108 5.4151 5.4151 5.9846 5.9846 6.5336 6.5336 6.6994 6.6994 7.3487 7.3487 7.5919 7.5919 10.5306 10.5306 10.8025 10.8025 11.8576 11.8576 12.1410 12.1410 k = 0.3333 0.1925 0.3048 ( 4254 PWs) bands (ev): -18.7437 -18.7437 -5.7080 -5.7080 -4.5524 -4.5524 -4.0268 -4.0268 -3.2519 -3.2519 -2.7670 -2.7670 3.2921 3.2921 3.7691 3.7691 3.8936 3.8936 4.0510 4.0510 4.2009 4.2009 4.2763 4.2763 4.3991 4.3991 4.7189 4.7189 5.0679 5.0679 5.3140 5.3140 5.4070 5.4070 5.9453 5.9453 6.4854 6.4854 6.6444 6.6444 7.3468 7.3468 7.5963 7.5963 10.5122 10.5122 10.8466 10.8466 11.8513 11.8513 12.1957 12.1957 k = 0.3452 0.1993 0.3048 ( 4248 PWs) bands (ev): -18.7422 -18.7422 -5.7139 -5.7139 -4.5425 -4.5425 -4.0254 -4.0254 -3.2757 -3.2757 -2.7598 -2.7598 3.2891 3.2891 3.7859 3.7859 3.9149 3.9149 4.0670 4.0670 4.2022 4.2022 4.2763 4.2763 4.4007 4.4007 4.7272 4.7272 5.0588 5.0588 5.3180 5.3180 5.3971 5.3971 5.9105 5.9105 6.4380 6.4380 6.5890 6.5890 7.3449 7.3449 7.6005 7.6005 10.4945 10.4945 10.8898 10.8898 11.8446 11.8446 12.2483 12.2483 k = 0.3571 0.2062 0.3048 ( 4252 PWs) bands (ev): -18.7409 -18.7409 -5.7198 -5.7198 -4.5321 -4.5321 -4.0234 -4.0234 -3.3002 -3.3002 -2.7524 -2.7524 3.2864 3.2864 3.8011 3.8011 3.9365 3.9365 4.0826 4.0826 4.2016 4.2016 4.2778 4.2778 4.4037 4.4037 4.7348 4.7348 5.0505 5.0505 5.3226 5.3226 5.3856 5.3856 5.8800 5.8800 6.3916 6.3916 6.5336 6.5336 7.3430 7.3430 7.6043 7.6043 10.4780 10.4780 10.9307 10.9307 11.8378 11.8378 12.2998 12.2998 k = 0.3690 0.2131 0.3048 ( 4262 PWs) bands (ev): -18.7396 -18.7396 -5.7256 -5.7256 -4.5215 -4.5215 -4.0208 -4.0208 -3.3251 -3.3251 -2.7450 -2.7450 3.2840 3.2840 3.8146 3.8146 3.9583 3.9583 4.0977 4.0977 4.1997 4.1997 4.2800 4.2800 4.4082 4.4082 4.7413 4.7413 5.0438 5.0438 5.3278 5.3278 5.3732 5.3732 5.8531 5.8531 6.3463 6.3463 6.4790 6.4790 7.3412 7.3412 7.6079 7.6079 10.4628 10.4628 10.9685 10.9685 11.8314 11.8314 12.3506 12.3506 k = 0.3810 0.2199 0.3048 ( 4256 PWs) bands (ev): -18.7384 -18.7384 -5.7312 -5.7312 -4.5109 -4.5109 -4.0174 -4.0174 -3.3499 -3.3499 -2.7379 -2.7379 3.2818 3.2818 3.8263 3.8263 3.9802 3.9802 4.1121 4.1121 4.1972 4.1972 4.2823 4.2823 4.4142 4.4142 4.7461 4.7461 5.0393 5.0393 5.3321 5.3321 5.3618 5.3618 5.8295 5.8295 6.3024 6.3024 6.4260 6.4260 7.3395 7.3395 7.6112 7.6112 10.4488 10.4488 11.0026 11.0026 11.8255 11.8255 12.4014 12.4014 k = 0.3929 0.2268 0.3048 ( 4260 PWs) bands (ev): -18.7373 -18.7373 -5.7366 -5.7366 -4.5005 -4.5005 -4.0133 -4.0133 -3.3743 -3.3743 -2.7312 -2.7312 3.2799 3.2799 3.8362 3.8362 4.0017 4.0017 4.1258 4.1258 4.1945 4.1945 4.2841 4.2841 4.4215 4.4215 4.7487 4.7487 5.0377 5.0377 5.3308 5.3308 5.3566 5.3566 5.8084 5.8084 6.2602 6.2602 6.3753 6.3753 7.3379 7.3379 7.6142 7.6142 10.4362 10.4362 11.0327 11.0327 11.8202 11.8202 12.4522 12.4522 k = 0.4048 0.2337 0.3048 ( 4260 PWs) bands (ev): -18.7362 -18.7362 -5.7417 -5.7417 -4.4905 -4.4905 -4.0087 -4.0087 -3.3979 -3.3979 -2.7249 -2.7249 3.2782 3.2782 3.8446 3.8446 4.0227 4.0227 4.1387 4.1387 4.1920 4.1920 4.2849 4.2849 4.4300 4.4300 4.7487 4.7487 5.0393 5.0393 5.3209 5.3209 5.3610 5.3610 5.7890 5.7890 6.2201 6.2201 6.3279 6.3279 7.3365 7.3365 7.6168 7.6168 10.4248 10.4248 11.0587 11.0587 11.8158 11.8158 12.5028 12.5028 k = 0.4167 0.2406 0.3048 ( 4262 PWs) bands (ev): -18.7353 -18.7353 -5.7464 -5.7464 -4.4812 -4.4812 -4.0036 -4.0036 -3.4204 -3.4204 -2.7191 -2.7191 3.2768 3.2768 3.8514 3.8514 4.0427 4.0427 4.1506 4.1506 4.1897 4.1897 4.2847 4.2847 4.4392 4.4392 4.7463 4.7463 5.0441 5.0441 5.3080 5.3080 5.3697 5.3697 5.7707 5.7707 6.1824 6.1824 6.2845 6.2845 7.3353 7.3353 7.6192 7.6192 10.4147 10.4147 11.0806 11.0806 11.8121 11.8121 12.5526 12.5526 k = 0.4286 0.2474 0.3048 ( 4262 PWs) bands (ev): -18.7345 -18.7345 -5.7506 -5.7506 -4.4727 -4.4727 -3.9983 -3.9983 -3.4413 -3.4413 -2.7140 -2.7140 3.2756 3.2756 3.8568 3.8568 4.0616 4.0616 4.1613 4.1613 4.1881 4.1881 4.2833 4.2833 4.4489 4.4489 4.7417 4.7417 5.0518 5.0518 5.2951 5.2951 5.3801 5.3801 5.7531 5.7531 6.1477 6.1477 6.2459 6.2459 7.3342 7.3342 7.6212 7.6212 10.4060 10.4060 11.0986 11.0986 11.8091 11.8091 12.6005 12.6005 k = 0.4405 0.2543 0.3048 ( 4262 PWs) bands (ev): -18.7339 -18.7339 -5.7542 -5.7542 -4.4653 -4.4653 -3.9929 -3.9929 -3.4602 -3.4602 -2.7096 -2.7096 3.2746 3.2746 3.8610 3.8610 4.0788 4.0788 4.1698 4.1698 4.1879 4.1879 4.2807 4.2807 4.4585 4.4585 4.7356 4.7356 5.0614 5.0614 5.2831 5.2831 5.3912 5.3912 5.7360 5.7360 6.1165 6.1165 6.2128 6.2128 7.3334 7.3334 7.6229 7.6229 10.3985 10.3985 11.1130 11.1130 11.8068 11.8068 12.6452 12.6452 k = 0.4524 0.2612 0.3048 ( 4262 PWs) bands (ev): -18.7333 -18.7333 -5.7572 -5.7572 -4.4590 -4.4590 -3.9878 -3.9878 -3.4766 -3.4766 -2.7059 -2.7059 3.2739 3.2739 3.8642 3.8642 4.0941 4.0941 4.1740 4.1740 4.1913 4.1913 4.2771 4.2771 4.4675 4.4675 4.7290 4.7290 5.0719 5.0719 5.2725 5.2725 5.4024 5.4024 5.7196 5.7196 6.0898 6.0898 6.1854 6.1854 7.3326 7.3326 7.6243 7.6243 10.3923 10.3923 11.1242 11.1242 11.8051 11.8051 12.6850 12.6850 k = 0.4643 0.2681 0.3048 ( 4262 PWs) bands (ev): -18.7329 -18.7329 -5.7597 -5.7597 -4.4540 -4.4540 -3.9833 -3.9833 -3.4899 -3.4899 -2.7030 -2.7030 3.2733 3.2733 3.8665 3.8665 4.1071 4.1071 4.1742 4.1742 4.1978 4.1978 4.2728 4.2728 4.4754 4.4754 4.7226 4.7226 5.0819 5.0819 5.2636 5.2636 5.4129 5.4129 5.7047 5.7047 6.0682 6.0682 6.1641 6.1641 7.3321 7.3321 7.6254 7.6254 10.3875 10.3875 11.1325 11.1325 11.8039 11.8039 12.7184 12.7184 k = 0.4762 0.2749 0.3048 ( 4260 PWs) bands (ev): -18.7325 -18.7325 -5.7614 -5.7614 -4.4504 -4.4504 -3.9797 -3.9797 -3.4999 -3.4999 -2.7009 -2.7009 3.2729 3.2729 3.8681 3.8681 4.1172 4.1172 4.1728 4.1728 4.2046 4.2046 4.2684 4.2684 4.4815 4.4815 4.7173 4.7173 5.0904 5.0904 5.2569 5.2569 5.4217 5.4217 5.6923 5.6923 6.0522 6.0522 6.1489 6.1489 7.3317 7.3317 7.6262 7.6262 10.3841 10.3841 11.1382 11.1382 11.8030 11.8030 12.7436 12.7436 k = 0.4881 0.2818 0.3048 ( 4268 PWs) bands (ev): -18.7323 -18.7323 -5.7625 -5.7625 -4.4482 -4.4482 -3.9775 -3.9775 -3.5060 -3.5060 -2.6996 -2.6996 3.2726 3.2726 3.8689 3.8689 4.1237 4.1237 4.1714 4.1714 4.2097 4.2097 4.2648 4.2648 4.4854 4.4854 4.7138 4.7138 5.0960 5.0960 5.2527 5.2527 5.4276 5.4276 5.6840 5.6840 6.0425 6.0425 6.1397 6.1397 7.3315 7.3315 7.6266 7.6266 10.3820 10.3820 11.1416 11.1416 11.8026 11.8026 12.7594 12.7594 k = 0.5000 0.2887 0.3048 ( 4272 PWs) bands (ev): -18.7323 -18.7323 -5.7628 -5.7628 -4.4474 -4.4474 -3.9767 -3.9767 -3.5081 -3.5081 -2.6992 -2.6992 3.2726 3.2726 3.8692 3.8692 4.1261 4.1261 4.1708 4.1708 4.2117 4.2117 4.2633 4.2633 4.4868 4.4868 4.7126 4.7126 5.0980 5.0980 5.2513 5.2513 5.4297 5.4297 5.6811 5.6811 6.0392 6.0392 6.1367 6.1367 7.3314 7.3314 7.6268 7.6268 10.3813 10.3813 11.1426 11.1426 11.8024 11.8024 12.7647 12.7647 k = 0.5000 0.2887 0.3048 ( 4272 PWs) bands (ev): -18.7323 -18.7323 -5.7628 -5.7628 -4.4474 -4.4474 -3.9767 -3.9767 -3.5081 -3.5081 -2.6992 -2.6992 3.2726 3.2726 3.8692 3.8692 4.1261 4.1261 4.1708 4.1708 4.2117 4.2117 4.2633 4.2633 4.4868 4.4868 4.7126 4.7126 5.0980 5.0980 5.2513 5.2513 5.4297 5.4297 5.6811 5.6811 6.0392 6.0392 6.1367 6.1367 7.3314 7.3314 7.6268 7.6268 10.3813 10.3813 11.1426 11.1426 11.8024 11.8024 12.7647 12.7647 k = 0.4931 0.3007 0.3048 ( 4264 PWs) bands (ev): -18.7323 -18.7323 -5.7627 -5.7627 -4.4479 -4.4479 -3.9775 -3.9775 -3.5065 -3.5065 -2.7000 -2.7000 3.2740 3.2740 3.8692 3.8692 4.1253 4.1253 4.1690 4.1690 4.2110 4.2110 4.2665 4.2665 4.4872 4.4872 4.7130 4.7130 5.0980 5.0980 5.2512 5.2512 5.4282 5.4282 5.6814 5.6814 6.0376 6.0376 6.1377 6.1377 7.3308 7.3308 7.6237 7.6237 10.3845 10.3845 11.1475 11.1475 11.8024 11.8024 12.7603 12.7603 k = 0.4861 0.3127 0.3048 ( 4260 PWs) bands (ev): -18.7322 -18.7322 -5.7622 -5.7622 -4.4492 -4.4492 -3.9799 -3.9799 -3.5018 -3.5018 -2.7023 -2.7023 3.2783 3.2783 3.8690 3.8690 4.1228 4.1228 4.1642 4.1642 4.2097 4.2097 4.2748 4.2748 4.4883 4.4883 4.7145 4.7145 5.0979 5.0979 5.2508 5.2508 5.4237 5.4237 5.6823 5.6823 6.0325 6.0325 6.1408 6.1408 7.3290 7.3290 7.6148 7.6148 10.3942 10.3942 11.1618 11.1618 11.8027 11.8027 12.7480 12.7480 k = 0.4792 0.3248 0.3048 ( 4264 PWs) bands (ev): -18.7321 -18.7321 -5.7614 -5.7614 -4.4514 -4.4514 -3.9836 -3.9836 -3.4942 -3.4942 -2.7061 -2.7061 3.2853 3.2853 3.8687 3.8687 4.1184 4.1184 4.1580 4.1580 4.2089 4.2089 4.2856 4.2856 4.4902 4.4902 4.7169 4.7169 5.0977 5.0977 5.2503 5.2503 5.4166 5.4166 5.6834 5.6834 6.0237 6.0237 6.1466 6.1466 7.3256 7.3256 7.6002 7.6002 10.4101 10.4101 11.1855 11.1855 11.8034 11.8034 12.7300 12.7300 k = 0.4722 0.3368 0.3048 ( 4260 PWs) bands (ev): -18.7319 -18.7319 -5.7604 -5.7604 -4.4544 -4.4544 -3.9885 -3.9885 -3.4839 -3.4839 -2.7114 -2.7114 3.2952 3.2952 3.8682 3.8682 4.1117 4.1117 4.1520 4.1520 4.2086 4.2086 4.2969 4.2969 4.4929 4.4929 4.7206 4.7206 5.0976 5.0976 5.2496 5.2496 5.4073 5.4073 5.6844 5.6844 6.0110 6.0110 6.1555 6.1555 7.3205 7.3205 7.5805 7.5805 10.4320 10.4320 11.2183 11.2183 11.8051 11.8051 12.7087 12.7087 k = 0.4653 0.3488 0.3048 ( 4262 PWs) bands (ev): -18.7318 -18.7318 -5.7591 -5.7591 -4.4583 -4.4583 -3.9942 -3.9942 -3.4713 -3.4713 -2.7181 -2.7181 3.3077 3.3077 3.8677 3.8677 4.1031 4.1031 4.1471 4.1471 4.2089 4.2089 4.3076 4.3076 4.4963 4.4963 4.7259 4.7259 5.0974 5.0974 5.2488 5.2488 5.3963 5.3963 5.6847 5.6847 5.9945 5.9945 6.1675 6.1675 7.3131 7.3131 7.5565 7.5565 10.4596 10.4596 11.2597 11.2597 11.8084 11.8084 12.6863 12.6863 k = 0.4583 0.3608 0.3048 ( 4266 PWs) bands (ev): -18.7315 -18.7315 -5.7576 -5.7576 -4.4630 -4.4630 -4.0003 -4.0003 -3.4567 -3.4567 -2.7263 -2.7263 3.3228 3.3228 3.8671 3.8671 4.0932 4.0932 4.1433 4.1433 4.2093 4.2093 4.3169 4.3169 4.5003 4.5003 4.7329 4.7329 5.0974 5.0974 5.2477 5.2477 5.3843 5.3843 5.6840 5.6840 5.9746 5.9746 6.1826 6.1826 7.3030 7.3030 7.5289 7.5289 10.4926 10.4926 11.3093 11.3093 11.8138 11.8138 12.6641 12.6641 k = 0.4514 0.3729 0.3048 ( 4262 PWs) bands (ev): -18.7313 -18.7313 -5.7558 -5.7558 -4.4684 -4.4684 -4.0067 -4.0067 -3.4404 -3.4404 -2.7358 -2.7358 3.3404 3.3404 3.8664 3.8664 4.0828 4.0828 4.1403 4.1403 4.2099 4.2099 4.3243 4.3243 4.5045 4.5045 4.7421 4.7421 5.0975 5.0975 5.2466 5.2466 5.3716 5.3716 5.6819 5.6819 5.9520 5.9520 6.2006 6.2006 7.2898 7.2898 7.4988 7.4988 10.5307 10.5307 11.3662 11.3662 11.8219 11.8219 12.6430 12.6430 k = 0.4444 0.3849 0.3048 ( 4264 PWs) bands (ev): -18.7310 -18.7310 -5.7539 -5.7539 -4.4744 -4.4744 -4.0130 -4.0130 -3.4228 -3.4228 -2.7466 -2.7466 3.3603 3.3603 3.8656 3.8656 4.0721 4.0721 4.1379 4.1379 4.2104 4.2104 4.3297 4.3297 4.5083 4.5083 4.7539 4.7539 5.0977 5.0977 5.2455 5.2455 5.3587 5.3587 5.6780 5.6780 5.9272 5.9272 6.2211 6.2211 7.2731 7.2731 7.4668 7.4668 10.5735 10.5735 11.4299 11.4299 11.8331 11.8331 12.6234 12.6234 k = 0.4375 0.3969 0.3048 ( 4256 PWs) bands (ev): -18.7307 -18.7307 -5.7519 -5.7519 -4.4810 -4.4810 -4.0190 -4.0190 -3.4041 -3.4041 -2.7586 -2.7586 3.3824 3.3824 3.8648 3.8648 4.0617 4.0617 4.1361 4.1361 4.2108 4.2108 4.3331 4.3331 4.5113 4.5113 4.7685 4.7685 5.0982 5.0982 5.2444 5.2444 5.3460 5.3460 5.6722 5.6722 5.9009 5.9009 6.2438 6.2438 7.2526 7.2526 7.4340 7.4340 10.6209 10.6209 11.4993 11.4993 11.8474 11.8474 12.6053 12.6053 k = 0.4306 0.4090 0.3048 ( 4264 PWs) bands (ev): -18.7304 -18.7304 -5.7498 -5.7498 -4.4881 -4.4881 -4.0245 -4.0245 -3.3848 -3.3848 -2.7716 -2.7716 3.4066 3.4066 3.8638 3.8638 4.0515 4.0515 4.1347 4.1347 4.2109 4.2109 4.3348 4.3348 4.5127 4.5127 4.7860 4.7860 5.0989 5.0989 5.2434 5.2434 5.3338 5.3338 5.6643 5.6643 5.8734 5.8734 6.2684 6.2684 7.2284 7.2284 7.4009 7.4009 10.6727 10.6727 11.5736 11.5736 11.8647 11.8647 12.5887 12.5887 k = 0.4236 0.4210 0.3048 ( 4264 PWs) bands (ev): -18.7300 -18.7300 -5.7476 -5.7476 -4.4955 -4.4955 -4.0294 -4.0294 -3.3649 -3.3649 -2.7856 -2.7856 3.4325 3.4325 3.8628 3.8628 4.0415 4.0415 4.1339 4.1339 4.2109 4.2109 4.3351 4.3351 4.5123 4.5123 4.8061 4.8061 5.0999 5.0999 5.2426 5.2426 5.3225 5.3225 5.6543 5.6543 5.8454 5.8454 6.2947 6.2947 7.2005 7.2005 7.3681 7.3681 10.7287 10.7287 11.6516 11.6516 11.8843 11.8843 12.5736 12.5736 k = 0.4167 0.4330 0.3048 ( 4260 PWs) bands (ev): -18.7296 -18.7296 -5.7455 -5.7455 -4.5031 -4.5031 -4.0337 -4.0337 -3.3448 -3.3448 -2.8004 -2.8004 3.4601 3.4601 3.8617 3.8617 4.0318 4.0318 4.1337 4.1337 4.2105 4.2105 4.3344 4.3344 4.5098 4.5098 4.8286 4.8286 5.1012 5.1012 5.2420 5.2420 5.3125 5.3125 5.6420 5.6420 5.8171 5.8171 6.3224 6.3224 7.1694 7.1694 7.3361 7.3361 10.7888 10.7888 11.7323 11.7323 11.9053 11.9053 12.5598 12.5598 k = 0.4097 0.4450 0.3048 ( 4268 PWs) bands (ev): -18.7293 -18.7293 -5.7434 -5.7434 -4.5108 -4.5108 -4.0372 -4.0372 -3.3248 -3.3248 -2.8159 -2.8159 3.4890 3.4890 3.8604 3.8604 4.0220 4.0220 4.1342 4.1342 4.2099 4.2099 4.3329 4.3329 4.5053 4.5053 4.8529 4.8529 5.1027 5.1027 5.2412 5.2412 5.3043 5.3043 5.6277 5.6277 5.7889 5.7889 6.3512 6.3512 7.1356 7.1356 7.3052 7.3052 10.8528 10.8528 11.8142 11.8142 11.9261 11.9261 12.5474 12.5474 k = 0.4028 0.4571 0.3048 ( 4272 PWs) bands (ev): -18.7289 -18.7289 -5.7414 -5.7414 -4.5183 -4.5183 -4.0401 -4.0401 -3.3049 -3.3049 -2.8318 -2.8318 3.5189 3.5189 3.8589 3.8589 4.0122 4.0122 4.1355 4.1355 4.2090 4.2090 4.3310 4.3310 4.4989 4.4989 4.8785 4.8785 5.1046 5.1046 5.2401 5.2401 5.2987 5.2987 5.6114 5.6114 5.7610 5.7610 6.3809 6.3809 7.0994 7.0994 7.2756 7.2756 10.9204 10.9204 11.8941 11.8941 11.9467 11.9467 12.5366 12.5366 k = 0.3958 0.4691 0.3048 ( 4264 PWs) bands (ev): -18.7286 -18.7286 -5.7395 -5.7395 -4.5255 -4.5255 -4.0422 -4.0422 -3.2855 -3.2855 -2.8479 -2.8479 3.5496 3.5496 3.8572 3.8572 4.0020 4.0020 4.1376 4.1376 4.2081 4.2081 4.3289 4.3289 4.4909 4.4909 4.9045 4.9045 5.1068 5.1068 5.2380 5.2380 5.2966 5.2966 5.5934 5.5934 5.7336 5.7336 6.4113 6.4113 7.0613 7.0613 7.2480 7.2480 10.9915 10.9915 11.9451 11.9451 11.9901 11.9901 12.5280 12.5280 k = 0.3889 0.4811 0.3048 ( 4264 PWs) bands (ev): -18.7282 -18.7282 -5.7378 -5.7378 -4.5323 -4.5323 -4.0438 -4.0438 -3.2669 -3.2669 -2.8640 -2.8640 3.5807 3.5807 3.8554 3.8554 3.9914 3.9914 4.1404 4.1404 4.2071 4.2071 4.3267 4.3267 4.4815 4.4815 4.9302 4.9302 5.1095 5.1095 5.2344 5.2344 5.2986 5.2986 5.5741 5.5741 5.7067 5.7067 6.4423 6.4423 7.0219 7.0219 7.2225 7.2225 11.0657 11.0657 11.9538 11.9538 12.0660 12.0660 12.5218 12.5218 k = 0.3819 0.4932 0.3048 ( 4256 PWs) bands (ev): -18.7279 -18.7279 -5.7363 -5.7363 -4.5385 -4.5385 -4.0448 -4.0448 -3.2492 -3.2492 -2.8798 -2.8798 3.6118 3.6118 3.8536 3.8536 3.9803 3.9803 4.1440 4.1440 4.2062 4.2062 4.3247 4.3247 4.4712 4.4712 4.9549 4.9549 5.1129 5.1129 5.2295 5.2295 5.3047 5.3047 5.5539 5.5539 5.6806 5.6806 6.4736 6.4736 6.9813 6.9813 7.1997 7.1997 11.1426 11.1426 11.9488 11.9488 12.1423 12.1423 12.5184 12.5184 k = 0.3750 0.5052 0.3048 ( 4252 PWs) bands (ev): -18.7276 -18.7276 -5.7350 -5.7350 -4.5440 -4.5440 -4.0454 -4.0454 -3.2329 -3.2329 -2.8948 -2.8948 3.6422 3.6422 3.8517 3.8517 3.9684 3.9684 4.1480 4.1480 4.2055 4.2055 4.3229 4.3229 4.4602 4.4602 4.9775 4.9775 5.1174 5.1174 5.2235 5.2235 5.3145 5.3145 5.5332 5.5332 5.6554 5.6554 6.5050 6.5050 6.9403 6.9403 7.1798 7.1798 11.2215 11.2215 11.9322 11.9322 12.2148 12.2148 12.5171 12.5171 k = 0.3681 0.5172 0.3048 ( 4260 PWs) bands (ev): -18.7273 -18.7273 -5.7340 -5.7340 -4.5488 -4.5488 -4.0456 -4.0456 -3.2182 -3.2182 -2.9087 -2.9087 3.6713 3.6713 3.8502 3.8502 3.9559 3.9559 4.1521 4.1521 4.2053 4.2053 4.3214 4.3214 4.4491 4.4491 4.9972 4.9972 5.1234 5.1234 5.2169 5.2169 5.3271 5.3271 5.5125 5.5125 5.6314 5.6314 6.5364 6.5364 6.8993 6.8993 7.1631 7.1631 11.3017 11.3017 11.9050 11.9050 12.2815 12.2815 12.5170 12.5170 k = 0.3611 0.5292 0.3048 ( 4256 PWs) bands (ev): -18.7271 -18.7271 -5.7331 -5.7331 -4.5527 -4.5527 -4.0456 -4.0456 -3.2055 -3.2055 -2.9210 -2.9210 3.6981 3.6981 3.8496 3.8496 3.9429 3.9429 4.1560 4.1560 4.2056 4.2056 4.3205 4.3205 4.4385 4.4385 5.0133 5.0133 5.1311 5.1311 5.2099 5.2099 5.3419 5.3419 5.4924 5.4924 5.6093 5.6093 6.5674 6.5674 6.8591 6.8591 7.1496 7.1496 11.3819 11.3819 11.8687 11.8687 12.3412 12.3412 12.5167 12.5167 k = 0.3542 0.5413 0.3048 ( 4260 PWs) bands (ev): -18.7269 -18.7269 -5.7325 -5.7325 -4.5558 -4.5558 -4.0453 -4.0453 -3.1954 -3.1954 -2.9311 -2.9311 3.7212 3.7212 3.8505 3.8505 3.9296 3.9296 4.1593 4.1593 4.2064 4.2064 4.3201 4.3201 4.4288 4.4288 5.0253 5.0253 5.1405 5.1405 5.2027 5.2027 5.3578 5.3578 5.4734 5.4734 5.5899 5.5899 6.5975 6.5975 6.8207 6.8207 7.1393 7.1393 11.4608 11.4608 11.8251 11.8251 12.3924 12.3924 12.5149 12.5149 k = 0.3472 0.5533 0.3048 ( 4254 PWs) bands (ev): -18.7267 -18.7267 -5.7321 -5.7321 -4.5579 -4.5579 -4.0451 -4.0451 -3.1881 -3.1881 -2.9385 -2.9385 3.7387 3.7387 3.8541 3.8541 3.9166 3.9166 4.1616 4.1616 4.2074 4.2074 4.3201 4.3201 4.4209 4.4209 5.0335 5.0335 5.1506 5.1506 5.1954 5.1954 5.3734 5.3734 5.4563 5.4563 5.5744 5.5744 6.6256 6.6256 6.7858 6.7858 7.1322 7.1322 11.5363 11.5363 11.7762 11.7762 12.4343 12.4343 12.5102 12.5102 k = 0.3403 0.5653 0.3048 ( 4262 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5592 -4.5592 -4.0448 -4.0448 -3.1837 -3.1837 -2.9430 -2.9430 3.7492 3.7492 3.8601 3.8601 3.9050 3.9050 4.1629 4.1629 4.2084 4.2084 4.3204 4.3204 4.4156 4.4156 5.0382 5.0382 5.1601 5.1601 5.1883 5.1883 5.3865 5.3865 5.4424 5.4424 5.5643 5.5643 6.6488 6.6488 6.7582 6.7582 7.1280 7.1280 11.6057 11.6057 11.7238 11.7238 12.4659 12.4659 12.5019 12.5019 k = 0.3333 0.5774 0.3048 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5596 -4.5596 -4.0447 -4.0447 -3.1823 -3.1823 -2.9445 -2.9445 3.7525 3.7525 3.8641 3.8641 3.8994 3.8994 4.1633 4.1633 4.2087 4.2087 4.3205 4.3205 4.4137 4.4137 5.0396 5.0396 5.1650 5.1650 5.1844 5.1844 5.3924 5.3924 5.4362 5.4362 5.5609 5.5609 6.6588 6.6588 6.7465 6.7465 7.1266 7.1266 11.6578 11.6578 11.6777 11.6777 12.4840 12.4840 12.4917 12.4917 k = 0.3333 0.5774 0.3048 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5596 -4.5596 -4.0447 -4.0447 -3.1823 -3.1823 -2.9445 -2.9445 3.7525 3.7525 3.8641 3.8641 3.8994 3.8994 4.1633 4.1633 4.2087 4.2087 4.3205 4.3205 4.4137 4.4137 5.0396 5.0396 5.1650 5.1650 5.1844 5.1844 5.3924 5.3924 5.4362 5.4362 5.5609 5.5609 6.6588 6.6588 6.7465 6.7465 7.1266 7.1266 11.6578 11.6578 11.6777 11.6777 12.4840 12.4840 12.4917 12.4917 k = 0.3264 0.5653 0.3048 ( 4266 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5592 -4.5592 -4.0449 -4.0449 -3.1836 -3.1836 -2.9431 -2.9431 3.7498 3.7498 3.8591 3.8591 3.9054 3.9054 4.1630 4.1630 4.2083 4.2083 4.3203 4.3203 4.4157 4.4157 5.0382 5.0382 5.1597 5.1597 5.1886 5.1886 5.3867 5.3867 5.4426 5.4426 5.5641 5.5641 6.6501 6.6501 6.7571 6.7571 7.1279 7.1279 11.6103 11.6103 11.7187 11.7187 12.4675 12.4675 12.5001 12.5001 k = 0.3194 0.5533 0.3048 ( 4266 PWs) bands (ev): -18.7267 -18.7267 -5.7320 -5.7320 -4.5581 -4.5581 -4.0453 -4.0453 -3.1868 -3.1868 -2.9394 -2.9394 3.7427 3.7427 3.8480 3.8480 3.9180 3.9180 4.1619 4.1619 4.2071 4.2071 4.3194 4.3194 4.4216 4.4216 5.0339 5.0339 5.1484 5.1484 5.1966 5.1966 5.3746 5.3746 5.4573 5.4573 5.5730 5.5730 6.6329 6.6329 6.7802 6.7802 7.1315 7.1315 11.5537 11.5537 11.7550 11.7550 12.4406 12.4406 12.5026 12.5026 k = 0.3125 0.5413 0.3048 ( 4266 PWs) bands (ev): -18.7269 -18.7269 -5.7321 -5.7321 -4.5565 -4.5565 -4.0460 -4.0460 -3.1913 -3.1913 -2.9339 -2.9339 3.7324 3.7324 3.8352 3.8352 3.9317 3.9317 4.1604 4.1604 4.2053 4.2053 4.3179 4.3179 4.4306 4.4306 5.0267 5.0267 5.1343 5.1343 5.2055 5.2055 5.3614 5.3614 5.4767 5.4767 5.5856 5.5856 6.6162 6.6162 6.8075 6.8075 7.1372 7.1372 11.4968 11.4968 11.7779 11.7779 12.4053 12.4053 12.4969 12.4969 k = 0.3056 0.5292 0.3048 ( 4264 PWs) bands (ev): -18.7272 -18.7272 -5.7322 -5.7322 -4.5544 -4.5544 -4.0472 -4.0472 -3.1964 -3.1964 -2.9271 -2.9271 3.7198 3.7198 3.8219 3.8219 3.9442 3.9442 4.1584 4.1584 4.2032 4.2032 4.3162 4.3162 4.4419 4.4419 5.0167 5.0167 5.1184 5.1184 5.2147 5.2147 5.3496 5.3496 5.4996 5.4996 5.6006 5.6006 6.6031 6.6031 6.8362 6.8362 7.1447 7.1447 11.4406 11.4406 11.7885 11.7885 12.3612 12.3612 12.4834 12.4834 k = 0.2986 0.5172 0.3048 ( 4264 PWs) bands (ev): -18.7275 -18.7275 -5.7321 -5.7321 -4.5520 -4.5520 -4.0487 -4.0487 -3.2014 -3.2014 -2.9196 -2.9196 3.7056 3.7056 3.8082 3.8082 3.9547 3.9547 4.1562 4.1562 4.2011 4.2011 4.3146 4.3146 4.4543 4.4543 5.0042 5.0042 5.1015 5.1015 5.2235 5.2235 5.3413 5.3413 5.5245 5.5245 5.6174 5.6174 6.5947 6.5947 6.8655 6.8655 7.1537 7.1537 11.3854 11.3854 11.7890 11.7890 12.3085 12.3085 12.4632 12.4632 k = 0.2917 0.5052 0.3048 ( 4268 PWs) bands (ev): -18.7279 -18.7279 -5.7319 -5.7319 -4.5495 -4.5495 -4.0506 -4.0506 -3.2060 -3.2060 -2.9118 -2.9118 3.6903 3.6903 3.7943 3.7943 3.9628 3.9628 4.1538 4.1538 4.1990 4.1990 4.3132 4.3132 4.4668 4.4668 4.9895 4.9895 5.0841 5.0841 5.2305 5.2305 5.3386 5.3386 5.5494 5.5494 5.6369 5.6369 6.5917 6.5917 6.8950 6.8950 7.1641 7.1641 11.3316 11.3316 11.7822 11.7822 12.2477 12.2477 12.4375 12.4375 k = 0.2847 0.4932 0.3048 ( 4264 PWs) bands (ev): -18.7284 -18.7284 -5.7314 -5.7314 -4.5471 -4.5471 -4.0527 -4.0527 -3.2096 -3.2096 -2.9041 -2.9041 3.6742 3.6742 3.7799 3.7799 3.9684 3.9684 4.1515 4.1515 4.1971 4.1971 4.3121 4.3121 4.4786 4.4786 4.9730 4.9730 5.0669 5.0669 5.2347 5.2347 5.3430 5.3430 5.5713 5.5713 5.6613 5.6613 6.5940 6.5940 6.9245 6.9245 7.1756 7.1756 11.2795 11.2795 11.7703 11.7703 12.1802 12.1802 12.4073 12.4073 k = 0.2778 0.4811 0.3048 ( 4268 PWs) bands (ev): -18.7290 -18.7290 -5.7307 -5.7307 -4.5449 -4.5449 -4.0552 -4.0552 -3.2120 -3.2120 -2.8965 -2.8965 3.6578 3.6578 3.7652 3.7652 3.9717 3.9717 4.1493 4.1493 4.1952 4.1952 4.3113 4.3113 4.4886 4.4886 4.9552 4.9552 5.0507 5.0507 5.2357 5.2357 5.3548 5.3548 5.5878 5.5878 5.6923 5.6923 6.6015 6.6015 6.9538 6.9538 7.1880 7.1880 11.2292 11.2292 11.7554 11.7554 12.1071 12.1071 12.3739 12.3739 k = 0.2708 0.4691 0.3048 ( 4276 PWs) bands (ev): -18.7297 -18.7297 -5.7297 -5.7297 -4.5431 -4.5431 -4.0577 -4.0577 -3.2129 -3.2129 -2.8894 -2.8894 3.6412 3.6412 3.7499 3.7499 3.9727 3.9727 4.1470 4.1470 4.1936 4.1936 4.3109 4.3109 4.4961 4.4961 4.9364 4.9364 5.0362 5.0362 5.2347 5.2347 5.3728 5.3728 5.5987 5.5987 5.7302 5.7302 6.6138 6.6138 6.9830 6.9830 7.2010 7.2010 11.1811 11.1811 11.7389 11.7389 12.0297 12.0297 12.3382 12.3382 k = 0.2639 0.4571 0.3048 ( 4272 PWs) bands (ev): -18.7305 -18.7305 -5.7284 -5.7284 -4.5418 -4.5418 -4.0602 -4.0602 -3.2123 -3.2123 -2.8829 -2.8829 3.6247 3.6247 3.7343 3.7343 3.9718 3.9718 4.1447 4.1447 4.1921 4.1921 4.3109 4.3109 4.5004 4.5004 4.9171 4.9171 5.0240 5.0240 5.2332 5.2332 5.3954 5.3954 5.6054 5.6054 5.7737 5.7737 6.6305 6.6305 7.0118 7.0118 7.2145 7.2145 11.1353 11.1353 11.7218 11.7218 11.9495 11.9495 12.3012 12.3012 k = 0.2569 0.4450 0.3048 ( 4274 PWs) bands (ev): -18.7313 -18.7313 -5.7267 -5.7267 -4.5413 -4.5413 -4.0626 -4.0626 -3.2102 -3.2102 -2.8770 -2.8770 3.6085 3.6085 3.7182 3.7182 3.9692 3.9692 4.1418 4.1418 4.1910 4.1910 4.3111 4.3111 4.5011 4.5011 4.8975 4.8975 5.0149 5.0149 5.2318 5.2318 5.4210 5.4210 5.6096 5.6096 5.8216 5.8216 6.6509 6.6509 7.0402 7.0402 7.2284 7.2284 11.0920 11.0920 11.7047 11.7047 11.8675 11.8675 12.2635 12.2635 k = 0.2500 0.4330 0.3048 ( 4274 PWs) bands (ev): -18.7323 -18.7323 -5.7246 -5.7246 -4.5415 -4.5415 -4.0647 -4.0647 -3.2064 -3.2064 -2.8719 -2.8719 3.5927 3.5927 3.7019 3.7019 3.9652 3.9652 4.1380 4.1380 4.1906 4.1906 4.3114 4.3114 4.4981 4.4981 4.8778 4.8778 5.0091 5.0091 5.2312 5.2312 5.4482 5.4482 5.6127 5.6127 5.8731 5.8731 6.6745 6.6745 7.0679 7.0679 7.2426 7.2426 11.0512 11.0512 11.6875 11.6875 11.7854 11.7854 12.2259 12.2259 k = 0.2431 0.4210 0.3048 ( 4284 PWs) bands (ev): -18.7333 -18.7333 -5.7222 -5.7222 -4.5427 -4.5427 -4.0663 -4.0663 -3.2012 -3.2012 -2.8675 -2.8675 3.5772 3.5772 3.6853 3.6853 3.9598 3.9598 4.1329 4.1329 4.1911 4.1911 4.3116 4.3116 4.4916 4.4916 4.8581 4.8581 5.0069 5.0069 5.2315 5.2315 5.4752 5.4752 5.6170 5.6170 5.9278 5.9278 6.7005 6.7005 7.0950 7.0950 7.2570 7.2570 11.0131 11.0131 11.6657 11.6657 11.7086 11.7086 12.1889 12.1889 k = 0.2361 0.4090 0.3048 ( 4284 PWs) bands (ev): -18.7345 -18.7345 -5.7194 -5.7194 -4.5448 -4.5448 -4.0675 -4.0675 -3.1945 -3.1945 -2.8638 -2.8638 3.5624 3.5624 3.6686 3.6686 3.9533 3.9533 4.1263 4.1263 4.1927 4.1927 4.3117 4.3117 4.4821 4.4821 4.8388 4.8388 5.0080 5.0080 5.2328 5.2328 5.4992 5.4992 5.6253 5.6253 5.9852 5.9852 6.7284 6.7284 7.1209 7.1209 7.2716 7.2716 10.9778 10.9778 11.6080 11.6080 11.6696 11.6696 12.1528 12.1528 k = 0.2292 0.3969 0.3048 ( 4284 PWs) bands (ev): -18.7357 -18.7357 -5.7163 -5.7163 -4.5477 -4.5477 -4.0680 -4.0680 -3.1867 -3.1867 -2.8608 -2.8608 3.5480 3.5480 3.6521 3.6521 3.9458 3.9458 4.1181 4.1181 4.1954 4.1954 4.3113 4.3113 4.4704 4.4704 4.8200 4.8200 5.0121 5.0121 5.2349 5.2349 5.5165 5.5165 5.6415 5.6415 6.0451 6.0451 6.7576 6.7576 7.1456 7.1456 7.2865 7.2865 10.9452 10.9452 11.5290 11.5290 11.6542 11.6542 12.1181 12.1181 k = 0.2222 0.3849 0.3048 ( 4284 PWs) bands (ev): -18.7369 -18.7369 -5.7129 -5.7129 -4.5515 -4.5515 -4.0678 -4.0678 -3.1777 -3.1777 -2.8584 -2.8584 3.5343 3.5343 3.6357 3.6357 3.9374 3.9374 4.1082 4.1082 4.1991 4.1991 4.3102 4.3102 4.4575 4.4575 4.8019 4.8019 5.0186 5.0186 5.2378 5.2378 5.5254 5.5254 5.6676 5.6676 6.1073 6.1073 6.7877 6.7877 7.1687 7.1687 7.3016 7.3016 10.9155 10.9155 11.4493 11.4493 11.6425 11.6425 12.0850 12.0850 k = 0.2153 0.3729 0.3048 ( 4282 PWs) bands (ev): -18.7383 -18.7383 -5.7092 -5.7092 -4.5560 -4.5560 -4.0670 -4.0670 -3.1680 -3.1680 -2.8565 -2.8565 3.5211 3.5211 3.6197 3.6197 3.9282 3.9282 4.0968 4.0968 4.2035 4.2035 4.3080 4.3080 4.4446 4.4446 4.7846 4.7846 5.0269 5.0269 5.2414 5.2414 5.5272 5.5272 5.7023 5.7023 6.1714 6.1714 6.8182 6.8182 7.1899 7.1899 7.3169 7.3169 10.8883 10.8883 11.3714 11.3714 11.6324 11.6324 12.0535 12.0535 k = 0.2083 0.3608 0.3048 ( 4286 PWs) bands (ev): -18.7397 -18.7397 -5.7053 -5.7053 -4.5610 -4.5610 -4.0655 -4.0655 -3.1578 -3.1578 -2.8550 -2.8550 3.5085 3.5085 3.6042 3.6042 3.9182 3.9182 4.0841 4.0841 4.2083 4.2083 4.3045 4.3045 4.4327 4.4327 4.7682 4.7682 5.0364 5.0364 5.2455 5.2455 5.5246 5.5246 5.7432 5.7432 6.2374 6.2374 6.8488 6.8488 7.2090 7.2090 7.3325 7.3325 10.8635 10.8635 11.2964 11.2964 11.6232 11.6232 12.0239 12.0239 k = 0.2014 0.3488 0.3048 ( 4282 PWs) bands (ev): -18.7412 -18.7412 -5.7012 -5.7012 -4.5664 -4.5664 -4.0634 -4.0634 -3.1474 -3.1474 -2.8536 -2.8536 3.4964 3.4964 3.5894 3.5894 3.9073 3.9073 4.0702 4.0702 4.2130 4.2130 4.2996 4.2996 4.4229 4.4229 4.7529 4.7529 5.0467 5.0467 5.2499 5.2499 5.5193 5.5193 5.7886 5.7886 6.3048 6.3048 6.8790 6.8790 7.2258 7.2258 7.3483 7.3483 10.8405 10.8405 11.2254 11.2254 11.6143 11.6143 11.9960 11.9960 k = 0.1944 0.3368 0.3048 ( 4278 PWs) bands (ev): -18.7428 -18.7428 -5.6971 -5.6971 -4.5719 -4.5719 -4.0607 -4.0607 -3.1371 -3.1371 -2.8522 -2.8522 3.4847 3.4847 3.5753 3.5753 3.8957 3.8957 4.0553 4.0553 4.2166 4.2166 4.2940 4.2940 4.4157 4.4157 4.7388 4.7388 5.0574 5.0574 5.2545 5.2545 5.5126 5.5126 5.8375 5.8375 6.3735 6.3735 6.9086 6.9086 7.2405 7.2405 7.3639 7.3639 10.8185 10.8185 11.1597 11.1597 11.6051 11.6051 11.9698 11.9698 k = 0.1875 0.3248 0.3048 ( 4278 PWs) bands (ev): -18.7444 -18.7444 -5.6930 -5.6930 -4.5773 -4.5773 -4.0575 -4.0575 -3.1274 -3.1274 -2.8504 -2.8504 3.4736 3.4736 3.5620 3.5620 3.8834 3.8834 4.0396 4.0396 4.2178 4.2178 4.2892 4.2892 4.4111 4.4111 4.7260 4.7260 5.0680 5.0680 5.2592 5.2592 5.5048 5.5048 5.8895 5.8895 6.4432 6.4432 6.9374 6.9374 7.2530 7.2530 7.3792 7.3792 10.7960 10.7960 11.1011 11.1011 11.5944 11.5944 11.9454 11.9454 k = 0.1806 0.3127 0.3048 ( 4274 PWs) bands (ev): -18.7460 -18.7460 -5.6890 -5.6890 -4.5825 -4.5825 -4.0540 -4.0540 -3.1186 -3.1186 -2.8481 -2.8481 3.4629 3.4629 3.5496 3.5496 3.8702 3.8702 4.0235 4.0235 4.2149 4.2149 4.2874 4.2874 4.4089 4.4089 4.7144 4.7144 5.0783 5.0783 5.2639 5.2639 5.4966 5.4966 5.9443 5.9443 6.5136 6.5136 6.9651 6.9651 7.2635 7.2635 7.3936 7.3936 10.7712 10.7712 11.0518 11.0518 11.5812 11.5812 11.9227 11.9227 k = 0.1736 0.3007 0.3048 ( 4258 PWs) bands (ev): -18.7477 -18.7477 -5.6851 -5.6851 -4.5871 -4.5871 -4.0502 -4.0502 -3.1112 -3.1112 -2.8447 -2.8447 3.4526 3.4526 3.5382 3.5382 3.8562 3.8562 4.0071 4.0071 4.2075 4.2075 4.2895 4.2895 4.4087 4.4087 4.7042 4.7042 5.0880 5.0880 5.2685 5.2685 5.4880 5.4880 6.0016 6.0016 6.5844 6.5844 6.9917 6.9917 7.2724 7.2724 7.4070 7.4070 10.7419 10.7419 11.0142 11.0142 11.5638 11.5638 11.9019 11.9019 k = 0.1667 0.2887 0.3048 ( 4262 PWs) bands (ev): -18.7494 -18.7494 -5.6815 -5.6815 -4.5911 -4.5911 -4.0461 -4.0461 -3.1056 -3.1056 -2.8402 -2.8402 3.4427 3.4427 3.5278 3.5278 3.8413 3.8413 3.9906 3.9906 4.1965 4.1965 4.2950 4.2950 4.4099 4.4099 4.6953 4.6953 5.0969 5.0969 5.2728 5.2728 5.4793 5.4793 6.0615 6.0615 6.6553 6.6553 7.0170 7.0170 7.2797 7.2797 7.4190 7.4190 10.7072 10.7072 10.9895 10.9895 11.5409 11.5409 11.8834 11.8834 k = 0.1597 0.2766 0.3048 ( 4258 PWs) bands (ev): -18.7511 -18.7511 -5.6782 -5.6782 -4.5941 -4.5941 -4.0420 -4.0420 -3.1019 -3.1019 -2.8342 -2.8342 3.4334 3.4334 3.5183 3.5183 3.8256 3.8256 3.9744 3.9744 4.1837 4.1837 4.3027 4.3027 4.4121 4.4121 4.6878 4.6878 5.1048 5.1048 5.2770 5.2770 5.4705 5.4705 6.1237 6.1237 6.7259 6.7259 7.0409 7.0409 7.2858 7.2858 7.4293 7.4293 10.6678 10.6678 10.9774 10.9774 11.5107 11.5107 11.8675 11.8675 k = 0.1528 0.2646 0.3048 ( 4252 PWs) bands (ev): -18.7528 -18.7528 -5.6752 -5.6752 -4.5961 -4.5961 -4.0377 -4.0377 -3.1006 -3.1006 -2.8266 -2.8266 3.4245 3.4245 3.5098 3.5098 3.8092 3.8092 3.9587 3.9587 4.1700 4.1700 4.3117 4.3117 4.4151 4.4151 4.6816 4.6816 5.1117 5.1117 5.2808 5.2808 5.4618 5.4618 6.1882 6.1882 6.7959 6.7959 7.0634 7.0634 7.2907 7.2907 7.4377 7.4377 10.6255 10.6255 10.9762 10.9762 11.4725 11.4725 11.8545 11.8545 k = 0.1458 0.2526 0.3048 ( 4246 PWs) bands (ev): -18.7546 -18.7546 -5.6727 -5.6727 -4.5970 -4.5970 -4.0335 -4.0335 -3.1015 -3.1015 -2.8175 -2.8175 3.4160 3.4160 3.5021 3.5021 3.7920 3.7920 3.9436 3.9436 4.1563 4.1563 4.3215 4.3215 4.4187 4.4187 4.6768 4.6768 5.1175 5.1175 5.2843 5.2843 5.4531 5.4531 6.2550 6.2550 6.8648 6.8648 7.0846 7.0846 7.2947 7.2947 7.4442 7.4442 10.5825 10.5825 10.9839 10.9839 11.4260 11.4260 11.8444 11.8444 k = 0.1389 0.2406 0.3048 ( 4254 PWs) bands (ev): -18.7563 -18.7563 -5.6707 -5.6707 -4.5966 -4.5966 -4.0294 -4.0294 -3.1046 -3.1046 -2.8069 -2.8069 3.4081 3.4081 3.4953 3.4953 3.7744 3.7744 3.9291 3.9291 4.1427 4.1427 4.3316 4.3316 4.4226 4.4226 4.6731 4.6731 5.1220 5.1220 5.2875 5.2875 5.4446 5.4446 6.3238 6.3238 6.9321 6.9321 7.1044 7.1044 7.2979 7.2979 7.4488 7.4488 10.5406 10.5406 10.9989 10.9989 11.3714 11.3714 11.8369 11.8369 k = 0.1319 0.2285 0.3048 ( 4254 PWs) bands (ev): -18.7580 -18.7580 -5.6692 -5.6692 -4.5948 -4.5948 -4.0254 -4.0254 -3.1097 -3.1097 -2.7951 -2.7951 3.4007 3.4007 3.4892 3.4892 3.7564 3.7564 3.9155 3.9155 4.1298 4.1298 4.3417 4.3417 4.4267 4.4267 4.6707 4.6707 5.1255 5.1255 5.2905 5.2905 5.4361 5.4361 6.3946 6.3946 6.9973 6.9973 7.1232 7.1232 7.3006 7.3006 7.4515 7.4515 10.5009 10.5009 11.0202 11.0202 11.3098 11.3098 11.8314 11.8314 k = 0.1250 0.2165 0.3048 ( 4252 PWs) bands (ev): -18.7597 -18.7597 -5.6682 -5.6682 -4.5918 -4.5918 -4.0215 -4.0215 -3.1166 -3.1166 -2.7824 -2.7824 3.3937 3.3937 3.4838 3.4838 3.7384 3.7384 3.9027 3.9027 4.1175 4.1175 4.3518 4.3518 4.4308 4.4308 4.6695 4.6695 5.1280 5.1280 5.2931 5.2931 5.4278 5.4278 6.4671 6.4671 7.0594 7.0594 7.1411 7.1411 7.3030 7.3030 7.4524 7.4524 10.4643 10.4643 11.0469 11.0469 11.2422 11.2422 11.8274 11.8274 k = 0.1181 0.2045 0.3048 ( 4264 PWs) bands (ev): -18.7614 -18.7614 -5.6677 -5.6677 -4.5875 -4.5875 -4.0178 -4.0178 -3.1251 -3.1251 -2.7690 -2.7690 3.3871 3.3871 3.4791 3.4791 3.7206 3.7206 3.8908 3.8908 4.1060 4.1060 4.3615 4.3615 4.4350 4.4350 4.6693 4.6693 5.1294 5.1294 5.2954 5.2954 5.4196 5.4196 6.5411 6.5411 7.1158 7.1158 7.1602 7.1602 7.3054 7.3054 7.4517 7.4517 10.4313 10.4313 11.0784 11.0784 11.1697 11.1697 11.8244 11.8244 k = 0.1111 0.1925 0.3048 ( 4260 PWs) bands (ev): -18.7630 -18.7630 -5.6677 -5.6677 -4.5820 -4.5820 -4.0144 -4.0144 -3.1348 -3.1348 -2.7551 -2.7551 3.3808 3.3808 3.4750 3.4750 3.7032 3.7032 3.8797 3.8797 4.0955 4.0955 4.3708 4.3708 4.4390 4.4390 4.6700 4.6700 5.1303 5.1303 5.2975 5.2975 5.4114 5.4114 6.6162 6.6162 7.1560 7.1560 7.1900 7.1900 7.3089 7.3089 7.4497 7.4497 10.4026 10.4026 11.0914 11.0914 11.1160 11.1160 11.8221 11.8221 k = 0.1042 0.1804 0.3048 ( 4260 PWs) bands (ev): -18.7646 -18.7646 -5.6682 -5.6682 -4.5753 -4.5753 -4.0112 -4.0112 -3.1455 -3.1455 -2.7412 -2.7412 3.3747 3.3747 3.4715 3.4715 3.6867 3.6867 3.8693 3.8693 4.0857 4.0857 4.3796 4.3796 4.4428 4.4428 4.6716 4.6716 5.1306 5.1306 5.2993 5.2993 5.4033 5.4033 6.6923 6.6923 7.1757 7.1757 7.2318 7.2318 7.3160 7.3160 7.4466 7.4466 10.3782 10.3782 11.0127 11.0127 11.1549 11.1549 11.8200 11.8200 k = 0.0972 0.1684 0.3048 ( 4260 PWs) bands (ev): -18.7661 -18.7661 -5.6691 -5.6691 -4.5675 -4.5675 -4.0083 -4.0083 -3.1569 -3.1569 -2.7273 -2.7273 3.3687 3.3687 3.4686 3.4686 3.6712 3.6712 3.8597 3.8597 4.0769 4.0769 4.3878 4.3878 4.4463 4.4463 4.6739 4.6739 5.1305 5.1305 5.3008 5.3008 5.3952 5.3952 6.7686 6.7686 7.1894 7.1894 7.2644 7.2644 7.3329 7.3329 7.4431 7.4431 10.3585 10.3585 10.9308 10.9308 11.1984 11.1984 11.8181 11.8181 k = 0.0903 0.1564 0.3048 ( 4256 PWs) bands (ev): -18.7676 -18.7676 -5.6704 -5.6704 -4.5590 -4.5590 -4.0057 -4.0057 -3.1688 -3.1688 -2.7137 -2.7137 3.3627 3.3627 3.4660 3.4660 3.6571 3.6571 3.8509 3.8509 4.0688 4.0688 4.3954 4.3954 4.4495 4.4495 4.6767 4.6767 5.1304 5.1304 5.3020 5.3020 5.3870 5.3870 6.8448 6.8448 7.2010 7.2010 7.2799 7.2799 7.3634 7.3634 7.4399 7.4399 10.3434 10.3434 10.8472 10.8472 11.2452 11.2452 11.8161 11.8161 k = 0.0833 0.1443 0.3048 ( 4248 PWs) bands (ev): -18.7689 -18.7689 -5.6719 -5.6719 -4.5497 -4.5497 -4.0034 -4.0034 -3.1810 -3.1810 -2.7005 -2.7005 3.3567 3.3567 3.4639 3.4639 3.6445 3.6445 3.8427 3.8427 4.0616 4.0616 4.4022 4.4022 4.4522 4.4522 4.6800 4.6800 5.1304 5.1304 5.3031 5.3031 5.3788 5.3788 6.9199 6.9199 7.2113 7.2113 7.2858 7.2858 7.3968 7.3968 7.4399 7.4399 10.3328 10.3328 10.7628 10.7628 11.2949 11.2949 11.8140 11.8140 k = 0.0764 0.1323 0.3048 ( 4248 PWs) bands (ev): -18.7702 -18.7702 -5.6737 -5.6737 -4.5399 -4.5399 -4.0013 -4.0013 -3.1931 -3.1931 -2.6879 -2.6879 3.3506 3.3506 3.4620 3.4620 3.6336 3.6336 3.8352 3.8352 4.0552 4.0552 4.4083 4.4083 4.4544 4.4544 4.6836 4.6836 5.1306 5.1306 5.3038 5.3038 5.3706 5.3706 6.9930 6.9930 7.2203 7.2203 7.2885 7.2885 7.4161 7.4161 7.4540 7.4540 10.3264 10.3264 10.6786 10.6786 11.3471 11.3471 11.8118 11.8118 k = 0.0694 0.1203 0.3048 ( 4252 PWs) bands (ev): -18.7714 -18.7714 -5.6757 -5.6757 -4.5299 -4.5299 -3.9996 -3.9996 -3.2051 -3.2051 -2.6760 -2.6760 3.3445 3.3445 3.4604 3.4604 3.6246 3.6246 3.8284 3.8284 4.0495 4.0495 4.4136 4.4136 4.4561 4.4561 4.6874 4.6874 5.1312 5.1312 5.3044 5.3044 5.3624 5.3624 7.0625 7.0625 7.2281 7.2281 7.2906 7.2906 7.4195 7.4195 7.4827 7.4827 10.3240 10.3240 10.5953 10.5953 11.4013 11.4013 11.8095 11.8095 k = 0.0625 0.1083 0.3048 ( 4248 PWs) bands (ev): -18.7726 -18.7726 -5.6777 -5.6777 -4.5198 -4.5198 -3.9981 -3.9981 -3.2167 -3.2167 -2.6650 -2.6650 3.3384 3.3384 3.4588 3.4588 3.6174 3.6174 3.8222 3.8222 4.0445 4.0445 4.4181 4.4181 4.4574 4.4574 4.6912 4.6912 5.1324 5.1324 5.3048 5.3048 5.3542 5.3542 7.1261 7.1261 7.2349 7.2349 7.2935 7.2935 7.4212 7.4212 7.5124 7.5124 10.3250 10.3250 10.5141 10.5141 11.4572 11.4572 11.8070 11.8070 k = 0.0556 0.0962 0.3048 ( 4252 PWs) bands (ev): -18.7736 -18.7736 -5.6797 -5.6797 -4.5099 -4.5099 -3.9969 -3.9969 -3.2277 -3.2277 -2.6550 -2.6550 3.3324 3.3324 3.4573 3.4573 3.6119 3.6119 3.8166 3.8166 4.0402 4.0402 4.4219 4.4219 4.4583 4.4583 4.6950 4.6950 5.1340 5.1340 5.3050 5.3050 5.3461 5.3461 7.1796 7.1796 7.2408 7.2408 7.2986 7.2986 7.4264 7.4264 7.5396 7.5396 10.3283 10.3283 10.4364 10.4364 11.5141 11.5141 11.8045 11.8045 k = 0.0486 0.0842 0.3048 ( 4252 PWs) bands (ev): -18.7745 -18.7745 -5.6817 -5.6817 -4.5004 -4.5004 -3.9959 -3.9959 -3.2379 -3.2379 -2.6459 -2.6459 3.3266 3.3266 3.4559 3.4559 3.6080 3.6080 3.8117 3.8117 4.0365 4.0365 4.4248 4.4248 4.4589 4.4589 4.6986 4.6986 5.1362 5.1362 5.3051 5.3051 5.3382 5.3382 7.2173 7.2173 7.2468 7.2468 7.3074 7.3074 7.4382 7.4382 7.5640 7.5640 10.3296 10.3296 10.3672 10.3672 11.5714 11.5714 11.8020 11.8020 k = 0.0417 0.0722 0.3048 ( 4256 PWs) bands (ev): -18.7753 -18.7753 -5.6835 -5.6835 -4.4916 -4.4916 -3.9952 -3.9952 -3.2472 -3.2472 -2.6379 -2.6379 3.3211 3.3211 3.4545 3.4545 3.6055 3.6055 3.8075 3.8075 4.0333 4.0333 4.4269 4.4269 4.4594 4.4594 4.7019 4.7019 5.1387 5.1387 5.3051 5.3051 5.3307 5.3307 7.2348 7.2348 7.2551 7.2551 7.3190 7.3190 7.4588 7.4588 7.5855 7.5855 10.2873 10.2873 10.3485 10.3485 11.6280 11.6280 11.7996 11.7996 k = 0.0347 0.0601 0.3048 ( 4252 PWs) bands (ev): -18.7760 -18.7760 -5.6852 -5.6852 -4.4837 -4.4837 -3.9946 -3.9946 -3.2553 -3.2553 -2.6311 -2.6311 3.3162 3.3162 3.4532 3.4532 3.6040 3.6040 3.8039 3.8039 4.0308 4.0308 4.4283 4.4283 4.4599 4.4599 4.7049 4.7049 5.1415 5.1415 5.3050 5.3050 5.3237 5.3237 7.2400 7.2400 7.2632 7.2632 7.3290 7.3290 7.4862 7.4862 7.6049 7.6049 10.2276 10.2276 10.3549 10.3549 11.6826 11.6826 11.7974 11.7974 k = 0.0278 0.0481 0.3048 ( 4248 PWs) bands (ev): -18.7765 -18.7765 -5.6866 -5.6866 -4.4770 -4.4770 -3.9942 -3.9942 -3.2622 -3.2622 -2.6254 -2.6254 3.3120 3.3120 3.4520 3.4520 3.6033 3.6033 3.8009 3.8009 4.0287 4.0287 4.4291 4.4291 4.4603 4.4603 4.7074 4.7074 5.1444 5.1444 5.3049 5.3049 5.3174 5.3174 7.2414 7.2414 7.2685 7.2685 7.3355 7.3355 7.5146 7.5146 7.6224 7.6224 10.1748 10.1748 10.3626 10.3626 11.7328 11.7328 11.7961 11.7961 k = 0.0208 0.0361 0.3048 ( 4252 PWs) bands (ev): -18.7770 -18.7770 -5.6878 -5.6878 -4.4715 -4.4715 -3.9939 -3.9939 -3.2677 -3.2677 -2.6209 -2.6209 3.3085 3.3085 3.4510 3.4510 3.6031 3.6031 3.7986 3.7986 4.0272 4.0272 4.4295 4.4295 4.4607 4.4607 4.7095 4.7095 5.1470 5.1470 5.3048 5.3048 5.3122 5.3122 7.2417 7.2417 7.2718 7.2718 7.3391 7.3391 7.5388 7.5388 7.6383 7.6383 10.1316 10.1316 10.3698 10.3698 11.7728 11.7728 11.7990 11.7990 k = 0.0139 0.0241 0.3048 ( 4240 PWs) bands (ev): -18.7773 -18.7773 -5.6886 -5.6886 -4.4674 -4.4674 -3.9937 -3.9937 -3.2717 -3.2717 -2.6178 -2.6178 3.3060 3.3060 3.4502 3.4502 3.6031 3.6031 3.7970 3.7970 4.0261 4.0261 4.4296 4.4296 4.4610 4.4610 4.7110 4.7110 5.1492 5.1492 5.3046 5.3046 5.3083 5.3083 7.2415 7.2415 7.2739 7.2739 7.3412 7.3412 7.5563 7.5563 7.6516 7.6516 10.0996 10.0996 10.3754 10.3754 11.7855 11.7855 11.8194 11.8194 k = 0.0069 0.0120 0.3048 ( 4242 PWs) bands (ev): -18.7775 -18.7775 -5.6892 -5.6892 -4.4649 -4.4649 -3.9936 -3.9936 -3.2742 -3.2742 -2.6158 -2.6158 3.3045 3.3045 3.4498 3.4498 3.6032 3.6032 3.7960 3.7960 4.0254 4.0254 4.4296 4.4296 4.4612 4.4612 4.7119 4.7119 5.1506 5.1506 5.3043 5.3043 5.3060 5.3060 7.2413 7.2413 7.2751 7.2751 7.3422 7.3422 7.5665 7.5665 7.6606 7.6606 10.0799 10.0799 10.3790 10.3790 11.7863 11.7863 11.8367 11.8367 k = 0.0000 0.0000 0.3048 ( 4242 PWs) bands (ev): -18.7776 -18.7776 -5.6893 -5.6893 -4.4641 -4.4641 -3.9936 -3.9936 -3.2750 -3.2750 -2.6152 -2.6152 3.3039 3.3039 3.4496 3.4496 3.6033 3.6033 3.7957 3.7957 4.0252 4.0252 4.4296 4.4296 4.4613 4.4613 4.7122 4.7122 5.1511 5.1511 5.3040 5.3040 5.3054 5.3054 7.2412 7.2412 7.2754 7.2754 7.3426 7.3426 7.5697 7.5697 7.6639 7.6639 10.0732 10.0732 10.3803 10.3803 11.7863 11.7863 11.8409 11.8409 k = 0.5000 0.2887 0.3048 ( 4272 PWs) bands (ev): -18.7323 -18.7323 -5.7628 -5.7628 -4.4474 -4.4474 -3.9767 -3.9767 -3.5081 -3.5081 -2.6992 -2.6992 3.2726 3.2726 3.8692 3.8692 4.1261 4.1261 4.1708 4.1708 4.2117 4.2117 4.2633 4.2633 4.4868 4.4868 4.7126 4.7126 5.0980 5.0980 5.2513 5.2513 5.4297 5.4297 5.6811 5.6811 6.0392 6.0392 6.1367 6.1367 7.3314 7.3314 7.6268 7.6268 10.3813 10.3813 11.1426 11.1426 11.8024 11.8024 12.7647 12.7647 k = 0.5000 0.2887 0.2910 ( 4272 PWs) bands (ev): -18.7323 -18.7323 -5.7629 -5.7629 -4.4476 -4.4476 -3.9763 -3.9763 -3.5081 -3.5081 -2.6993 -2.6993 3.2738 3.2738 3.8683 3.8683 4.1243 4.1243 4.1713 4.1713 4.2104 4.2104 4.2654 4.2654 4.4875 4.4875 4.7119 4.7119 5.0959 5.0959 5.2519 5.2519 5.4293 5.4293 5.6828 5.6828 6.0410 6.0410 6.1378 6.1378 7.3269 7.3269 7.6250 7.6250 10.3820 10.3820 11.1450 11.1450 11.8064 11.8064 12.7643 12.7643 k = 0.5000 0.2887 0.2771 ( 4276 PWs) bands (ev): -18.7323 -18.7323 -5.7630 -5.7630 -4.4481 -4.4481 -3.9753 -3.9753 -3.5080 -3.5080 -2.6997 -2.6997 3.2777 3.2777 3.8656 3.8656 4.1195 4.1195 4.1720 4.1720 4.2072 4.2072 4.2709 4.2709 4.4897 4.4897 4.7096 4.7096 5.0900 5.0900 5.2539 5.2539 5.4281 5.4281 5.6880 5.6880 6.0462 6.0462 6.1412 6.1412 7.3136 7.3136 7.6198 7.6198 10.3843 10.3843 11.1518 11.1518 11.8183 11.8183 12.7633 12.7633 k = 0.5000 0.2887 0.2633 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7633 -5.7633 -4.4489 -4.4489 -3.9736 -3.9736 -3.5079 -3.5079 -2.7003 -2.7003 3.2840 3.2840 3.8612 3.8612 4.1125 4.1125 4.1716 4.1716 4.2040 4.2040 4.2787 4.2787 4.4933 4.4933 4.7060 4.7060 5.0810 5.0810 5.2567 5.2567 5.4263 5.4263 5.6964 5.6964 6.0548 6.0548 6.1468 6.1468 7.2918 7.2918 7.6112 7.6112 10.3876 10.3876 11.1630 11.1630 11.8383 11.8383 12.7616 12.7616 k = 0.5000 0.2887 0.2494 ( 4262 PWs) bands (ev): -18.7323 -18.7323 -5.7636 -5.7636 -4.4500 -4.4500 -3.9712 -3.9712 -3.5077 -3.5077 -2.7012 -2.7012 3.2929 3.2929 3.8553 3.8553 4.1039 4.1039 4.1684 4.1684 4.2024 4.2024 4.2879 4.2879 4.4981 4.4981 4.7010 4.7010 5.0696 5.0696 5.2600 5.2600 5.4239 5.4239 5.7074 5.7074 6.0666 6.0666 6.1546 6.1546 7.2621 7.2621 7.5992 7.5992 10.3918 10.3918 11.1780 11.1780 11.8663 11.8663 12.7597 12.7597 k = 0.5000 0.2887 0.2356 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7641 -5.7641 -4.4513 -4.4513 -3.9683 -3.9683 -3.5076 -3.5076 -2.7023 -2.7023 3.3041 3.3041 3.8480 3.8480 4.0943 4.0943 4.1621 4.1621 4.2030 4.2030 4.2979 4.2979 4.5041 4.5041 4.6945 4.6945 5.0568 5.0568 5.2635 5.2635 5.4210 5.4210 5.7205 5.7205 6.0815 6.0815 6.1645 6.1645 7.2251 7.2251 7.5842 7.5842 10.3962 10.3962 11.1962 11.1962 11.9023 11.9023 12.7580 12.7580 k = 0.5000 0.2887 0.2217 ( 4256 PWs) bands (ev): -18.7323 -18.7323 -5.7646 -5.7646 -4.4529 -4.4529 -3.9648 -3.9648 -3.5074 -3.5074 -2.7036 -2.7036 3.3177 3.3177 3.8395 3.8395 4.0840 4.0840 4.1532 4.1532 4.2048 4.2048 4.3084 4.3084 4.5112 4.5112 4.6869 4.6869 5.0434 5.0434 5.2669 5.2669 5.4178 5.4178 5.7355 5.7355 6.0992 6.0992 6.1763 6.1763 7.1819 7.1819 7.5661 7.5661 10.4005 10.4005 11.2171 11.2171 11.9460 11.9460 12.7572 12.7572 k = 0.5000 0.2887 0.2078 ( 4254 PWs) bands (ev): -18.7323 -18.7323 -5.7652 -5.7652 -4.4546 -4.4546 -3.9609 -3.9609 -3.5071 -3.5071 -2.7051 -2.7051 3.3336 3.3336 3.8302 3.8302 4.0732 4.0732 4.1423 4.1423 4.2073 4.2073 4.3191 4.3191 4.5190 4.5190 4.6781 4.6781 5.0299 5.0299 5.2702 5.2702 5.4143 5.4143 5.7517 5.7517 6.1194 6.1194 6.1898 6.1898 7.1331 7.1331 7.5454 7.5454 10.4043 10.4043 11.2397 11.2397 11.9966 11.9966 12.7583 12.7583 k = 0.5000 0.2887 0.1940 ( 4252 PWs) bands (ev): -18.7323 -18.7323 -5.7658 -5.7658 -4.4565 -4.4565 -3.9567 -3.9567 -3.5069 -3.5069 -2.7067 -2.7067 3.3516 3.3516 3.8201 3.8201 4.0622 4.0622 4.1298 4.1298 4.2100 4.2100 4.3298 4.3298 4.5275 4.5275 4.6685 4.6685 5.0169 5.0169 5.2732 5.2732 5.4108 5.4108 5.7690 5.7690 6.1418 6.1418 6.2049 6.2049 7.0799 7.0799 7.5222 7.5222 10.4073 10.4073 11.2635 11.2635 12.0528 12.0528 12.7628 12.7628 k = 0.5000 0.2887 0.1801 ( 4254 PWs) bands (ev): -18.7323 -18.7323 -5.7665 -5.7665 -4.4584 -4.4584 -3.9522 -3.9522 -3.5066 -3.5066 -2.7084 -2.7084 3.3716 3.3716 3.8095 3.8095 4.0511 4.0511 4.1158 4.1158 4.2126 4.2126 4.3404 4.3404 4.5363 4.5363 4.6584 4.6584 5.0048 5.0048 5.2760 5.2760 5.4072 5.4072 5.7872 5.7872 6.1662 6.1662 6.2212 6.2212 7.0232 7.0232 7.4967 7.4967 10.4095 10.4095 11.2877 11.2877 12.1123 12.1123 12.7729 12.7729 k = 0.5000 0.2887 0.1663 ( 4258 PWs) bands (ev): -18.7323 -18.7323 -5.7673 -5.7673 -4.4605 -4.4605 -3.9476 -3.9476 -3.5064 -3.5064 -2.7102 -2.7102 3.3935 3.3935 3.7988 3.7988 4.0401 4.0401 4.1004 4.1004 4.2151 4.2151 4.3508 4.3508 4.5451 4.5451 4.6482 4.6482 4.9936 4.9936 5.2786 5.2786 5.4037 5.4037 5.8062 5.8062 6.1921 6.1921 6.2384 6.2384 6.9638 6.9638 7.4695 7.4695 10.4109 10.4109 11.3118 11.3118 12.1719 12.1719 12.7916 12.7916 k = 0.5000 0.2887 0.1524 ( 4262 PWs) bands (ev): -18.7323 -18.7323 -5.7680 -5.7680 -4.4625 -4.4625 -3.9428 -3.9428 -3.5061 -3.5061 -2.7120 -2.7120 3.4171 3.4171 3.7880 3.7880 4.0293 4.0293 4.0835 4.0835 4.2174 4.2174 4.3608 4.3608 4.5535 4.5535 4.6385 4.6385 4.9836 4.9836 5.2809 5.2809 5.4002 5.4002 5.8259 5.8259 6.2191 6.2191 6.2562 6.2562 6.9027 6.9027 7.4407 7.4407 10.4114 10.4114 11.3355 11.3355 12.2274 12.2274 12.8226 12.8226 k = 0.5000 0.2887 0.1386 ( 4258 PWs) bands (ev): -18.7323 -18.7323 -5.7687 -5.7687 -4.4644 -4.4644 -3.9382 -3.9382 -3.5059 -3.5059 -2.7139 -2.7139 3.4422 3.4422 3.7774 3.7774 4.0186 4.0186 4.0653 4.0653 4.2195 4.2195 4.3705 4.3705 4.5606 4.5606 4.6301 4.6301 4.9747 4.9747 5.2830 5.2830 5.3969 5.3969 5.8464 5.8464 6.2469 6.2469 6.2742 6.2742 6.8408 6.8408 7.4108 7.4108 10.4112 10.4112 11.3583 11.3583 12.2747 12.2747 12.8696 12.8696 k = 0.5000 0.2887 0.1247 ( 4258 PWs) bands (ev): -18.7323 -18.7323 -5.7694 -5.7694 -4.4663 -4.4663 -3.9336 -3.9336 -3.5056 -3.5056 -2.7157 -2.7157 3.4687 3.4687 3.7672 3.7672 4.0080 4.0080 4.0461 4.0461 4.2214 4.2214 4.3796 4.3796 4.5653 4.5653 4.6244 4.6244 4.9670 4.9670 5.2849 5.2849 5.3939 5.3939 5.8678 5.8678 6.2747 6.2747 6.2925 6.2925 6.7789 6.7789 7.3804 7.3804 10.4105 10.4105 11.3801 11.3801 12.3109 12.3109 12.9348 12.9348 k = 0.5000 0.2887 0.1108 ( 4246 PWs) bands (ev): -18.7323 -18.7323 -5.7701 -5.7701 -4.4681 -4.4681 -3.9292 -3.9292 -3.5054 -3.5054 -2.7174 -2.7174 3.4963 3.4963 3.7576 3.7576 3.9967 3.9967 4.0267 4.0267 4.2231 4.2231 4.3881 4.3881 4.5665 4.5665 4.6224 4.6224 4.9604 4.9604 5.2866 5.2866 5.3910 5.3910 5.8900 5.8900 6.3005 6.3005 6.3120 6.3120 6.7178 6.7178 7.3499 7.3499 10.4094 10.4094 11.4005 11.4005 12.3356 12.3356 13.0179 13.0179 k = 0.5000 0.2887 0.0970 ( 4250 PWs) bands (ev): -18.7323 -18.7323 -5.7708 -5.7708 -4.4698 -4.4698 -3.9252 -3.9252 -3.5052 -3.5052 -2.7190 -2.7190 3.5247 3.5247 3.7486 3.7486 3.9830 3.9830 4.0093 4.0093 4.2245 4.2245 4.3960 4.3960 4.5642 4.5642 4.6241 4.6241 4.9548 4.9548 5.2881 5.2881 5.3884 5.3884 5.9132 5.9132 6.3203 6.3203 6.3359 6.3359 6.6583 6.6583 7.3199 7.3199 10.4080 10.4080 11.4193 11.4193 12.3506 12.3506 13.1163 13.1163 k = 0.5000 0.2887 0.0831 ( 4256 PWs) bands (ev): -18.7323 -18.7323 -5.7714 -5.7714 -4.4713 -4.4713 -3.9215 -3.9215 -3.5050 -3.5050 -2.7205 -2.7205 3.5536 3.5536 3.7404 3.7404 3.9647 3.9647 3.9964 3.9964 4.2258 4.2258 4.4030 4.4030 4.5597 4.5597 4.6283 4.6283 4.9501 4.9501 5.2894 5.2894 5.3861 5.3861 5.9370 5.9370 6.3358 6.3358 6.3616 6.3616 6.6013 6.6013 7.2912 7.2912 10.4065 10.4065 11.4363 11.4363 12.3583 12.3583 13.2264 13.2264 k = 0.5000 0.2887 0.0693 ( 4252 PWs) bands (ev): -18.7323 -18.7323 -5.7719 -5.7719 -4.4726 -4.4726 -3.9182 -3.9182 -3.5049 -3.5049 -2.7218 -2.7218 3.5826 3.5826 3.7331 3.7331 3.9426 3.9426 3.9875 3.9875 4.2268 4.2268 4.4093 4.4093 4.5545 4.5545 4.6334 4.6334 4.9462 4.9462 5.2905 5.2905 5.3842 5.3842 5.9613 5.9613 6.3488 6.3488 6.3862 6.3862 6.5478 6.5478 7.2645 7.2645 10.4050 10.4050 11.4513 11.4513 12.3613 12.3613 13.3442 13.3442 k = 0.5000 0.2887 0.0554 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7723 -5.7723 -4.4737 -4.4737 -3.9155 -3.9155 -3.5047 -3.5047 -2.7229 -2.7229 3.6112 3.6112 3.7267 3.7267 3.9192 3.9192 3.9811 3.9811 4.2276 4.2276 4.4146 4.4146 4.5494 4.5494 4.6384 4.6384 4.9432 4.9432 5.2914 5.2914 5.3825 5.3825 5.9854 5.9854 6.3596 6.3596 6.4081 6.4081 6.4991 6.4991 7.2407 7.2407 10.4036 10.4036 11.4639 11.4639 12.3614 12.3614 13.4655 13.4655 k = 0.5000 0.2887 0.0416 ( 4268 PWs) bands (ev): -18.7323 -18.7323 -5.7727 -5.7727 -4.4745 -4.4745 -3.9133 -3.9133 -3.5046 -3.5046 -2.7238 -2.7238 3.6384 3.6384 3.7210 3.7210 3.8962 3.8962 3.9763 3.9763 4.2283 4.2283 4.4189 4.4189 4.5449 4.5449 4.6428 4.6428 4.9408 4.9408 5.2922 5.2922 5.3812 5.3812 6.0081 6.0081 6.3681 6.3681 6.4259 6.4259 6.4575 6.4575 7.2208 7.2208 10.4025 10.4025 11.4741 11.4741 12.3602 12.3602 13.5842 13.5842 k = 0.5000 0.2887 0.0277 ( 4262 PWs) bands (ev): -18.7323 -18.7323 -5.7729 -5.7729 -4.4751 -4.4751 -3.9117 -3.9117 -3.5045 -3.5045 -2.7244 -2.7244 3.6631 3.6631 3.7157 3.7157 3.8757 3.8757 3.9730 3.9730 4.2287 4.2287 4.4220 4.4220 4.5416 4.5416 4.6462 4.6462 4.9392 4.9392 5.2927 5.2927 5.3803 5.3803 6.0276 6.0276 6.3740 6.3740 6.4209 6.4209 6.4431 6.4431 7.2058 7.2058 10.4016 10.4016 11.4815 11.4815 12.3587 12.3587 13.6901 13.6901 k = 0.5000 0.2887 0.0139 ( 4262 PWs) bands (ev): -18.7323 -18.7323 -5.7731 -5.7731 -4.4755 -4.4755 -3.9107 -3.9107 -3.5045 -3.5045 -2.7248 -2.7248 3.6831 3.6831 3.7099 3.7099 3.8607 3.8607 3.9711 3.9711 4.2290 4.2290 4.4240 4.4240 4.5395 4.5395 4.6483 4.6483 4.9382 4.9382 5.2930 5.2930 5.3797 5.3797 6.0411 6.0411 6.3769 6.3769 6.4005 6.4005 6.4509 6.4509 7.1963 7.1963 10.4010 10.4010 11.4861 11.4861 12.3575 12.3575 13.7630 13.7630 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -18.7323 -18.7323 -5.7731 -5.7731 -4.4756 -4.4756 -3.9104 -3.9104 -3.5045 -3.5045 -2.7249 -2.7249 3.6937 3.6937 3.7047 3.7047 3.8550 3.8550 3.9704 3.9704 4.2291 4.2291 4.4246 4.4246 4.5388 4.5388 4.6490 4.6490 4.9379 4.9379 5.2931 5.2931 5.3796 5.3796 6.0461 6.0461 6.3773 6.3773 6.3937 6.3937 6.4538 6.4538 7.1931 7.1931 10.4008 10.4008 11.4876 11.4876 12.3571 12.3571 13.7862 13.7862 k = 0.3333 0.5774-0.0000 ( 4287 PWs) bands (ev): -18.7266 -18.7266 -5.7376 -5.7376 -4.5780 -4.5780 -4.0489 -4.0489 -3.1594 -3.1594 -2.9071 -2.9071 3.6502 3.6502 3.6696 3.6696 4.0011 4.0011 4.1941 4.1941 4.3229 4.3229 4.3415 4.3415 4.4705 4.4705 4.9565 4.9565 5.1213 5.1213 5.2344 5.2344 5.2711 5.2711 5.4507 5.4507 5.5235 5.5235 6.5337 6.5337 6.6773 6.6773 7.5166 7.5166 11.4107 11.4107 11.4631 11.4631 12.0449 12.0449 12.4837 12.4837 k = 0.3333 0.5774 0.0139 ( 4284 PWs) bands (ev): -18.7266 -18.7266 -5.7376 -5.7376 -4.5779 -4.5779 -4.0488 -4.0488 -3.1595 -3.1595 -2.9073 -2.9073 3.6510 3.6510 3.6702 3.6702 3.9997 3.9997 4.1945 4.1945 4.3229 4.3229 4.3410 4.3410 4.4701 4.4701 4.9578 4.9578 5.1216 5.1216 5.2344 5.2344 5.2716 5.2716 5.4504 5.4504 5.5232 5.5232 6.5344 6.5344 6.6776 6.6776 7.5149 7.5149 11.4117 11.4117 11.4640 11.4640 12.0467 12.0467 12.4841 12.4841 k = 0.3333 0.5774 0.0277 ( 4290 PWs) bands (ev): -18.7266 -18.7266 -5.7375 -5.7375 -4.5776 -4.5776 -4.0488 -4.0488 -3.1598 -3.1598 -2.9078 -2.9078 3.6537 3.6537 3.6720 3.6720 3.9956 3.9956 4.1957 4.1957 4.3228 4.3228 4.3394 4.3394 4.4689 4.4689 4.9614 4.9614 5.1226 5.1226 5.2342 5.2342 5.2730 5.2730 5.4492 5.4492 5.5220 5.5220 6.5363 6.5363 6.6785 6.6785 7.5096 7.5096 11.4148 11.4148 11.4666 11.4666 12.0522 12.0522 12.4851 12.4851 k = 0.3333 0.5774 0.0416 ( 4296 PWs) bands (ev): -18.7266 -18.7266 -5.7374 -5.7374 -4.5772 -4.5772 -4.0487 -4.0487 -3.1604 -3.1604 -2.9088 -2.9088 3.6580 3.6580 3.6751 3.6751 3.9891 3.9891 4.1974 4.1974 4.3228 4.3228 4.3368 4.3368 4.4668 4.4668 4.9671 4.9671 5.1243 5.1243 5.2339 5.2339 5.2755 5.2755 5.4473 5.4473 5.5201 5.5201 6.5394 6.5394 6.6800 6.6800 7.5010 7.5010 11.4199 11.4199 11.4709 11.4709 12.0613 12.0613 12.4868 12.4868 k = 0.3333 0.5774 0.0554 ( 4290 PWs) bands (ev): -18.7266 -18.7266 -5.7372 -5.7372 -4.5765 -4.5765 -4.0485 -4.0485 -3.1612 -3.1612 -2.9100 -2.9100 3.6640 3.6640 3.6793 3.6793 3.9806 3.9806 4.1993 4.1993 4.3227 4.3227 4.3331 4.3331 4.4642 4.4642 4.9745 4.9745 5.1267 5.1267 5.2335 5.2335 5.2793 5.2793 5.4447 5.4447 5.5175 5.5175 6.5436 6.5436 6.6820 6.6820 7.4891 7.4891 11.4270 11.4270 11.4768 11.4768 12.0739 12.0739 12.4890 12.4890 k = 0.3333 0.5774 0.0693 ( 4290 PWs) bands (ev): -18.7266 -18.7266 -5.7369 -5.7369 -4.5758 -4.5758 -4.0484 -4.0484 -3.1622 -3.1622 -2.9116 -2.9116 3.6715 3.6715 3.6845 3.6845 3.9706 3.9706 4.2012 4.2012 4.3227 4.3227 4.3285 4.3285 4.4609 4.4609 4.9830 4.9830 5.1297 5.1297 5.2328 5.2328 5.2846 5.2846 5.4415 5.4415 5.5143 5.5143 6.5490 6.5490 6.6846 6.6846 7.4741 7.4741 11.4359 11.4359 11.4843 11.4843 12.0900 12.0900 12.4917 12.4917 k = 0.3333 0.5774 0.0831 ( 4290 PWs) bands (ev): -18.7266 -18.7266 -5.7366 -5.7366 -4.5749 -4.5749 -4.0482 -4.0482 -3.1633 -3.1633 -2.9135 -2.9135 3.6806 3.6806 3.6907 3.6907 3.9597 3.9597 4.2027 4.2027 4.3226 4.3226 4.3230 4.3230 4.4572 4.4572 4.9919 4.9919 5.1335 5.1335 5.2318 5.2318 5.2917 5.2917 5.4378 5.4378 5.5105 5.5105 6.5553 6.5553 6.6877 6.6877 7.4562 7.4562 11.4466 11.4466 11.4934 11.4934 12.1096 12.1096 12.4947 12.4947 k = 0.3333 0.5774 0.0970 ( 4284 PWs) bands (ev): -18.7266 -18.7266 -5.7363 -5.7363 -4.5738 -4.5738 -4.0479 -4.0479 -3.1646 -3.1646 -2.9156 -2.9156 3.6911 3.6911 3.6977 3.6977 3.9482 3.9482 4.2037 4.2037 4.3166 4.3166 4.3226 4.3226 4.4532 4.4532 5.0008 5.0008 5.1377 5.1377 5.2305 5.2305 5.3010 5.3010 5.4337 5.4337 5.5063 5.5063 6.5626 6.5626 6.6913 6.6913 7.4357 7.4357 11.4590 11.4590 11.5038 11.5038 12.1325 12.1325 12.4978 12.4978 k = 0.3333 0.5774 0.1108 ( 4284 PWs) bands (ev): -18.7266 -18.7266 -5.7359 -5.7359 -4.5727 -4.5727 -4.0477 -4.0477 -3.1661 -3.1661 -2.9180 -2.9180 3.7028 3.7028 3.7053 3.7053 3.9366 3.9366 4.2040 4.2040 4.3096 4.3096 4.3225 4.3225 4.4490 4.4490 5.0090 5.0090 5.1422 5.1422 5.2288 5.2288 5.3126 5.3126 5.4293 5.4293 5.5016 5.5016 6.5705 6.5705 6.6953 6.6953 7.4129 7.4129 11.4727 11.4727 11.5155 11.5155 12.1586 12.1586 12.5008 12.5008 k = 0.3333 0.5774 0.1247 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7356 -5.7356 -4.5715 -4.5715 -4.0474 -4.0474 -3.1676 -3.1676 -2.9205 -2.9205 3.7133 3.7133 3.7156 3.7156 3.9254 3.9254 4.2035 4.2035 4.3018 4.3018 4.3225 4.3225 4.4448 4.4448 5.0162 5.0162 5.1468 5.1468 5.2266 5.2266 5.3269 5.3269 5.4248 5.4248 5.4968 5.4968 6.5790 6.5790 6.6997 6.6997 7.3883 7.3883 11.4878 11.4878 11.5283 11.5283 12.1877 12.1877 12.5037 12.5037 k = 0.3333 0.5774 0.1386 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7352 -5.7352 -4.5702 -4.5702 -4.0471 -4.0471 -3.1692 -3.1692 -2.9231 -2.9231 3.7214 3.7214 3.7293 3.7293 3.9149 3.9149 4.2022 4.2022 4.2935 4.2935 4.3224 4.3224 4.4406 4.4406 5.0222 5.0222 5.1510 5.1510 5.2239 5.2239 5.3436 5.3436 5.4203 5.4203 5.4919 5.4919 6.5878 6.5878 6.7044 6.7044 7.3621 7.3621 11.5039 11.5039 11.5421 11.5421 12.2198 12.2198 12.5060 12.5060 k = 0.3333 0.5774 0.1524 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7348 -5.7348 -4.5689 -4.5689 -4.0468 -4.0468 -3.1708 -3.1708 -2.9257 -2.9257 3.7293 3.7293 3.7437 3.7437 3.9056 3.9056 4.2001 4.2001 4.2847 4.2847 4.3224 4.3224 4.4365 4.4365 5.0271 5.0271 5.1547 5.1547 5.2207 5.2207 5.3624 5.3624 5.4159 5.4159 5.4872 5.4872 6.5969 6.5969 6.7092 6.7092 7.3349 7.3349 11.5207 11.5207 11.5567 11.5567 12.2546 12.2546 12.5078 12.5078 k = 0.3333 0.5774 0.1663 ( 4272 PWs) bands (ev): -18.7266 -18.7266 -5.7343 -5.7343 -4.5676 -4.5676 -4.0465 -4.0465 -3.1725 -3.1725 -2.9284 -2.9284 3.7365 3.7365 3.7586 3.7586 3.8978 3.8978 4.1972 4.1972 4.2756 4.2756 4.3223 4.3223 4.4327 4.4327 5.0309 5.0309 5.1577 5.1577 5.2170 5.2170 5.3825 5.3825 5.4117 5.4117 5.4831 5.4831 6.6059 6.6059 6.7142 6.7142 7.3073 7.3073 11.5381 11.5381 11.5717 11.5717 12.2920 12.2920 12.5088 12.5088 k = 0.3333 0.5774 0.1801 ( 4272 PWs) bands (ev): -18.7266 -18.7266 -5.7339 -5.7339 -4.5663 -4.5663 -4.0463 -4.0463 -3.1741 -3.1741 -2.9310 -2.9310 3.7428 3.7428 3.7738 3.7738 3.8919 3.8919 4.1937 4.1937 4.2663 4.2663 4.3221 4.3221 4.4291 4.4291 5.0337 5.0337 5.1601 5.1601 5.2129 5.2129 5.4028 5.4028 5.4079 5.4079 5.4804 5.4804 6.6147 6.6147 6.7192 6.7192 7.2796 7.2796 11.5557 11.5557 11.5871 11.5871 12.3315 12.3315 12.5089 12.5089 k = 0.3333 0.5774 0.1940 ( 4266 PWs) bands (ev): -18.7266 -18.7266 -5.7336 -5.7336 -4.5650 -4.5650 -4.0460 -4.0460 -3.1756 -3.1756 -2.9335 -2.9335 3.7478 3.7478 3.7889 3.7889 3.8881 3.8881 4.1897 4.1897 4.2570 4.2570 4.3220 4.3220 4.4259 4.4259 5.0358 5.0358 5.1619 5.1619 5.2086 5.2086 5.4045 5.4045 5.4210 5.4210 5.4804 5.4804 6.6232 6.6232 6.7241 6.7241 7.2525 7.2525 11.5731 11.5731 11.6023 11.6023 12.3728 12.3728 12.5082 12.5082 k = 0.3333 0.5774 0.2078 ( 4254 PWs) bands (ev): -18.7266 -18.7266 -5.7332 -5.7332 -4.5639 -4.5639 -4.0457 -4.0457 -3.1770 -3.1770 -2.9359 -2.9359 3.7513 3.7513 3.8036 3.8036 3.8865 3.8865 4.1853 4.1853 4.2479 4.2479 4.3218 4.3218 4.4231 4.4231 5.0373 5.0373 5.1631 5.1631 5.2041 5.2041 5.4016 5.4016 5.4338 5.4338 5.4860 5.4860 6.6310 6.6310 6.7288 6.7288 7.2266 7.2266 11.5900 11.5900 11.6172 11.6172 12.4150 12.4150 12.5066 12.5066 k = 0.3333 0.5774 0.2217 ( 4257 PWs) bands (ev): -18.7266 -18.7266 -5.7329 -5.7329 -4.5628 -4.5628 -4.0455 -4.0455 -3.1784 -3.1784 -2.9380 -2.9380 3.7534 3.7534 3.8176 3.8176 3.8869 3.8869 4.1808 4.1808 4.2390 4.2390 4.3215 4.3215 4.4205 4.4205 5.0383 5.0383 5.1639 5.1639 5.1997 5.1997 5.3990 5.3990 5.4395 5.4395 5.4981 5.4981 6.6381 6.6381 6.7331 6.7331 7.2026 7.2026 11.6060 11.6060 11.6313 11.6313 12.4561 12.4561 12.5043 12.5043 k = 0.3333 0.5774 0.2356 ( 4263 PWs) bands (ev): -18.7266 -18.7266 -5.7326 -5.7326 -4.5619 -4.5619 -4.0453 -4.0453 -3.1795 -3.1795 -2.9399 -2.9399 3.7542 3.7542 3.8305 3.8305 3.8887 3.8887 4.1763 4.1763 4.2308 4.2308 4.3213 4.3213 4.4184 4.4184 5.0389 5.0389 5.1645 5.1645 5.1955 5.1955 5.3969 5.3969 5.4406 5.4406 5.5135 5.5135 6.6442 6.6442 6.7369 6.7369 7.1809 7.1809 11.6205 11.6205 11.6443 11.6443 12.4846 12.4846 12.5016 12.5016 k = 0.3333 0.5774 0.2494 ( 4260 PWs) bands (ev): -18.7266 -18.7266 -5.7323 -5.7323 -4.5611 -4.5611 -4.0451 -4.0451 -3.1805 -3.1805 -2.9415 -2.9415 3.7542 3.7542 3.8418 3.8418 3.8915 3.8915 4.1722 4.1722 4.2235 4.2235 4.3211 4.3211 4.4167 4.4167 5.0393 5.0393 5.1647 5.1647 5.1918 5.1918 5.3953 5.3953 5.4398 5.4398 5.5289 5.5289 6.6494 6.6494 6.7403 6.7403 7.1622 7.1622 11.6332 11.6332 11.6556 11.6556 12.4895 12.4895 12.4987 12.4987 k = 0.3333 0.5774 0.2633 ( 4260 PWs) bands (ev): -18.7266 -18.7266 -5.7321 -5.7321 -4.5604 -4.5604 -4.0449 -4.0449 -3.1813 -3.1813 -2.9428 -2.9428 3.7537 3.7537 3.8512 3.8512 3.8945 3.8945 4.1685 4.1685 4.2173 4.2173 4.3209 4.3209 4.4154 4.4154 5.0395 5.0395 5.1649 5.1649 5.1887 5.1887 5.3940 5.3940 5.4385 5.4385 5.5422 5.5422 6.6535 6.6535 6.7429 6.7429 7.1470 7.1470 11.6436 11.6436 11.6650 11.6650 12.4881 12.4881 12.4959 12.4959 k = 0.3333 0.5774 0.2771 ( 4260 PWs) bands (ev): -18.7266 -18.7266 -5.7320 -5.7320 -4.5600 -4.5600 -4.0448 -4.0448 -3.1819 -3.1819 -2.9437 -2.9437 3.7531 3.7531 3.8583 3.8583 3.8971 3.8971 4.1657 4.1657 4.2127 4.2127 4.3207 4.3207 4.4145 4.4145 5.0396 5.0396 5.1650 5.1650 5.1863 5.1863 5.3931 5.3931 5.4373 5.4373 5.5524 5.5524 6.6565 6.6565 6.7449 6.7449 7.1359 7.1359 11.6514 11.6514 11.6720 11.6720 12.4860 12.4860 12.4937 12.4937 k = 0.3333 0.5774 0.2910 ( 4254 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5597 -4.5597 -4.0448 -4.0448 -3.1822 -3.1822 -2.9443 -2.9443 3.7527 3.7527 3.8627 3.8627 3.8988 3.8988 4.1640 4.1640 4.2098 4.2098 4.3206 4.3206 4.4139 4.4139 5.0397 5.0397 5.1650 5.1650 5.1849 5.1849 5.3926 5.3926 5.4366 5.4366 5.5587 5.5587 6.6583 6.6583 6.7461 6.7461 7.1290 7.1290 11.6562 11.6562 11.6763 11.6763 12.4845 12.4845 12.4922 12.4922 k = 0.3333 0.5774 0.3048 ( 4278 PWs) bands (ev): -18.7266 -18.7266 -5.7319 -5.7319 -4.5596 -4.5596 -4.0447 -4.0447 -3.1823 -3.1823 -2.9445 -2.9445 3.7525 3.7525 3.8641 3.8641 3.8994 3.8994 4.1633 4.1633 4.2087 4.2087 4.3205 4.3205 4.4137 4.4137 5.0396 5.0396 5.1650 5.1650 5.1844 5.1844 5.3924 5.3924 5.4362 5.4362 5.5609 5.5609 6.6588 6.6588 6.7465 6.7465 7.1266 7.1266 11.6578 11.6578 11.6777 11.6777 12.4840 12.4840 12.4917 12.4917 Writing output data file BaxAgSx2.save init_run : 1.07s CPU 1.17s WALL ( 1 calls) electrons : 136.58s CPU 138.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 136.58s CPU 138.95s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 303 calls) cegterg : 125.52s CPU 127.28s WALL ( 329 calls) Called by sum_band: Called by *egterg: h_psi : 63.96s CPU 65.35s WALL ( 5981 calls) s_psi : 6.68s CPU 6.79s WALL ( 5981 calls) g_psi : 0.23s CPU 0.22s WALL ( 5349 calls) cdiaghg : 48.36s CPU 48.87s WALL ( 5652 calls) cegterg:over : 5.67s CPU 5.68s WALL ( 5349 calls) cegterg:upda : 4.81s CPU 4.87s WALL ( 5349 calls) cegterg:last : 2.37s CPU 2.38s WALL ( 940 calls) cdiaghg:chol : 2.72s CPU 2.78s WALL ( 5652 calls) cdiaghg:inve : 1.93s CPU 1.93s WALL ( 5652 calls) cdiaghg:para : 3.12s CPU 3.07s WALL ( 11304 calls) Called by h_psi: h_psi:vloc : 50.30s CPU 51.49s WALL ( 5981 calls) h_psi:vnl : 13.47s CPU 13.65s WALL ( 5981 calls) add_vuspsi : 6.98s CPU 7.01s WALL ( 5981 calls) General routines calbec : 6.48s CPU 6.62s WALL ( 5981 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.72s CPU 48.66s WALL ( 692424 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.24s WALL ( 606 calls) Parallel routines fft_scatter : 19.26s CPU 19.87s WALL ( 692447 calls) PWSCF : 2m32.98s CPU 2m49.14s WALL This run was terminated on: 14:41:47 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=