Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 4:34 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: ./BaxMgPx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 50 30 8 3007 1418 216 Max 52 31 9 3012 1447 225 Sum 1813 1111 313 108377 51701 7945 bravais-lattice index = 14 lattice parameter (alat) = 8.2524 a.u. unit-cell volume = 844.8172 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.252433 celldm(2)= 1.000000 celldm(3)= 1.735745 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 1.735745 ) 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 0.576121 ) PseudoPot. # 1 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. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 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 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ba 10.00 137.32700 Ba( 1.00) Mg 10.00 24.30500 Mg( 1.00) P 5.00 30.97380 P( 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= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0137172), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0274344), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0411515), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0548687), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.0685859), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.0823031), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.0960202), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1097374), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.1234546), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.1371718), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.1508889), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.1646061), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.1783233), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.1920405), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.2057576), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.2194748), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.2331920), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.2469092), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.2606263), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.2743435), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.2880607), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.2880607), wk = 0.0033333 k( 141) = ( 0.0119048 0.0068732 0.2880607), wk = 0.0033333 k( 142) = ( 0.0238095 0.0137464 0.2880607), wk = 0.0033333 k( 143) = ( 0.0357143 0.0206197 0.2880607), wk = 0.0033333 k( 144) = ( 0.0476191 0.0274929 0.2880607), wk = 0.0033333 k( 145) = ( 0.0595238 0.0343661 0.2880607), wk = 0.0033333 k( 146) = ( 0.0714286 0.0412393 0.2880607), wk = 0.0033333 k( 147) = ( 0.0833333 0.0481125 0.2880607), wk = 0.0033333 k( 148) = ( 0.0952381 0.0549857 0.2880607), wk = 0.0033333 k( 149) = ( 0.1071429 0.0618590 0.2880607), wk = 0.0033333 k( 150) = ( 0.1190476 0.0687322 0.2880607), wk = 0.0033333 k( 151) = ( 0.1309524 0.0756054 0.2880607), wk = 0.0033333 k( 152) = ( 0.1428571 0.0824786 0.2880607), wk = 0.0033333 k( 153) = ( 0.1547619 0.0893518 0.2880607), wk = 0.0033333 k( 154) = ( 0.1666667 0.0962250 0.2880607), wk = 0.0033333 k( 155) = ( 0.1785714 0.1030983 0.2880607), wk = 0.0033333 k( 156) = ( 0.1904762 0.1099715 0.2880607), wk = 0.0033333 k( 157) = ( 0.2023810 0.1168447 0.2880607), wk = 0.0033333 k( 158) = ( 0.2142857 0.1237179 0.2880607), wk = 0.0033333 k( 159) = ( 0.2261905 0.1305911 0.2880607), wk = 0.0033333 k( 160) = ( 0.2380952 0.1374644 0.2880607), wk = 0.0033333 k( 161) = ( 0.2500000 0.1443376 0.2880607), wk = 0.0033333 k( 162) = ( 0.2619048 0.1512108 0.2880607), wk = 0.0033333 k( 163) = ( 0.2738095 0.1580840 0.2880607), wk = 0.0033333 k( 164) = ( 0.2857143 0.1649572 0.2880607), wk = 0.0033333 k( 165) = ( 0.2976190 0.1718304 0.2880607), wk = 0.0033333 k( 166) = ( 0.3095238 0.1787037 0.2880607), wk = 0.0033333 k( 167) = ( 0.3214286 0.1855769 0.2880607), wk = 0.0033333 k( 168) = ( 0.3333333 0.1924501 0.2880607), wk = 0.0033333 k( 169) = ( 0.3452381 0.1993233 0.2880607), wk = 0.0033333 k( 170) = ( 0.3571429 0.2061965 0.2880607), wk = 0.0033333 k( 171) = ( 0.3690476 0.2130697 0.2880607), wk = 0.0033333 k( 172) = ( 0.3809524 0.2199430 0.2880607), wk = 0.0033333 k( 173) = ( 0.3928571 0.2268162 0.2880607), wk = 0.0033333 k( 174) = ( 0.4047619 0.2336894 0.2880607), wk = 0.0033333 k( 175) = ( 0.4166667 0.2405626 0.2880607), wk = 0.0033333 k( 176) = ( 0.4285714 0.2474358 0.2880607), wk = 0.0033333 k( 177) = ( 0.4404762 0.2543090 0.2880607), wk = 0.0033333 k( 178) = ( 0.4523810 0.2611823 0.2880607), wk = 0.0033333 k( 179) = ( 0.4642857 0.2680555 0.2880607), wk = 0.0033333 k( 180) = ( 0.4761905 0.2749287 0.2880607), wk = 0.0033333 k( 181) = ( 0.4880952 0.2818019 0.2880607), wk = 0.0033333 k( 182) = ( 0.5000000 0.2886751 0.2880607), wk = 0.0033333 k( 183) = ( 0.5000000 0.2886751 0.2880607), wk = 0.0033333 k( 184) = ( 0.4930556 0.3007033 0.2880607), wk = 0.0033333 k( 185) = ( 0.4861111 0.3127314 0.2880607), wk = 0.0033333 k( 186) = ( 0.4791667 0.3247595 0.2880607), wk = 0.0033333 k( 187) = ( 0.4722222 0.3367877 0.2880607), wk = 0.0033333 k( 188) = ( 0.4652778 0.3488158 0.2880607), wk = 0.0033333 k( 189) = ( 0.4583333 0.3608439 0.2880607), wk = 0.0033333 k( 190) = ( 0.4513889 0.3728720 0.2880607), wk = 0.0033333 k( 191) = ( 0.4444444 0.3849002 0.2880607), wk = 0.0033333 k( 192) = ( 0.4375000 0.3969283 0.2880607), wk = 0.0033333 k( 193) = ( 0.4305556 0.4089564 0.2880607), wk = 0.0033333 k( 194) = ( 0.4236111 0.4209846 0.2880607), wk = 0.0033333 k( 195) = ( 0.4166667 0.4330127 0.2880607), wk = 0.0033333 k( 196) = ( 0.4097222 0.4450408 0.2880607), wk = 0.0033333 k( 197) = ( 0.4027778 0.4570690 0.2880607), wk = 0.0033333 k( 198) = ( 0.3958333 0.4690971 0.2880607), wk = 0.0033333 k( 199) = ( 0.3888889 0.4811252 0.2880607), wk = 0.0033333 k( 200) = ( 0.3819444 0.4931534 0.2880607), wk = 0.0033333 k( 201) = ( 0.3750000 0.5051815 0.2880607), wk = 0.0033333 k( 202) = ( 0.3680556 0.5172096 0.2880607), wk = 0.0033333 k( 203) = ( 0.3611111 0.5292377 0.2880607), wk = 0.0033333 k( 204) = ( 0.3541667 0.5412659 0.2880607), wk = 0.0033333 k( 205) = ( 0.3472222 0.5532940 0.2880607), wk = 0.0033333 k( 206) = ( 0.3402778 0.5653221 0.2880607), wk = 0.0033333 k( 207) = ( 0.3333333 0.5773503 0.2880607), wk = 0.0033333 k( 208) = ( 0.3333333 0.5773503 0.2880607), wk = 0.0033333 k( 209) = ( 0.3263889 0.5653221 0.2880607), wk = 0.0033333 k( 210) = ( 0.3194444 0.5532940 0.2880607), wk = 0.0033333 k( 211) = ( 0.3125000 0.5412659 0.2880607), wk = 0.0033333 k( 212) = ( 0.3055556 0.5292378 0.2880607), wk = 0.0033333 k( 213) = ( 0.2986111 0.5172096 0.2880607), wk = 0.0033333 k( 214) = ( 0.2916667 0.5051815 0.2880607), wk = 0.0033333 k( 215) = ( 0.2847222 0.4931534 0.2880607), wk = 0.0033333 k( 216) = ( 0.2777778 0.4811252 0.2880607), wk = 0.0033333 k( 217) = ( 0.2708333 0.4690971 0.2880607), wk = 0.0033333 k( 218) = ( 0.2638889 0.4570690 0.2880607), wk = 0.0033333 k( 219) = ( 0.2569444 0.4450408 0.2880607), wk = 0.0033333 k( 220) = ( 0.2500000 0.4330127 0.2880607), wk = 0.0033333 k( 221) = ( 0.2430556 0.4209846 0.2880607), wk = 0.0033333 k( 222) = ( 0.2361111 0.4089564 0.2880607), wk = 0.0033333 k( 223) = ( 0.2291667 0.3969283 0.2880607), wk = 0.0033333 k( 224) = ( 0.2222222 0.3849002 0.2880607), wk = 0.0033333 k( 225) = ( 0.2152778 0.3728721 0.2880607), wk = 0.0033333 k( 226) = ( 0.2083333 0.3608439 0.2880607), wk = 0.0033333 k( 227) = ( 0.2013889 0.3488158 0.2880607), wk = 0.0033333 k( 228) = ( 0.1944444 0.3367876 0.2880607), wk = 0.0033333 k( 229) = ( 0.1875000 0.3247595 0.2880607), wk = 0.0033333 k( 230) = ( 0.1805556 0.3127314 0.2880607), wk = 0.0033333 k( 231) = ( 0.1736111 0.3007033 0.2880607), wk = 0.0033333 k( 232) = ( 0.1666667 0.2886751 0.2880607), wk = 0.0033333 k( 233) = ( 0.1597222 0.2766470 0.2880607), wk = 0.0033333 k( 234) = ( 0.1527778 0.2646189 0.2880607), wk = 0.0033333 k( 235) = ( 0.1458333 0.2525907 0.2880607), wk = 0.0033333 k( 236) = ( 0.1388889 0.2405626 0.2880607), wk = 0.0033333 k( 237) = ( 0.1319444 0.2285345 0.2880607), wk = 0.0033333 k( 238) = ( 0.1250000 0.2165064 0.2880607), wk = 0.0033333 k( 239) = ( 0.1180556 0.2044782 0.2880607), wk = 0.0033333 k( 240) = ( 0.1111111 0.1924501 0.2880607), wk = 0.0033333 k( 241) = ( 0.1041667 0.1804220 0.2880607), wk = 0.0033333 k( 242) = ( 0.0972222 0.1683938 0.2880607), wk = 0.0033333 k( 243) = ( 0.0902778 0.1563657 0.2880607), wk = 0.0033333 k( 244) = ( 0.0833333 0.1443376 0.2880607), wk = 0.0033333 k( 245) = ( 0.0763889 0.1323094 0.2880607), wk = 0.0033333 k( 246) = ( 0.0694444 0.1202813 0.2880607), wk = 0.0033333 k( 247) = ( 0.0625000 0.1082532 0.2880607), wk = 0.0033333 k( 248) = ( 0.0555556 0.0962251 0.2880607), wk = 0.0033333 k( 249) = ( 0.0486111 0.0841969 0.2880607), wk = 0.0033333 k( 250) = ( 0.0416667 0.0721688 0.2880607), wk = 0.0033333 k( 251) = ( 0.0347222 0.0601406 0.2880607), wk = 0.0033333 k( 252) = ( 0.0277778 0.0481125 0.2880607), wk = 0.0033333 k( 253) = ( 0.0208333 0.0360844 0.2880607), wk = 0.0033333 k( 254) = ( 0.0138889 0.0240563 0.2880607), wk = 0.0033333 k( 255) = ( 0.0069444 0.0120281 0.2880607), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.2880607), wk = 0.0033333 k( 257) = ( 0.5000000 0.2886751 0.2880607), wk = 0.0033333 k( 258) = ( 0.5000000 0.2886751 0.2743435), wk = 0.0033333 k( 259) = ( 0.5000000 0.2886751 0.2606263), wk = 0.0033333 k( 260) = ( 0.5000000 0.2886751 0.2469092), wk = 0.0033333 k( 261) = ( 0.5000000 0.2886751 0.2331920), wk = 0.0033333 k( 262) = ( 0.5000000 0.2886751 0.2194748), wk = 0.0033333 k( 263) = ( 0.5000000 0.2886751 0.2057576), wk = 0.0033333 k( 264) = ( 0.5000000 0.2886751 0.1920405), wk = 0.0033333 k( 265) = ( 0.5000000 0.2886751 0.1783233), wk = 0.0033333 k( 266) = ( 0.5000000 0.2886751 0.1646061), wk = 0.0033333 k( 267) = ( 0.5000000 0.2886751 0.1508889), wk = 0.0033333 k( 268) = ( 0.5000000 0.2886751 0.1371718), wk = 0.0033333 k( 269) = ( 0.5000000 0.2886751 0.1234546), wk = 0.0033333 k( 270) = ( 0.5000000 0.2886751 0.1097374), wk = 0.0033333 k( 271) = ( 0.5000000 0.2886751 0.0960202), wk = 0.0033333 k( 272) = ( 0.5000000 0.2886751 0.0823031), wk = 0.0033333 k( 273) = ( 0.5000000 0.2886751 0.0685859), wk = 0.0033333 k( 274) = ( 0.5000000 0.2886751 0.0548687), wk = 0.0033333 k( 275) = ( 0.5000000 0.2886751 0.0411515), wk = 0.0033333 k( 276) = ( 0.5000000 0.2886751 0.0274344), wk = 0.0033333 k( 277) = ( 0.5000000 0.2886751 0.0137172), wk = 0.0033333 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.5773503 0.0137172), wk = 0.0033333 k( 281) = ( 0.3333333 0.5773503 0.0274344), wk = 0.0033333 k( 282) = ( 0.3333333 0.5773503 0.0411515), wk = 0.0033333 k( 283) = ( 0.3333333 0.5773503 0.0548687), wk = 0.0033333 k( 284) = ( 0.3333333 0.5773503 0.0685859), wk = 0.0033333 k( 285) = ( 0.3333333 0.5773503 0.0823031), wk = 0.0033333 k( 286) = ( 0.3333333 0.5773503 0.0960202), wk = 0.0033333 k( 287) = ( 0.3333333 0.5773503 0.1097374), wk = 0.0033333 k( 288) = ( 0.3333333 0.5773503 0.1234546), wk = 0.0033333 k( 289) = ( 0.3333333 0.5773503 0.1371718), wk = 0.0033333 k( 290) = ( 0.3333333 0.5773503 0.1508889), wk = 0.0033333 k( 291) = ( 0.3333333 0.5773503 0.1646061), wk = 0.0033333 k( 292) = ( 0.3333333 0.5773503 0.1783233), wk = 0.0033333 k( 293) = ( 0.3333333 0.5773503 0.1920405), wk = 0.0033333 k( 294) = ( 0.3333333 0.5773503 0.2057576), wk = 0.0033333 k( 295) = ( 0.3333333 0.5773503 0.2194748), wk = 0.0033333 k( 296) = ( 0.3333333 0.5773503 0.2331920), wk = 0.0033333 k( 297) = ( 0.3333333 0.5773503 0.2469092), wk = 0.0033333 k( 298) = ( 0.3333333 0.5773503 0.2606263), wk = 0.0033333 k( 299) = ( 0.3333333 0.5773503 0.2743435), wk = 0.0033333 k( 300) = ( 0.3333333 0.5773503 0.2880607), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 -0.0000000 0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 141) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033333 k( 142) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033333 k( 143) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033333 k( 144) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033333 k( 145) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033333 k( 146) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033333 k( 147) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033333 k( 148) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033333 k( 149) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033333 k( 150) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033333 k( 151) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033333 k( 152) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033333 k( 153) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033333 k( 154) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033333 k( 155) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033333 k( 156) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033333 k( 157) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033333 k( 158) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033333 k( 159) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033333 k( 160) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033333 k( 161) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033333 k( 162) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033333 k( 163) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033333 k( 164) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033333 k( 165) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033333 k( 166) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033333 k( 167) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033333 k( 168) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033333 k( 169) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033333 k( 170) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033333 k( 171) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033333 k( 172) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033333 k( 173) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033333 k( 174) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033333 k( 175) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033333 k( 176) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033333 k( 177) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033333 k( 178) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033333 k( 179) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033333 k( 180) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033333 k( 181) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033333 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 184) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033333 k( 185) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033333 k( 186) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033333 k( 187) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033333 k( 188) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033333 k( 189) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033333 k( 190) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033333 k( 191) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033333 k( 192) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033333 k( 193) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033333 k( 194) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033333 k( 195) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033333 k( 196) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033333 k( 197) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033333 k( 198) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033333 k( 199) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033333 k( 200) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033333 k( 201) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033333 k( 202) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033333 k( 203) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033333 k( 204) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033333 k( 205) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033333 k( 206) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033333 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 209) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033333 k( 210) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033333 k( 211) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033333 k( 212) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033333 k( 213) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033333 k( 214) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033333 k( 215) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033333 k( 216) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033333 k( 217) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033333 k( 218) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033333 k( 219) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033333 k( 220) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033333 k( 221) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033333 k( 222) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033333 k( 223) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033333 k( 224) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033333 k( 225) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033333 k( 226) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033333 k( 227) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033333 k( 228) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033333 k( 229) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033333 k( 230) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033333 k( 231) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033333 k( 232) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033333 k( 233) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033333 k( 234) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033333 k( 235) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033333 k( 236) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033333 k( 237) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033333 k( 238) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033333 k( 239) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033333 k( 240) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033333 k( 241) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033333 k( 242) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033333 k( 243) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033333 k( 244) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033333 k( 245) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033333 k( 246) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033333 k( 247) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033333 k( 248) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033333 k( 249) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033333 k( 250) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033333 k( 251) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033333 k( 252) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033333 k( 253) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033333 k( 254) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033333 k( 255) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 258) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0033333 k( 259) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0033333 k( 260) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0033333 k( 261) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0033333 k( 262) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0033333 k( 263) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0033333 k( 264) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033333 k( 265) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0033333 k( 266) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0033333 k( 267) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0033333 k( 268) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0033333 k( 269) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0033333 k( 270) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0033333 k( 271) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033333 k( 272) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0033333 k( 273) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0033333 k( 274) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0033333 k( 275) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0033333 k( 276) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0033333 k( 277) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0033333 k( 278) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0033333 k( 281) = ( 0.3333333 0.3333333 0.0476190), wk = 0.0033333 k( 282) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033333 k( 283) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0033333 k( 284) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0033333 k( 285) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033333 k( 286) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033333 k( 287) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0033333 k( 288) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033333 k( 289) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0033333 k( 290) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0033333 k( 291) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033333 k( 292) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0033333 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033333 k( 294) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033333 k( 295) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0033333 k( 296) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0033333 k( 297) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033333 k( 298) = ( 0.3333333 0.3333333 0.4523809), wk = 0.0033333 k( 299) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0033333 k( 300) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 Dense grid: 108377 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 51701 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 364, 48) NL pseudopotentials 0.36 Mb ( 182, 131) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3012) G-vector shells 0.01 Mb ( 1364) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 364, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 131, 2, 48) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./BaxMgPx2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.5 secs Computing kpt #: 16 total cpu time spent up to now is 13.0 secs Computing kpt #: 17 total cpu time spent up to now is 13.6 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.6 secs Computing kpt #: 23 total cpu time spent up to now is 17.2 secs Computing kpt #: 24 total cpu time spent up to now is 18.0 secs Computing kpt #: 25 total cpu time spent up to now is 18.6 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.9 secs Computing kpt #: 28 total cpu time spent up to now is 20.4 secs Computing kpt #: 29 total cpu time spent up to now is 20.9 secs Computing kpt #: 30 total cpu time spent up to now is 21.4 secs Computing kpt #: 31 total cpu time spent up to now is 21.9 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.8 secs Computing kpt #: 34 total cpu time spent up to now is 23.2 secs Computing kpt #: 35 total cpu time spent up to now is 23.6 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.4 secs Computing kpt #: 38 total cpu time spent up to now is 24.8 secs Computing kpt #: 39 total cpu time spent up to now is 25.2 secs Computing kpt #: 40 total cpu time spent up to now is 25.6 secs Computing kpt #: 41 total cpu time spent up to now is 26.0 secs Computing kpt #: 42 total cpu time spent up to now is 26.4 secs Computing kpt #: 43 total cpu time spent up to now is 26.9 secs Computing kpt #: 44 total cpu time spent up to now is 27.3 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.9 secs Computing kpt #: 49 total cpu time spent up to now is 29.3 secs Computing kpt #: 50 total cpu time spent up to now is 29.7 secs Computing kpt #: 51 total cpu time spent up to now is 30.1 secs Computing kpt #: 52 total cpu time spent up to now is 30.6 secs Computing kpt #: 53 total cpu time spent up to now is 31.2 secs Computing kpt #: 54 total cpu time spent up to now is 31.7 secs Computing kpt #: 55 total cpu time spent up to now is 32.2 secs Computing kpt #: 56 total cpu time spent up to now is 32.7 secs Computing kpt #: 57 total cpu time spent up to now is 33.2 secs Computing kpt #: 58 total cpu time spent up to now is 33.7 secs Computing kpt #: 59 total cpu time spent up to now is 34.3 secs Computing kpt #: 60 total cpu time spent up to now is 34.8 secs Computing kpt #: 61 total cpu time spent up to now is 35.3 secs Computing kpt #: 62 total cpu time spent up to now is 35.8 secs Computing kpt #: 63 total cpu time spent up to now is 36.4 secs Computing kpt #: 64 total cpu time spent up to now is 36.9 secs Computing kpt #: 65 total cpu time spent up to now is 37.4 secs Computing kpt #: 66 total cpu time spent up to now is 37.9 secs Computing kpt #: 67 total cpu time spent up to now is 38.4 secs Computing kpt #: 68 total cpu time spent up to now is 38.9 secs Computing kpt #: 69 total cpu time spent up to now is 39.4 secs Computing kpt #: 70 total cpu time spent up to now is 39.9 secs Computing kpt #: 71 total cpu time spent up to now is 40.4 secs Computing kpt #: 72 total cpu time spent up to now is 40.9 secs Computing kpt #: 73 total cpu time spent up to now is 41.5 secs Computing kpt #: 74 total cpu time spent up to now is 42.0 secs Computing kpt #: 75 total cpu time spent up to now is 42.5 secs Computing kpt #: 76 total cpu time spent up to now is 43.0 secs Computing kpt #: 77 total cpu time spent up to now is 43.5 secs Computing kpt #: 78 total cpu time spent up to now is 44.1 secs Computing kpt #: 79 total cpu time spent up to now is 44.6 secs Computing kpt #: 80 total cpu time spent up to now is 45.1 secs Computing kpt #: 81 total cpu time spent up to now is 45.7 secs Computing kpt #: 82 total cpu time spent up to now is 46.2 secs Computing kpt #: 83 total cpu time spent up to now is 46.8 secs Computing kpt #: 84 total cpu time spent up to now is 47.3 secs Computing kpt #: 85 total cpu time spent up to now is 47.9 secs Computing kpt #: 86 total cpu time spent up to now is 48.4 secs Computing kpt #: 87 total cpu time spent up to now is 48.9 secs Computing kpt #: 88 total cpu time spent up to now is 49.4 secs Computing kpt #: 89 total cpu time spent up to now is 49.9 secs Computing kpt #: 90 total cpu time spent up to now is 50.4 secs Computing kpt #: 91 total cpu time spent up to now is 50.9 secs Computing kpt #: 92 total cpu time spent up to now is 51.5 secs Computing kpt #: 93 total cpu time spent up to now is 52.0 secs Computing kpt #: 94 total cpu time spent up to now is 52.5 secs Computing kpt #: 95 total cpu time spent up to now is 53.0 secs Computing kpt #: 96 total cpu time spent up to now is 53.6 secs Computing kpt #: 97 total cpu time spent up to now is 54.2 secs Computing kpt #: 98 total cpu time spent up to now is 54.8 secs Computing kpt #: 99 total cpu time spent up to now is 55.4 secs Computing kpt #: 100 total cpu time spent up to now is 56.0 secs Computing kpt #: 101 total cpu time spent up to now is 56.6 secs Computing kpt #: 102 total cpu time spent up to now is 57.2 secs Computing kpt #: 103 total cpu time spent up to now is 57.7 secs Computing kpt #: 104 total cpu time spent up to now is 58.3 secs Computing kpt #: 105 total cpu time spent up to now is 58.8 secs Computing kpt #: 106 total cpu time spent up to now is 59.6 secs Computing kpt #: 107 total cpu time spent up to now is 60.3 secs Computing kpt #: 108 total cpu time spent up to now is 60.9 secs Computing kpt #: 109 total cpu time spent up to now is 61.4 secs Computing kpt #: 110 total cpu time spent up to now is 62.0 secs Computing kpt #: 111 total cpu time spent up to now is 62.5 secs Computing kpt #: 112 total cpu time spent up to now is 63.1 secs Computing kpt #: 113 total cpu time spent up to now is 63.8 secs Computing kpt #: 114 total cpu time spent up to now is 64.5 secs Computing kpt #: 115 total cpu time spent up to now is 65.2 secs Computing kpt #: 116 total cpu time spent up to now is 66.0 secs Computing kpt #: 117 total cpu time spent up to now is 66.7 secs Computing kpt #: 118 total cpu time spent up to now is 67.4 secs Computing kpt #: 119 total cpu time spent up to now is 68.2 secs Computing kpt #: 120 total cpu time spent up to now is 69.1 secs Computing kpt #: 121 total cpu time spent up to now is 69.8 secs Computing kpt #: 122 total cpu time spent up to now is 70.7 secs Computing kpt #: 123 total cpu time spent up to now is 71.6 secs Computing kpt #: 124 total cpu time spent up to now is 72.4 secs Computing kpt #: 125 total cpu time spent up to now is 73.1 secs Computing kpt #: 126 total cpu time spent up to now is 73.9 secs Computing kpt #: 127 total cpu time spent up to now is 74.6 secs Computing kpt #: 128 total cpu time spent up to now is 75.3 secs Computing kpt #: 129 total cpu time spent up to now is 76.1 secs Computing kpt #: 130 total cpu time spent up to now is 76.8 secs Computing kpt #: 131 total cpu time spent up to now is 77.7 secs Computing kpt #: 132 total cpu time spent up to now is 78.5 secs Computing kpt #: 133 total cpu time spent up to now is 79.1 secs Computing kpt #: 134 total cpu time spent up to now is 79.7 secs Computing kpt #: 135 total cpu time spent up to now is 80.2 secs Computing kpt #: 136 total cpu time spent up to now is 80.7 secs Computing kpt #: 137 total cpu time spent up to now is 81.2 secs Computing kpt #: 138 total cpu time spent up to now is 81.7 secs Computing kpt #: 139 total cpu time spent up to now is 82.3 secs Computing kpt #: 140 total cpu time spent up to now is 82.8 secs Computing kpt #: 141 total cpu time spent up to now is 83.3 secs Computing kpt #: 142 total cpu time spent up to now is 83.8 secs Computing kpt #: 143 total cpu time spent up to now is 84.2 secs Computing kpt #: 144 total cpu time spent up to now is 84.6 secs Computing kpt #: 145 total cpu time spent up to now is 85.1 secs Computing kpt #: 146 total cpu time spent up to now is 85.6 secs Computing kpt #: 147 total cpu time spent up to now is 86.1 secs Computing kpt #: 148 total cpu time spent up to now is 86.7 secs Computing kpt #: 149 total cpu time spent up to now is 87.2 secs Computing kpt #: 150 total cpu time spent up to now is 87.7 secs Computing kpt #: 151 total cpu time spent up to now is 88.2 secs Computing kpt #: 152 total cpu time spent up to now is 88.7 secs Computing kpt #: 153 total cpu time spent up to now is 89.4 secs Computing kpt #: 154 total cpu time spent up to now is 90.1 secs Computing kpt #: 155 total cpu time spent up to now is 90.9 secs Computing kpt #: 156 total cpu time spent up to now is 91.4 secs Computing kpt #: 157 total cpu time spent up to now is 91.9 secs Computing kpt #: 158 total cpu time spent up to now is 92.4 secs Computing kpt #: 159 total cpu time spent up to now is 92.9 secs Computing kpt #: 160 total cpu time spent up to now is 93.3 secs Computing kpt #: 161 total cpu time spent up to now is 93.8 secs Computing kpt #: 162 total cpu time spent up to now is 94.2 secs Computing kpt #: 163 total cpu time spent up to now is 94.6 secs Computing kpt #: 164 total cpu time spent up to now is 95.0 secs Computing kpt #: 165 total cpu time spent up to now is 95.4 secs Computing kpt #: 166 total cpu time spent up to now is 95.8 secs Computing kpt #: 167 total cpu time spent up to now is 96.2 secs Computing kpt #: 168 total cpu time spent up to now is 96.6 secs Computing kpt #: 169 total cpu time spent up to now is 97.0 secs Computing kpt #: 170 total cpu time spent up to now is 97.4 secs Computing kpt #: 171 total cpu time spent up to now is 97.7 secs Computing kpt #: 172 total cpu time spent up to now is 98.1 secs Computing kpt #: 173 total cpu time spent up to now is 98.5 secs Computing kpt #: 174 total cpu time spent up to now is 98.9 secs Computing kpt #: 175 total cpu time spent up to now is 99.3 secs Computing kpt #: 176 total cpu time spent up to now is 99.8 secs Computing kpt #: 177 total cpu time spent up to now is 100.2 secs Computing kpt #: 178 total cpu time spent up to now is 100.7 secs Computing kpt #: 179 total cpu time spent up to now is 101.3 secs Computing kpt #: 180 total cpu time spent up to now is 101.8 secs Computing kpt #: 181 total cpu time spent up to now is 102.3 secs Computing kpt #: 182 total cpu time spent up to now is 103.0 secs Computing kpt #: 183 total cpu time spent up to now is 103.5 secs Computing kpt #: 184 total cpu time spent up to now is 104.1 secs Computing kpt #: 185 total cpu time spent up to now is 104.6 secs Computing kpt #: 186 total cpu time spent up to now is 105.1 secs Computing kpt #: 187 total cpu time spent up to now is 105.6 secs Computing kpt #: 188 total cpu time spent up to now is 106.1 secs Computing kpt #: 189 total cpu time spent up to now is 106.5 secs Computing kpt #: 190 total cpu time spent up to now is 107.0 secs Computing kpt #: 191 total cpu time spent up to now is 107.5 secs Computing kpt #: 192 total cpu time spent up to now is 108.0 secs Computing kpt #: 193 total cpu time spent up to now is 108.4 secs Computing kpt #: 194 total cpu time spent up to now is 108.8 secs Computing kpt #: 195 total cpu time spent up to now is 109.2 secs Computing kpt #: 196 total cpu time spent up to now is 109.6 secs Computing kpt #: 197 total cpu time spent up to now is 110.1 secs Computing kpt #: 198 total cpu time spent up to now is 110.5 secs Computing kpt #: 199 total cpu time spent up to now is 111.0 secs Computing kpt #: 200 total cpu time spent up to now is 111.4 secs Computing kpt #: 201 total cpu time spent up to now is 111.9 secs Computing kpt #: 202 total cpu time spent up to now is 112.4 secs Computing kpt #: 203 total cpu time spent up to now is 112.9 secs Computing kpt #: 204 total cpu time spent up to now is 113.4 secs Computing kpt #: 205 total cpu time spent up to now is 113.9 secs Computing kpt #: 206 total cpu time spent up to now is 114.4 secs Computing kpt #: 207 total cpu time spent up to now is 114.9 secs Computing kpt #: 208 total cpu time spent up to now is 115.4 secs Computing kpt #: 209 total cpu time spent up to now is 115.9 secs Computing kpt #: 210 total cpu time spent up to now is 116.3 secs Computing kpt #: 211 total cpu time spent up to now is 116.8 secs Computing kpt #: 212 total cpu time spent up to now is 117.3 secs Computing kpt #: 213 total cpu time spent up to now is 117.8 secs Computing kpt #: 214 total cpu time spent up to now is 118.3 secs Computing kpt #: 215 total cpu time spent up to now is 118.8 secs Computing kpt #: 216 total cpu time spent up to now is 119.3 secs Computing kpt #: 217 total cpu time spent up to now is 119.8 secs Computing kpt #: 218 total cpu time spent up to now is 120.3 secs Computing kpt #: 219 total cpu time spent up to now is 120.9 secs Computing kpt #: 220 total cpu time spent up to now is 121.4 secs Computing kpt #: 221 total cpu time spent up to now is 121.9 secs Computing kpt #: 222 total cpu time spent up to now is 122.4 secs Computing kpt #: 223 total cpu time spent up to now is 122.9 secs Computing kpt #: 224 total cpu time spent up to now is 123.4 secs Computing kpt #: 225 total cpu time spent up to now is 123.9 secs Computing kpt #: 226 total cpu time spent up to now is 124.5 secs Computing kpt #: 227 total cpu time spent up to now is 125.0 secs Computing kpt #: 228 total cpu time spent up to now is 125.6 secs Computing kpt #: 229 total cpu time spent up to now is 126.1 secs Computing kpt #: 230 total cpu time spent up to now is 126.7 secs Computing kpt #: 231 total cpu time spent up to now is 127.3 secs Computing kpt #: 232 total cpu time spent up to now is 127.8 secs Computing kpt #: 233 total cpu time spent up to now is 128.4 secs Computing kpt #: 234 total cpu time spent up to now is 129.0 secs Computing kpt #: 235 total cpu time spent up to now is 129.5 secs Computing kpt #: 236 total cpu time spent up to now is 130.1 secs Computing kpt #: 237 total cpu time spent up to now is 130.6 secs Computing kpt #: 238 total cpu time spent up to now is 131.1 secs Computing kpt #: 239 total cpu time spent up to now is 131.6 secs Computing kpt #: 240 total cpu time spent up to now is 132.1 secs Computing kpt #: 241 total cpu time spent up to now is 132.6 secs Computing kpt #: 242 total cpu time spent up to now is 133.1 secs Computing kpt #: 243 total cpu time spent up to now is 133.7 secs Computing kpt #: 244 total cpu time spent up to now is 134.2 secs Computing kpt #: 245 total cpu time spent up to now is 134.7 secs Computing kpt #: 246 total cpu time spent up to now is 135.2 secs Computing kpt #: 247 total cpu time spent up to now is 135.7 secs Computing kpt #: 248 total cpu time spent up to now is 136.1 secs Computing kpt #: 249 total cpu time spent up to now is 136.6 secs Computing kpt #: 250 total cpu time spent up to now is 137.1 secs Computing kpt #: 251 total cpu time spent up to now is 137.6 secs Computing kpt #: 252 total cpu time spent up to now is 138.0 secs Computing kpt #: 253 total cpu time spent up to now is 138.5 secs Computing kpt #: 254 total cpu time spent up to now is 138.9 secs Computing kpt #: 255 total cpu time spent up to now is 139.4 secs Computing kpt #: 256 total cpu time spent up to now is 139.9 secs Computing kpt #: 257 total cpu time spent up to now is 140.5 secs Computing kpt #: 258 total cpu time spent up to now is 141.1 secs Computing kpt #: 259 total cpu time spent up to now is 141.7 secs Computing kpt #: 260 total cpu time spent up to now is 142.3 secs Computing kpt #: 261 total cpu time spent up to now is 143.0 secs Computing kpt #: 262 total cpu time spent up to now is 143.6 secs Computing kpt #: 263 total cpu time spent up to now is 144.0 secs Computing kpt #: 264 total cpu time spent up to now is 144.5 secs Computing kpt #: 265 total cpu time spent up to now is 144.9 secs Computing kpt #: 266 total cpu time spent up to now is 145.3 secs Computing kpt #: 267 total cpu time spent up to now is 145.7 secs Computing kpt #: 268 total cpu time spent up to now is 146.1 secs Computing kpt #: 269 total cpu time spent up to now is 146.5 secs Computing kpt #: 270 total cpu time spent up to now is 146.9 secs Computing kpt #: 271 total cpu time spent up to now is 147.3 secs Computing kpt #: 272 total cpu time spent up to now is 147.6 secs Computing kpt #: 273 total cpu time spent up to now is 148.0 secs Computing kpt #: 274 total cpu time spent up to now is 148.4 secs Computing kpt #: 275 total cpu time spent up to now is 148.8 secs Computing kpt #: 276 total cpu time spent up to now is 149.2 secs Computing kpt #: 277 total cpu time spent up to now is 149.6 secs Computing kpt #: 278 total cpu time spent up to now is 150.0 secs Computing kpt #: 279 total cpu time spent up to now is 150.5 secs Computing kpt #: 280 total cpu time spent up to now is 151.0 secs Computing kpt #: 281 total cpu time spent up to now is 151.5 secs Computing kpt #: 282 total cpu time spent up to now is 152.0 secs Computing kpt #: 283 total cpu time spent up to now is 152.5 secs Computing kpt #: 284 total cpu time spent up to now is 153.1 secs Computing kpt #: 285 total cpu time spent up to now is 153.6 secs Computing kpt #: 286 total cpu time spent up to now is 154.2 secs Computing kpt #: 287 total cpu time spent up to now is 155.1 secs Computing kpt #: 288 total cpu time spent up to now is 155.8 secs Computing kpt #: 289 total cpu time spent up to now is 156.7 secs Computing kpt #: 290 total cpu time spent up to now is 157.3 secs Computing kpt #: 291 total cpu time spent up to now is 157.9 secs Computing kpt #: 292 total cpu time spent up to now is 158.4 secs Computing kpt #: 293 total cpu time spent up to now is 159.0 secs Computing kpt #: 294 total cpu time spent up to now is 159.5 secs Computing kpt #: 295 total cpu time spent up to now is 160.0 secs Computing kpt #: 296 total cpu time spent up to now is 160.5 secs Computing kpt #: 297 total cpu time spent up to now is 161.0 secs Computing kpt #: 298 total cpu time spent up to now is 161.5 secs Computing kpt #: 299 total cpu time spent up to now is 162.0 secs Computing kpt #: 300 total cpu time spent up to now is 162.5 secs ethr = 2.50E-08, avg # of iterations = 27.8 total cpu time spent up to now is 162.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4160 -7.4160 -5.6096 -5.6096 -5.2391 -5.2391 -3.3786 -3.3786 -2.0973 -2.0973 2.9341 2.9341 5.3408 5.3408 5.3646 5.3646 6.1054 6.1054 6.1885 6.1885 6.1986 6.1986 8.1041 8.1041 8.8633 8.8633 8.9121 8.9121 9.6455 9.6455 k = 0.0119 0.0069-0.0000 ( 6439 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4162 -7.4162 -5.6096 -5.6096 -5.2398 -5.2398 -3.3773 -3.3773 -2.0975 -2.0975 2.9357 2.9357 5.3384 5.3384 5.3624 5.3624 6.1019 6.1019 6.1834 6.1834 6.1939 6.1939 8.1086 8.1086 8.8652 8.8652 8.9182 8.9182 9.6471 9.6471 k = 0.0238 0.0137-0.0000 ( 6425 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7747 -20.7747 -7.4166 -7.4166 -5.6097 -5.6097 -5.2421 -5.2421 -3.3735 -3.3735 -2.0982 -2.0982 2.9404 2.9404 5.3294 5.3294 5.3575 5.3575 6.0896 6.0896 6.1641 6.1641 6.1862 6.1862 8.1218 8.1218 8.8707 8.8707 8.9361 8.9361 9.6518 9.6518 k = 0.0357 0.0206-0.0000 ( 6419 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6839 -35.6839 -35.4081 -35.4081 -35.4003 -35.4003 -35.3994 -35.3994 -35.3921 -35.3921 -20.7744 -20.7744 -7.4172 -7.4172 -5.6098 -5.6098 -5.2458 -5.2458 -3.3672 -3.3672 -2.0993 -2.0993 2.9482 2.9482 5.3114 5.3114 5.3528 5.3528 6.0626 6.0626 6.1368 6.1368 6.1768 6.1768 8.1423 8.1423 8.8787 8.8787 8.9656 8.9656 9.6594 9.6594 k = 0.0476 0.0275-0.0000 ( 6443 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4005 -35.4005 -35.3993 -35.3993 -35.3921 -35.3921 -20.7740 -20.7740 -7.4182 -7.4182 -5.6099 -5.6099 -5.2510 -5.2510 -3.3583 -3.3583 -2.1008 -2.1008 2.9591 2.9591 5.2843 5.2843 5.3486 5.3486 6.0142 6.0142 6.1121 6.1121 6.1643 6.1643 8.1684 8.1684 8.8871 8.8871 9.0069 9.0069 9.6697 9.6697 k = 0.0595 0.0344-0.0000 ( 6459 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4006 -35.4006 -35.3992 -35.3992 -35.3922 -35.3922 -20.7735 -20.7735 -7.4194 -7.4194 -5.6101 -5.6101 -5.2574 -5.2574 -3.3471 -3.3471 -2.1028 -2.1028 2.9730 2.9730 5.2493 5.2493 5.3444 5.3444 5.9466 5.9466 6.0906 6.0906 6.1486 6.1486 8.1984 8.1984 8.8931 8.8931 9.0600 9.0600 9.6829 9.6829 k = 0.0714 0.0412-0.0000 ( 6459 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4008 -35.4008 -35.3990 -35.3990 -35.3922 -35.3922 -20.7729 -20.7729 -7.4209 -7.4209 -5.6103 -5.6103 -5.2651 -5.2651 -3.3336 -3.3336 -2.1053 -2.1053 2.9898 2.9898 5.2073 5.2073 5.3398 5.3398 5.8659 5.8659 6.0690 6.0690 6.1300 6.1300 8.2308 8.2308 8.8942 8.8942 9.1243 9.1243 9.6997 9.6997 k = 0.0833 0.0481-0.0000 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4009 -35.4009 -35.3989 -35.3989 -35.3922 -35.3922 -20.7721 -20.7721 -7.4226 -7.4226 -5.6106 -5.6106 -5.2738 -5.2738 -3.3178 -3.3178 -2.1081 -2.1081 3.0093 3.0093 5.1590 5.1590 5.3347 5.3347 5.7761 5.7761 6.0458 6.0458 6.1086 6.1086 8.2645 8.2645 8.8884 8.8884 9.1990 9.1990 9.7208 9.7208 k = 0.0952 0.0550-0.0000 ( 6457 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4010 -35.4010 -35.3988 -35.3988 -35.3922 -35.3922 -20.7713 -20.7713 -7.4246 -7.4246 -5.6110 -5.6110 -5.2836 -5.2836 -3.2999 -3.2999 -2.1113 -2.1113 3.0314 3.0314 5.1050 5.1050 5.3289 5.3289 5.6804 5.6804 6.0205 6.0205 6.0846 6.0846 8.2984 8.2984 8.8750 8.8750 9.2825 9.2825 9.7466 9.7466 k = 0.1071 0.0619-0.0000 ( 6451 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4011 -35.4011 -35.3986 -35.3986 -35.3922 -35.3922 -20.7704 -20.7704 -7.4269 -7.4269 -5.6116 -5.6116 -5.2941 -5.2941 -3.2799 -3.2799 -2.1150 -2.1150 3.0560 3.0560 5.0458 5.0458 5.3225 5.3225 5.5812 5.5812 5.9930 5.9930 6.0583 6.0583 8.3316 8.3316 8.8547 8.8547 9.3730 9.3730 9.7766 9.7766 k = 0.1190 0.0687-0.0000 ( 6451 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4013 -35.4013 -35.3985 -35.3985 -35.3922 -35.3922 -20.7694 -20.7694 -7.4295 -7.4295 -5.6123 -5.6123 -5.3052 -5.3052 -3.2581 -3.2581 -2.1190 -2.1190 3.0829 3.0829 4.9815 4.9815 5.3155 5.3155 5.4805 5.4805 5.9635 5.9635 6.0300 6.0300 8.3625 8.3625 8.8296 8.8296 9.4682 9.4682 9.8093 9.8093 k = 0.1310 0.0756-0.0000 ( 6451 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4080 -35.4080 -35.4014 -35.4014 -35.3984 -35.3984 -35.3923 -35.3923 -20.7682 -20.7682 -7.4324 -7.4324 -5.6132 -5.6132 -5.3168 -5.3168 -3.2345 -3.2345 -2.1234 -2.1234 3.1118 3.1118 4.9122 4.9122 5.3077 5.3077 5.3804 5.3804 5.9320 5.9320 6.0001 6.0001 8.3886 8.3886 8.8035 8.8035 9.5656 9.5656 9.8432 9.8432 k = 0.1429 0.0825-0.0000 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6844 -35.6844 -35.4079 -35.4079 -35.4016 -35.4016 -35.3983 -35.3983 -35.3923 -35.3923 -20.7671 -20.7671 -7.4355 -7.4355 -5.6144 -5.6144 -5.3286 -5.3286 -3.2093 -3.2093 -2.1282 -2.1282 3.1425 3.1425 4.8379 4.8379 5.2811 5.2811 5.3010 5.3010 5.8987 5.8987 5.9688 5.9688 8.4056 8.4056 8.7820 8.7820 9.6624 9.6624 9.8784 9.8784 k = 0.1548 0.0894-0.0000 ( 6461 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6844 -35.6844 -35.4079 -35.4079 -35.4017 -35.4017 -35.3982 -35.3982 -35.3924 -35.3924 -20.7658 -20.7658 -7.4388 -7.4388 -5.6159 -5.6159 -5.3406 -5.3406 -3.1825 -3.1825 -2.1332 -2.1332 3.1746 3.1746 4.7584 4.7584 5.1882 5.1882 5.2913 5.2913 5.8639 5.8639 5.9363 5.9363 8.4085 8.4085 8.7721 8.7721 9.7562 9.7562 9.9152 9.9152 k = 0.1667 0.0962-0.0000 ( 6453 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6845 -35.6845 -35.4079 -35.4079 -35.4018 -35.4018 -35.3980 -35.3980 -35.3924 -35.3924 -20.7645 -20.7645 -7.4424 -7.4424 -5.6178 -5.6178 -5.3524 -5.3524 -3.1544 -3.1544 -2.1386 -2.1386 3.2078 3.2078 4.6738 4.6738 5.0998 5.0998 5.2820 5.2820 5.8278 5.8278 5.9030 5.9030 8.3933 8.3933 8.7787 8.7787 9.8452 9.8452 9.9546 9.9546 k = 0.1786 0.1031-0.0000 ( 6463 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6846 -35.6846 -35.4078 -35.4078 -35.4019 -35.4019 -35.3979 -35.3979 -35.3924 -35.3924 -20.7631 -20.7631 -7.4463 -7.4463 -5.6201 -5.6201 -5.3638 -5.3638 -3.1251 -3.1251 -2.1443 -2.1443 3.2418 3.2418 4.5843 4.5843 5.0177 5.0177 5.2723 5.2723 5.7905 5.7905 5.8692 5.8692 8.3611 8.3611 8.8022 8.8022 9.9285 9.9285 9.9977 9.9977 k = 0.1905 0.1100-0.0000 ( 6455 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6847 -35.6847 -35.4078 -35.4078 -35.4021 -35.4021 -35.3978 -35.3978 -35.3925 -35.3925 -20.7617 -20.7617 -7.4504 -7.4504 -5.6229 -5.6229 -5.3748 -5.3748 -3.0946 -3.0946 -2.1502 -2.1502 3.2760 3.2760 4.4908 4.4908 4.9424 4.9424 5.2622 5.2622 5.7524 5.7524 5.8350 5.8350 8.3162 8.3162 8.8391 8.8391 10.0044 10.0044 10.0470 10.0470 k = 0.2024 0.1168-0.0000 ( 6455 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6914 -35.6914 -35.6847 -35.6847 -35.4077 -35.4077 -35.4022 -35.4022 -35.3977 -35.3977 -35.3925 -35.3925 -20.7602 -20.7602 -7.4547 -7.4547 -5.6264 -5.6264 -5.3851 -5.3851 -3.0632 -3.0632 -2.1564 -2.1564 3.3099 3.3099 4.3941 4.3941 4.8741 4.8741 5.2518 5.2518 5.7135 5.7135 5.8007 5.8007 8.2634 8.2634 8.8855 8.8855 10.0694 10.0694 10.1072 10.1072 k = 0.2143 0.1237-0.0000 ( 6455 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6913 -35.6913 -35.6848 -35.6848 -35.4077 -35.4077 -35.4023 -35.4023 -35.3976 -35.3976 -35.3926 -35.3926 -20.7587 -20.7587 -7.4592 -7.4592 -5.6305 -5.6305 -5.3946 -5.3946 -3.0310 -3.0310 -2.1628 -2.1628 3.3428 3.3428 4.2957 4.2957 4.8127 4.8127 5.2412 5.2412 5.6742 5.6742 5.7665 5.7665 8.2059 8.2059 8.9386 8.9386 10.1264 10.1264 10.1760 10.1760 k = 0.2262 0.1306-0.0000 ( 6459 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6913 -35.6913 -35.6849 -35.6849 -35.4077 -35.4077 -35.4024 -35.4024 -35.3975 -35.3975 -35.3926 -35.3926 -20.7571 -20.7571 -7.4639 -7.4639 -5.6353 -5.6353 -5.4030 -5.4030 -2.9981 -2.9981 -2.1694 -2.1694 3.3739 3.3739 4.1968 4.1968 4.7579 4.7579 5.2304 5.2304 5.6346 5.6346 5.7326 5.7326 8.1461 8.1461 8.9965 8.9965 10.1827 10.1827 10.2464 10.2464 k = 0.2381 0.1375-0.0000 ( 6461 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6850 -35.6850 -35.4076 -35.4076 -35.4026 -35.4026 -35.3974 -35.3974 -35.3927 -35.3927 -20.7556 -20.7556 -7.4687 -7.4687 -5.6408 -5.6408 -5.4105 -5.4105 -2.9646 -2.9646 -2.1762 -2.1762 3.4023 3.4023 4.0989 4.0989 4.7098 4.7098 5.2194 5.2194 5.5949 5.5949 5.6991 5.6991 8.0854 8.0854 9.0579 9.0579 10.2411 10.2411 10.3154 10.3154 k = 0.2500 0.1443-0.0000 ( 6459 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6911 -35.6911 -35.6851 -35.6851 -35.4076 -35.4076 -35.4027 -35.4027 -35.3973 -35.3973 -35.3927 -35.3927 -20.7540 -20.7540 -7.4737 -7.4737 -5.6470 -5.6470 -5.4167 -5.4167 -2.9308 -2.9308 -2.1831 -2.1831 3.4263 3.4263 4.0037 4.0037 4.6683 4.6683 5.2084 5.2084 5.5553 5.5553 5.6661 5.6661 8.0248 8.0248 9.1219 9.1219 10.3020 10.3020 10.3814 10.3814 k = 0.2619 0.1512-0.0000 ( 6467 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6910 -35.6910 -35.6852 -35.6852 -35.4076 -35.4076 -35.4028 -35.4028 -35.3972 -35.3972 -35.3928 -35.3928 -20.7524 -20.7524 -7.4788 -7.4788 -5.6539 -5.6539 -5.4219 -5.4219 -2.8967 -2.8967 -2.1900 -2.1900 3.4442 3.4442 3.9133 3.9133 4.6337 4.6337 5.1974 5.1974 5.5161 5.5161 5.6339 5.6339 7.9651 7.9651 9.1875 9.1875 10.3649 10.3649 10.4422 10.4422 k = 0.2738 0.1581-0.0000 ( 6480 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6910 -35.6910 -35.6853 -35.6853 -35.4075 -35.4075 -35.4029 -35.4029 -35.3972 -35.3972 -35.3928 -35.3928 -20.7509 -20.7509 -7.4840 -7.4840 -5.6613 -5.6613 -5.4260 -5.4260 -2.8626 -2.8626 -2.1971 -2.1971 3.4526 3.4526 3.8309 3.8309 4.6060 4.6060 5.1865 5.1865 5.4773 5.4773 5.6025 5.6025 7.9069 7.9069 9.2542 9.2542 10.4272 10.4272 10.4915 10.4915 k = 0.2857 0.1650-0.0000 ( 6478 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6909 -35.6909 -35.6854 -35.6854 -35.4075 -35.4075 -35.4030 -35.4030 -35.3971 -35.3971 -35.3929 -35.3929 -20.7493 -20.7493 -7.4892 -7.4892 -5.6692 -5.6692 -5.4290 -5.4290 -2.8285 -2.8285 -2.2042 -2.2042 3.4467 3.4467 3.7612 3.7612 4.5853 4.5853 5.1757 5.1757 5.4392 5.4392 5.5721 5.5721 7.8504 7.8504 9.3210 9.3210 10.4739 10.4739 10.5273 10.5274 k = 0.2976 0.1718-0.0000 ( 6474 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6908 -35.6908 -35.6856 -35.6856 -35.4074 -35.4074 -35.4031 -35.4031 -35.3970 -35.3970 -35.3929 -35.3929 -20.7478 -20.7478 -7.4944 -7.4944 -5.6774 -5.6774 -5.4311 -5.4311 -2.7947 -2.7947 -2.2112 -2.2112 3.4214 3.4214 3.7097 3.7097 4.5718 4.5718 5.1652 5.1652 5.4020 5.4020 5.5427 5.5427 7.7962 7.7962 9.3871 9.3871 10.4879 10.4879 10.5762 10.5762 k = 0.3095 0.1787-0.0000 ( 6474 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6907 -35.6907 -35.6857 -35.6857 -35.4074 -35.4074 -35.4032 -35.4032 -35.3969 -35.3969 -35.3930 -35.3930 -20.7463 -20.7463 -7.4995 -7.4995 -5.6858 -5.6858 -5.4324 -5.4324 -2.7613 -2.7613 -2.2183 -2.2183 3.3758 3.3758 3.6773 3.6773 4.5652 4.5652 5.1549 5.1549 5.3658 5.3658 5.5145 5.5145 7.7443 7.7443 9.4518 9.4518 10.4889 10.4889 10.6076 10.6076 k = 0.3214 0.1856-0.0000 ( 6472 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6906 -35.6906 -35.6858 -35.6858 -35.4073 -35.4073 -35.4033 -35.4033 -35.3968 -35.3968 -35.3930 -35.3930 -20.7449 -20.7449 -7.5047 -7.5047 -5.6942 -5.6942 -5.4330 -5.4330 -2.7284 -2.7284 -2.2252 -2.2252 3.3158 3.3158 3.6586 3.6586 4.5652 4.5652 5.1450 5.1450 5.3307 5.3307 5.4875 5.4875 7.6951 7.6951 9.5141 9.5141 10.4820 10.4820 10.6216 10.6216 k = 0.3333 0.1925-0.0000 ( 6470 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6905 -35.6905 -35.6859 -35.6859 -35.4073 -35.4073 -35.4034 -35.4034 -35.3967 -35.3967 -35.3931 -35.3931 -20.7435 -20.7435 -7.5097 -7.5097 -5.7026 -5.7026 -5.4329 -5.4329 -2.6964 -2.6964 -2.2321 -2.2321 3.2488 3.2488 3.6467 3.6467 4.5711 4.5711 5.1355 5.1355 5.2970 5.2970 5.4619 5.4619 7.6486 7.6486 9.5732 9.5732 10.4634 10.4634 10.6300 10.6300 k = 0.3452 0.1993-0.0000 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6904 -35.6904 -35.6860 -35.6860 -35.4072 -35.4072 -35.4035 -35.4035 -35.3967 -35.3967 -35.3931 -35.3931 -20.7421 -20.7421 -7.5145 -7.5145 -5.7109 -5.7109 -5.4324 -5.4324 -2.6652 -2.6652 -2.2388 -2.2388 3.1799 3.1799 3.6374 3.6374 4.5823 4.5823 5.1263 5.1263 5.2648 5.2648 5.4376 5.4376 7.6050 7.6050 9.6282 9.6282 10.4308 10.4308 10.6414 10.6414 k = 0.3571 0.2062-0.0000 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6903 -35.6903 -35.6861 -35.6861 -35.4072 -35.4072 -35.4036 -35.4036 -35.3966 -35.3966 -35.3932 -35.3932 -20.7409 -20.7409 -7.5192 -7.5192 -5.7188 -5.7188 -5.4315 -5.4315 -2.6352 -2.6352 -2.2454 -2.2454 3.1120 3.1120 3.6285 3.6285 4.5977 4.5977 5.1176 5.1176 5.2343 5.2343 5.4148 5.4148 7.5643 7.5643 9.6783 9.6783 10.3869 10.3869 10.6592 10.6592 k = 0.3690 0.2131-0.0000 ( 6464 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6902 -35.6902 -35.6862 -35.6862 -35.4071 -35.4071 -35.4036 -35.4036 -35.3965 -35.3965 -35.3932 -35.3932 -20.7397 -20.7397 -7.5237 -7.5237 -5.7264 -5.7264 -5.4303 -5.4303 -2.6065 -2.6065 -2.2517 -2.2517 3.0467 3.0467 3.6195 3.6195 4.6163 4.6163 5.1092 5.1092 5.2057 5.2057 5.3935 5.3935 7.5268 7.5268 9.7229 9.7229 10.3369 10.3369 10.6827 10.6827 k = 0.3810 0.2199-0.0000 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6902 -35.6902 -35.6863 -35.6863 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3932 -35.3932 -20.7386 -20.7386 -7.5279 -7.5279 -5.7336 -5.7336 -5.4290 -5.4290 -2.5793 -2.5793 -2.2579 -2.2579 2.9852 2.9852 3.6101 3.6101 4.6373 4.6373 5.1010 5.1010 5.1792 5.1792 5.3738 5.3738 7.4923 7.4923 9.7614 9.7614 10.2853 10.2853 10.7103 10.7103 k = 0.3929 0.2268-0.0000 ( 6476 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6901 -35.6901 -35.6864 -35.6864 -35.4071 -35.4071 -35.4038 -35.4038 -35.3964 -35.3964 -35.3933 -35.3933 -20.7375 -20.7375 -7.5319 -7.5319 -5.7402 -5.7402 -5.4275 -5.4275 -2.5538 -2.5538 -2.2638 -2.2638 2.9281 2.9281 3.6006 3.6006 4.6596 4.6596 5.0929 5.0929 5.1553 5.1553 5.3557 5.3557 7.4610 7.4610 9.7932 9.7932 10.2360 10.2360 10.7403 10.7403 k = 0.4048 0.2337-0.0000 ( 6472 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6900 -35.6900 -35.6865 -35.6865 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3933 -35.3933 -20.7366 -20.7366 -7.5355 -7.5355 -5.7463 -5.7463 -5.4260 -5.4260 -2.5301 -2.5301 -2.2694 -2.2694 2.8759 2.8759 3.5911 3.5911 4.6824 4.6824 5.0843 5.0843 5.1344 5.1344 5.3394 5.3394 7.4330 7.4330 9.8175 9.8175 10.1916 10.1916 10.7711 10.7711 k = 0.4167 0.2406-0.0000 ( 6468 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6899 -35.6899 -35.6866 -35.6866 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3933 -35.3933 -20.7357 -20.7357 -7.5388 -7.5388 -5.7518 -5.7518 -5.4245 -5.4245 -2.5084 -2.5084 -2.2747 -2.2747 2.8291 2.8291 3.5821 3.5821 4.7050 4.7050 5.0745 5.0745 5.1175 5.1175 5.3248 5.3248 7.4082 7.4082 9.8340 9.8340 10.1546 10.1546 10.8014 10.8014 k = 0.4286 0.2474-0.0000 ( 6484 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6899 -35.6899 -35.6867 -35.6867 -35.4070 -35.4070 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7350 -20.7350 -7.5417 -7.5417 -5.7566 -5.7566 -5.4231 -5.4231 -2.4889 -2.4889 -2.2797 -2.2797 2.7878 2.7878 3.5737 3.5737 4.7264 4.7264 5.0632 5.0632 5.1049 5.1049 5.3120 5.3120 7.3866 7.3866 9.8421 9.8421 10.1264 10.1264 10.8298 10.8298 k = 0.4405 0.2543-0.0000 ( 6478 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6898 -35.6898 -35.6867 -35.6867 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7344 -20.7344 -7.5442 -7.5442 -5.7607 -5.7607 -5.4218 -5.4218 -2.4719 -2.4719 -2.2842 -2.2842 2.7525 2.7525 3.5662 3.5662 4.7462 4.7462 5.0508 5.0508 5.0964 5.0964 5.3011 5.3011 7.3683 7.3683 9.8428 9.8428 10.1074 10.1074 10.8555 10.8555 k = 0.4524 0.2612-0.0000 ( 6482 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6897 -35.6897 -35.6868 -35.6868 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7338 -20.7338 -7.5463 -7.5463 -5.7641 -5.7641 -5.4207 -5.4207 -2.4574 -2.4574 -2.2883 -2.2883 2.7233 2.7233 3.5598 3.5598 4.7637 4.7637 5.0388 5.0388 5.0907 5.0907 5.2921 5.2921 7.3533 7.3533 9.8379 9.8379 10.0963 10.0963 10.8776 10.8776 k = 0.4643 0.2681-0.0000 ( 6474 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6897 -35.6897 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3934 -35.3934 -20.7334 -20.7334 -7.5479 -7.5479 -5.7667 -5.7667 -5.4198 -5.4198 -2.4458 -2.4458 -2.2917 -2.2917 2.7004 2.7004 3.5547 3.5547 4.7782 4.7782 5.0283 5.0283 5.0869 5.0869 5.2851 5.2851 7.3417 7.3417 9.8304 9.8304 10.0909 10.0909 10.8954 10.8954 k = 0.4762 0.2749-0.0000 ( 6466 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7331 -20.7331 -7.5491 -7.5491 -5.7687 -5.7687 -5.4192 -5.4192 -2.4373 -2.4373 -2.2943 -2.2943 2.6840 2.6840 3.5510 3.5510 4.7892 4.7892 5.0202 5.0202 5.0844 5.0844 5.2800 5.2800 7.3334 7.3334 9.8230 9.8230 10.0887 10.0887 10.9084 10.9084 k = 0.4881 0.2818-0.0000 ( 6470 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7330 -20.7330 -7.5498 -7.5498 -5.7698 -5.7698 -5.4188 -5.4188 -2.4320 -2.4320 -2.2960 -2.2960 2.6741 2.6741 3.5487 3.5487 4.7960 4.7960 5.0150 5.0150 5.0831 5.0831 5.2770 5.2770 7.3284 7.3284 9.8178 9.8178 10.0881 10.0881 10.9164 10.9164 k = 0.5000 0.2887-0.0000 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7702 -5.7702 -5.4186 -5.4186 -2.4303 -2.4303 -2.2965 -2.2965 2.6708 2.6708 3.5480 3.5480 4.7984 4.7984 5.0132 5.0132 5.0826 5.0826 5.2760 5.2760 7.3267 7.3267 9.8160 9.8160 10.0880 10.0880 10.9191 10.9191 k = 0.5000 0.2887-0.0000 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7702 -5.7702 -5.4186 -5.4186 -2.4303 -2.4303 -2.2965 -2.2965 2.6708 2.6708 3.5480 3.5480 4.7984 4.7984 5.0132 5.0132 5.0826 5.0826 5.2760 5.2760 7.3267 7.3267 9.8160 9.8160 10.0880 10.0880 10.9191 10.9191 k = 0.4931 0.3007-0.0000 ( 6468 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5500 -7.5500 -5.7700 -5.7700 -5.4191 -5.4191 -2.4297 -2.4297 -2.2965 -2.2965 2.6720 2.6720 3.5463 3.5463 4.7975 4.7975 5.0118 5.0118 5.0782 5.0782 5.2767 5.2767 7.3355 7.3355 9.8171 9.8171 10.0902 10.0902 10.9215 10.9215 k = 0.4861 0.3127-0.0000 ( 6474 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7328 -20.7328 -7.5500 -7.5500 -5.7696 -5.7696 -5.4206 -5.4206 -2.4281 -2.4281 -2.2962 -2.2962 2.6756 2.6756 3.5414 3.5414 4.7942 4.7942 5.0068 5.0068 5.0666 5.0666 5.2788 5.2788 7.3616 7.3616 9.8204 9.8204 10.0967 10.0967 10.9285 10.9285 k = 0.4792 0.3248-0.0000 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6870 -35.6870 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7327 -20.7327 -7.5500 -7.5500 -5.7688 -5.7688 -5.4231 -5.4231 -2.4254 -2.4254 -2.2958 -2.2958 2.6817 2.6817 3.5334 3.5334 4.7865 4.7865 4.9966 4.9966 5.0527 5.0527 5.2819 5.2819 7.4037 7.4037 9.8259 9.8259 10.1071 10.1071 10.9393 10.9393 k = 0.4722 0.3368-0.0000 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6870 -35.6870 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7326 -20.7326 -7.5501 -7.5501 -5.7678 -5.7678 -5.4265 -5.4265 -2.4217 -2.4217 -2.2953 -2.2953 2.6901 2.6901 3.5224 3.5224 4.7704 4.7704 4.9815 4.9815 5.0421 5.0421 5.2860 5.2860 7.4604 7.4604 9.8335 9.8335 10.1208 10.1208 10.9524 10.9524 k = 0.4653 0.3488-0.0000 ( 6478 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6870 -35.6870 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7324 -20.7324 -7.5501 -7.5501 -5.7665 -5.7665 -5.4308 -5.4308 -2.4171 -2.4171 -2.2946 -2.2946 2.7009 2.7009 3.5086 3.5086 4.7413 4.7413 4.9669 4.9669 5.0360 5.0360 5.2904 5.2904 7.5298 7.5298 9.8431 9.8431 10.1369 10.1369 10.9647 10.9647 k = 0.4583 0.3608-0.0000 ( 6484 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6870 -35.6870 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7322 -20.7322 -7.5502 -7.5502 -5.7649 -5.7649 -5.4358 -5.4358 -2.4116 -2.4116 -2.2938 -2.2938 2.7141 2.7141 3.4923 3.4923 4.6965 4.6965 4.9588 4.9588 5.0332 5.0332 5.2951 5.2951 7.6099 7.6099 9.8547 9.8547 10.1543 10.1543 10.9714 10.9714 k = 0.4514 0.3729-0.0000 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6871 -35.6871 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7320 -20.7320 -7.5503 -7.5503 -5.7632 -5.7632 -5.4415 -5.4415 -2.4053 -2.4053 -2.2928 -2.2928 2.7295 2.7295 3.4737 3.4737 4.6377 4.6377 4.9582 4.9582 5.0328 5.0328 5.2995 5.2995 7.6990 7.6990 9.8682 9.8682 10.1718 10.1718 10.9652 10.9652 k = 0.4444 0.3849-0.0000 ( 6480 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6895 -35.6895 -35.6871 -35.6871 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7317 -20.7317 -7.5504 -7.5504 -5.7612 -5.7612 -5.4478 -5.4478 -2.3983 -2.3983 -2.2916 -2.2916 2.7472 2.7472 3.4533 3.4533 4.5686 4.5686 4.9631 4.9631 5.0348 5.0348 5.3034 5.3034 7.7954 7.7954 9.8834 9.8834 10.1881 10.1881 10.9378 10.9378 k = 0.4375 0.3969-0.0000 ( 6484 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6871 -35.6871 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7314 -20.7314 -7.5505 -7.5505 -5.7591 -5.7591 -5.4546 -5.4546 -2.3908 -2.3908 -2.2903 -2.2903 2.7671 2.7671 3.4313 3.4313 4.4927 4.4927 4.9713 4.9713 5.0394 5.0394 5.3066 5.3066 7.8978 7.8978 9.9000 9.9000 10.2022 10.2022 10.8865 10.8865 k = 0.4306 0.4090-0.0000 ( 6488 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6872 -35.6872 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7311 -20.7311 -7.5507 -7.5507 -5.7569 -5.7569 -5.4617 -5.4617 -2.3829 -2.3829 -2.2889 -2.2889 2.7890 2.7890 3.4082 3.4082 4.4125 4.4125 4.9808 4.9808 5.0471 5.0471 5.3089 5.3089 8.0050 8.0050 9.9179 9.9179 10.2130 10.2130 10.8161 10.8161 k = 0.4236 0.4210-0.0000 ( 6496 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6893 -35.6893 -35.6873 -35.6873 -35.4070 -35.4070 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7308 -20.7308 -7.5509 -7.5509 -5.7546 -5.7546 -5.4690 -5.4690 -2.3748 -2.3748 -2.2873 -2.2873 2.8130 2.8130 3.3843 3.3843 4.3300 4.3300 4.9903 4.9903 5.0580 5.0580 5.3100 5.3100 8.1162 8.1162 9.9366 9.9366 10.2201 10.2201 10.7348 10.7348 k = 0.4167 0.4330-0.0000 ( 6490 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6893 -35.6893 -35.6873 -35.6873 -35.4070 -35.4070 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7305 -20.7305 -7.5511 -7.5511 -5.7524 -5.7524 -5.4764 -5.4764 -2.3666 -2.3666 -2.2855 -2.2855 2.8389 2.8389 3.3601 3.3601 4.2466 4.2466 4.9993 4.9993 5.0720 5.0720 5.3099 5.3099 8.2305 8.2305 9.9555 9.9555 10.2234 10.2234 10.6491 10.6491 k = 0.4097 0.4450-0.0000 ( 6494 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6892 -35.6892 -35.6874 -35.6874 -35.4070 -35.4070 -35.4040 -35.4040 -35.3964 -35.3964 -35.3935 -35.3935 -20.7301 -20.7301 -7.5514 -7.5514 -5.7501 -5.7501 -5.4837 -5.4837 -2.3584 -2.3584 -2.2834 -2.2834 2.8666 2.8666 3.3359 3.3359 4.1634 4.1634 5.0080 5.0080 5.0883 5.0883 5.3085 5.3085 8.3473 8.3473 9.9738 9.9738 10.2231 10.2231 10.5635 10.5635 k = 0.4028 0.4571-0.0000 ( 6490 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6891 -35.6891 -35.6875 -35.6875 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7298 -20.7298 -7.5517 -7.5517 -5.7480 -5.7480 -5.4907 -5.4907 -2.3506 -2.3506 -2.2812 -2.2812 2.8958 2.8958 3.3120 3.3120 4.0815 4.0815 5.0167 5.0167 5.1058 5.1058 5.3058 5.3058 8.4661 8.4661 9.9898 9.9898 10.2195 10.2195 10.4810 10.4810 k = 0.3958 0.4691-0.0000 ( 6496 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6891 -35.6891 -35.6875 -35.6875 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7294 -20.7294 -7.5520 -7.5520 -5.7460 -5.7460 -5.4974 -5.4974 -2.3432 -2.3432 -2.2787 -2.2787 2.9265 2.9265 3.2889 3.2889 4.0017 4.0017 5.0255 5.0255 5.1239 5.1239 5.3019 5.3019 8.5866 8.5866 10.0013 10.0013 10.2121 10.2121 10.4041 10.4041 k = 0.3889 0.4811-0.0000 ( 6504 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6890 -35.6890 -35.6876 -35.6876 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7291 -20.7291 -7.5523 -7.5523 -5.7442 -5.7442 -5.5037 -5.5037 -2.3365 -2.3365 -2.2760 -2.2760 2.9584 2.9584 3.2669 3.2669 3.9248 3.9248 5.0348 5.0348 5.1417 5.1417 5.2967 5.2967 8.7082 8.7082 10.0043 10.0043 10.1985 10.1985 10.3352 10.3352 k = 0.3819 0.4932-0.0000 ( 6500 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6889 -35.6889 -35.6877 -35.6877 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7288 -20.7288 -7.5527 -7.5527 -5.7426 -5.7426 -5.5093 -5.5093 -2.3305 -2.3305 -2.2730 -2.2730 2.9911 2.9911 3.2462 3.2462 3.8516 3.8516 5.0445 5.0445 5.1586 5.1586 5.2905 5.2905 8.8307 8.8307 9.9942 9.9942 10.1693 10.1693 10.2819 10.2819 k = 0.3750 0.5052-0.0000 ( 6504 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6889 -35.6889 -35.6878 -35.6878 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7285 -20.7285 -7.5530 -7.5530 -5.7413 -5.7413 -5.5143 -5.5143 -2.3254 -2.3254 -2.2699 -2.2699 3.0241 3.0241 3.2273 3.2273 3.7829 3.7829 5.0545 5.0545 5.1741 5.1741 5.2835 5.2835 8.9538 8.9538 9.9684 9.9684 10.1144 10.1144 10.2541 10.2541 k = 0.3681 0.5172-0.0000 ( 6496 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6888 -35.6888 -35.6879 -35.6879 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7283 -20.7283 -7.5534 -7.5534 -5.7403 -5.7403 -5.5185 -5.5185 -2.3212 -2.3212 -2.2668 -2.2668 3.0567 3.0567 3.2103 3.2103 3.7200 3.7200 5.0647 5.0647 5.1876 5.1876 5.2758 5.2758 9.0771 9.0771 9.9294 9.9294 10.0435 10.0435 10.2441 10.2441 k = 0.3611 0.5292-0.0000 ( 6496 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6887 -35.6887 -35.6879 -35.6879 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7281 -20.7281 -7.5537 -7.5537 -5.7396 -5.7396 -5.5219 -5.5219 -2.3178 -2.3178 -2.2639 -2.2639 3.0879 3.0879 3.1956 3.1956 3.6639 3.6639 5.0748 5.0748 5.1990 5.1990 5.2680 5.2680 9.2001 9.2001 9.8829 9.8829 9.9678 9.9678 10.2427 10.2427 k = 0.3542 0.5413-0.0000 ( 6504 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6886 -35.6886 -35.6880 -35.6880 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7279 -20.7279 -7.5540 -7.5540 -5.7391 -5.7391 -5.5246 -5.5246 -2.3152 -2.3152 -2.2613 -2.2613 3.1162 3.1162 3.1833 3.1833 3.6165 3.6165 5.0842 5.0842 5.2082 5.2082 5.2602 5.2602 9.3225 9.3225 9.8340 9.8340 9.8914 9.8914 10.2468 10.2468 k = 0.3472 0.5533-0.0000 ( 6496 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6885 -35.6885 -35.6881 -35.6881 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5542 -7.5542 -5.7388 -5.7388 -5.5264 -5.5264 -2.3134 -2.3134 -2.2593 -2.2593 3.1395 3.1395 3.1737 3.1737 3.5799 3.5799 5.0920 5.0920 5.2153 5.2153 5.2530 5.2530 9.4433 9.4433 9.7854 9.7854 9.8161 9.8161 10.2555 10.2555 k = 0.3403 0.5653-0.0000 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6882 -35.6882 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3934 -35.3934 -20.7277 -20.7277 -7.5544 -7.5544 -5.7387 -5.7387 -5.5274 -5.5274 -2.3123 -2.3123 -2.2581 -2.2581 3.1553 3.1553 3.1673 3.1673 3.5568 3.5568 5.0974 5.0974 5.2208 5.2208 5.2469 5.2469 9.5616 9.5616 9.7370 9.7370 9.7445 9.7445 10.2683 10.2683 k = 0.3333 0.5774-0.0000 ( 6474 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7387 -5.7387 -5.5278 -5.5278 -2.3119 -2.3119 -2.2576 -2.2576 3.1604 3.1604 3.1654 3.1654 3.5489 3.5489 5.0994 5.0994 5.2235 5.2235 5.2437 5.2437 9.6665 9.6665 9.6719 9.6719 9.7044 9.7044 10.2819 10.2819 k = 0.3333 0.5774-0.0000 ( 6474 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7387 -5.7387 -5.5278 -5.5278 -2.3119 -2.3119 -2.2576 -2.2576 3.1604 3.1604 3.1654 3.1654 3.5489 3.5489 5.0994 5.0994 5.2235 5.2235 5.2437 5.2437 9.6665 9.6665 9.6719 9.6719 9.7044 9.7044 10.2819 10.2819 k = 0.3264 0.5653-0.0000 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6882 -35.6882 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5544 -7.5544 -5.7387 -5.7387 -5.5275 -5.5275 -2.3123 -2.3123 -2.2581 -2.2581 3.1589 3.1589 3.1641 3.1641 3.5564 3.5564 5.0973 5.0973 5.2197 5.2197 5.2480 5.2480 9.5994 9.5994 9.6511 9.6511 9.7921 9.7921 10.2620 10.2620 k = 0.3194 0.5533-0.0000 ( 6478 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6885 -35.6885 -35.6881 -35.6881 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7278 -20.7278 -7.5541 -7.5541 -5.7386 -5.7386 -5.5266 -5.5266 -2.3137 -2.3137 -2.2592 -2.2592 3.1516 3.1516 3.1651 3.1651 3.5770 3.5770 5.0916 5.0916 5.2102 5.2102 5.2589 5.2589 9.5318 9.5318 9.6123 9.6123 9.8962 9.8962 10.2324 10.2324 k = 0.3125 0.5413-0.0000 ( 6474 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6886 -35.6886 -35.6880 -35.6880 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7279 -20.7279 -7.5538 -7.5538 -5.7384 -5.7384 -5.5252 -5.5252 -2.3164 -2.3164 -2.2610 -2.2610 3.1395 3.1395 3.1705 3.1705 3.6075 3.6075 5.0826 5.0826 5.1972 5.1972 5.2737 5.2737 9.4664 9.4664 9.5741 9.5741 9.9910 9.9910 10.2028 10.2028 k = 0.3056 0.5292-0.0000 ( 6466 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6887 -35.6887 -35.6879 -35.6879 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3934 -35.3934 -20.7282 -20.7282 -7.5532 -7.5532 -5.7380 -5.7380 -5.5235 -5.5235 -2.3206 -2.3206 -2.2630 -2.2630 3.1264 3.1264 3.1796 3.1796 3.6449 3.6449 5.0713 5.0713 5.1814 5.1814 5.2914 5.2914 9.4034 9.4034 9.5361 9.5361 10.0644 10.0644 10.1874 10.1874 k = 0.2986 0.5172-0.0000 ( 6470 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6888 -35.6888 -35.6878 -35.6878 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3934 -35.3934 -20.7285 -20.7285 -7.5525 -7.5525 -5.7373 -5.7373 -5.5214 -5.5214 -2.3267 -2.3267 -2.2649 -2.2649 3.1146 3.1146 3.1921 3.1921 3.6871 3.6871 5.0582 5.0582 5.1632 5.1632 5.3114 5.3114 9.3427 9.3427 9.4973 9.4973 10.0861 10.0861 10.2184 10.2184 k = 0.2917 0.5052-0.0000 ( 6462 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6889 -35.6889 -35.6876 -35.6876 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7289 -20.7289 -7.5515 -7.5515 -5.7362 -5.7362 -5.5190 -5.5190 -2.3352 -2.3352 -2.2663 -2.2663 3.1056 3.1056 3.2080 3.2080 3.7325 3.7325 5.0435 5.0435 5.1433 5.1433 5.3331 5.3331 9.2845 9.2845 9.4569 9.4569 10.0734 10.0734 10.2801 10.2801 k = 0.2847 0.4932-0.0000 ( 6470 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6890 -35.6890 -35.6875 -35.6875 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7293 -20.7293 -7.5502 -7.5502 -5.7348 -5.7348 -5.5165 -5.5165 -2.3462 -2.3462 -2.2671 -2.2671 3.1001 3.1001 3.2274 3.2274 3.7798 3.7798 5.0273 5.0273 5.1226 5.1226 5.3563 5.3563 9.2287 9.2287 9.4142 9.4142 10.0574 10.0574 10.3422 10.3422 k = 0.2778 0.4811-0.0000 ( 6474 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6892 -35.6892 -35.6874 -35.6874 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7299 -20.7299 -7.5487 -7.5487 -5.7330 -5.7330 -5.5138 -5.5138 -2.3598 -2.3598 -2.2672 -2.2672 3.0988 3.0988 3.2502 3.2502 3.8282 3.8282 5.0093 5.0093 5.1022 5.1022 5.3808 5.3808 9.1754 9.1754 9.3690 9.3690 10.0456 10.0456 10.3978 10.3978 k = 0.2708 0.4691-0.0000 ( 6470 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6893 -35.6893 -35.6873 -35.6873 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7305 -20.7305 -7.5470 -7.5470 -5.7307 -5.7307 -5.5110 -5.5110 -2.3758 -2.3758 -2.2666 -2.2666 3.1019 3.1019 3.2764 3.2764 3.8770 3.8770 4.9892 4.9892 5.0835 5.0835 5.4065 5.4065 9.1247 9.1247 9.3217 9.3217 10.0393 10.0393 10.4459 10.4459 k = 0.2639 0.4571-0.0000 ( 6474 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6872 -35.6872 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7312 -20.7312 -7.5449 -7.5449 -5.7280 -5.7280 -5.5082 -5.5082 -2.3941 -2.3941 -2.2654 -2.2654 3.1096 3.1096 3.3060 3.3060 3.9252 3.9252 4.9668 4.9668 5.0675 5.0675 5.4331 5.4331 9.0766 9.0766 9.2727 9.2727 10.0380 10.0380 10.4864 10.4864 k = 0.2569 0.4450-0.0000 ( 6462 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6870 -35.6870 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7320 -20.7320 -7.5426 -7.5426 -5.7248 -5.7248 -5.5053 -5.5053 -2.4147 -2.4147 -2.2635 -2.2635 3.1219 3.1219 3.3389 3.3389 3.9723 3.9723 4.9427 4.9427 5.0548 5.0548 5.4605 5.4605 9.0310 9.0310 9.2226 9.2226 10.0406 10.0406 10.5200 10.5200 k = 0.2500 0.4330-0.0000 ( 6470 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4071 -35.4071 -35.4038 -35.4038 -35.3965 -35.3965 -35.3934 -35.3934 -20.7329 -20.7329 -7.5399 -7.5399 -5.7211 -5.7211 -5.5024 -5.5024 -2.4373 -2.4373 -2.2612 -2.2612 3.1386 3.1386 3.3751 3.3751 4.0174 4.0174 4.9181 4.9181 5.0455 5.0455 5.4888 5.4888 8.9882 8.9882 9.1722 9.1722 10.0458 10.0458 10.5473 10.5473 k = 0.2431 0.4210-0.0000 ( 6478 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6897 -35.6897 -35.6868 -35.6868 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3933 -35.3933 -20.7339 -20.7339 -7.5370 -7.5370 -5.7170 -5.7170 -5.4995 -5.4995 -2.4618 -2.4618 -2.2583 -2.2583 3.1596 3.1596 3.4144 3.4144 4.0595 4.0595 4.8944 4.8944 5.0395 5.0395 5.5177 5.5177 8.9480 8.9480 9.1221 9.1221 10.0518 10.0518 10.5691 10.5691 k = 0.2361 0.4090-0.0000 ( 6462 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6898 -35.6898 -35.6867 -35.6867 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3933 -35.3933 -20.7349 -20.7349 -7.5337 -7.5337 -5.7125 -5.7125 -5.4965 -5.4965 -2.4881 -2.4881 -2.2550 -2.2550 3.1845 3.1845 3.4567 3.4567 4.0978 4.0978 4.8734 4.8734 5.0366 5.0366 5.5471 5.5471 8.9107 8.9107 9.0729 9.0729 10.0571 10.0571 10.5862 10.5862 k = 0.2292 0.3969-0.0000 ( 6466 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6899 -35.6899 -35.6865 -35.6865 -35.4071 -35.4071 -35.4036 -35.4036 -35.3965 -35.3965 -35.3933 -35.3933 -20.7360 -20.7360 -7.5302 -7.5302 -5.7076 -5.7076 -5.4934 -5.4934 -2.5160 -2.5160 -2.2512 -2.2512 3.2129 3.2129 3.5021 3.5021 4.1311 4.1311 4.8566 4.8566 5.0367 5.0367 5.5770 5.5770 8.8763 8.8763 9.0251 9.0251 10.0602 10.0602 10.5988 10.5988 k = 0.2222 0.3849-0.0000 ( 6470 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6900 -35.6900 -35.6864 -35.6864 -35.4072 -35.4072 -35.4036 -35.4036 -35.3966 -35.3966 -35.3932 -35.3932 -20.7372 -20.7372 -7.5264 -7.5264 -5.7024 -5.7024 -5.4903 -5.4903 -2.5453 -2.5453 -2.2471 -2.2471 3.2441 3.2441 3.5503 3.5503 4.1587 4.1587 4.8457 4.8457 5.0398 5.0398 5.6073 5.6073 8.8448 8.8448 8.9792 8.9792 10.0598 10.0598 10.6072 10.6072 k = 0.2153 0.3729-0.0000 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6901 -35.6901 -35.6863 -35.6863 -35.4072 -35.4072 -35.4035 -35.4035 -35.3966 -35.3966 -35.3932 -35.3932 -20.7385 -20.7385 -7.5224 -7.5224 -5.6968 -5.6968 -5.4870 -5.4870 -2.5760 -2.5760 -2.2425 -2.2425 3.2775 3.2775 3.6012 3.6012 4.1802 4.1802 4.8420 4.8420 5.0460 5.0460 5.6377 5.6377 8.8163 8.8163 8.9354 8.9354 10.0549 10.0549 10.6110 10.6110 k = 0.2083 0.3608-0.0000 ( 6468 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6902 -35.6902 -35.6862 -35.6862 -35.4072 -35.4072 -35.4035 -35.4035 -35.3967 -35.3967 -35.3932 -35.3932 -20.7398 -20.7398 -7.5182 -7.5182 -5.6909 -5.6909 -5.4836 -5.4836 -2.6078 -2.6078 -2.2376 -2.2376 3.3120 3.3120 3.6547 3.6547 4.1959 4.1959 4.8459 4.8459 5.0553 5.0553 5.6683 5.6683 8.7910 8.7910 8.8940 8.8940 10.0448 10.0448 10.6096 10.6096 k = 0.2014 0.3488-0.0000 ( 6468 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6903 -35.6903 -35.6861 -35.6861 -35.4073 -35.4073 -35.4034 -35.4034 -35.3967 -35.3967 -35.3931 -35.3931 -20.7412 -20.7412 -7.5137 -7.5137 -5.6849 -5.6849 -5.4798 -5.4798 -2.6406 -2.6406 -2.2324 -2.2324 3.3464 3.3464 3.7107 3.7107 4.2071 4.2071 4.8574 4.8574 5.0678 5.0678 5.6989 5.6989 8.7688 8.7688 8.8553 8.8553 10.0295 10.0295 10.6019 10.6019 k = 0.1944 0.3368-0.0000 ( 6468 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6904 -35.6904 -35.6859 -35.6859 -35.4073 -35.4073 -35.4033 -35.4033 -35.3968 -35.3968 -35.3931 -35.3931 -20.7426 -20.7426 -7.5091 -7.5091 -5.6787 -5.6787 -5.4758 -5.4758 -2.6743 -2.6743 -2.2268 -2.2268 3.3790 3.3790 3.7690 3.7690 4.2162 4.2162 4.8756 4.8756 5.0834 5.0834 5.7293 5.7293 8.7498 8.7498 8.8194 8.8194 10.0089 10.0089 10.5872 10.5872 k = 0.1875 0.3248-0.0000 ( 6468 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6905 -35.6905 -35.6858 -35.6858 -35.4073 -35.4073 -35.4033 -35.4033 -35.3968 -35.3968 -35.3930 -35.3930 -20.7441 -20.7441 -7.5043 -7.5043 -5.6725 -5.6725 -5.4714 -5.4714 -2.7086 -2.7086 -2.2210 -2.2210 3.4082 3.4082 3.8294 3.8294 4.2259 4.2259 4.8994 4.8994 5.1024 5.1024 5.7595 5.7595 8.7340 8.7340 8.7865 8.7865 9.9834 9.9834 10.5650 10.5650 k = 0.1806 0.3127-0.0000 ( 6456 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6906 -35.6906 -35.6857 -35.6857 -35.4074 -35.4074 -35.4032 -35.4032 -35.3969 -35.3969 -35.3930 -35.3930 -20.7456 -20.7456 -7.4994 -7.4994 -5.6663 -5.6663 -5.4665 -5.4665 -2.7435 -2.7435 -2.2150 -2.2150 3.4320 3.4320 3.8918 3.8918 4.2396 4.2396 4.9272 4.9272 5.1246 5.1246 5.7893 5.7893 8.7210 8.7210 8.7571 8.7571 9.9536 9.9536 10.5355 10.5355 k = 0.1736 0.3007-0.0000 ( 6454 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6907 -35.6907 -35.6856 -35.6856 -35.4074 -35.4074 -35.4031 -35.4031 -35.3970 -35.3970 -35.3929 -35.3929 -20.7472 -20.7472 -7.4944 -7.4944 -5.6602 -5.6602 -5.4610 -5.4610 -2.7787 -2.7787 -2.2088 -2.2088 3.4486 3.4486 3.9560 3.9560 4.2603 4.2603 4.9578 4.9578 5.1502 5.1502 5.8184 5.8184 8.7090 8.7090 8.7327 8.7327 9.9200 9.9200 10.4994 10.4994 k = 0.1667 0.2887-0.0000 ( 6462 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6908 -35.6908 -35.6855 -35.6855 -35.4075 -35.4075 -35.4030 -35.4030 -35.3971 -35.3971 -35.3929 -35.3929 -20.7487 -20.7487 -7.4893 -7.4893 -5.6543 -5.6543 -5.4549 -5.4549 -2.8141 -2.8141 -2.2024 -2.2024 3.4566 3.4566 4.0218 4.0218 4.2901 4.2901 4.9899 4.9899 5.1792 5.1792 5.8469 5.8469 8.6928 8.6928 8.7184 8.7184 9.8832 9.8832 10.4578 10.4578 k = 0.1597 0.2766-0.0000 ( 6460 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6909 -35.6909 -35.6854 -35.6854 -35.4075 -35.4075 -35.4029 -35.4029 -35.3971 -35.3971 -35.3928 -35.3928 -20.7503 -20.7503 -7.4843 -7.4843 -5.6487 -5.6487 -5.4481 -5.4481 -2.8497 -2.8497 -2.1959 -2.1959 3.4558 3.4558 4.0889 4.0889 4.3304 4.3304 5.0226 5.0226 5.2115 5.2115 5.8746 5.8746 8.6723 8.6723 8.7143 8.7143 9.8438 9.8438 10.4123 10.4123 k = 0.1528 0.2646-0.0000 ( 6460 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6910 -35.6910 -35.6853 -35.6853 -35.4075 -35.4075 -35.4028 -35.4028 -35.3972 -35.3972 -35.3928 -35.3928 -20.7520 -20.7520 -7.4792 -7.4792 -5.6434 -5.6434 -5.4406 -5.4406 -2.8852 -2.8852 -2.1894 -2.1894 3.4465 3.4465 4.1573 4.1573 4.3814 4.3814 5.0551 5.0551 5.2470 5.2470 5.9013 5.9013 8.6516 8.6516 8.7158 8.7158 9.8026 9.8026 10.3644 10.3644 k = 0.1458 0.2526-0.0000 ( 6460 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6911 -35.6911 -35.6851 -35.6851 -35.4076 -35.4076 -35.4027 -35.4027 -35.3973 -35.3973 -35.3927 -35.3927 -20.7536 -20.7536 -7.4742 -7.4742 -5.6386 -5.6386 -5.4323 -5.4323 -2.9204 -2.9204 -2.1828 -2.1828 3.4297 3.4297 4.2267 4.2267 4.4424 4.4424 5.0869 5.0869 5.2857 5.2857 5.9269 5.9269 8.6317 8.6317 8.7214 8.7214 9.7601 9.7601 10.3153 10.3153 k = 0.1389 0.2406-0.0000 ( 6462 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6851 -35.6851 -35.4076 -35.4076 -35.4026 -35.4026 -35.3974 -35.3974 -35.3927 -35.3927 -20.7552 -20.7552 -7.4693 -7.4693 -5.6342 -5.6342 -5.4233 -5.4233 -2.9553 -2.9553 -2.1762 -2.1762 3.4070 3.4070 4.2968 4.2968 4.5123 4.5123 5.1174 5.1174 5.3275 5.3275 5.9513 5.9513 8.6123 8.6123 8.7306 8.7306 9.7170 9.7170 10.2664 10.2664 k = 0.1319 0.2285-0.0000 ( 6460 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6850 -35.6850 -35.4077 -35.4077 -35.4024 -35.4024 -35.3975 -35.3975 -35.3926 -35.3926 -20.7568 -20.7568 -7.4645 -7.4645 -5.6302 -5.6302 -5.4134 -5.4134 -2.9898 -2.9898 -2.1697 -2.1697 3.3796 3.3796 4.3676 4.3676 4.5898 4.5898 5.1464 5.1464 5.3721 5.3721 5.9745 5.9745 8.5932 8.5932 8.7432 8.7432 9.6739 9.6739 10.2185 10.2185 k = 0.1250 0.2165-0.0000 ( 6462 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6913 -35.6913 -35.6849 -35.6849 -35.4077 -35.4077 -35.4023 -35.4023 -35.3976 -35.3976 -35.3926 -35.3926 -20.7583 -20.7583 -7.4598 -7.4598 -5.6267 -5.6267 -5.4029 -5.4029 -3.0236 -3.0236 -2.1633 -2.1633 3.3490 3.3490 4.4387 4.4387 4.6739 4.6739 5.1738 5.1738 5.4194 5.4194 5.9963 5.9963 8.5738 8.5738 8.7587 8.7587 9.6313 9.6313 10.1724 10.1724 k = 0.1181 0.2045-0.0000 ( 6452 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6914 -35.6914 -35.6848 -35.6848 -35.4077 -35.4077 -35.4022 -35.4022 -35.3977 -35.3977 -35.3925 -35.3925 -20.7599 -20.7599 -7.4553 -7.4553 -5.6236 -5.6236 -5.3918 -5.3918 -3.0566 -3.0566 -2.1570 -2.1570 3.3161 3.3161 4.5099 4.5099 4.7632 4.7632 5.1993 5.1993 5.4689 5.4689 6.0167 6.0167 8.5536 8.5536 8.7769 8.7769 9.5898 9.5898 10.1283 10.1283 k = 0.1111 0.1925-0.0000 ( 6464 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6915 -35.6915 -35.6847 -35.6847 -35.4078 -35.4078 -35.4021 -35.4021 -35.3978 -35.3978 -35.3925 -35.3925 -20.7614 -20.7614 -7.4509 -7.4509 -5.6210 -5.6210 -5.3801 -5.3801 -3.0888 -3.0888 -2.1508 -2.1508 3.2821 3.2821 4.5811 4.5811 4.8567 4.8567 5.2232 5.2232 5.5205 5.5205 6.0357 6.0357 8.5321 8.5321 8.7971 8.7971 9.5494 9.5494 10.0864 10.0864 k = 0.1042 0.1804-0.0000 ( 6452 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6846 -35.6846 -35.4078 -35.4078 -35.4020 -35.4020 -35.3979 -35.3979 -35.3924 -35.3924 -20.7629 -20.7629 -7.4468 -7.4468 -5.6188 -5.6188 -5.3681 -5.3681 -3.1199 -3.1199 -2.1449 -2.1449 3.2475 3.2475 4.6519 4.6519 4.9533 4.9533 5.2455 5.2455 5.5737 5.5737 6.0533 6.0533 8.5091 8.5091 8.8187 8.8187 9.5102 9.5102 10.0465 10.0465 k = 0.0972 0.1684-0.0000 ( 6444 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6845 -35.6845 -35.4078 -35.4078 -35.4018 -35.4018 -35.3980 -35.3980 -35.3924 -35.3924 -20.7643 -20.7643 -7.4429 -7.4429 -5.6169 -5.6169 -5.3557 -5.3557 -3.1499 -3.1499 -2.1392 -2.1392 3.2130 3.2130 4.7219 4.7219 5.0514 5.0514 5.2673 5.2673 5.6280 5.6280 6.0694 6.0694 8.4842 8.4842 8.8409 8.8409 9.4718 9.4718 10.0082 10.0082 k = 0.0903 0.1564-0.0000 ( 6452 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6844 -35.6844 -35.4079 -35.4079 -35.4017 -35.4017 -35.3981 -35.3981 -35.3924 -35.3924 -20.7656 -20.7656 -7.4393 -7.4393 -5.6154 -5.6154 -5.3433 -5.3433 -3.1786 -3.1786 -2.1338 -2.1338 3.1792 3.1792 4.7910 4.7910 5.1476 5.1476 5.2909 5.2909 5.6830 5.6830 6.0841 6.0841 8.4574 8.4574 8.8628 8.8628 9.4335 9.4335 9.9703 9.9703 k = 0.0833 0.1443-0.0000 ( 6458 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6844 -35.6844 -35.4079 -35.4079 -35.4016 -35.4016 -35.3983 -35.3983 -35.3923 -35.3923 -20.7669 -20.7669 -7.4358 -7.4358 -5.6141 -5.6141 -5.3308 -5.3308 -3.2059 -3.2059 -2.1287 -2.1287 3.1465 3.1465 4.8586 4.8586 5.2306 5.2306 5.3271 5.3271 5.7380 5.7380 6.0975 6.0975 8.4288 8.4288 8.8831 8.8831 9.3944 9.3944 9.9313 9.9313 k = 0.0764 0.1323-0.0000 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4079 -35.4079 -35.4014 -35.4014 -35.3984 -35.3984 -35.3923 -35.3923 -20.7681 -20.7681 -7.4327 -7.4327 -5.6131 -5.6131 -5.3185 -5.3185 -3.2316 -3.2316 -2.1239 -2.1239 3.1153 3.1153 4.9244 4.9244 5.2774 5.2774 5.3982 5.3982 5.7924 5.7924 6.1096 6.1096 8.3985 8.3985 8.9006 8.9006 9.3533 9.3533 9.8885 9.8885 k = 0.0694 0.1203-0.0000 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6843 -35.6843 -35.4080 -35.4080 -35.4013 -35.4013 -35.3985 -35.3985 -35.3923 -35.3923 -20.7692 -20.7692 -7.4298 -7.4298 -5.6122 -5.6122 -5.3066 -5.3066 -3.2557 -3.2557 -2.1194 -2.1194 3.0859 3.0859 4.9878 4.9878 5.2991 5.2991 5.4922 5.4922 5.8454 5.8454 6.1205 6.1205 8.3668 8.3668 8.9140 8.9140 9.3093 9.3093 9.8417 9.8417 k = 0.0625 0.1083-0.0000 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4012 -35.4012 -35.3986 -35.3986 -35.3922 -35.3922 -20.7703 -20.7703 -7.4272 -7.4272 -5.6116 -5.6116 -5.2952 -5.2952 -3.2780 -3.2780 -2.1153 -2.1153 3.0585 3.0585 5.0483 5.0483 5.3129 5.3129 5.5910 5.5910 5.8965 5.8965 6.1304 6.1304 8.3339 8.3339 8.9222 8.9222 9.2617 9.2617 9.7961 9.7961 k = 0.0556 0.0962-0.0000 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4010 -35.4010 -35.3988 -35.3988 -35.3922 -35.3922 -20.7712 -20.7712 -7.4248 -7.4248 -5.6110 -5.6110 -5.2845 -5.2845 -3.2983 -3.2983 -2.1116 -2.1116 3.0334 3.0334 5.1053 5.1053 5.3232 5.3232 5.6889 5.6889 5.9447 5.9447 6.1394 6.1394 8.3003 8.3003 8.9247 8.9247 9.2105 9.2105 9.7569 9.7569 k = 0.0486 0.0842-0.0000 ( 6458 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4009 -35.4009 -35.3989 -35.3989 -35.3922 -35.3922 -20.7721 -20.7721 -7.4228 -7.4228 -5.6106 -5.6106 -5.2745 -5.2745 -3.3165 -3.3165 -2.1083 -2.1083 3.0108 3.0108 5.1581 5.1581 5.3314 5.3314 5.7832 5.7832 5.9894 5.9894 6.1477 6.1477 8.2663 8.2663 8.9216 8.9216 9.1569 9.1569 9.7257 9.7257 k = 0.0417 0.0722-0.0000 ( 6459 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4081 -35.4081 -35.4008 -35.4008 -35.3990 -35.3990 -35.3922 -35.3922 -20.7728 -20.7728 -7.4210 -7.4210 -5.6103 -5.6103 -5.2656 -5.2656 -3.3327 -3.3327 -2.1054 -2.1054 2.9909 2.9909 5.2059 5.2059 5.3380 5.3380 5.8714 5.8714 6.0299 6.0299 6.1555 6.1555 8.2326 8.2326 8.9138 8.9138 9.1029 9.1029 9.7020 9.7020 k = 0.0347 0.0601-0.0000 ( 6445 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4006 -35.4006 -35.3991 -35.3991 -35.3921 -35.3921 -20.7734 -20.7734 -7.4194 -7.4194 -5.6101 -5.6101 -5.2578 -5.2578 -3.3465 -3.3465 -2.1030 -2.1030 2.9738 2.9738 5.2480 5.2480 5.3435 5.3435 5.9505 5.9505 6.0662 6.0662 6.1633 6.1633 8.1999 8.1999 8.9030 8.9030 9.0512 9.0512 9.6841 9.6841 k = 0.0278 0.0481-0.0000 ( 6437 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4005 -35.4005 -35.3992 -35.3992 -35.3921 -35.3921 -20.7740 -20.7740 -7.4182 -7.4182 -5.6099 -5.6099 -5.2512 -5.2512 -3.3579 -3.3579 -2.1009 -2.1009 2.9596 2.9596 5.2833 5.2833 5.3482 5.3482 6.0162 6.0162 6.0993 6.0993 6.1711 6.1711 8.1695 8.1695 8.8911 8.8911 9.0046 9.0046 9.6703 9.6703 k = 0.0208 0.0361-0.0000 ( 6419 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6839 -35.6839 -35.4081 -35.4081 -35.4003 -35.4003 -35.3994 -35.3994 -35.3921 -35.3921 -20.7744 -20.7744 -7.4173 -7.4173 -5.6098 -5.6098 -5.2460 -5.2460 -3.3669 -3.3669 -2.0993 -2.0993 2.9485 2.9485 5.3108 5.3108 5.3526 5.3526 6.0630 6.0630 6.1319 6.1319 6.1791 6.1791 8.1430 8.1430 8.8799 8.8799 8.9657 8.9657 9.6597 9.6597 k = 0.0139 0.0241-0.0000 ( 6425 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7747 -20.7747 -7.4166 -7.4166 -5.6097 -5.6097 -5.2422 -5.2422 -3.3734 -3.3734 -2.0982 -2.0982 2.9405 2.9405 5.3292 5.3292 5.3574 5.3574 6.0894 6.0894 6.1628 6.1628 6.1866 6.1866 8.1221 8.1221 8.8709 8.8709 8.9364 8.9364 9.6519 9.6519 k = 0.0069 0.0120-0.0000 ( 6437 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4162 -7.4162 -5.6096 -5.6096 -5.2398 -5.2398 -3.3773 -3.3773 -2.0975 -2.0975 2.9357 2.9357 5.3383 5.3383 5.3624 5.3624 6.1018 6.1018 6.1833 6.1833 6.1938 6.1938 8.1087 8.1087 8.8652 8.8652 8.9183 8.9183 9.6471 9.6471 k = 0.0000 0.0000 0.0000 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4160 -7.4160 -5.6096 -5.6096 -5.2391 -5.2391 -3.3786 -3.3786 -2.0973 -2.0973 2.9341 2.9341 5.3408 5.3408 5.3646 5.3646 6.1054 6.1054 6.1885 6.1885 6.1986 6.1986 8.1041 8.1041 8.8633 8.8633 8.9121 8.9121 9.6455 9.6455 k = 0.0000 0.0000 0.0000 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4160 -7.4160 -5.6096 -5.6096 -5.2391 -5.2391 -3.3786 -3.3786 -2.0973 -2.0973 2.9341 2.9341 5.3408 5.3408 5.3646 5.3646 6.1054 6.1054 6.1885 6.1885 6.1986 6.1986 8.1041 8.1041 8.8633 8.8633 8.9121 8.9121 9.6455 9.6455 k = 0.0000 0.0000 0.0137 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4160 -7.4160 -5.6098 -5.6098 -5.2391 -5.2391 -3.3770 -3.3770 -2.0994 -2.0994 2.9371 2.9371 5.3416 5.3416 5.3655 5.3655 6.0991 6.0991 6.1833 6.1833 6.1969 6.1969 8.1140 8.1140 8.8481 8.8481 8.9295 8.9295 9.6437 9.6437 k = 0.0000 0.0000 0.0274 ( 6437 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4161 -7.4161 -5.6103 -5.6103 -5.2391 -5.2391 -3.3721 -3.3721 -2.1056 -2.1056 2.9463 2.9463 5.3441 5.3441 5.3680 5.3680 6.0782 6.0782 6.1702 6.1702 6.1920 6.1920 8.1428 8.1428 8.8230 8.8230 8.9614 8.9614 9.6386 9.6386 k = 0.0000 0.0000 0.0412 ( 6461 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4162 -7.4162 -5.6112 -5.6112 -5.2391 -5.2391 -3.3639 -3.3639 -2.1159 -2.1159 2.9614 2.9614 5.3483 5.3483 5.3722 5.3722 6.0399 6.0399 6.1542 6.1542 6.1838 6.1838 8.1881 8.1881 8.7992 8.7992 8.9972 8.9972 9.6302 9.6302 k = 0.0000 0.0000 0.0549 ( 6461 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4164 -7.4164 -5.6123 -5.6123 -5.2391 -5.2391 -3.3526 -3.3526 -2.1303 -2.1303 2.9825 2.9825 5.3542 5.3542 5.3782 5.3782 5.9842 5.9842 6.1377 6.1377 6.1725 6.1725 8.2460 8.2460 8.7794 8.7794 9.0352 9.0352 9.6189 9.6189 k = 0.0000 0.0000 0.0686 ( 6473 PWs) bands (ev): -68.7473 -68.7473 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4166 -7.4166 -5.6138 -5.6138 -5.2391 -5.2391 -3.3381 -3.3381 -2.1484 -2.1484 3.0092 3.0092 5.3617 5.3617 5.3858 5.3858 5.9143 5.9143 6.1205 6.1205 6.1582 6.1582 8.3113 8.3113 8.7666 8.7666 9.0749 9.0749 9.6052 9.6052 k = 0.0000 0.0000 0.0823 ( 6461 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4169 -7.4169 -5.6154 -5.6154 -5.2391 -5.2391 -3.3206 -3.3206 -2.1703 -2.1703 3.0416 3.0416 5.3708 5.3708 5.3950 5.3950 5.8337 5.8337 6.1020 6.1020 6.1413 6.1413 8.3768 8.3768 8.7648 8.7648 9.1163 9.1163 9.5895 9.5895 k = 0.0000 0.0000 0.0960 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4172 -7.4172 -5.6173 -5.6173 -5.2391 -5.2391 -3.3001 -3.3001 -2.1956 -2.1956 3.0792 3.0792 5.3815 5.3815 5.4059 5.4059 5.7452 5.7452 6.0818 6.0818 6.1217 6.1217 8.4333 8.4333 8.7808 8.7808 9.1594 9.1594 9.5724 9.5724 k = 0.0000 0.0000 0.1097 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4175 -7.4175 -5.6194 -5.6194 -5.2390 -5.2390 -3.2768 -3.2768 -2.2241 -2.2241 3.1218 3.1218 5.3938 5.3938 5.4184 5.4184 5.6511 5.6511 6.0598 6.0598 6.1000 6.1000 8.4717 8.4717 8.8206 8.8206 9.2049 9.2049 9.5543 9.5543 k = 0.0000 0.0000 0.1235 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4178 -7.4178 -5.6215 -5.6215 -5.2390 -5.2390 -3.2508 -3.2508 -2.2556 -2.2556 3.1690 3.1690 5.4076 5.4076 5.4324 5.4324 5.5533 5.5533 6.0360 6.0360 6.0762 6.0762 8.4905 8.4905 8.8827 8.8827 9.2535 9.2535 9.5358 9.5358 k = 0.0000 0.0000 0.1372 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4182 -7.4182 -5.6238 -5.6238 -5.2390 -5.2390 -3.2222 -3.2222 -2.2899 -2.2899 3.2205 3.2205 5.4230 5.4230 5.4479 5.4479 5.4532 5.4532 6.0108 6.0108 6.0507 6.0507 8.4952 8.4952 8.9580 8.9580 9.3069 9.3069 9.5173 9.5173 k = 0.0000 0.0000 0.1509 ( 6443 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4185 -7.4185 -5.6260 -5.6260 -5.2390 -5.2390 -3.1911 -3.1911 -2.3265 -2.3265 3.2759 3.2759 5.3520 5.3520 5.4399 5.4399 5.4650 5.4650 5.9842 5.9842 6.0237 6.0237 8.4921 8.4921 9.0361 9.0361 9.3672 9.3672 9.4992 9.4992 k = 0.0000 0.0000 0.1646 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4189 -7.4189 -5.6282 -5.6282 -5.2390 -5.2390 -3.1578 -3.1578 -2.3654 -2.3654 3.3345 3.3345 5.2509 5.2509 5.4581 5.4581 5.4834 5.4834 5.9565 5.9565 5.9955 5.9955 8.4852 8.4852 9.1090 9.1090 9.4352 9.4352 9.4820 9.4820 k = 0.0000 0.0000 0.1783 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4192 -7.4192 -5.6303 -5.6303 -5.2390 -5.2390 -3.1225 -3.1225 -2.4060 -2.4060 3.3957 3.3957 5.1511 5.1511 5.4776 5.4776 5.5032 5.5032 5.9279 5.9279 5.9664 5.9664 8.4769 8.4769 9.1718 9.1718 9.4658 9.4658 9.4803 9.4803 k = 0.0000 0.0000 0.1920 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4001 -35.4001 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4195 -7.4195 -5.6322 -5.6322 -5.2390 -5.2390 -3.0853 -3.0853 -2.4482 -2.4482 3.4587 3.4587 5.0535 5.0535 5.4985 5.4985 5.5243 5.5243 5.8987 5.8987 5.9368 5.9368 8.4683 8.4683 9.2233 9.2233 9.4510 9.4510 9.4701 9.4701 k = 0.0000 0.0000 0.2058 ( 6461 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4198 -7.4198 -5.6340 -5.6340 -5.2390 -5.2390 -3.0464 -3.0464 -2.4916 -2.4916 3.5224 3.5224 4.9596 4.9596 5.5204 5.5204 5.5464 5.5464 5.8691 5.8691 5.9068 5.9068 8.4601 8.4601 9.2647 9.2647 9.4377 9.4377 9.4574 9.4574 k = 0.0000 0.0000 0.2195 ( 6455 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4200 -7.4200 -5.6356 -5.6356 -5.2390 -5.2390 -3.0062 -3.0062 -2.5357 -2.5357 3.5854 3.5854 4.8709 4.8709 5.5434 5.5434 5.5695 5.5695 5.8395 5.8395 5.8768 5.8768 8.4528 8.4528 9.2975 9.2975 9.4262 9.4262 9.4460 9.4460 k = 0.0000 0.0000 0.2332 ( 6449 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4081 -35.4081 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4203 -7.4203 -5.6370 -5.6370 -5.2390 -5.2390 -2.9651 -2.9651 -2.5802 -2.5802 3.6455 3.6455 4.7896 4.7896 5.5672 5.5672 5.5931 5.5931 5.8101 5.8101 5.8473 5.8473 8.4465 8.4465 9.3232 9.3232 9.4166 9.4166 9.4363 9.4363 k = 0.0000 0.0000 0.2469 ( 6461 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4204 -7.4204 -5.6380 -5.6380 -5.2390 -5.2390 -2.9237 -2.9237 -2.6243 -2.6243 3.6997 3.6997 4.7188 4.7188 5.5912 5.5912 5.6169 5.6169 5.7816 5.7816 5.8189 5.8189 8.4416 8.4416 9.3426 9.3426 9.4090 9.4090 9.4286 9.4286 k = 0.0000 0.0000 0.2606 ( 6473 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6921 -35.6921 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4206 -7.4206 -5.6388 -5.6388 -5.2390 -5.2390 -2.8833 -2.8833 -2.6666 -2.6666 3.7441 3.7441 4.6626 4.6626 5.6147 5.6147 5.6396 5.6396 5.7549 5.7549 5.7928 5.7928 8.4380 8.4380 9.3562 9.3562 9.4035 9.4035 9.4231 9.4231 k = 0.0000 0.0000 0.2743 ( 6473 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6921 -35.6921 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3996 -35.3996 -35.3921 -35.3921 -20.7749 -20.7749 -7.4206 -7.4206 -5.6393 -5.6393 -5.2390 -5.2390 -2.8481 -2.8481 -2.7030 -2.7030 3.7738 3.7738 4.6258 4.6258 5.6348 5.6348 5.6582 5.6582 5.7328 5.7328 5.7722 5.7722 8.4358 8.4358 9.3643 9.3643 9.4002 9.4002 9.4197 9.4197 k = 0.0000 0.0000 0.2881 ( 6444 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7749 -20.7749 -7.4207 -7.4207 -5.6394 -5.6394 -5.2390 -5.2390 -2.8313 -2.8313 -2.7202 -2.7202 3.7843 3.7843 4.6129 4.6129 5.6440 5.6440 5.6662 5.6662 5.7229 5.7229 5.7635 5.7635 8.4350 8.4350 9.3670 9.3670 9.3991 9.3991 9.4186 9.4186 k = 0.0000 0.0000 0.2881 ( 6444 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7749 -20.7749 -7.4207 -7.4207 -5.6394 -5.6394 -5.2390 -5.2390 -2.8313 -2.8313 -2.7202 -2.7202 3.7843 3.7843 4.6129 4.6129 5.6440 5.6440 5.6662 5.6662 5.7229 5.7229 5.7635 5.7635 8.4350 8.4350 9.3670 9.3670 9.3991 9.3991 9.4186 9.4186 k = 0.0119 0.0069 0.2881 ( 6466 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6921 -35.6921 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7748 -20.7748 -7.4208 -7.4208 -5.6394 -5.6394 -5.2397 -5.2397 -2.8312 -2.8312 -2.7190 -2.7190 3.7830 3.7830 4.6131 4.6131 5.6398 5.6398 5.6591 5.6591 5.7256 5.7256 5.7634 5.7634 8.4412 8.4412 9.3366 9.3366 9.4098 9.4098 9.4422 9.4422 k = 0.0238 0.0137 0.2881 ( 6470 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4003 -35.4003 -35.3995 -35.3995 -35.3921 -35.3921 -20.7747 -20.7747 -7.4212 -7.4212 -5.6393 -5.6393 -5.2419 -5.2419 -2.8308 -2.8308 -2.7155 -2.7155 3.7789 3.7789 4.6137 4.6137 5.6269 5.6269 5.6416 5.6416 5.7293 5.7293 5.7644 5.7644 8.4592 8.4592 9.2939 9.2939 9.4208 9.4208 9.4855 9.4855 k = 0.0357 0.0206 0.2881 ( 6462 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4004 -35.4004 -35.3994 -35.3994 -35.3921 -35.3921 -20.7744 -20.7744 -7.4218 -7.4218 -5.6392 -5.6392 -5.2455 -5.2455 -2.8302 -2.8302 -2.7097 -2.7097 3.7721 3.7721 4.6145 4.6145 5.6031 5.6031 5.6206 5.6206 5.7278 5.7278 5.7686 5.7686 8.4879 8.4879 9.2523 9.2523 9.4372 9.4372 9.5294 9.5294 k = 0.0476 0.0275 0.2881 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4005 -35.4005 -35.3992 -35.3992 -35.3921 -35.3921 -20.7740 -20.7740 -7.4226 -7.4226 -5.6390 -5.6390 -5.2504 -5.2504 -2.8292 -2.8292 -2.7018 -2.7018 3.7628 3.7628 4.6149 4.6149 5.5689 5.5689 5.5990 5.5990 5.7198 5.7198 5.7760 5.7760 8.5254 8.5254 9.2141 9.2141 9.4598 9.4598 9.5704 9.5704 k = 0.0595 0.0344 0.2881 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4006 -35.4006 -35.3991 -35.3991 -35.3921 -35.3921 -20.7735 -20.7735 -7.4237 -7.4237 -5.6388 -5.6388 -5.2566 -5.2566 -2.8279 -2.8279 -2.6917 -2.6917 3.7510 3.7510 4.6143 4.6143 5.5278 5.5278 5.5756 5.5756 5.7066 5.7066 5.7847 5.7847 8.5686 8.5686 9.1810 9.1810 9.4883 9.4883 9.6064 9.6064 k = 0.0714 0.0412 0.2881 ( 6452 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4007 -35.4007 -35.3990 -35.3990 -35.3922 -35.3922 -20.7728 -20.7728 -7.4251 -7.4251 -5.6385 -5.6385 -5.2640 -5.2640 -2.8262 -2.8262 -2.6798 -2.6798 3.7368 3.7368 4.6118 4.6118 5.4826 5.4826 5.5502 5.5502 5.6894 5.6894 5.7933 5.7933 8.6135 8.6135 9.1552 9.1552 9.5224 9.5224 9.6360 9.6360 k = 0.0833 0.0481 0.2881 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4081 -35.4081 -35.4009 -35.4009 -35.3989 -35.3989 -35.3922 -35.3922 -20.7721 -20.7721 -7.4267 -7.4267 -5.6382 -5.6382 -5.2725 -5.2725 -2.8241 -2.8241 -2.6660 -2.6660 3.7204 3.7204 4.6062 4.6062 5.4358 5.4358 5.5229 5.5229 5.6688 5.6688 5.8015 5.8015 8.6544 8.6544 9.1401 9.1401 9.5617 9.5617 9.6582 9.6582 k = 0.0952 0.0550 0.2881 ( 6446 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4010 -35.4010 -35.3987 -35.3987 -35.3922 -35.3922 -20.7713 -20.7713 -7.4286 -7.4286 -5.6379 -5.6379 -5.2820 -5.2820 -2.8215 -2.8215 -2.6505 -2.6505 3.7020 3.7020 4.5961 4.5961 5.3898 5.3898 5.4941 5.4941 5.6451 5.6451 5.8090 5.8090 8.6847 8.6847 9.1401 9.1401 9.6049 9.6049 9.6740 9.6740 k = 0.1071 0.0619 0.2881 ( 6446 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4011 -35.4011 -35.3986 -35.3986 -35.3922 -35.3922 -20.7704 -20.7704 -7.4307 -7.4307 -5.6377 -5.6377 -5.2923 -5.2923 -2.8184 -2.8184 -2.6336 -2.6336 3.6817 3.6817 4.5797 4.5797 5.3474 5.3474 5.4639 5.4639 5.6187 5.6187 5.8158 5.8158 8.6986 8.6986 9.1578 9.1578 9.6461 9.6461 9.6902 9.6902 k = 0.1190 0.0687 0.2881 ( 6446 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4013 -35.4013 -35.3985 -35.3985 -35.3923 -35.3923 -20.7693 -20.7693 -7.4331 -7.4331 -5.6375 -5.6375 -5.3032 -5.3032 -2.8149 -2.8149 -2.6152 -2.6152 3.6597 3.6597 4.5554 4.5554 5.3111 5.3111 5.4325 5.4325 5.5897 5.5897 5.8219 5.8219 8.6944 8.6944 9.1913 9.1913 9.6677 9.6677 9.7275 9.7275 k = 0.1310 0.0756 0.2881 ( 6442 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4080 -35.4080 -35.4014 -35.4014 -35.3984 -35.3984 -35.3923 -35.3923 -20.7682 -20.7682 -7.4358 -7.4358 -5.6374 -5.6374 -5.3147 -5.3147 -2.8110 -2.8110 -2.5955 -2.5955 3.6364 3.6364 4.5222 4.5222 5.2826 5.2826 5.4002 5.4002 5.5585 5.5585 5.8272 5.8272 8.6747 8.6747 9.2339 9.2339 9.6771 9.6771 9.7828 9.7828 k = 0.1429 0.0825 0.2881 ( 6442 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4079 -35.4079 -35.4015 -35.4015 -35.3982 -35.3982 -35.3923 -35.3923 -20.7670 -20.7670 -7.4387 -7.4387 -5.6375 -5.6375 -5.3265 -5.3265 -2.8067 -2.8067 -2.5747 -2.5747 3.6118 3.6118 4.4794 4.4794 5.2631 5.2631 5.3672 5.3672 5.5254 5.5254 5.8319 5.8319 8.6435 8.6435 9.2764 9.2764 9.6904 9.6904 9.8452 9.8452 k = 0.1548 0.0894 0.2881 ( 6442 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6844 -35.6844 -35.4079 -35.4079 -35.4016 -35.4016 -35.3981 -35.3981 -35.3924 -35.3924 -20.7658 -20.7658 -7.4419 -7.4419 -5.6378 -5.6378 -5.3385 -5.3385 -2.8020 -2.8020 -2.5529 -2.5529 3.5862 3.5862 4.4276 4.4276 5.2525 5.2525 5.3336 5.3336 5.4906 5.4906 5.8358 5.8358 8.6043 8.6043 9.3107 9.3107 9.7150 9.7150 9.9120 9.9120 k = 0.1667 0.0962 0.2881 ( 6438 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6845 -35.6845 -35.4079 -35.4079 -35.4018 -35.4018 -35.3980 -35.3980 -35.3924 -35.3924 -20.7645 -20.7645 -7.4453 -7.4453 -5.6383 -5.6383 -5.3505 -5.3505 -2.7969 -2.7969 -2.5302 -2.5302 3.5599 3.5599 4.3678 4.3678 5.2497 5.2497 5.2997 5.2997 5.4546 5.4546 5.8391 5.8391 8.5593 8.5593 9.3324 9.3324 9.7528 9.7528 9.9818 9.9818 k = 0.1786 0.1031 0.2881 ( 6446 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6845 -35.6845 -35.4078 -35.4078 -35.4019 -35.4019 -35.3979 -35.3979 -35.3924 -35.3924 -20.7631 -20.7631 -7.4489 -7.4489 -5.6392 -5.6392 -5.3622 -5.3622 -2.7915 -2.7915 -2.5068 -2.5068 3.5330 3.5330 4.3016 4.3016 5.2525 5.2525 5.2660 5.2660 5.4183 5.4183 5.8418 5.8418 8.5103 8.5103 9.3416 9.3416 9.8004 9.8004 10.0332 10.0332 k = 0.1905 0.1100 0.2881 ( 6434 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6846 -35.6846 -35.4078 -35.4078 -35.4020 -35.4020 -35.3978 -35.3978 -35.3925 -35.3925 -20.7616 -20.7616 -7.4528 -7.4528 -5.6405 -5.6405 -5.3736 -5.3736 -2.7858 -2.7858 -2.4829 -2.4829 3.5058 3.5058 4.2306 4.2306 5.2307 5.2307 5.2601 5.2601 5.3836 5.3836 5.8439 5.8439 8.4585 8.4585 9.3415 9.3415 9.8488 9.8488 10.0300 10.0300 k = 0.2024 0.1168 0.2881 ( 6446 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6914 -35.6914 -35.6847 -35.6847 -35.4078 -35.4078 -35.4022 -35.4022 -35.3977 -35.3977 -35.3925 -35.3925 -20.7602 -20.7602 -7.4569 -7.4569 -5.6423 -5.6423 -5.3844 -5.3844 -2.7799 -2.7799 -2.4584 -2.4584 3.4784 3.4784 4.1563 4.1563 5.1967 5.1967 5.2627 5.2627 5.3559 5.3559 5.8454 5.8454 8.4050 8.4050 9.3349 9.3349 9.8839 9.8839 10.0352 10.0352 k = 0.2143 0.1237 0.2881 ( 6462 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6914 -35.6914 -35.6848 -35.6848 -35.4077 -35.4077 -35.4023 -35.4023 -35.3976 -35.3976 -35.3926 -35.3926 -20.7587 -20.7587 -7.4612 -7.4612 -5.6447 -5.6447 -5.3944 -5.3944 -2.7737 -2.7737 -2.4337 -2.4337 3.4511 3.4511 4.0800 4.0800 5.1630 5.1630 5.2497 5.2497 5.3466 5.3466 5.8463 5.8463 8.3507 8.3507 9.3236 9.3236 9.8940 9.8940 10.0597 10.0597 k = 0.2262 0.1306 0.2881 ( 6462 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6913 -35.6913 -35.6849 -35.6849 -35.4077 -35.4077 -35.4024 -35.4024 -35.3975 -35.3975 -35.3926 -35.3926 -20.7571 -20.7571 -7.4657 -7.4657 -5.6477 -5.6477 -5.4036 -5.4036 -2.7673 -2.7673 -2.4088 -2.4088 3.4242 3.4242 4.0026 4.0026 5.1296 5.1296 5.2189 5.2189 5.3569 5.3569 5.8468 5.8468 8.2961 8.2961 9.3083 9.3083 9.8854 9.8854 10.0936 10.0936 k = 0.2381 0.1375 0.2881 ( 6454 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6850 -35.6850 -35.4076 -35.4076 -35.4025 -35.4025 -35.3974 -35.3974 -35.3927 -35.3927 -20.7556 -20.7556 -7.4703 -7.4703 -5.6514 -5.6514 -5.4117 -5.4117 -2.7608 -2.7608 -2.3838 -2.3838 3.3976 3.3976 3.9251 3.9251 5.0967 5.0967 5.1798 5.1798 5.3767 5.3767 5.8468 5.8468 8.2420 8.2420 9.2890 9.2890 9.8706 9.8706 10.1222 10.1222 k = 0.2500 0.1443 0.2881 ( 6458 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6911 -35.6911 -35.6851 -35.6851 -35.4076 -35.4076 -35.4026 -35.4026 -35.3973 -35.3973 -35.3927 -35.3927 -20.7540 -20.7540 -7.4751 -7.4751 -5.6559 -5.6559 -5.4186 -5.4186 -2.7541 -2.7541 -2.3590 -2.3590 3.3717 3.3717 3.8482 3.8482 5.0645 5.0645 5.1373 5.1373 5.4006 5.4006 5.8464 5.8464 8.1888 8.1888 9.2651 9.2651 9.8563 9.8563 10.1382 10.1382 k = 0.2619 0.1512 0.2881 ( 6478 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6911 -35.6911 -35.6852 -35.6852 -35.4076 -35.4076 -35.4028 -35.4028 -35.3972 -35.3972 -35.3928 -35.3928 -20.7524 -20.7524 -7.4800 -7.4800 -5.6610 -5.6610 -5.4244 -5.4244 -2.7474 -2.7474 -2.3343 -2.3343 3.3466 3.3466 3.7725 3.7725 5.0331 5.0331 5.0931 5.0931 5.4266 5.4266 5.8456 5.8456 8.1369 8.1369 9.2363 9.2363 9.8464 9.8464 10.1405 10.1405 k = 0.2738 0.1581 0.2881 ( 6472 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6910 -35.6910 -35.6853 -35.6853 -35.4075 -35.4075 -35.4029 -35.4029 -35.3971 -35.3971 -35.3928 -35.3928 -20.7509 -20.7509 -7.4850 -7.4850 -5.6668 -5.6668 -5.4291 -5.4291 -2.7407 -2.7407 -2.3100 -2.3100 3.3223 3.3223 3.6985 3.6985 5.0024 5.0024 5.0483 5.0483 5.4535 5.4535 5.8445 5.8445 8.0867 8.0867 9.2026 9.2026 9.8426 9.8426 10.1320 10.1320 k = 0.2857 0.1650 0.2881 ( 6472 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6909 -35.6909 -35.6854 -35.6854 -35.4075 -35.4075 -35.4030 -35.4030 -35.3971 -35.3971 -35.3929 -35.3929 -20.7493 -20.7493 -7.4900 -7.4900 -5.6733 -5.6733 -5.4326 -5.4326 -2.7339 -2.7339 -2.2861 -2.2861 3.2989 3.2989 3.6268 3.6268 4.9723 4.9723 5.0036 5.0036 5.4807 5.4807 5.8432 5.8432 8.0383 8.0383 9.1644 9.1644 9.8457 9.8457 10.1166 10.1166 k = 0.2976 0.1718 0.2881 ( 6468 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6908 -35.6908 -35.6855 -35.6855 -35.4074 -35.4074 -35.4031 -35.4031 -35.3970 -35.3970 -35.3929 -35.3929 -20.7478 -20.7478 -7.4951 -7.4951 -5.6802 -5.6802 -5.4350 -5.4350 -2.7272 -2.7272 -2.2628 -2.2628 3.2765 3.2765 3.5577 3.5577 4.9416 4.9416 4.9605 4.9605 5.5078 5.5078 5.8416 5.8416 7.9919 7.9919 9.1224 9.1224 9.8552 9.8552 10.0977 10.0977 k = 0.3095 0.1787 0.2881 ( 6472 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6907 -35.6907 -35.6856 -35.6856 -35.4074 -35.4074 -35.4032 -35.4032 -35.3969 -35.3969 -35.3930 -35.3930 -20.7463 -20.7463 -7.5001 -7.5001 -5.6874 -5.6874 -5.4365 -5.4365 -2.7206 -2.7206 -2.2402 -2.2402 3.2549 3.2549 3.4918 3.4918 4.9052 4.9052 4.9245 4.9245 5.5344 5.5344 5.8400 5.8400 7.9476 7.9476 9.0779 9.0779 9.8698 9.8698 10.0787 10.0787 k = 0.3214 0.1856 0.2881 ( 6466 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6906 -35.6906 -35.6858 -35.6858 -35.4073 -35.4073 -35.4033 -35.4033 -35.3968 -35.3968 -35.3930 -35.3930 -20.7449 -20.7449 -7.5051 -7.5051 -5.6949 -5.6949 -5.4372 -5.4372 -2.7142 -2.7142 -2.2183 -2.2183 3.2341 3.2341 3.4295 3.4295 4.8629 4.8629 4.8963 4.8963 5.5603 5.5603 5.8382 5.8382 7.9055 7.9055 9.0318 9.0318 9.8865 9.8865 10.0633 10.0633 k = 0.3333 0.1925 0.2881 ( 6474 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6905 -35.6905 -35.6859 -35.6859 -35.4073 -35.4073 -35.4034 -35.4034 -35.3968 -35.3968 -35.3931 -35.3931 -20.7435 -20.7435 -7.5099 -7.5099 -5.7024 -5.7024 -5.4371 -5.4371 -2.7079 -2.7079 -2.1974 -2.1974 3.2135 3.2135 3.3716 3.3716 4.8197 4.8197 4.8712 4.8712 5.5851 5.5851 5.8365 5.8365 7.8656 7.8656 8.9852 8.9852 9.9003 9.9003 10.0568 10.0568 k = 0.3452 0.1993 0.2881 ( 6472 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6904 -35.6904 -35.6860 -35.6860 -35.4072 -35.4072 -35.4035 -35.4035 -35.3967 -35.3967 -35.3931 -35.3931 -20.7421 -20.7421 -7.5147 -7.5147 -5.7100 -5.7100 -5.4365 -5.4365 -2.7018 -2.7018 -2.1774 -2.1774 3.1923 3.1923 3.3192 3.3192 4.7771 4.7771 4.8479 4.8479 5.6088 5.6088 5.8349 5.8349 7.8280 7.8280 8.9392 8.9392 9.9049 9.9049 10.0654 10.0654 k = 0.3571 0.2062 0.2881 ( 6466 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6904 -35.6904 -35.6861 -35.6861 -35.4072 -35.4072 -35.4035 -35.4035 -35.3966 -35.3966 -35.3932 -35.3932 -20.7409 -20.7409 -7.5193 -7.5193 -5.7173 -5.7173 -5.4355 -5.4355 -2.6960 -2.6960 -2.1586 -2.1586 3.1690 3.1690 3.2741 3.2741 4.7358 4.7358 4.8263 4.8263 5.6311 5.6311 5.8335 5.8335 7.7926 7.7926 8.8944 8.8944 9.8987 9.8987 10.0901 10.0901 k = 0.3690 0.2131 0.2881 ( 6460 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6903 -35.6903 -35.6862 -35.6862 -35.4071 -35.4071 -35.4036 -35.4036 -35.3966 -35.3966 -35.3932 -35.3932 -20.7397 -20.7397 -7.5237 -7.5237 -5.7244 -5.7244 -5.4341 -5.4341 -2.6905 -2.6905 -2.1409 -2.1409 3.1417 3.1417 3.2381 3.2381 4.6961 4.6961 4.8064 4.8064 5.6518 5.6518 5.8324 5.8324 7.7595 7.7595 8.8516 8.8516 9.8854 9.8854 10.1269 10.1269 k = 0.3810 0.2199 0.2881 ( 6452 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6902 -35.6902 -35.6863 -35.6863 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3932 -35.3932 -20.7385 -20.7385 -7.5278 -7.5278 -5.7312 -5.7312 -5.4325 -5.4325 -2.6853 -2.6853 -2.1244 -2.1244 3.1102 3.1102 3.2119 3.2119 4.6584 4.6584 4.7880 4.7880 5.6707 5.6707 5.8317 5.8317 7.7288 7.7288 8.8114 8.8114 9.8692 9.8692 10.1708 10.1708 k = 0.3929 0.2268 0.2881 ( 6448 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6901 -35.6901 -35.6864 -35.6864 -35.4071 -35.4071 -35.4037 -35.4037 -35.3964 -35.3964 -35.3933 -35.3933 -20.7375 -20.7375 -7.5317 -7.5317 -5.7375 -5.7375 -5.4307 -5.4307 -2.6805 -2.6805 -2.1093 -2.1093 3.0765 3.0765 3.1933 3.1933 4.6230 4.6230 4.7713 4.7713 5.6878 5.6878 5.8315 5.8315 7.7004 7.7004 8.7741 8.7741 9.8522 9.8522 10.2187 10.2187 k = 0.4048 0.2337 0.2881 ( 6456 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6900 -35.6900 -35.6865 -35.6865 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3933 -35.3933 -20.7366 -20.7366 -7.5352 -7.5352 -5.7433 -5.7433 -5.4289 -5.4289 -2.6761 -2.6761 -2.0956 -2.0956 3.0434 3.0434 3.1797 3.1797 4.5903 4.5903 4.7563 4.7563 5.7027 5.7027 5.8319 5.8319 7.6745 7.6745 8.7401 8.7401 9.8357 9.8357 10.2685 10.2685 k = 0.4167 0.2406 0.2881 ( 6458 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6899 -35.6899 -35.6866 -35.6866 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3933 -35.3933 -20.7357 -20.7357 -7.5384 -7.5384 -5.7485 -5.7485 -5.4272 -5.4272 -2.6721 -2.6721 -2.0834 -2.0834 3.0124 3.0124 3.1694 3.1694 4.5605 4.5605 4.7430 4.7430 5.7154 5.7154 5.8329 5.8329 7.6512 7.6512 8.7096 8.7096 9.8205 9.8205 10.3181 10.3181 k = 0.4286 0.2474 0.2881 ( 6454 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6898 -35.6898 -35.6866 -35.6866 -35.4070 -35.4070 -35.4039 -35.4039 -35.3963 -35.3963 -35.3934 -35.3934 -20.7350 -20.7350 -7.5413 -7.5413 -5.7532 -5.7532 -5.4255 -5.4255 -2.6686 -2.6686 -2.0727 -2.0727 2.9847 2.9847 3.1615 3.1615 4.5341 4.5341 4.7314 4.7314 5.7259 5.7259 5.8345 5.8345 7.6307 7.6307 8.6829 8.6829 9.8068 9.8068 10.3659 10.3659 k = 0.4405 0.2543 0.2881 ( 6458 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6898 -35.6898 -35.6867 -35.6867 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7344 -20.7344 -7.5437 -7.5437 -5.7572 -5.7572 -5.4240 -5.4240 -2.6656 -2.6656 -2.0635 -2.0635 2.9607 2.9607 3.1554 3.1554 4.5111 4.5111 4.7215 4.7215 5.7343 5.7343 5.8366 5.8366 7.6129 7.6129 8.6602 8.6602 9.7950 9.7950 10.4103 10.4103 k = 0.4524 0.2612 0.2881 ( 6468 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6897 -35.6897 -35.6868 -35.6868 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7338 -20.7338 -7.5458 -7.5458 -5.7605 -5.7605 -5.4227 -5.4227 -2.6631 -2.6631 -2.0560 -2.0560 2.9408 2.9408 3.1508 3.1508 4.4919 4.4919 4.7135 4.7135 5.7406 5.7406 5.8390 5.8390 7.5982 7.5982 8.6414 8.6414 9.7851 9.7851 10.4493 10.4493 k = 0.4643 0.2681 0.2881 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6897 -35.6897 -35.6869 -35.6869 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7334 -20.7334 -7.5474 -7.5474 -5.7630 -5.7630 -5.4217 -5.4217 -2.6611 -2.6611 -2.0501 -2.0501 2.9252 2.9252 3.1474 3.1474 4.4768 4.4768 4.7072 4.7072 5.7451 5.7451 5.8412 5.8412 7.5866 7.5866 8.6268 8.6268 9.7773 9.7773 10.4497 10.4497 k = 0.4762 0.2749 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4040 -35.4040 -35.3962 -35.3962 -35.3934 -35.3934 -20.7331 -20.7331 -7.5485 -7.5485 -5.7649 -5.7649 -5.4209 -5.4209 -2.6597 -2.6597 -2.0458 -2.0458 2.9139 2.9139 3.1451 3.1451 4.4659 4.4659 4.7026 4.7026 5.7481 5.7481 5.8431 5.8431 7.5782 7.5782 8.6163 8.6163 9.7718 9.7718 10.4459 10.4459 k = 0.4881 0.2818 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7330 -20.7330 -7.5492 -7.5492 -5.7660 -5.7660 -5.4204 -5.4204 -2.6589 -2.6589 -2.0433 -2.0433 2.9072 2.9072 3.1437 3.1437 4.4592 4.4592 4.6999 4.6999 5.7498 5.7498 5.8444 5.8444 7.5731 7.5731 8.6100 8.6100 9.7684 9.7684 10.4435 10.4435 k = 0.5000 0.2887 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7664 -5.7664 -5.4203 -5.4203 -2.6586 -2.6586 -2.0424 -2.0424 2.9049 2.9049 3.1433 3.1433 4.4570 4.4570 4.6990 4.6990 5.7504 5.7504 5.8448 5.8448 7.5714 7.5714 8.6079 8.6079 9.7673 9.7673 10.4427 10.4427 k = 0.5000 0.2887 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7664 -5.7664 -5.4203 -5.4203 -2.6586 -2.6586 -2.0424 -2.0424 2.9049 2.9049 3.1433 3.1433 4.4570 4.4570 4.6990 4.6990 5.7504 5.7504 5.8448 5.8448 7.5714 7.5714 8.6079 8.6079 9.7673 9.7673 10.4427 10.5270 k = 0.4931 0.3007 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7663 -5.7663 -5.4208 -5.4208 -2.6577 -2.6577 -2.0429 -2.0429 2.9064 2.9064 3.1439 3.1439 4.4579 4.4579 4.6958 4.6958 5.7462 5.7462 5.8398 5.8398 7.5763 7.5763 8.6135 8.6135 9.7741 9.7741 10.4177 10.4177 k = 0.4861 0.3127 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7328 -20.7328 -7.5495 -7.5495 -5.7658 -5.7658 -5.4223 -5.4223 -2.6552 -2.6552 -2.0444 -2.0444 2.9110 2.9110 3.1460 3.1460 4.4605 4.4605 4.6861 4.6861 5.7331 5.7331 5.8254 5.8254 7.5907 7.5907 8.6302 8.6302 9.7945 9.7945 10.3738 10.3738 k = 0.4792 0.3248 0.2881 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7327 -20.7327 -7.5495 -7.5495 -5.7650 -5.7650 -5.4247 -5.4247 -2.6509 -2.6509 -2.0468 -2.0468 2.9186 2.9186 3.1494 3.1494 4.4649 4.4649 4.6703 4.6703 5.7098 5.7098 5.8039 5.8039 7.6142 7.6142 8.6575 8.6575 9.8281 9.8281 10.3275 10.3275 k = 0.4722 0.3368 0.2881 ( 6464 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6870 -35.6870 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7326 -20.7326 -7.5496 -7.5496 -5.7640 -5.7640 -5.4281 -5.4281 -2.6450 -2.6450 -2.0503 -2.0503 2.9291 2.9291 3.1542 3.1542 4.4710 4.4710 4.6488 4.6488 5.6751 5.6751 5.7781 5.7781 7.6458 7.6458 8.6948 8.6948 9.8742 9.8742 10.2815 10.2815 k = 0.4653 0.3488 0.2881 ( 6466 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6870 -35.6870 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7324 -20.7324 -7.5496 -7.5496 -5.7627 -5.7627 -5.4323 -5.4323 -2.6374 -2.6374 -2.0547 -2.0547 2.9426 2.9426 3.1602 3.1602 4.4788 4.4788 4.6222 4.6222 5.6287 5.6287 5.7497 5.7497 7.6848 7.6848 8.7414 8.7414 9.9318 9.9318 10.2365 10.2365 k = 0.4583 0.3608 0.2881 ( 6470 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6870 -35.6870 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7322 -20.7322 -7.5497 -7.5497 -5.7612 -5.7612 -5.4373 -5.4373 -2.6283 -2.6283 -2.0600 -2.0600 2.9587 2.9587 3.1676 3.1676 4.4882 4.4882 4.5912 4.5912 5.5720 5.5720 5.7192 5.7192 7.7303 7.7303 8.7959 8.7959 9.9998 9.9998 10.1931 10.1931 k = 0.4514 0.3729 0.2881 ( 6466 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6870 -35.6870 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3934 -35.3934 -20.7320 -20.7320 -7.5498 -7.5498 -5.7594 -5.7594 -5.4430 -5.4430 -2.6177 -2.6177 -2.0664 -2.0664 2.9774 2.9774 3.1762 3.1762 4.4990 4.4990 4.5568 4.5568 5.5073 5.5073 5.6863 5.6863 7.7814 7.7814 8.8571 8.8571 10.0757 10.0757 10.1529 10.1529 k = 0.4444 0.3849 0.2881 ( 6466 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6895 -35.6895 -35.6871 -35.6871 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7317 -20.7317 -7.5499 -7.5499 -5.7575 -5.7575 -5.4493 -5.4493 -2.6056 -2.6056 -2.0736 -2.0736 2.9986 2.9986 3.1860 3.1860 4.5086 4.5086 4.5220 4.5220 5.4366 5.4366 5.6509 5.6509 7.8375 7.8375 8.9229 8.9229 10.1071 10.1071 10.1677 10.1677 k = 0.4375 0.3969 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6871 -35.6871 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7314 -20.7314 -7.5500 -7.5500 -5.7554 -5.7554 -5.4560 -5.4560 -2.5922 -2.5922 -2.0819 -2.0819 3.0220 3.0220 3.1969 3.1969 4.4780 4.4780 4.5268 4.5268 5.3619 5.3619 5.6130 5.6130 7.8981 7.8981 8.9912 8.9912 10.0744 10.0744 10.2567 10.2567 k = 0.4306 0.4090 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6872 -35.6872 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7311 -20.7311 -7.5502 -7.5502 -5.7532 -5.7532 -5.4631 -5.4631 -2.5776 -2.5776 -2.0910 -2.0910 3.0473 3.0473 3.2088 3.2088 4.4371 4.4371 4.5415 4.5415 5.2847 5.2847 5.5726 5.5726 7.9626 7.9626 9.0589 9.0589 10.0453 10.0453 10.3519 10.3519 k = 0.4236 0.4210 0.2881 ( 6464 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6893 -35.6893 -35.6872 -35.6872 -35.4069 -35.4069 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7308 -20.7308 -7.5504 -7.5504 -5.7509 -5.7509 -5.4703 -5.4703 -2.5618 -2.5618 -2.1011 -2.1011 3.0743 3.0743 3.2218 3.2218 4.3953 4.3953 4.5573 4.5573 5.2067 5.2067 5.5301 5.5301 8.0306 8.0306 9.1225 9.1225 10.0242 10.0242 10.4492 10.4492 k = 0.4167 0.4330 0.2881 ( 6480 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6893 -35.6893 -35.6873 -35.6873 -35.4070 -35.4070 -35.4040 -35.4040 -35.3963 -35.3963 -35.3935 -35.3935 -20.7305 -20.7305 -7.5507 -7.5507 -5.7487 -5.7487 -5.4776 -5.4776 -2.5450 -2.5450 -2.1121 -2.1121 3.1026 3.1026 3.2356 3.2356 4.3533 4.3533 4.5737 4.5737 5.1294 5.1294 5.4858 5.4858 8.1017 8.1017 9.1776 9.1776 10.0143 10.0143 10.5457 10.5457 k = 0.4097 0.4450 0.2881 ( 6466 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6892 -35.6892 -35.6874 -35.6874 -35.4070 -35.4070 -35.4039 -35.4039 -35.3963 -35.3963 -35.3935 -35.3935 -20.7301 -20.7301 -7.5509 -7.5509 -5.7464 -5.7464 -5.4848 -5.4848 -2.5272 -2.5272 -2.1239 -2.1239 3.1318 3.1318 3.2502 3.2502 4.3119 4.3119 4.5900 4.5900 5.0545 5.0545 5.4403 5.4403 8.1756 8.1756 9.2198 9.2198 10.0185 10.0185 10.6379 10.6379 k = 0.4028 0.4571 0.2881 ( 6458 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6891 -35.6891 -35.6874 -35.6874 -35.4070 -35.4070 -35.4039 -35.4039 -35.3963 -35.3963 -35.3935 -35.3935 -20.7298 -20.7298 -7.5512 -7.5512 -5.7443 -5.7443 -5.4918 -5.4918 -2.5086 -2.5086 -2.1366 -2.1366 3.1615 3.1615 3.2656 3.2656 4.2717 4.2717 4.6047 4.6047 4.9843 4.9843 5.3938 5.3938 8.2517 8.2517 9.2459 9.2459 10.0387 10.0387 10.7217 10.7217 k = 0.3958 0.4691 0.2881 ( 6466 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6891 -35.6891 -35.6875 -35.6875 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7294 -20.7294 -7.5515 -7.5515 -5.7424 -5.7424 -5.4984 -5.4984 -2.4894 -2.4894 -2.1500 -2.1500 3.1908 3.1908 3.2815 3.2815 4.2332 4.2332 4.6155 4.6155 4.9221 4.9221 5.3469 5.3469 8.3294 8.3294 9.2549 9.2549 10.0740 10.0740 10.7925 10.7925 k = 0.3889 0.4811 0.2881 ( 6474 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6890 -35.6890 -35.6876 -35.6876 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7291 -20.7291 -7.5519 -7.5519 -5.7406 -5.7406 -5.5045 -5.5045 -2.4696 -2.4696 -2.1642 -2.1642 3.2193 3.2193 3.2978 3.2978 4.1970 4.1970 4.6181 4.6181 4.8730 4.8730 5.2999 5.2999 8.4082 8.4082 9.2484 9.2484 10.1207 10.1207 10.8464 10.8464 k = 0.3819 0.4932 0.2881 ( 6470 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6889 -35.6889 -35.6877 -35.6877 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7288 -20.7288 -7.5522 -7.5522 -5.7391 -5.7391 -5.5101 -5.5101 -2.4495 -2.4495 -2.1791 -2.1791 3.2461 3.2461 3.3145 3.3145 4.1635 4.1635 4.6075 4.6075 4.8431 4.8431 5.2534 5.2534 8.4873 8.4873 9.2296 9.2296 10.1737 10.1737 10.8812 10.8812 k = 0.3750 0.5052 0.2881 ( 6466 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6889 -35.6889 -35.6877 -35.6877 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7285 -20.7285 -7.5526 -7.5526 -5.7378 -5.7378 -5.5149 -5.5149 -2.4291 -2.4291 -2.1947 -2.1947 3.2702 3.2702 3.3314 3.3314 4.1333 4.1333 4.5826 4.5826 4.8345 4.8345 5.2077 5.2077 8.5658 8.5658 9.2015 9.2015 10.2275 10.2275 10.8980 10.8980 k = 0.3681 0.5172 0.2881 ( 6474 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6888 -35.6888 -35.6878 -35.6878 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7283 -20.7283 -7.5529 -7.5529 -5.7368 -5.7368 -5.5191 -5.5191 -2.4087 -2.4087 -2.2107 -2.2107 3.2911 3.2911 3.3479 3.3479 4.1069 4.1069 4.5491 4.5491 4.8424 4.8424 5.1632 5.1632 8.6425 8.6425 9.1672 9.1672 10.2771 10.2771 10.9005 10.9005 k = 0.3611 0.5292 0.2881 ( 6482 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6887 -35.6887 -35.6879 -35.6879 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7281 -20.7281 -7.5533 -7.5533 -5.7361 -5.7361 -5.5224 -5.5224 -2.3885 -2.3885 -2.2272 -2.2272 3.3083 3.3083 3.3633 3.3633 4.0845 4.0845 4.5145 4.5145 4.8603 4.8603 5.1203 5.1203 8.7162 8.7162 9.1286 9.1286 10.3191 10.3191 10.8940 10.8940 k = 0.3542 0.5413 0.2881 ( 6478 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6886 -35.6886 -35.6880 -35.6880 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7279 -20.7279 -7.5535 -7.5535 -5.7357 -5.7357 -5.5249 -5.5249 -2.3689 -2.3689 -2.2437 -2.2437 3.3216 3.3216 3.3764 3.3764 4.0668 4.0668 4.4841 4.4841 4.8839 4.8839 5.0794 5.0794 8.7854 8.7854 9.0876 9.0876 10.3514 10.3514 10.8834 10.8834 k = 0.3472 0.5533 0.2881 ( 6474 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6885 -35.6885 -35.6881 -35.6881 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5538 -7.5538 -5.7355 -5.7355 -5.5267 -5.5267 -2.3505 -2.3505 -2.2598 -2.2598 3.3312 3.3312 3.3863 3.3863 4.0539 4.0539 4.4608 4.4608 4.9111 4.9111 5.0408 5.0408 8.8485 8.8485 9.0453 9.0453 10.3733 10.3733 10.8727 10.8727 k = 0.3403 0.5653 0.2881 ( 6472 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6882 -35.6882 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5539 -7.5539 -5.7354 -5.7354 -5.5277 -5.5277 -2.3351 -2.3351 -2.2738 -2.2738 3.3369 3.3369 3.3923 3.3923 4.0461 4.0461 4.4463 4.4463 4.9405 4.9405 5.0049 5.0049 8.9031 8.9031 9.0038 9.0038 10.3854 10.3854 10.8651 10.8651 k = 0.3333 0.5774 0.2881 ( 6480 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7353 -5.7353 -5.5280 -5.5280 -2.3281 -2.3281 -2.2803 -2.2803 3.3388 3.3388 3.3943 3.3943 4.0435 4.0435 4.4414 4.4414 4.9685 4.9685 4.9747 4.9747 8.9353 8.9353 8.9760 8.9760 10.3891 10.3891 10.8624 10.8624 k = 0.3333 0.5774 0.2881 ( 6480 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7353 -5.7353 -5.5280 -5.5280 -2.3281 -2.3281 -2.2803 -2.2803 3.3388 3.3388 3.3943 3.3943 4.0435 4.0435 4.4414 4.4414 4.9685 4.9685 4.9747 4.9747 8.9353 8.9353 8.9760 8.9760 10.3891 10.3891 10.8624 10.8624 k = 0.3264 0.5653 0.2881 ( 6476 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6882 -35.6882 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5539 -7.5539 -5.7353 -5.7353 -5.5277 -5.5277 -2.3349 -2.3349 -2.2739 -2.2739 3.3369 3.3369 3.3925 3.3925 4.0461 4.0461 4.4462 4.4462 4.9415 4.9415 5.0038 5.0038 8.9074 8.9074 8.9993 8.9993 10.3860 10.3860 10.8651 10.8651 k = 0.3194 0.5533 0.2881 ( 6476 PWs) bands (ev): -68.7464 -68.7464 -68.7463 -68.7463 -35.6885 -35.6885 -35.6881 -35.6881 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7277 -20.7277 -7.5537 -7.5537 -5.7352 -5.7352 -5.5269 -5.5269 -2.3498 -2.3498 -2.2607 -2.2607 3.3314 3.3314 3.3878 3.3878 4.0538 4.0538 4.4602 4.4602 4.9149 4.9149 5.0364 5.0364 8.8669 8.8669 9.0262 9.0262 10.3780 10.3780 10.8728 10.8728 k = 0.3125 0.5413 0.2881 ( 6474 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6886 -35.6886 -35.6880 -35.6880 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7279 -20.7279 -7.5533 -7.5533 -5.7350 -5.7350 -5.5256 -5.5256 -2.3673 -2.3673 -2.2460 -2.2460 3.3227 3.3227 3.3809 3.3809 4.0663 4.0663 4.4825 4.4825 4.8917 4.8917 5.0695 5.0695 8.8260 8.8260 9.0448 9.0448 10.3666 10.3666 10.8835 10.8835 k = 0.3056 0.5292 0.2881 ( 6472 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6887 -35.6887 -35.6879 -35.6879 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7282 -20.7282 -7.5528 -7.5528 -5.7345 -5.7345 -5.5240 -5.5240 -2.3859 -2.3859 -2.2316 -2.2316 3.3115 3.3115 3.3726 3.3726 4.0833 4.0833 4.5119 4.5119 4.8722 4.8722 5.1026 5.1026 8.7861 8.7861 9.0546 9.0546 10.3531 10.3531 10.8943 10.8943 k = 0.2986 0.5172 0.2881 ( 6472 PWs) bands (ev): -68.7464 -68.7464 -68.7462 -68.7462 -35.6888 -35.6888 -35.6878 -35.6878 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7285 -20.7285 -7.5520 -7.5520 -5.7338 -5.7338 -5.5220 -5.5220 -2.4048 -2.4048 -2.2181 -2.2181 3.2990 3.2990 3.3634 3.3634 4.1045 4.1045 4.5474 4.5474 4.8564 4.8564 5.1355 5.1355 8.7476 8.7476 9.0564 9.0564 10.3389 10.3389 10.9012 10.9012 k = 0.2917 0.5052 0.2881 ( 6476 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6889 -35.6889 -35.6877 -35.6877 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7289 -20.7289 -7.5511 -7.5511 -5.7327 -5.7327 -5.5199 -5.5199 -2.4239 -2.4239 -2.2058 -2.2058 3.2863 3.2863 3.3536 3.3536 4.1296 4.1296 4.5879 4.5879 4.8444 4.8444 5.1679 5.1679 8.7107 8.7107 9.0515 9.0515 10.3246 10.3246 10.9005 10.9005 k = 0.2847 0.4932 0.2881 ( 6484 PWs) bands (ev): -68.7465 -68.7465 -68.7462 -68.7462 -35.6891 -35.6891 -35.6875 -35.6875 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7293 -20.7293 -7.5498 -7.5498 -5.7312 -5.7312 -5.5176 -5.5176 -2.4431 -2.4431 -2.1950 -2.1950 3.2743 3.2743 3.3437 3.3437 4.1581 4.1581 4.6322 4.6322 4.8361 4.8361 5.1997 5.1997 8.6758 8.6758 9.0414 9.0414 10.3111 10.3111 10.8895 10.8895 k = 0.2778 0.4811 0.2881 ( 6488 PWs) bands (ev): -68.7465 -68.7465 -68.7461 -68.7461 -35.6892 -35.6892 -35.6874 -35.6874 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7299 -20.7299 -7.5483 -7.5483 -5.7293 -5.7293 -5.5151 -5.5151 -2.4621 -2.4621 -2.1858 -2.1858 3.2640 3.2640 3.3340 3.3340 4.1898 4.1898 4.6794 4.6794 4.8317 4.8317 5.2306 5.2306 8.6429 8.6429 9.0274 9.0274 10.2990 10.2990 10.8668 10.8668 k = 0.2708 0.4691 0.2881 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6893 -35.6893 -35.6873 -35.6873 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7305 -20.7305 -7.5466 -7.5466 -5.7270 -5.7270 -5.5126 -5.5126 -2.4809 -2.4809 -2.1784 -2.1784 3.2562 3.2562 3.3246 3.3246 4.2242 4.2242 4.7287 4.7287 4.8311 4.8311 5.2603 5.2603 8.6122 8.6122 9.0110 9.0110 10.2885 10.2885 10.8334 10.8334 k = 0.2639 0.4571 0.2881 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7461 -68.7461 -35.6894 -35.6894 -35.6872 -35.6872 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3934 -35.3934 -20.7312 -20.7312 -7.5445 -7.5445 -5.7243 -5.7243 -5.5101 -5.5101 -2.4994 -2.4994 -2.1729 -2.1729 3.2515 3.2515 3.3160 3.3160 4.2613 4.2613 4.7782 4.7782 4.8352 4.8352 5.2886 5.2886 8.5840 8.5840 8.9934 8.9934 10.2799 10.2799 10.7912 10.7912 k = 0.2569 0.4450 0.2881 ( 6468 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6895 -35.6895 -35.6870 -35.6870 -35.4070 -35.4070 -35.4038 -35.4038 -35.3965 -35.3965 -35.3934 -35.3934 -20.7320 -20.7320 -7.5422 -7.5422 -5.7211 -5.7211 -5.5076 -5.5076 -2.5176 -2.5176 -2.1693 -2.1693 3.2502 3.2502 3.3084 3.3084 4.3007 4.3007 4.8210 4.8210 4.8503 4.8503 5.3153 5.3153 8.5584 8.5584 8.9757 8.9757 10.2734 10.2734 10.7428 10.7428 k = 0.2500 0.4330 0.2881 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3934 -35.3934 -20.7329 -20.7329 -7.5396 -7.5396 -5.7175 -5.7175 -5.5050 -5.5050 -2.5354 -2.5354 -2.1677 -2.1677 3.2525 3.2525 3.3024 3.3024 4.3422 4.3422 4.8404 4.8404 4.8921 4.8921 5.3403 5.3403 8.5355 8.5355 8.9587 8.9587 10.2688 10.2688 10.6908 10.6908 k = 0.2431 0.4210 0.2881 ( 6472 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6897 -35.6897 -35.6868 -35.6868 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3934 -35.3934 -20.7339 -20.7339 -7.5367 -7.5367 -5.7135 -5.7135 -5.5024 -5.5024 -2.5528 -2.5528 -2.1681 -2.1681 3.2581 3.2581 3.2987 3.2987 4.3857 4.3857 4.8537 4.8537 4.9427 4.9427 5.3634 5.3634 8.5155 8.5155 8.9433 8.9433 10.2659 10.2659 10.6372 10.6372 k = 0.2361 0.4090 0.2881 ( 6458 PWs) bands (ev): -68.7467 -68.7467 -68.7460 -68.7460 -35.6898 -35.6898 -35.6867 -35.6867 -35.4071 -35.4071 -35.4037 -35.4037 -35.3965 -35.3965 -35.3933 -35.3933 -20.7349 -20.7349 -7.5335 -7.5335 -5.7092 -5.7092 -5.4997 -5.4997 -2.5697 -2.5697 -2.1706 -2.1706 3.2656 3.2656 3.2992 3.2992 4.4311 4.4311 4.8683 4.8683 4.9938 4.9938 5.3845 5.3845 8.4986 8.4986 8.9301 8.9301 10.2645 10.2645 10.5836 10.5836 k = 0.2292 0.3969 0.2881 ( 6458 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6899 -35.6899 -35.6865 -35.6865 -35.4071 -35.4071 -35.4036 -35.4036 -35.3965 -35.3965 -35.3933 -35.3933 -20.7360 -20.7360 -7.5301 -7.5301 -5.7045 -5.7045 -5.4970 -5.4970 -2.5861 -2.5861 -2.1751 -2.1751 3.2717 3.2717 3.3074 3.3074 4.4782 4.4782 4.8849 4.8849 5.0440 5.0440 5.4037 5.4037 8.4849 8.4849 8.9195 8.9195 10.2638 10.2638 10.5313 10.5313 k = 0.2222 0.3849 0.2881 ( 6466 PWs) bands (ev): -68.7467 -68.7467 -68.7459 -68.7459 -35.6900 -35.6900 -35.6864 -35.6864 -35.4072 -35.4072 -35.4036 -35.4036 -35.3966 -35.3966 -35.3933 -35.3933 -20.7372 -20.7372 -7.5264 -7.5264 -5.6995 -5.6995 -5.4941 -5.4941 -2.6020 -2.6020 -2.1817 -2.1817 3.2751 3.2751 3.3249 3.3249 4.5268 4.5268 4.9033 4.9033 5.0923 5.0923 5.4210 5.4210 8.4746 8.4746 8.9119 8.9119 10.2630 10.2630 10.4812 10.4812 k = 0.2153 0.3729 0.2881 ( 6466 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6901 -35.6901 -35.6863 -35.6863 -35.4072 -35.4072 -35.4035 -35.4035 -35.3966 -35.3966 -35.3932 -35.3932 -20.7385 -20.7385 -7.5224 -7.5224 -5.6944 -5.6944 -5.4911 -5.4911 -2.6174 -2.6174 -2.1903 -2.1903 3.2778 3.2778 3.3498 3.3498 4.5768 4.5768 4.9236 4.9236 5.1380 5.1380 5.4368 5.4368 8.4678 8.4678 8.9075 8.9075 10.2609 10.2609 10.4341 10.4341 k = 0.2083 0.3608 0.2881 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7459 -68.7459 -35.6903 -35.6903 -35.6862 -35.6862 -35.4072 -35.4072 -35.4035 -35.4035 -35.3967 -35.3967 -35.3932 -35.3932 -20.7398 -20.7398 -7.5183 -7.5183 -5.6890 -5.6890 -5.4878 -5.4878 -2.6322 -2.6322 -2.2007 -2.2007 3.2813 3.2813 3.3807 3.3807 4.6280 4.6280 4.9455 4.9455 5.1801 5.1801 5.4514 5.4514 8.4647 8.4647 8.9064 8.9064 10.2560 10.2560 10.3905 10.3905 k = 0.2014 0.3488 0.2881 ( 6470 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6904 -35.6904 -35.6861 -35.6861 -35.4073 -35.4073 -35.4034 -35.4034 -35.3967 -35.3967 -35.3931 -35.3931 -20.7412 -20.7412 -7.5139 -7.5139 -5.6836 -5.6836 -5.4842 -5.4842 -2.6464 -2.6464 -2.2130 -2.2130 3.2863 3.2863 3.4170 3.4170 4.6803 4.6803 4.9689 4.9689 5.2177 5.2177 5.4657 5.4657 8.4653 8.4653 8.9085 8.9085 10.2467 10.2467 10.3509 10.3509 k = 0.1944 0.3368 0.2881 ( 6476 PWs) bands (ev): -68.7468 -68.7468 -68.7458 -68.7458 -35.6905 -35.6905 -35.6859 -35.6859 -35.4073 -35.4073 -35.4033 -35.4033 -35.3968 -35.3968 -35.3931 -35.3931 -20.7426 -20.7426 -7.5094 -7.5094 -5.6782 -5.6782 -5.4801 -5.4801 -2.6601 -2.6601 -2.2271 -2.2271 3.2930 3.2930 3.4583 3.4583 4.7334 4.7334 4.9937 4.9937 5.2496 5.2496 5.4805 5.4805 8.4697 8.4697 8.9138 8.9138 10.2314 10.2314 10.3155 10.3155 k = 0.1875 0.3248 0.2881 ( 6476 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6906 -35.6906 -35.6858 -35.6858 -35.4073 -35.4073 -35.4032 -35.4032 -35.3968 -35.3968 -35.3931 -35.3931 -20.7441 -20.7441 -7.5047 -7.5047 -5.6729 -5.6729 -5.4756 -5.4756 -2.6732 -2.6732 -2.2428 -2.2428 3.3017 3.3017 3.5043 3.5043 4.7870 4.7870 5.0197 5.0197 5.2747 5.2747 5.4967 5.4967 8.4781 8.4781 8.9218 8.9218 10.2090 10.2090 10.2845 10.2845 k = 0.1806 0.3127 0.2881 ( 6472 PWs) bands (ev): -68.7469 -68.7469 -68.7458 -68.7458 -35.6907 -35.6907 -35.6857 -35.6857 -35.4074 -35.4074 -35.4031 -35.4031 -35.3969 -35.3969 -35.3930 -35.3930 -20.7456 -20.7456 -7.4999 -7.4999 -5.6678 -5.6678 -5.4704 -5.4704 -2.6857 -2.6857 -2.2599 -2.2599 3.3122 3.3122 3.5548 3.5548 4.8407 4.8407 5.0471 5.0471 5.2923 5.2923 5.5151 5.5151 8.4904 8.4904 8.9321 8.9321 10.1793 10.1793 10.2576 10.2576 k = 0.1736 0.3007 0.2881 ( 6458 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6907 -35.6907 -35.6856 -35.6856 -35.4074 -35.4074 -35.4030 -35.4030 -35.3970 -35.3970 -35.3929 -35.3929 -20.7472 -20.7472 -7.4951 -7.4951 -5.6630 -5.6630 -5.4647 -5.4647 -2.6977 -2.6977 -2.2785 -2.2785 3.3247 3.3247 3.6096 3.6096 4.8939 4.8939 5.0761 5.0761 5.3025 5.3025 5.5355 5.5355 8.5067 8.5067 8.9443 8.9443 10.1428 10.1428 10.2345 10.2345 k = 0.1667 0.2887 0.2881 ( 6452 PWs) bands (ev): -68.7469 -68.7469 -68.7457 -68.7457 -35.6908 -35.6908 -35.6855 -35.6855 -35.4074 -35.4074 -35.4029 -35.4029 -35.3970 -35.3970 -35.3929 -35.3929 -20.7487 -20.7487 -7.4902 -7.4902 -5.6585 -5.6585 -5.4581 -5.4581 -2.7091 -2.7091 -2.2983 -2.2983 3.3391 3.3391 3.6683 3.6683 4.9458 4.9458 5.1071 5.1071 5.3060 5.3060 5.5573 5.5573 8.5268 8.5268 8.9575 8.9575 10.1011 10.1011 10.2138 10.2138 k = 0.1597 0.2766 0.2881 ( 6460 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6909 -35.6909 -35.6853 -35.6853 -35.4075 -35.4075 -35.4029 -35.4029 -35.3971 -35.3971 -35.3928 -35.3928 -20.7503 -20.7503 -7.4853 -7.4853 -5.6544 -5.6544 -5.4508 -5.4508 -2.7200 -2.7200 -2.3191 -2.3191 3.3553 3.3553 3.7307 3.7307 4.9955 4.9955 5.1406 5.1406 5.3042 5.3042 5.5796 5.5796 8.5507 8.5507 8.9710 8.9710 10.0557 10.0557 10.1934 10.1934 k = 0.1528 0.2646 0.2881 ( 6448 PWs) bands (ev): -68.7470 -68.7470 -68.7457 -68.7457 -35.6910 -35.6910 -35.6852 -35.6852 -35.4075 -35.4075 -35.4027 -35.4027 -35.3972 -35.3972 -35.3928 -35.3928 -20.7519 -20.7519 -7.4804 -7.4804 -5.6508 -5.6508 -5.4427 -5.4427 -2.7303 -2.7303 -2.3409 -2.3409 3.3733 3.3733 3.7963 3.7963 5.0419 5.0419 5.1774 5.1774 5.2984 5.2984 5.6014 5.6014 8.5782 8.5782 8.9839 8.9839 10.0085 10.0085 10.1709 10.1709 k = 0.1458 0.2526 0.2881 ( 6448 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6911 -35.6911 -35.6851 -35.6851 -35.4076 -35.4076 -35.4026 -35.4026 -35.3973 -35.3973 -35.3927 -35.3927 -20.7536 -20.7536 -7.4756 -7.4756 -5.6476 -5.6476 -5.4337 -5.4337 -2.7401 -2.7401 -2.3634 -2.3634 3.3929 3.3929 3.8648 3.8648 5.0841 5.0841 5.2174 5.2174 5.2901 5.2901 5.6220 5.6220 8.6090 8.6090 8.9953 8.9953 9.9609 9.9609 10.1457 10.1457 k = 0.1389 0.2406 0.2881 ( 6444 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6850 -35.6850 -35.4076 -35.4076 -35.4025 -35.4025 -35.3974 -35.3974 -35.3927 -35.3927 -20.7552 -20.7552 -7.4708 -7.4708 -5.6450 -5.6450 -5.4240 -5.4240 -2.7494 -2.7494 -2.3865 -2.3865 3.4140 3.4140 3.9355 3.9355 5.1221 5.1221 5.2562 5.2562 5.2849 5.2849 5.6410 5.6410 8.6428 8.6428 9.0042 9.0042 9.9143 9.9143 10.1196 10.1196 k = 0.1319 0.2285 0.2881 ( 6440 PWs) bands (ev): -68.7470 -68.7470 -68.7456 -68.7456 -35.6912 -35.6912 -35.6849 -35.6849 -35.4077 -35.4077 -35.4024 -35.4024 -35.3975 -35.3975 -35.3926 -35.3926 -20.7568 -20.7568 -7.4662 -7.4662 -5.6427 -5.6427 -5.4135 -5.4135 -2.7582 -2.7582 -2.4101 -2.4101 3.4363 3.4363 4.0080 4.0080 5.1562 5.1562 5.2612 5.2612 5.3153 5.3153 5.6581 5.6581 8.6792 8.6792 9.0096 9.0096 9.8698 9.8698 10.0947 10.0947 k = 0.1250 0.2165 0.2881 ( 6434 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6913 -35.6913 -35.6848 -35.6848 -35.4077 -35.4077 -35.4023 -35.4023 -35.3976 -35.3976 -35.3926 -35.3926 -20.7583 -20.7583 -7.4617 -7.4617 -5.6410 -5.6410 -5.4024 -5.4024 -2.7664 -2.7664 -2.4339 -2.4339 3.4598 3.4598 4.0813 4.0813 5.1872 5.1872 5.2515 5.2515 5.3624 5.3624 5.6731 5.6731 8.7175 8.7175 9.0109 9.0109 9.8284 9.8284 10.0719 10.0719 k = 0.1181 0.2045 0.2881 ( 6442 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6914 -35.6914 -35.6847 -35.6847 -35.4077 -35.4077 -35.4022 -35.4022 -35.3977 -35.3977 -35.3925 -35.3925 -20.7599 -20.7599 -7.4574 -7.4574 -5.6396 -5.6396 -5.3908 -5.3908 -2.7741 -2.7741 -2.4578 -2.4578 3.4842 3.4842 4.1547 4.1547 5.2136 5.2136 5.2444 5.2444 5.4110 5.4110 5.6861 5.6861 8.7571 8.7571 9.0074 9.0074 9.7910 9.7910 10.0518 10.0518 k = 0.1111 0.1925 0.2881 ( 6442 PWs) bands (ev): -68.7471 -68.7471 -68.7456 -68.7456 -35.6915 -35.6915 -35.6846 -35.6846 -35.4078 -35.4078 -35.4020 -35.4020 -35.3978 -35.3978 -35.3925 -35.3925 -20.7614 -20.7614 -7.4533 -7.4533 -5.6386 -5.6386 -5.3787 -5.3787 -2.7814 -2.7814 -2.4816 -2.4816 3.5092 3.5092 4.2270 4.2270 5.2232 5.2232 5.2548 5.2548 5.4590 5.4590 5.6970 5.6970 8.7973 8.7973 8.9985 8.9985 9.7585 9.7585 10.0336 10.0336 k = 0.1042 0.1804 0.2881 ( 6434 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6915 -35.6915 -35.6845 -35.6845 -35.4078 -35.4078 -35.4019 -35.4019 -35.3979 -35.3979 -35.3924 -35.3924 -20.7629 -20.7629 -7.4494 -7.4494 -5.6379 -5.6379 -5.3663 -5.3663 -2.7881 -2.7881 -2.5052 -2.5052 3.5346 3.5346 4.2968 4.2968 5.2209 5.2209 5.2800 5.2800 5.5055 5.5055 5.7061 5.7061 8.8372 8.8372 8.9843 8.9843 9.7316 9.7316 10.0156 10.0156 k = 0.0972 0.1684 0.2881 ( 6442 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6845 -35.6845 -35.4079 -35.4079 -35.4018 -35.4018 -35.3980 -35.3980 -35.3924 -35.3924 -20.7643 -20.7643 -7.4457 -7.4457 -5.6374 -5.6374 -5.3537 -5.3537 -2.7943 -2.7943 -2.5284 -2.5284 3.5602 3.5602 4.3627 4.3627 5.2212 5.2212 5.3072 5.3072 5.5496 5.5496 5.7134 5.7134 8.8756 8.8756 8.9647 8.9647 9.7106 9.7106 9.9944 9.9944 k = 0.0903 0.1564 0.2881 ( 6434 PWs) bands (ev): -68.7471 -68.7471 -68.7455 -68.7455 -35.6916 -35.6916 -35.6844 -35.6844 -35.4079 -35.4079 -35.4017 -35.4017 -35.3981 -35.3981 -35.3923 -35.3923 -20.7656 -20.7656 -7.4423 -7.4423 -5.6372 -5.6372 -5.3411 -5.3411 -2.8001 -2.8001 -2.5509 -2.5509 3.5856 3.5856 4.4227 4.4227 5.2276 5.2276 5.3348 5.3348 5.5908 5.5908 5.7192 5.7192 8.9090 8.9090 8.9429 8.9429 9.6955 9.6955 9.9636 9.9636 k = 0.0833 0.1443 0.2881 ( 6450 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4079 -35.4079 -35.4015 -35.4015 -35.3982 -35.3982 -35.3923 -35.3923 -20.7669 -20.7669 -7.4391 -7.4391 -5.6371 -5.6371 -5.3286 -5.3286 -2.8053 -2.8053 -2.5727 -2.5727 3.6106 3.6106 4.4753 4.4753 5.2418 5.2418 5.3627 5.3627 5.6284 5.6284 5.7237 5.7237 8.9015 8.9015 8.9541 8.9541 9.6856 9.6856 9.9159 9.9159 k = 0.0764 0.1323 0.2881 ( 6458 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6917 -35.6917 -35.6843 -35.6843 -35.4080 -35.4080 -35.4014 -35.4014 -35.3984 -35.3984 -35.3923 -35.3923 -20.7681 -20.7681 -7.4361 -7.4361 -5.6372 -5.6372 -5.3164 -5.3164 -2.8100 -2.8100 -2.5936 -2.5936 3.6348 3.6348 4.5190 4.5190 5.2649 5.2649 5.3908 5.3908 5.6618 5.6618 5.7272 5.7272 8.8663 8.8663 8.9854 8.9854 9.6796 9.6796 9.8525 9.8525 k = 0.0694 0.1203 0.2881 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4013 -35.4013 -35.3985 -35.3985 -35.3923 -35.3923 -20.7692 -20.7692 -7.4334 -7.4334 -5.6374 -5.6374 -5.3046 -5.3046 -2.8142 -2.8142 -2.6135 -2.6135 3.6581 3.6581 4.5532 4.5532 5.2971 5.2971 5.4193 5.4193 5.6905 5.6905 5.7300 5.7300 8.8246 8.8246 9.0162 9.0162 9.6747 9.6747 9.7831 9.7831 k = 0.0625 0.1083 0.2881 ( 6454 PWs) bands (ev): -68.7472 -68.7472 -68.7455 -68.7455 -35.6918 -35.6918 -35.6842 -35.6842 -35.4080 -35.4080 -35.4011 -35.4011 -35.3986 -35.3986 -35.3922 -35.3922 -20.7703 -20.7703 -7.4310 -7.4310 -5.6376 -5.6376 -5.2934 -5.2934 -2.8179 -2.8179 -2.6321 -2.6321 3.6801 3.6801 4.5782 4.5782 5.3373 5.3373 5.4479 5.4479 5.7132 5.7132 5.7333 5.7333 8.7781 8.7781 9.0462 9.0462 9.6650 9.6650 9.7188 9.7188 k = 0.0556 0.0962 0.2881 ( 6452 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4080 -35.4080 -35.4010 -35.4010 -35.3987 -35.3987 -35.3922 -35.3922 -20.7712 -20.7712 -7.4288 -7.4288 -5.6379 -5.6379 -5.2829 -5.2829 -2.8211 -2.8211 -2.6493 -2.6493 3.7006 3.7006 4.5952 4.5952 5.3836 5.3836 5.4767 5.4767 5.7259 5.7259 5.7411 5.7411 8.7280 8.7280 9.0760 9.0760 9.6323 9.6323 9.6794 9.6794 k = 0.0486 0.0842 0.2881 ( 6456 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6841 -35.6841 -35.4081 -35.4081 -35.4009 -35.4009 -35.3989 -35.3989 -35.3922 -35.3922 -20.7721 -20.7721 -7.4269 -7.4269 -5.6382 -5.6382 -5.2732 -5.2732 -2.8238 -2.8238 -2.6650 -2.6650 3.7192 3.7192 4.6058 4.6058 5.4333 5.4333 5.5054 5.5054 5.7294 5.7294 5.7528 5.7528 8.6758 8.6758 9.1066 9.1066 9.5817 9.5817 9.6594 9.6594 k = 0.0417 0.0722 0.2881 ( 6462 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6919 -35.6919 -35.6840 -35.6840 -35.4081 -35.4081 -35.4007 -35.4007 -35.3990 -35.3990 -35.3922 -35.3922 -20.7728 -20.7728 -7.4252 -7.4252 -5.6385 -5.6385 -5.2645 -5.2645 -2.8261 -2.8261 -2.6790 -2.6790 3.7359 3.7359 4.6116 4.6116 5.4836 5.4836 5.5337 5.5337 5.7308 5.7308 5.7616 5.7616 8.6235 8.6235 9.1388 9.1388 9.5346 9.5346 9.6367 9.6367 k = 0.0347 0.0601 0.2881 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4006 -35.4006 -35.3991 -35.3991 -35.3921 -35.3921 -20.7734 -20.7734 -7.4238 -7.4238 -5.6387 -5.6387 -5.2570 -5.2570 -2.8278 -2.8278 -2.6912 -2.6912 3.7503 3.7503 4.6142 4.6142 5.5314 5.5314 5.5613 5.5613 5.7316 5.7316 5.7663 5.7663 8.5733 8.5733 9.1734 9.1734 9.4949 9.4949 9.6073 9.6073 k = 0.0278 0.0481 0.2881 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6840 -35.6840 -35.4081 -35.4081 -35.4005 -35.4005 -35.3992 -35.3992 -35.3921 -35.3921 -20.7740 -20.7740 -7.4227 -7.4227 -5.6390 -5.6390 -5.2506 -5.2506 -2.8292 -2.8292 -2.7014 -2.7014 3.7624 3.7624 4.6149 4.6149 5.5738 5.5738 5.5877 5.5877 5.7322 5.7322 5.7672 5.7672 8.5277 8.5277 9.2106 9.2106 9.4629 9.4629 9.5714 9.5714 k = 0.0208 0.0361 0.2881 ( 6466 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4004 -35.4004 -35.3994 -35.3994 -35.3921 -35.3921 -20.7744 -20.7744 -7.4218 -7.4218 -5.6392 -5.6392 -5.2456 -5.2456 -2.8302 -2.8302 -2.7095 -2.7095 3.7719 3.7719 4.6145 4.6145 5.6064 5.6064 5.6144 5.6144 5.7321 5.7321 5.7658 5.7658 8.4891 8.4891 9.2506 9.2506 9.4385 9.4385 9.5305 9.5305 k = 0.0139 0.0241 0.2881 ( 6470 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4003 -35.4003 -35.3995 -35.3995 -35.3921 -35.3921 -20.7747 -20.7747 -7.4212 -7.4212 -5.6393 -5.6393 -5.2420 -5.2420 -2.8308 -2.8308 -2.7154 -2.7154 3.7788 3.7788 4.6138 4.6138 5.6271 5.6271 5.6403 5.6403 5.7300 5.7300 5.7640 5.7640 8.4597 8.4597 9.2929 9.2929 9.4212 9.4212 9.4864 9.4864 k = 0.0069 0.0120 0.2881 ( 6460 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7748 -20.7748 -7.4208 -7.4208 -5.6394 -5.6394 -5.2397 -5.2397 -2.8312 -2.8312 -2.7190 -2.7190 3.7829 3.7829 4.6131 4.6131 5.6397 5.6397 5.6589 5.6589 5.7257 5.7257 5.7634 5.7634 8.4413 8.4413 9.3361 9.3361 9.4099 9.4099 9.4426 9.4426 k = 0.0000 0.0000 0.2881 ( 6444 PWs) bands (ev): -68.7472 -68.7472 -68.7454 -68.7454 -35.6920 -35.6920 -35.6839 -35.6839 -35.4082 -35.4082 -35.4002 -35.4002 -35.3995 -35.3995 -35.3921 -35.3921 -20.7749 -20.7749 -7.4207 -7.4207 -5.6394 -5.6394 -5.2390 -5.2390 -2.8313 -2.8313 -2.7202 -2.7202 3.7843 3.7843 4.6129 4.6129 5.6440 5.6440 5.6662 5.6662 5.7229 5.7229 5.7635 5.7635 8.4350 8.4350 9.3670 9.3670 9.3991 9.3991 9.4186 9.4186 k = 0.5000 0.2887 0.2881 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7664 -5.7664 -5.4203 -5.4203 -2.6586 -2.6586 -2.0424 -2.0424 2.9049 2.9049 3.1433 3.1433 4.4570 4.4570 4.6990 4.6990 5.7504 5.7504 5.8448 5.8448 7.5714 7.5714 8.6079 8.6079 9.7673 9.7673 10.4427 10.4427 k = 0.5000 0.2887 0.2743 ( 6462 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7664 -5.7664 -5.4203 -5.4203 -2.6578 -2.6578 -2.0433 -2.0433 2.9045 2.9045 3.1433 3.1433 4.4603 4.4603 4.7002 4.7002 5.7466 5.7466 5.8412 5.8412 7.5694 7.5694 8.6152 8.6152 9.7698 9.7698 10.4468 10.4468 k = 0.5000 0.2887 0.2606 ( 6470 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7665 -5.7665 -5.4202 -5.4202 -2.6556 -2.6556 -2.0461 -2.0461 2.9032 2.9032 3.1438 3.1438 4.4702 4.4702 4.7035 4.7035 5.7350 5.7350 5.8307 5.8307 7.5635 7.5635 8.6366 8.6366 9.7775 9.7775 10.4592 10.4592 k = 0.5000 0.2887 0.2469 ( 6478 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7666 -5.7666 -5.4202 -5.4202 -2.6518 -2.6518 -2.0506 -2.0506 2.9004 2.9004 3.1455 3.1455 4.4862 4.4862 4.7091 4.7091 5.7150 5.7150 5.8145 5.8145 7.5542 7.5542 8.6713 8.6713 9.7903 9.7903 10.4796 10.4796 k = 0.5000 0.2887 0.2332 ( 6492 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3963 -35.3963 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7667 -5.7667 -5.4201 -5.4201 -2.6465 -2.6465 -2.0568 -2.0568 2.8954 2.8954 3.1494 3.1494 4.5077 4.5077 4.7170 4.7170 5.6862 5.6862 5.7942 5.7942 7.5420 7.5420 8.7180 8.7180 9.8080 9.8080 10.5076 10.5076 k = 0.5000 0.2887 0.2195 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5495 -7.5495 -5.7669 -5.7669 -5.4201 -5.4201 -2.6398 -2.6398 -2.0648 -2.0648 2.8877 2.8877 3.1567 3.1567 4.5341 4.5341 4.7270 4.7270 5.6486 5.6486 5.7708 5.7708 7.5275 7.5275 8.7752 8.7752 9.8308 9.8308 10.5343 10.5343 k = 0.5000 0.2887 0.2058 ( 6468 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5496 -7.5496 -5.7671 -5.7671 -5.4200 -5.4200 -2.6316 -2.6316 -2.0744 -2.0744 2.8768 2.8768 3.1682 3.1682 4.5644 4.5644 4.7392 4.7392 5.6029 5.6029 5.7451 5.7451 7.5113 7.5113 8.8410 8.8410 9.8584 9.8584 10.5386 10.5386 k = 0.5000 0.2887 0.1920 ( 6468 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5496 -7.5496 -5.7674 -5.7674 -5.4199 -5.4199 -2.6221 -2.6221 -2.0855 -2.0855 2.8630 2.8630 3.1843 3.1843 4.5977 4.5977 4.7536 4.7536 5.5505 5.5505 5.7174 5.7174 7.4940 7.4940 8.9138 8.9138 9.8908 9.8908 10.5397 10.5397 k = 0.5000 0.2887 0.1783 ( 6464 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5496 -7.5496 -5.7676 -5.7676 -5.4198 -5.4198 -2.6113 -2.6113 -2.0981 -2.0981 2.8466 2.8466 3.2049 3.2049 4.6331 4.6331 4.7700 4.7700 5.4928 5.4928 5.6875 5.6875 7.4761 7.4761 8.9917 8.9917 9.9281 9.9281 10.5386 10.5386 k = 0.5000 0.2887 0.1646 ( 6458 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5497 -7.5497 -5.7679 -5.7679 -5.4196 -5.4196 -2.5992 -2.5992 -2.1120 -2.1120 2.8283 2.8283 3.2297 3.2297 4.6695 4.6695 4.7885 4.7885 5.4315 5.4315 5.6558 5.6558 7.4580 7.4580 9.0729 9.0729 9.9701 9.9701 10.5350 10.5350 k = 0.5000 0.2887 0.1509 ( 6456 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5497 -7.5497 -5.7682 -5.7682 -5.4195 -5.4195 -2.5860 -2.5860 -2.1271 -2.1271 2.8089 2.8089 3.2580 3.2580 4.7060 4.7060 4.8090 4.8090 5.3681 5.3681 5.6224 5.6224 7.4401 7.4401 9.1558 9.1558 10.0165 10.0165 10.5289 10.5289 k = 0.5000 0.2887 0.1372 ( 6454 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5498 -7.5498 -5.7684 -5.7684 -5.4194 -5.4194 -2.5718 -2.5718 -2.1433 -2.1433 2.7891 2.7891 3.2891 3.2891 4.7415 4.7415 4.8313 4.8313 5.3040 5.3040 5.5874 5.5874 7.4227 7.4227 9.2387 9.2387 10.0662 10.0662 10.5214 10.5214 k = 0.5000 0.2887 0.1235 ( 6460 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5498 -7.5498 -5.7687 -5.7687 -5.4193 -5.4193 -2.5566 -2.5566 -2.1604 -2.1604 2.7696 2.7696 3.3224 3.3224 4.7749 4.7749 4.8555 4.8555 5.2409 5.2409 5.5512 5.5512 7.4062 7.4062 9.3202 9.3202 10.1168 10.1168 10.5148 10.5148 k = 0.5000 0.2887 0.1097 ( 6454 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5498 -7.5498 -5.7690 -5.7690 -5.4192 -5.4192 -2.5405 -2.5405 -2.1783 -2.1783 2.7509 2.7509 3.3570 3.3570 4.8050 4.8050 4.8811 4.8811 5.1807 5.1807 5.5142 5.5142 7.3907 7.3907 9.3990 9.3990 10.1634 10.1634 10.5144 10.5144 k = 0.5000 0.2887 0.0960 ( 6450 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5499 -7.5499 -5.7693 -5.7693 -5.4190 -5.4190 -2.5239 -2.5239 -2.1967 -2.1967 2.7335 2.7335 3.3920 3.3920 4.8299 4.8299 4.9079 4.9079 5.1260 5.1260 5.4766 5.4766 7.3765 7.3765 9.4741 9.4741 10.1975 10.1975 10.5287 10.5287 k = 0.5000 0.2887 0.0823 ( 6458 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5499 -7.5499 -5.7695 -5.7695 -5.4189 -5.4189 -2.5068 -2.5068 -2.2153 -2.2153 2.7177 2.7177 3.4263 3.4263 4.8472 4.8472 4.9351 4.9351 5.0804 5.0804 5.4390 5.4390 7.3638 7.3638 9.5449 9.5449 10.2110 10.2110 10.5657 10.5657 k = 0.5000 0.2887 0.0686 ( 6462 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5499 -7.5499 -5.7697 -5.7697 -5.4189 -5.4189 -2.4896 -2.4896 -2.2339 -2.2339 2.7038 2.7038 3.4588 3.4588 4.8534 4.8534 4.9614 4.9614 5.0491 5.0491 5.4019 5.4019 7.3527 7.3527 9.6109 9.6109 10.2034 10.2034 10.6250 10.6250 k = 0.5000 0.2887 0.0549 ( 6458 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3934 -35.3934 -20.7329 -20.7329 -7.5500 -7.5500 -5.7699 -5.7699 -5.4188 -5.4188 -2.4727 -2.4727 -2.2519 -2.2519 2.6922 2.6922 3.4881 3.4881 4.8468 4.8468 4.9841 4.9841 5.0369 5.0369 5.3662 5.3662 7.3435 7.3435 9.6715 9.6715 10.1813 10.1813 10.6986 10.6986 k = 0.5000 0.2887 0.0412 ( 6472 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7700 -5.7700 -5.4187 -5.4187 -2.4570 -2.4570 -2.2686 -2.2686 2.6829 2.6829 3.5130 3.5130 4.8314 4.8314 4.9990 4.9990 5.0440 5.0440 5.3329 5.3329 7.3362 7.3362 9.7258 9.7258 10.1518 10.1518 10.7765 10.7765 k = 0.5000 0.2887 0.0274 ( 6474 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7701 -5.7701 -5.4187 -5.4187 -2.4434 -2.4434 -2.2829 -2.2829 2.6762 2.6762 3.5319 3.5319 4.8147 4.8147 5.0071 5.0071 5.0610 5.0610 5.3043 5.3043 7.3309 7.3309 9.7714 9.7714 10.1215 10.1215 10.8477 10.8477 k = 0.5000 0.2887 0.0137 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7702 -5.7702 -5.4186 -5.4186 -2.4338 -2.4338 -2.2929 -2.2929 2.6721 2.6721 3.5439 3.5439 4.8027 4.8027 5.0117 5.0117 5.0764 5.0764 5.2837 5.2837 7.3278 7.3278 9.8038 9.8038 10.0975 10.0975 10.8997 10.8997 k = 0.5000 0.2887-0.0000 ( 6476 PWs) bands (ev): -68.7466 -68.7466 -68.7460 -68.7460 -35.6896 -35.6896 -35.6869 -35.6869 -35.4069 -35.4069 -35.4041 -35.4041 -35.3962 -35.3962 -35.3935 -35.3935 -20.7329 -20.7329 -7.5500 -7.5500 -5.7702 -5.7702 -5.4186 -5.4186 -2.4303 -2.4303 -2.2965 -2.2965 2.6708 2.6708 3.5480 3.5480 4.7984 4.7984 5.0132 5.0132 5.0826 5.0826 5.2760 5.2760 7.3267 7.3267 9.8160 9.8160 10.0880 10.0880 10.9191 10.9191 k = 0.3333 0.5774-0.0000 ( 6474 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7387 -5.7387 -5.5278 -5.5278 -2.3119 -2.3119 -2.2576 -2.2576 3.1604 3.1604 3.1654 3.1654 3.5489 3.5489 5.0994 5.0994 5.2235 5.2235 5.2437 5.2437 9.6665 9.6665 9.6719 9.6719 9.7044 9.7044 10.2819 10.2819 k = 0.3333 0.5774 0.0137 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7387 -5.7387 -5.5278 -5.5278 -2.3120 -2.3120 -2.2578 -2.2578 3.1615 3.1615 3.1662 3.1662 3.5505 3.5505 5.0979 5.0979 5.2210 5.2210 5.2424 5.2424 9.6554 9.6554 9.6608 9.6608 9.7072 9.7072 10.2964 10.2964 k = 0.3333 0.5774 0.0274 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7386 -5.7386 -5.5278 -5.5278 -2.3123 -2.3123 -2.2581 -2.2581 3.1649 3.1649 3.1689 3.1689 3.5553 3.5553 5.0933 5.0933 5.2137 5.2137 5.2385 5.2385 9.6251 9.6251 9.6295 9.6295 9.7164 9.7164 10.3371 10.3371 k = 0.3333 0.5774 0.0412 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7385 -5.7385 -5.5278 -5.5278 -2.3127 -2.3127 -2.2588 -2.2588 3.1705 3.1705 3.1732 3.1732 3.5632 3.5632 5.0854 5.0854 5.2019 5.2019 5.2319 5.2319 9.5815 9.5815 9.5843 9.5843 9.7319 9.7319 10.3979 10.3979 k = 0.3333 0.5774 0.0549 ( 6474 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7384 -5.7384 -5.5278 -5.5278 -2.3133 -2.3133 -2.2596 -2.2596 3.1783 3.1783 3.1792 3.1792 3.5743 3.5743 5.0738 5.0738 5.1866 5.1866 5.2230 5.2230 9.5306 9.5306 9.5311 9.5311 9.7533 9.7533 10.4728 10.4728 k = 0.3333 0.5774 0.0686 ( 6477 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5544 -7.5544 -5.7382 -5.7382 -5.5278 -5.5278 -2.3141 -2.3141 -2.2607 -2.2607 3.1868 3.1868 3.1881 3.1881 3.5885 3.5885 5.0577 5.0577 5.1687 5.1687 5.2117 5.2117 9.4743 9.4743 9.4764 9.4764 9.7803 9.7803 10.5576 10.5576 k = 0.3333 0.5774 0.0823 ( 6486 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5543 -7.5543 -5.7381 -5.7381 -5.5278 -5.5278 -2.3150 -2.3150 -2.2619 -2.2619 3.1957 3.1957 3.1997 3.1997 3.6057 3.6057 5.0364 5.0364 5.1496 5.1496 5.1982 5.1982 9.4166 9.4166 9.4215 9.4215 9.8122 9.8122 10.6495 10.6495 k = 0.3333 0.5774 0.0960 ( 6489 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5543 -7.5543 -5.7379 -5.7379 -5.5278 -5.5278 -2.3160 -2.3160 -2.2633 -2.2633 3.2058 3.2058 3.2130 3.2130 3.6259 3.6259 5.0093 5.0093 5.1304 5.1304 5.1828 5.1828 9.3598 9.3598 9.3677 9.3677 9.8484 9.8484 10.7465 10.7466 k = 0.3333 0.5774 0.1097 ( 6489 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5543 -7.5543 -5.7376 -5.7376 -5.5278 -5.5278 -2.3171 -2.3171 -2.2649 -2.2649 3.2170 3.2170 3.2277 3.2277 3.6489 3.6489 4.9764 4.9764 5.1120 5.1120 5.1658 5.1658 9.3049 9.3049 9.3160 9.3160 9.8884 9.8884 10.8460 10.8474 k = 0.3333 0.5774 0.1235 ( 6489 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5542 -7.5542 -5.7374 -5.7374 -5.5279 -5.5279 -2.3182 -2.3182 -2.2665 -2.2665 3.2290 3.2290 3.2436 3.2436 3.6748 3.6748 4.9382 4.9382 5.0945 5.0945 5.1475 5.1475 9.2527 9.2527 9.2671 9.2671 9.9314 9.9314 10.9218 10.9218 k = 0.3333 0.5774 0.1372 ( 6495 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5542 -7.5542 -5.7371 -5.7371 -5.5279 -5.5279 -2.3194 -2.3194 -2.2682 -2.2682 3.2416 3.2416 3.2604 3.2604 3.7033 3.7033 4.8955 4.8955 5.0778 5.0778 5.1281 5.1281 9.2036 9.2036 9.2214 9.2214 9.9769 9.9769 10.9510 10.9510 k = 0.3333 0.5774 0.1509 ( 6489 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5542 -7.5542 -5.7369 -5.7369 -5.5279 -5.5279 -2.3206 -2.3206 -2.2698 -2.2698 3.2545 3.2545 3.2777 3.2777 3.7343 3.7343 4.8493 4.8493 5.0619 5.0619 5.1082 5.1082 9.1582 9.1582 9.1793 9.1793 10.0241 10.0241 10.9616 10.9616 k = 0.3333 0.5774 0.1646 ( 6495 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5541 -7.5541 -5.7366 -5.7366 -5.5279 -5.5279 -2.3218 -2.3218 -2.2715 -2.2715 3.2674 3.2674 3.2952 3.2952 3.7675 3.7675 4.8006 4.8006 5.0466 5.0466 5.0881 5.0881 9.1166 9.1166 9.1409 9.1409 10.0723 10.0723 10.9654 10.9654 k = 0.3333 0.5774 0.1783 ( 6483 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5541 -7.5541 -5.7364 -5.7364 -5.5279 -5.5279 -2.3230 -2.3230 -2.2731 -2.2731 3.2801 3.2801 3.3125 3.3125 3.8027 3.8027 4.7502 4.7502 5.0322 5.0322 5.0683 5.0683 9.0790 9.0790 9.1064 9.1064 10.1209 10.1209 10.9636 10.9636 k = 0.3333 0.5774 0.1920 ( 6489 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5541 -7.5541 -5.7362 -5.7362 -5.5279 -5.5279 -2.3240 -2.3240 -2.2746 -2.2746 3.2922 3.2922 3.3291 3.3291 3.8395 3.8395 4.6990 4.6990 5.0187 5.0187 5.0492 5.0492 9.0456 9.0456 9.0759 9.0759 10.1690 10.1690 10.9566 10.9566 k = 0.3333 0.5774 0.2058 ( 6480 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5541 -7.5541 -5.7360 -5.7360 -5.5280 -5.5280 -2.3250 -2.3250 -2.2760 -2.2760 3.3035 3.3035 3.3447 3.3447 3.8773 3.8773 4.6479 4.6479 5.0064 5.0064 5.0313 5.0313 9.0165 9.0165 9.0494 9.0494 10.2159 10.2159 10.9449 10.9449 k = 0.3333 0.5774 0.2195 ( 6477 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7358 -5.7358 -5.5280 -5.5280 -2.3259 -2.3259 -2.2773 -2.2773 3.3136 3.3136 3.3588 3.3588 3.9154 3.9154 4.5981 4.5981 4.9954 4.9954 5.0152 5.0152 8.9918 8.9918 9.0269 9.0269 10.2604 10.2604 10.9294 10.9294 k = 0.3333 0.5774 0.2332 ( 6465 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7356 -5.7356 -5.5280 -5.5280 -2.3267 -2.3267 -2.2783 -2.2783 3.3223 3.3223 3.3710 3.3710 3.9525 3.9525 4.5509 4.5509 4.9861 4.9861 5.0013 5.0013 8.9715 8.9715 9.0086 9.0086 10.3012 10.3012 10.9115 10.9115 k = 0.3333 0.5774 0.2469 ( 6465 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7355 -5.7355 -5.5280 -5.5280 -2.3273 -2.3273 -2.2792 -2.2792 3.3294 3.3294 3.3809 3.3809 3.9870 3.9870 4.5085 4.5085 4.9786 4.9786 4.9900 4.9900 8.9557 8.9557 8.9943 8.9943 10.3366 10.3366 10.8934 10.8934 k = 0.3333 0.5774 0.2606 ( 6465 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4038 -35.4038 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7354 -5.7354 -5.5280 -5.5280 -2.3277 -2.3277 -2.2798 -2.2798 3.3346 3.3346 3.3883 3.3883 4.0162 4.0162 4.4735 4.4735 4.9730 4.9730 4.9816 4.9816 8.9444 8.9444 8.9841 8.9841 10.3646 10.3646 10.8774 10.8774 k = 0.3333 0.5774 0.2743 ( 6468 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6883 -35.6883 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7354 -5.7354 -5.5280 -5.5280 -2.3280 -2.3280 -2.2801 -2.2801 3.3377 3.3377 3.3928 3.3928 4.0363 4.0363 4.4499 4.4499 4.9696 4.9696 4.9764 4.9764 8.9376 8.9376 8.9780 8.9780 10.3828 10.3828 10.8664 10.8664 k = 0.3333 0.5774 0.2881 ( 6480 PWs) bands (ev): -68.7463 -68.7463 -68.7463 -68.7463 -35.6884 -35.6884 -35.6883 -35.6883 -35.4070 -35.4070 -35.4039 -35.4039 -35.3964 -35.3964 -35.3935 -35.3935 -20.7276 -20.7276 -7.5540 -7.5540 -5.7353 -5.7353 -5.5280 -5.5280 -2.3281 -2.3281 -2.2803 -2.2803 3.3388 3.3388 3.3943 3.3943 4.0435 4.0435 4.4414 4.4414 4.9685 4.9685 4.9747 4.9747 8.9353 8.9353 8.9760 8.9760 10.3891 10.3891 10.8624 10.8624 Writing output data file BaxMgPx2.save init_run : 0.37s CPU 0.52s WALL ( 1 calls) electrons : 157.78s CPU 160.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 157.78s CPU 160.09s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 300 calls) cegterg : 147.22s CPU 148.98s WALL ( 580 calls) Called by sum_band: Called by *egterg: h_psi : 82.84s CPU 84.15s WALL ( 9229 calls) s_psi : 4.98s CPU 4.97s WALL ( 9229 calls) g_psi : 0.28s CPU 0.29s WALL ( 8349 calls) cdiaghg : 46.84s CPU 47.79s WALL ( 8649 calls) cegterg:over : 6.39s CPU 6.40s WALL ( 8349 calls) cegterg:upda : 7.12s CPU 7.11s WALL ( 8349 calls) cegterg:last : 3.09s CPU 3.10s WALL ( 1180 calls) cdiaghg:chol : 2.56s CPU 2.72s WALL ( 8649 calls) cdiaghg:inve : 1.68s CPU 1.65s WALL ( 8649 calls) cdiaghg:para : 2.56s CPU 2.70s WALL ( 17298 calls) Called by h_psi: h_psi:vloc : 72.09s CPU 73.10s WALL ( 9229 calls) h_psi:vnl : 10.45s CPU 10.73s WALL ( 9229 calls) add_vuspsi : 5.19s CPU 5.35s WALL ( 9229 calls) General routines calbec : 5.22s CPU 5.36s WALL ( 9229 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.77s CPU 67.75s WALL ( 664312 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.26s WALL ( 600 calls) Parallel routines fft_scatter : 21.49s CPU 21.93s WALL ( 664335 calls) PWSCF : 2m56.21s CPU 3m 8.66s WALL This run was terminated on: 14: 7:42 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=