Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:24:42 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: ./SrAgP.save/ 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 35 24 7 1873 1084 171 Max 36 25 8 1882 1100 180 Sum 1261 871 253 67497 39277 6241 bravais-lattice index = 14 lattice parameter (alat) = 8.3318 a.u. unit-cell volume = 934.9904 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.331802 celldm(2)= 1.000000 celldm(3)= 1.866636 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 1.866636 ) 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 0.535723 ) PseudoPot. # 1 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Ag 11.00 107.86820 Ag( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0133931), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0267861), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0401792), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.0535723), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.0669654), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.0803584), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.0937515), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.1071446), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.1205377), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.1339307), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.1473238), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.1607169), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.1741100), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.1875030), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.2008961), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.2142892), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.2276823), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.2410753), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.2544684), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.2678615), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.2678615), wk = 0.0033670 k( 140) = ( 0.0119048 0.0068732 0.2678615), wk = 0.0033670 k( 141) = ( 0.0238095 0.0137464 0.2678615), wk = 0.0033670 k( 142) = ( 0.0357143 0.0206197 0.2678615), wk = 0.0033670 k( 143) = ( 0.0476191 0.0274929 0.2678615), wk = 0.0033670 k( 144) = ( 0.0595238 0.0343661 0.2678615), wk = 0.0033670 k( 145) = ( 0.0714286 0.0412393 0.2678615), wk = 0.0033670 k( 146) = ( 0.0833333 0.0481125 0.2678615), wk = 0.0033670 k( 147) = ( 0.0952381 0.0549857 0.2678615), wk = 0.0033670 k( 148) = ( 0.1071429 0.0618590 0.2678615), wk = 0.0033670 k( 149) = ( 0.1190476 0.0687322 0.2678615), wk = 0.0033670 k( 150) = ( 0.1309524 0.0756054 0.2678615), wk = 0.0033670 k( 151) = ( 0.1428571 0.0824786 0.2678615), wk = 0.0033670 k( 152) = ( 0.1547619 0.0893518 0.2678615), wk = 0.0033670 k( 153) = ( 0.1666667 0.0962250 0.2678615), wk = 0.0033670 k( 154) = ( 0.1785714 0.1030983 0.2678615), wk = 0.0033670 k( 155) = ( 0.1904762 0.1099715 0.2678615), wk = 0.0033670 k( 156) = ( 0.2023810 0.1168447 0.2678615), wk = 0.0033670 k( 157) = ( 0.2142857 0.1237179 0.2678615), wk = 0.0033670 k( 158) = ( 0.2261905 0.1305911 0.2678615), wk = 0.0033670 k( 159) = ( 0.2380952 0.1374644 0.2678615), wk = 0.0033670 k( 160) = ( 0.2500000 0.1443376 0.2678615), wk = 0.0033670 k( 161) = ( 0.2619048 0.1512108 0.2678615), wk = 0.0033670 k( 162) = ( 0.2738095 0.1580840 0.2678615), wk = 0.0033670 k( 163) = ( 0.2857143 0.1649572 0.2678615), wk = 0.0033670 k( 164) = ( 0.2976190 0.1718304 0.2678615), wk = 0.0033670 k( 165) = ( 0.3095238 0.1787037 0.2678615), wk = 0.0033670 k( 166) = ( 0.3214286 0.1855769 0.2678615), wk = 0.0033670 k( 167) = ( 0.3333333 0.1924501 0.2678615), wk = 0.0033670 k( 168) = ( 0.3452381 0.1993233 0.2678615), wk = 0.0033670 k( 169) = ( 0.3571429 0.2061965 0.2678615), wk = 0.0033670 k( 170) = ( 0.3690476 0.2130697 0.2678615), wk = 0.0033670 k( 171) = ( 0.3809524 0.2199430 0.2678615), wk = 0.0033670 k( 172) = ( 0.3928571 0.2268162 0.2678615), wk = 0.0033670 k( 173) = ( 0.4047619 0.2336894 0.2678615), wk = 0.0033670 k( 174) = ( 0.4166667 0.2405626 0.2678615), wk = 0.0033670 k( 175) = ( 0.4285714 0.2474358 0.2678615), wk = 0.0033670 k( 176) = ( 0.4404762 0.2543090 0.2678615), wk = 0.0033670 k( 177) = ( 0.4523810 0.2611823 0.2678615), wk = 0.0033670 k( 178) = ( 0.4642857 0.2680555 0.2678615), wk = 0.0033670 k( 179) = ( 0.4761905 0.2749287 0.2678615), wk = 0.0033670 k( 180) = ( 0.4880952 0.2818019 0.2678615), wk = 0.0033670 k( 181) = ( 0.5000000 0.2886751 0.2678615), wk = 0.0033670 k( 182) = ( 0.5000000 0.2886751 0.2678615), wk = 0.0033670 k( 183) = ( 0.4930556 0.3007033 0.2678615), wk = 0.0033670 k( 184) = ( 0.4861111 0.3127314 0.2678615), wk = 0.0033670 k( 185) = ( 0.4791667 0.3247595 0.2678615), wk = 0.0033670 k( 186) = ( 0.4722222 0.3367877 0.2678615), wk = 0.0033670 k( 187) = ( 0.4652778 0.3488158 0.2678615), wk = 0.0033670 k( 188) = ( 0.4583333 0.3608439 0.2678615), wk = 0.0033670 k( 189) = ( 0.4513889 0.3728720 0.2678615), wk = 0.0033670 k( 190) = ( 0.4444444 0.3849002 0.2678615), wk = 0.0033670 k( 191) = ( 0.4375000 0.3969283 0.2678615), wk = 0.0033670 k( 192) = ( 0.4305556 0.4089564 0.2678615), wk = 0.0033670 k( 193) = ( 0.4236111 0.4209846 0.2678615), wk = 0.0033670 k( 194) = ( 0.4166667 0.4330127 0.2678615), wk = 0.0033670 k( 195) = ( 0.4097222 0.4450408 0.2678615), wk = 0.0033670 k( 196) = ( 0.4027778 0.4570690 0.2678615), wk = 0.0033670 k( 197) = ( 0.3958333 0.4690971 0.2678615), wk = 0.0033670 k( 198) = ( 0.3888889 0.4811252 0.2678615), wk = 0.0033670 k( 199) = ( 0.3819444 0.4931534 0.2678615), wk = 0.0033670 k( 200) = ( 0.3750000 0.5051815 0.2678615), wk = 0.0033670 k( 201) = ( 0.3680556 0.5172096 0.2678615), wk = 0.0033670 k( 202) = ( 0.3611111 0.5292377 0.2678615), wk = 0.0033670 k( 203) = ( 0.3541667 0.5412659 0.2678615), wk = 0.0033670 k( 204) = ( 0.3472222 0.5532940 0.2678615), wk = 0.0033670 k( 205) = ( 0.3402778 0.5653221 0.2678615), wk = 0.0033670 k( 206) = ( 0.3333333 0.5773503 0.2678615), wk = 0.0033670 k( 207) = ( 0.3333333 0.5773503 0.2678615), wk = 0.0033670 k( 208) = ( 0.3263889 0.5653221 0.2678615), wk = 0.0033670 k( 209) = ( 0.3194444 0.5532940 0.2678615), wk = 0.0033670 k( 210) = ( 0.3125000 0.5412659 0.2678615), wk = 0.0033670 k( 211) = ( 0.3055556 0.5292378 0.2678615), wk = 0.0033670 k( 212) = ( 0.2986111 0.5172096 0.2678615), wk = 0.0033670 k( 213) = ( 0.2916667 0.5051815 0.2678615), wk = 0.0033670 k( 214) = ( 0.2847222 0.4931534 0.2678615), wk = 0.0033670 k( 215) = ( 0.2777778 0.4811252 0.2678615), wk = 0.0033670 k( 216) = ( 0.2708333 0.4690971 0.2678615), wk = 0.0033670 k( 217) = ( 0.2638889 0.4570690 0.2678615), wk = 0.0033670 k( 218) = ( 0.2569444 0.4450408 0.2678615), wk = 0.0033670 k( 219) = ( 0.2500000 0.4330127 0.2678615), wk = 0.0033670 k( 220) = ( 0.2430556 0.4209846 0.2678615), wk = 0.0033670 k( 221) = ( 0.2361111 0.4089564 0.2678615), wk = 0.0033670 k( 222) = ( 0.2291667 0.3969283 0.2678615), wk = 0.0033670 k( 223) = ( 0.2222222 0.3849002 0.2678615), wk = 0.0033670 k( 224) = ( 0.2152778 0.3728721 0.2678615), wk = 0.0033670 k( 225) = ( 0.2083333 0.3608439 0.2678615), wk = 0.0033670 k( 226) = ( 0.2013889 0.3488158 0.2678615), wk = 0.0033670 k( 227) = ( 0.1944444 0.3367876 0.2678615), wk = 0.0033670 k( 228) = ( 0.1875000 0.3247595 0.2678615), wk = 0.0033670 k( 229) = ( 0.1805556 0.3127314 0.2678615), wk = 0.0033670 k( 230) = ( 0.1736111 0.3007033 0.2678615), wk = 0.0033670 k( 231) = ( 0.1666667 0.2886751 0.2678615), wk = 0.0033670 k( 232) = ( 0.1597222 0.2766470 0.2678615), wk = 0.0033670 k( 233) = ( 0.1527778 0.2646189 0.2678615), wk = 0.0033670 k( 234) = ( 0.1458333 0.2525907 0.2678615), wk = 0.0033670 k( 235) = ( 0.1388889 0.2405626 0.2678615), wk = 0.0033670 k( 236) = ( 0.1319444 0.2285345 0.2678615), wk = 0.0033670 k( 237) = ( 0.1250000 0.2165064 0.2678615), wk = 0.0033670 k( 238) = ( 0.1180556 0.2044782 0.2678615), wk = 0.0033670 k( 239) = ( 0.1111111 0.1924501 0.2678615), wk = 0.0033670 k( 240) = ( 0.1041667 0.1804220 0.2678615), wk = 0.0033670 k( 241) = ( 0.0972222 0.1683938 0.2678615), wk = 0.0033670 k( 242) = ( 0.0902778 0.1563657 0.2678615), wk = 0.0033670 k( 243) = ( 0.0833333 0.1443376 0.2678615), wk = 0.0033670 k( 244) = ( 0.0763889 0.1323094 0.2678615), wk = 0.0033670 k( 245) = ( 0.0694444 0.1202813 0.2678615), wk = 0.0033670 k( 246) = ( 0.0625000 0.1082532 0.2678615), wk = 0.0033670 k( 247) = ( 0.0555556 0.0962251 0.2678615), wk = 0.0033670 k( 248) = ( 0.0486111 0.0841969 0.2678615), wk = 0.0033670 k( 249) = ( 0.0416667 0.0721688 0.2678615), wk = 0.0033670 k( 250) = ( 0.0347222 0.0601406 0.2678615), wk = 0.0033670 k( 251) = ( 0.0277778 0.0481125 0.2678615), wk = 0.0033670 k( 252) = ( 0.0208333 0.0360844 0.2678615), wk = 0.0033670 k( 253) = ( 0.0138889 0.0240563 0.2678615), wk = 0.0033670 k( 254) = ( 0.0069444 0.0120281 0.2678615), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.2678615), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.2678615), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.2544684), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.2410753), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.2276823), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.2142892), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.2008961), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.1875030), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.1741100), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.1607169), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.1473238), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 0.1339307), wk = 0.0033670 k( 267) = ( 0.5000000 0.2886751 0.1205377), wk = 0.0033670 k( 268) = ( 0.5000000 0.2886751 0.1071446), wk = 0.0033670 k( 269) = ( 0.5000000 0.2886751 0.0937515), wk = 0.0033670 k( 270) = ( 0.5000000 0.2886751 0.0803584), wk = 0.0033670 k( 271) = ( 0.5000000 0.2886751 0.0669654), wk = 0.0033670 k( 272) = ( 0.5000000 0.2886751 0.0535723), wk = 0.0033670 k( 273) = ( 0.5000000 0.2886751 0.0401792), wk = 0.0033670 k( 274) = ( 0.5000000 0.2886751 0.0267861), wk = 0.0033670 k( 275) = ( 0.5000000 0.2886751 0.0133931), wk = 0.0033670 k( 276) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.0133931), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.0267861), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.0401792), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.0535723), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.0669654), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.0803584), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.0937515), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.1071446), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.1205377), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.1339307), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.1473238), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.1607169), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.1741100), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.1875030), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.2008961), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.2142892), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.2276823), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.2410753), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.2544684), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.2678615), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 -0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 0.0000000 0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 -0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 0.0000000 0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 0.0000000 0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 0.0000000 0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 0.0000000 0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 0.0000000 -0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1071429 0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.1785714 0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.2738095 0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.3095238 0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.3214286 0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.3452381 0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033670 k( 173) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033670 k( 174) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033670 k( 175) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033670 k( 176) = ( 0.4404762 0.0000000 0.5000000), wk = 0.0033670 k( 177) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033670 k( 178) = ( 0.4642857 0.0000000 0.5000000), wk = 0.0033670 k( 179) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033670 k( 180) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033670 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033670 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033670 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033670 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033670 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033670 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033670 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033670 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033670 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033670 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033670 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033670 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033670 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033670 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033670 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033670 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033670 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033670 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033670 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033670 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033670 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033670 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033670 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033670 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033670 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033670 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033670 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033670 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033670 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033670 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033670 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033670 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033670 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033670 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033670 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033670 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033670 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033670 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033670 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033670 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033670 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033670 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033670 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033670 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033670 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033670 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033670 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033670 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033670 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033670 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033670 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033670 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033670 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033670 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033670 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033670 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033670 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033670 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033670 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033670 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033670 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033670 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033670 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033670 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033670 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033670 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033670 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033670 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033670 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033670 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 257) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0033670 k( 258) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033670 k( 259) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 267) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0033670 k( 268) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033670 k( 269) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0033670 k( 270) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033670 k( 271) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033670 k( 272) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033670 k( 273) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0033670 k( 274) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033670 k( 275) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0033670 k( 276) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 67497 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 39277 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 296, 62) NL pseudopotentials 0.46 Mb ( 148, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1875) G-vector shells 0.01 Mb ( 934) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 296, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrAgP.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 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 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.5 secs Computing kpt #: 20 total cpu time spent up to now is 15.2 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 16.7 secs Computing kpt #: 23 total cpu time spent up to now is 17.3 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 19.2 secs Computing kpt #: 27 total cpu time spent up to now is 19.8 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 21.0 secs Computing kpt #: 30 total cpu time spent up to now is 21.6 secs Computing kpt #: 31 total cpu time spent up to now is 22.2 secs Computing kpt #: 32 total cpu time spent up to now is 22.9 secs Computing kpt #: 33 total cpu time spent up to now is 23.5 secs Computing kpt #: 34 total cpu time spent up to now is 24.1 secs Computing kpt #: 35 total cpu time spent up to now is 24.7 secs Computing kpt #: 36 total cpu time spent up to now is 25.3 secs Computing kpt #: 37 total cpu time spent up to now is 26.0 secs Computing kpt #: 38 total cpu time spent up to now is 26.6 secs Computing kpt #: 39 total cpu time spent up to now is 27.2 secs Computing kpt #: 40 total cpu time spent up to now is 27.9 secs Computing kpt #: 41 total cpu time spent up to now is 28.5 secs Computing kpt #: 42 total cpu time spent up to now is 29.1 secs Computing kpt #: 43 total cpu time spent up to now is 29.8 secs Computing kpt #: 44 total cpu time spent up to now is 30.4 secs Computing kpt #: 45 total cpu time spent up to now is 31.0 secs Computing kpt #: 46 total cpu time spent up to now is 31.6 secs Computing kpt #: 47 total cpu time spent up to now is 32.3 secs Computing kpt #: 48 total cpu time spent up to now is 32.9 secs Computing kpt #: 49 total cpu time spent up to now is 33.5 secs Computing kpt #: 50 total cpu time spent up to now is 34.1 secs Computing kpt #: 51 total cpu time spent up to now is 34.8 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 36.0 secs Computing kpt #: 54 total cpu time spent up to now is 36.7 secs Computing kpt #: 55 total cpu time spent up to now is 37.6 secs Computing kpt #: 56 total cpu time spent up to now is 38.2 secs Computing kpt #: 57 total cpu time spent up to now is 38.9 secs Computing kpt #: 58 total cpu time spent up to now is 39.5 secs Computing kpt #: 59 total cpu time spent up to now is 40.1 secs Computing kpt #: 60 total cpu time spent up to now is 40.7 secs Computing kpt #: 61 total cpu time spent up to now is 41.4 secs Computing kpt #: 62 total cpu time spent up to now is 42.1 secs Computing kpt #: 63 total cpu time spent up to now is 42.7 secs Computing kpt #: 64 total cpu time spent up to now is 43.4 secs Computing kpt #: 65 total cpu time spent up to now is 44.0 secs Computing kpt #: 66 total cpu time spent up to now is 44.6 secs Computing kpt #: 67 total cpu time spent up to now is 45.3 secs Computing kpt #: 68 total cpu time spent up to now is 45.9 secs Computing kpt #: 69 total cpu time spent up to now is 46.5 secs Computing kpt #: 70 total cpu time spent up to now is 47.2 secs Computing kpt #: 71 total cpu time spent up to now is 47.8 secs Computing kpt #: 72 total cpu time spent up to now is 48.4 secs Computing kpt #: 73 total cpu time spent up to now is 49.1 secs Computing kpt #: 74 total cpu time spent up to now is 49.7 secs Computing kpt #: 75 total cpu time spent up to now is 50.3 secs Computing kpt #: 76 total cpu time spent up to now is 50.9 secs Computing kpt #: 77 total cpu time spent up to now is 51.5 secs Computing kpt #: 78 total cpu time spent up to now is 52.1 secs Computing kpt #: 79 total cpu time spent up to now is 52.6 secs Computing kpt #: 80 total cpu time spent up to now is 53.2 secs Computing kpt #: 81 total cpu time spent up to now is 53.7 secs Computing kpt #: 82 total cpu time spent up to now is 54.3 secs Computing kpt #: 83 total cpu time spent up to now is 54.8 secs Computing kpt #: 84 total cpu time spent up to now is 55.4 secs Computing kpt #: 85 total cpu time spent up to now is 55.9 secs Computing kpt #: 86 total cpu time spent up to now is 56.5 secs Computing kpt #: 87 total cpu time spent up to now is 57.0 secs Computing kpt #: 88 total cpu time spent up to now is 57.6 secs Computing kpt #: 89 total cpu time spent up to now is 58.2 secs Computing kpt #: 90 total cpu time spent up to now is 58.8 secs Computing kpt #: 91 total cpu time spent up to now is 59.4 secs Computing kpt #: 92 total cpu time spent up to now is 60.0 secs Computing kpt #: 93 total cpu time spent up to now is 60.6 secs Computing kpt #: 94 total cpu time spent up to now is 61.2 secs Computing kpt #: 95 total cpu time spent up to now is 61.9 secs Computing kpt #: 96 total cpu time spent up to now is 62.5 secs Computing kpt #: 97 total cpu time spent up to now is 63.2 secs Computing kpt #: 98 total cpu time spent up to now is 63.8 secs Computing kpt #: 99 total cpu time spent up to now is 64.5 secs Computing kpt #: 100 total cpu time spent up to now is 65.2 secs Computing kpt #: 101 total cpu time spent up to now is 65.9 secs Computing kpt #: 102 total cpu time spent up to now is 66.5 secs Computing kpt #: 103 total cpu time spent up to now is 67.2 secs Computing kpt #: 104 total cpu time spent up to now is 68.0 secs Computing kpt #: 105 total cpu time spent up to now is 68.6 secs Computing kpt #: 106 total cpu time spent up to now is 69.2 secs Computing kpt #: 107 total cpu time spent up to now is 69.9 secs Computing kpt #: 108 total cpu time spent up to now is 70.5 secs Computing kpt #: 109 total cpu time spent up to now is 71.1 secs Computing kpt #: 110 total cpu time spent up to now is 71.7 secs Computing kpt #: 111 total cpu time spent up to now is 72.3 secs Computing kpt #: 112 total cpu time spent up to now is 73.0 secs Computing kpt #: 113 total cpu time spent up to now is 73.6 secs Computing kpt #: 114 total cpu time spent up to now is 74.1 secs Computing kpt #: 115 total cpu time spent up to now is 74.7 secs Computing kpt #: 116 total cpu time spent up to now is 75.3 secs Computing kpt #: 117 total cpu time spent up to now is 75.9 secs Computing kpt #: 118 total cpu time spent up to now is 76.5 secs Computing kpt #: 119 total cpu time spent up to now is 77.1 secs Computing kpt #: 120 total cpu time spent up to now is 77.7 secs Computing kpt #: 121 total cpu time spent up to now is 78.3 secs Computing kpt #: 122 total cpu time spent up to now is 78.8 secs Computing kpt #: 123 total cpu time spent up to now is 79.4 secs Computing kpt #: 124 total cpu time spent up to now is 80.0 secs Computing kpt #: 125 total cpu time spent up to now is 80.6 secs Computing kpt #: 126 total cpu time spent up to now is 81.2 secs Computing kpt #: 127 total cpu time spent up to now is 81.8 secs Computing kpt #: 128 total cpu time spent up to now is 82.4 secs Computing kpt #: 129 total cpu time spent up to now is 83.0 secs Computing kpt #: 130 total cpu time spent up to now is 83.6 secs Computing kpt #: 131 total cpu time spent up to now is 84.2 secs Computing kpt #: 132 total cpu time spent up to now is 84.9 secs Computing kpt #: 133 total cpu time spent up to now is 85.7 secs Computing kpt #: 134 total cpu time spent up to now is 86.4 secs Computing kpt #: 135 total cpu time spent up to now is 87.2 secs Computing kpt #: 136 total cpu time spent up to now is 88.0 secs Computing kpt #: 137 total cpu time spent up to now is 89.0 secs Computing kpt #: 138 total cpu time spent up to now is 89.7 secs Computing kpt #: 139 total cpu time spent up to now is 90.7 secs Computing kpt #: 140 total cpu time spent up to now is 91.6 secs Computing kpt #: 141 total cpu time spent up to now is 92.6 secs Computing kpt #: 142 total cpu time spent up to now is 93.6 secs Computing kpt #: 143 total cpu time spent up to now is 94.7 secs Computing kpt #: 144 total cpu time spent up to now is 95.4 secs Computing kpt #: 145 total cpu time spent up to now is 96.1 secs Computing kpt #: 146 total cpu time spent up to now is 96.6 secs Computing kpt #: 147 total cpu time spent up to now is 97.2 secs Computing kpt #: 148 total cpu time spent up to now is 97.8 secs Computing kpt #: 149 total cpu time spent up to now is 98.4 secs Computing kpt #: 150 total cpu time spent up to now is 99.0 secs Computing kpt #: 151 total cpu time spent up to now is 99.6 secs Computing kpt #: 152 total cpu time spent up to now is 100.2 secs Computing kpt #: 153 total cpu time spent up to now is 100.7 secs Computing kpt #: 154 total cpu time spent up to now is 101.3 secs Computing kpt #: 155 total cpu time spent up to now is 101.9 secs Computing kpt #: 156 total cpu time spent up to now is 102.5 secs Computing kpt #: 157 total cpu time spent up to now is 103.1 secs Computing kpt #: 158 total cpu time spent up to now is 103.6 secs Computing kpt #: 159 total cpu time spent up to now is 104.3 secs Computing kpt #: 160 total cpu time spent up to now is 105.0 secs Computing kpt #: 161 total cpu time spent up to now is 105.8 secs Computing kpt #: 162 total cpu time spent up to now is 106.5 secs Computing kpt #: 163 total cpu time spent up to now is 107.3 secs Computing kpt #: 164 total cpu time spent up to now is 108.0 secs Computing kpt #: 165 total cpu time spent up to now is 108.8 secs Computing kpt #: 166 total cpu time spent up to now is 109.5 secs Computing kpt #: 167 total cpu time spent up to now is 110.2 secs Computing kpt #: 168 total cpu time spent up to now is 110.9 secs Computing kpt #: 169 total cpu time spent up to now is 111.7 secs Computing kpt #: 170 total cpu time spent up to now is 112.4 secs Computing kpt #: 171 total cpu time spent up to now is 113.1 secs Computing kpt #: 172 total cpu time spent up to now is 113.8 secs Computing kpt #: 173 total cpu time spent up to now is 114.6 secs Computing kpt #: 174 total cpu time spent up to now is 115.3 secs Computing kpt #: 175 total cpu time spent up to now is 116.1 secs Computing kpt #: 176 total cpu time spent up to now is 116.8 secs Computing kpt #: 177 total cpu time spent up to now is 117.6 secs Computing kpt #: 178 total cpu time spent up to now is 118.3 secs Computing kpt #: 179 total cpu time spent up to now is 119.0 secs Computing kpt #: 180 total cpu time spent up to now is 120.0 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.9 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.8 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 125.7 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.6 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.5 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.4 secs Computing kpt #: 187 total cpu time spent up to now is 132.3 secs Computing kpt #: 188 total cpu time spent up to now is 133.3 secs Computing kpt #: 189 total cpu time spent up to now is 134.0 secs Computing kpt #: 190 total cpu time spent up to now is 134.9 secs Computing kpt #: 191 total cpu time spent up to now is 136.0 secs Computing kpt #: 192 total cpu time spent up to now is 137.0 secs Computing kpt #: 193 total cpu time spent up to now is 137.9 secs Computing kpt #: 194 total cpu time spent up to now is 138.7 secs Computing kpt #: 195 total cpu time spent up to now is 139.5 secs Computing kpt #: 196 total cpu time spent up to now is 140.2 secs Computing kpt #: 197 total cpu time spent up to now is 141.0 secs Computing kpt #: 198 total cpu time spent up to now is 141.8 secs Computing kpt #: 199 total cpu time spent up to now is 142.5 secs Computing kpt #: 200 total cpu time spent up to now is 143.3 secs Computing kpt #: 201 total cpu time spent up to now is 144.0 secs Computing kpt #: 202 total cpu time spent up to now is 144.7 secs Computing kpt #: 203 total cpu time spent up to now is 145.5 secs Computing kpt #: 204 total cpu time spent up to now is 146.2 secs Computing kpt #: 205 total cpu time spent up to now is 146.9 secs Computing kpt #: 206 total cpu time spent up to now is 147.7 secs Computing kpt #: 207 total cpu time spent up to now is 148.4 secs Computing kpt #: 208 total cpu time spent up to now is 149.1 secs Computing kpt #: 209 total cpu time spent up to now is 149.9 secs Computing kpt #: 210 total cpu time spent up to now is 150.6 secs Computing kpt #: 211 total cpu time spent up to now is 151.3 secs Computing kpt #: 212 total cpu time spent up to now is 152.0 secs Computing kpt #: 213 total cpu time spent up to now is 152.8 secs Computing kpt #: 214 total cpu time spent up to now is 153.5 secs Computing kpt #: 215 total cpu time spent up to now is 154.3 secs Computing kpt #: 216 total cpu time spent up to now is 155.0 secs Computing kpt #: 217 total cpu time spent up to now is 155.6 secs Computing kpt #: 218 total cpu time spent up to now is 156.3 secs Computing kpt #: 219 total cpu time spent up to now is 156.9 secs Computing kpt #: 220 total cpu time spent up to now is 157.5 secs Computing kpt #: 221 total cpu time spent up to now is 158.2 secs Computing kpt #: 222 total cpu time spent up to now is 158.8 secs Computing kpt #: 223 total cpu time spent up to now is 159.4 secs Computing kpt #: 224 total cpu time spent up to now is 160.1 secs Computing kpt #: 225 total cpu time spent up to now is 160.7 secs Computing kpt #: 226 total cpu time spent up to now is 161.3 secs Computing kpt #: 227 total cpu time spent up to now is 161.9 secs Computing kpt #: 228 total cpu time spent up to now is 162.5 secs Computing kpt #: 229 total cpu time spent up to now is 163.2 secs Computing kpt #: 230 total cpu time spent up to now is 163.8 secs Computing kpt #: 231 total cpu time spent up to now is 164.4 secs Computing kpt #: 232 total cpu time spent up to now is 165.0 secs Computing kpt #: 233 total cpu time spent up to now is 165.6 secs Computing kpt #: 234 total cpu time spent up to now is 166.2 secs Computing kpt #: 235 total cpu time spent up to now is 166.8 secs Computing kpt #: 236 total cpu time spent up to now is 167.4 secs Computing kpt #: 237 total cpu time spent up to now is 168.0 secs Computing kpt #: 238 total cpu time spent up to now is 168.6 secs Computing kpt #: 239 total cpu time spent up to now is 169.2 secs Computing kpt #: 240 total cpu time spent up to now is 169.8 secs Computing kpt #: 241 total cpu time spent up to now is 170.5 secs Computing kpt #: 242 total cpu time spent up to now is 171.2 secs Computing kpt #: 243 total cpu time spent up to now is 171.8 secs Computing kpt #: 244 total cpu time spent up to now is 172.5 secs Computing kpt #: 245 total cpu time spent up to now is 173.1 secs Computing kpt #: 246 total cpu time spent up to now is 173.7 secs Computing kpt #: 247 total cpu time spent up to now is 174.3 secs Computing kpt #: 248 total cpu time spent up to now is 174.9 secs Computing kpt #: 249 total cpu time spent up to now is 175.6 secs Computing kpt #: 250 total cpu time spent up to now is 176.4 secs Computing kpt #: 251 total cpu time spent up to now is 177.2 secs Computing kpt #: 252 total cpu time spent up to now is 177.9 secs Computing kpt #: 253 total cpu time spent up to now is 179.2 secs Computing kpt #: 254 total cpu time spent up to now is 180.4 secs Computing kpt #: 255 total cpu time spent up to now is 181.4 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.3 secs Computing kpt #: 257 total cpu time spent up to now is 184.8 secs Computing kpt #: 258 total cpu time spent up to now is 185.8 secs Computing kpt #: 259 total cpu time spent up to now is 186.8 secs Computing kpt #: 260 total cpu time spent up to now is 187.8 secs Computing kpt #: 261 total cpu time spent up to now is 188.7 secs Computing kpt #: 262 total cpu time spent up to now is 189.6 secs Computing kpt #: 263 total cpu time spent up to now is 190.6 secs Computing kpt #: 264 total cpu time spent up to now is 191.5 secs Computing kpt #: 265 total cpu time spent up to now is 192.4 secs Computing kpt #: 266 total cpu time spent up to now is 193.3 secs Computing kpt #: 267 total cpu time spent up to now is 194.2 secs Computing kpt #: 268 total cpu time spent up to now is 194.9 secs Computing kpt #: 269 total cpu time spent up to now is 195.7 secs Computing kpt #: 270 total cpu time spent up to now is 196.4 secs Computing kpt #: 271 total cpu time spent up to now is 197.1 secs Computing kpt #: 272 total cpu time spent up to now is 197.7 secs Computing kpt #: 273 total cpu time spent up to now is 198.4 secs Computing kpt #: 274 total cpu time spent up to now is 199.0 secs Computing kpt #: 275 total cpu time spent up to now is 199.7 secs Computing kpt #: 276 total cpu time spent up to now is 200.3 secs Computing kpt #: 277 total cpu time spent up to now is 200.9 secs Computing kpt #: 278 total cpu time spent up to now is 201.6 secs Computing kpt #: 279 total cpu time spent up to now is 202.2 secs Computing kpt #: 280 total cpu time spent up to now is 202.9 secs Computing kpt #: 281 total cpu time spent up to now is 203.6 secs Computing kpt #: 282 total cpu time spent up to now is 204.2 secs Computing kpt #: 283 total cpu time spent up to now is 204.8 secs Computing kpt #: 284 total cpu time spent up to now is 205.5 secs Computing kpt #: 285 total cpu time spent up to now is 206.1 secs Computing kpt #: 286 total cpu time spent up to now is 206.8 secs Computing kpt #: 287 total cpu time spent up to now is 207.4 secs Computing kpt #: 288 total cpu time spent up to now is 208.0 secs Computing kpt #: 289 total cpu time spent up to now is 208.7 secs Computing kpt #: 290 total cpu time spent up to now is 209.3 secs Computing kpt #: 291 total cpu time spent up to now is 209.9 secs Computing kpt #: 292 total cpu time spent up to now is 210.6 secs Computing kpt #: 293 total cpu time spent up to now is 211.2 secs Computing kpt #: 294 total cpu time spent up to now is 211.9 secs Computing kpt #: 295 total cpu time spent up to now is 212.5 secs Computing kpt #: 296 total cpu time spent up to now is 213.3 secs Computing kpt #: 297 total cpu time spent up to now is 214.0 secs ethr = 1.92E-08, avg # of iterations = 24.3 total cpu time spent up to now is 214.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4899 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6920 -8.6920 -8.6216 -8.6216 -7.6359 -7.6359 -7.4792 -7.4792 -7.4774 -7.4774 -7.4539 -7.4539 -1.2133 -1.2133 -0.6286 -0.6286 3.4545 3.4545 3.5989 3.5989 3.7939 3.7939 3.9534 3.9534 4.1735 4.1735 4.4241 4.4241 4.6235 4.6235 4.6750 4.6750 4.8133 4.8133 5.1039 5.1039 5.5564 5.5564 8.3511 8.3511 8.9834 8.9834 9.0180 9.0180 9.7880 9.7880 9.8165 9.8165 10.0119 10.0119 10.6917 10.6917 11.1028 11.1028 11.7441 11.7441 11.7685 11.7685 k = 0.0119 0.0069-0.0000 ( 4895 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6920 -8.6920 -8.6217 -8.6217 -7.6359 -7.6359 -7.4792 -7.4792 -7.4775 -7.4775 -7.4540 -7.4540 -1.2122 -1.2122 -0.6285 -0.6285 3.4551 3.4551 3.5989 3.5989 3.7945 3.7945 3.9534 3.9534 4.1738 4.1738 4.4236 4.4236 4.6236 4.6236 4.6752 4.6752 4.8122 4.8122 5.1035 5.1035 5.5602 5.5602 8.3507 8.3507 8.9763 8.9763 9.0124 9.0124 9.7421 9.7421 9.7988 9.7988 10.0630 10.0630 10.7015 10.7015 11.1029 11.1029 11.7520 11.7520 11.7769 11.7769 k = 0.0238 0.0137-0.0000 ( 4883 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6921 -8.6921 -8.6219 -8.6219 -7.6359 -7.6359 -7.4794 -7.4794 -7.4780 -7.4780 -7.4544 -7.4544 -1.2090 -1.2090 -0.6281 -0.6281 3.4570 3.4570 3.5992 3.5992 3.7963 3.7963 3.9534 3.9534 4.1745 4.1745 4.4218 4.4218 4.6237 4.6237 4.6758 4.6758 4.8089 4.8089 5.1024 5.1024 5.5714 5.5714 8.3497 8.3497 8.9497 8.9497 9.0014 9.0014 9.6359 9.6359 9.7756 9.7756 10.1559 10.1559 10.7300 10.7300 11.1032 11.1032 11.7754 11.7754 11.8018 11.8018 k = 0.0357 0.0206-0.0000 ( 4879 PWs) bands (ev): -25.8298 -25.8298 -25.8202 -25.8202 -8.6922 -8.6922 -8.6223 -8.6223 -7.6358 -7.6358 -7.4799 -7.4799 -7.4785 -7.4785 -7.4551 -7.4551 -1.2037 -1.2037 -0.6275 -0.6275 3.4601 3.4601 3.5995 3.5995 3.7993 3.7993 3.9535 3.9535 4.1756 4.1756 4.4190 4.4190 4.6238 4.6238 4.6767 4.6767 4.8037 4.8037 5.1007 5.1007 5.5897 5.5897 8.3479 8.3479 8.9005 8.9005 8.9906 8.9906 9.5140 9.5140 9.7410 9.7410 10.2522 10.2522 10.7754 10.7754 11.1037 11.1037 11.8132 11.8132 11.8429 11.8429 k = 0.0476 0.0275-0.0000 ( 4871 PWs) bands (ev): -25.8298 -25.8298 -25.8201 -25.8201 -8.6923 -8.6923 -8.6228 -8.6228 -7.6358 -7.6358 -7.4809 -7.4809 -7.4788 -7.4788 -7.4560 -7.4560 -1.1964 -1.1964 -0.6266 -0.6266 3.4643 3.4643 3.6000 3.6000 3.8034 3.8034 3.9537 3.9537 4.1771 4.1771 4.4151 4.4151 4.6239 4.6239 4.6779 4.6779 4.7968 4.7968 5.0987 5.0987 5.6145 5.6145 8.3454 8.3454 8.8329 8.8329 8.9785 8.9785 9.3862 9.3862 9.6952 9.6952 10.3437 10.3437 10.8349 10.8349 11.1046 11.1046 11.8639 11.8639 11.8999 11.8999 k = 0.0595 0.0344-0.0000 ( 4871 PWs) bands (ev): -25.8297 -25.8297 -25.8201 -25.8201 -8.6925 -8.6925 -8.6235 -8.6235 -7.6357 -7.6357 -7.4825 -7.4825 -7.4790 -7.4790 -7.4571 -7.4571 -1.1870 -1.1870 -0.6255 -0.6255 3.4697 3.4697 3.6005 3.6005 3.8087 3.8087 3.9541 3.9541 4.1790 4.1790 4.4101 4.4101 4.6240 4.6240 4.6794 4.6794 4.7886 4.7886 5.0964 5.0964 5.6453 5.6453 8.3424 8.3424 8.7510 8.7510 8.9639 8.9639 9.2557 9.2557 9.6395 9.6395 10.4275 10.4275 10.9058 10.9058 11.1066 11.1066 11.9252 11.9252 11.9721 11.9721 k = 0.0714 0.0412-0.0000 ( 4871 PWs) bands (ev): -25.8296 -25.8296 -25.8200 -25.8200 -8.6927 -8.6927 -8.6243 -8.6243 -7.6356 -7.6356 -7.4845 -7.4845 -7.4792 -7.4792 -7.4585 -7.4585 -1.1755 -1.1755 -0.6241 -0.6241 3.4763 3.4763 3.6012 3.6012 3.8151 3.8151 3.9548 3.9548 4.1812 4.1812 4.4041 4.4041 4.6240 4.6240 4.6813 4.6813 4.7796 4.7796 5.0941 5.0941 5.6813 5.6813 8.3388 8.3388 8.6579 8.6579 8.9458 8.9458 9.1246 9.1246 9.5755 9.5755 10.5021 10.5021 10.9839 10.9839 11.1123 11.1123 11.9952 11.9952 12.0583 12.0583 k = 0.0833 0.0481-0.0000 ( 4875 PWs) bands (ev): -25.8294 -25.8294 -25.8198 -25.8198 -8.6930 -8.6930 -8.6253 -8.6253 -7.6355 -7.6355 -7.4869 -7.4869 -7.4793 -7.4793 -7.4601 -7.4601 -1.1622 -1.1622 -0.6225 -0.6225 3.4840 3.4840 3.6019 3.6019 3.8226 3.8226 3.9558 3.9558 4.1838 4.1838 4.3972 4.3972 4.6239 4.6239 4.6833 4.6833 4.7701 4.7701 5.0918 5.0918 5.7222 5.7222 8.3347 8.3347 8.5558 8.5558 8.9198 8.9198 8.9983 8.9983 9.5048 9.5048 10.5667 10.5667 11.0538 11.0538 11.1358 11.1358 12.0722 12.0722 12.1566 12.1566 k = 0.0952 0.0550-0.0000 ( 4879 PWs) bands (ev): -25.8293 -25.8293 -25.8197 -25.8197 -8.6933 -8.6933 -8.6264 -8.6264 -7.6354 -7.6354 -7.4896 -7.4896 -7.4795 -7.4795 -7.4619 -7.4619 -1.1469 -1.1469 -0.6206 -0.6206 3.4929 3.4929 3.6027 3.6027 3.8311 3.8311 3.9574 3.9574 4.1867 4.1867 4.3895 4.3895 4.6238 4.6238 4.6855 4.6855 4.7607 4.7607 5.0895 5.0895 5.7672 5.7672 8.3301 8.3301 8.4465 8.4465 8.8430 8.8430 8.9207 8.9207 9.4288 9.4288 10.6215 10.6215 11.0828 11.0828 11.2087 11.2087 12.1548 12.1548 12.2650 12.2650 k = 0.1071 0.0619-0.0000 ( 4875 PWs) bands (ev): -25.8291 -25.8291 -25.8196 -25.8196 -8.6936 -8.6936 -8.6276 -8.6276 -7.6352 -7.6352 -7.4926 -7.4926 -7.4796 -7.4796 -7.4639 -7.4639 -1.1298 -1.1298 -0.6184 -0.6184 3.5029 3.5029 3.6034 3.6034 3.8406 3.8406 3.9596 3.9596 4.1899 4.1899 4.3811 4.3811 4.6236 4.6236 4.6877 4.6877 4.7518 4.7518 5.0874 5.0874 5.8161 5.8161 8.3240 8.3240 8.3327 8.3327 8.7182 8.7182 8.8896 8.8896 9.3486 9.3486 10.6669 10.6669 11.0918 11.0918 11.3089 11.3089 12.2418 12.2418 12.3338 12.3338 k = 0.1190 0.0687-0.0000 ( 4881 PWs) bands (ev): -25.8289 -25.8289 -25.8194 -25.8194 -8.6940 -8.6940 -8.6290 -8.6290 -7.6351 -7.6351 -7.4958 -7.4958 -7.4798 -7.4798 -7.4661 -7.4661 -1.1109 -1.1109 -0.6160 -0.6160 3.5139 3.5139 3.6042 3.6042 3.8511 3.8511 3.9625 3.9625 4.1932 4.1932 4.3721 4.3721 4.6232 4.6232 4.6895 4.6895 4.7437 4.7437 5.0854 5.0854 5.8684 5.8684 8.2116 8.2116 8.3203 8.3203 8.5898 8.5898 8.8612 8.8612 9.2654 9.2654 10.7033 10.7033 11.0984 11.0984 11.4181 11.4181 12.2707 12.2707 12.3320 12.3320 k = 0.1310 0.0756-0.0000 ( 4885 PWs) bands (ev): -25.8287 -25.8287 -25.8192 -25.8192 -8.6944 -8.6944 -8.6304 -8.6304 -7.6350 -7.6350 -7.4994 -7.4994 -7.4800 -7.4800 -7.4685 -7.4685 -1.0904 -1.0904 -0.6133 -0.6133 3.5260 3.5260 3.6050 3.6050 3.8623 3.8623 3.9663 3.9663 4.1968 4.1968 4.3626 4.3626 4.6226 4.6226 4.6908 4.6908 4.7370 4.7370 5.0834 5.0834 5.9238 5.9238 8.0882 8.0882 8.3150 8.3150 8.4621 8.4621 8.8314 8.8314 9.1798 9.1798 10.7309 10.7309 11.1070 11.1070 11.5315 11.5315 12.2030 12.2030 12.4244 12.4244 k = 0.1429 0.0825-0.0000 ( 4889 PWs) bands (ev): -25.8285 -25.8285 -25.8190 -25.8190 -8.6949 -8.6949 -8.6320 -8.6320 -7.6348 -7.6348 -7.5031 -7.5031 -7.4803 -7.4803 -7.4710 -7.4710 -1.0684 -1.0684 -0.6103 -0.6103 3.5391 3.5391 3.6058 3.6058 3.8744 3.8744 3.9709 3.9709 4.2006 4.2006 4.3529 4.3529 4.6219 4.6219 4.6909 4.6909 4.7325 4.7325 5.0815 5.0815 5.9820 5.9820 7.9621 7.9621 8.3094 8.3094 8.3360 8.3360 8.7996 8.7996 9.0927 9.0927 10.7496 10.7496 11.1192 11.1192 11.6471 11.6471 12.1322 12.1322 12.5181 12.5181 k = 0.1548 0.0894-0.0000 ( 4895 PWs) bands (ev): -25.8283 -25.8283 -25.8188 -25.8188 -8.6954 -8.6954 -8.6337 -8.6337 -7.6347 -7.6347 -7.5071 -7.5071 -7.4805 -7.4805 -7.4737 -7.4737 -1.0449 -1.0449 -0.6071 -0.6071 3.5531 3.5531 3.6068 3.6068 3.8871 3.8871 3.9766 3.9766 4.2044 4.2044 4.3431 4.3431 4.6209 4.6209 4.6894 4.6894 4.7305 4.7305 5.0797 5.0797 6.0428 6.0428 7.8339 7.8339 8.2115 8.2115 8.3040 8.3040 8.7659 8.7659 9.0047 9.0047 10.7596 10.7596 11.1363 11.1363 11.7633 11.7633 12.0590 12.0590 12.6125 12.6125 k = 0.1667 0.0962-0.0000 ( 4901 PWs) bands (ev): -25.8281 -25.8281 -25.8186 -25.8186 -8.6959 -8.6959 -8.6355 -8.6355 -7.6345 -7.6345 -7.5113 -7.5113 -7.4808 -7.4808 -7.4764 -7.4764 -1.0200 -1.0200 -0.6036 -0.6036 3.5680 3.5680 3.6079 3.6079 3.9004 3.9004 3.9833 3.9833 4.2084 4.2084 4.3334 4.3334 4.6196 4.6196 4.6865 4.6865 4.7309 4.7309 5.0779 5.0779 6.1058 6.1058 7.7046 7.7046 8.0887 8.0887 8.2985 8.2985 8.7301 8.7301 8.9164 8.9164 10.7614 10.7614 11.1585 11.1585 11.8786 11.8786 11.9845 11.9845 12.7068 12.7068 k = 0.1786 0.1031-0.0000 ( 4905 PWs) bands (ev): -25.8278 -25.8278 -25.8184 -25.8184 -8.6965 -8.6965 -8.6373 -8.6373 -7.6344 -7.6344 -7.5156 -7.5156 -7.4813 -7.4813 -7.4790 -7.4790 -0.9940 -0.9940 -0.5998 -0.5998 3.5836 3.5836 3.6093 3.6093 3.9142 3.9142 3.9912 3.9912 4.2123 4.2123 4.3239 4.3239 4.6182 4.6182 4.6829 4.6829 4.7331 4.7331 5.0761 5.0761 6.1711 6.1711 7.5747 7.5747 7.9677 7.9677 8.2929 8.2929 8.6922 8.6922 8.8285 8.8285 10.7557 10.7557 11.1857 11.1857 11.9066 11.9066 11.9945 11.9945 12.8004 12.8004 k = 0.1905 0.1100-0.0000 ( 4897 PWs) bands (ev): -25.8276 -25.8276 -25.8182 -25.8182 -8.6971 -8.6971 -8.6393 -8.6393 -7.6343 -7.6343 -7.5201 -7.5201 -7.4829 -7.4829 -7.4805 -7.4805 -0.9669 -0.9669 -0.5956 -0.5956 3.5993 3.5993 3.6119 3.6119 3.9284 3.9284 4.0001 4.0001 4.2163 4.2163 4.3149 4.3149 4.6164 4.6164 4.6790 4.6790 4.7366 4.7366 5.0742 5.0742 6.2382 6.2382 7.4450 7.4450 7.8483 7.8483 8.2875 8.2875 8.6517 8.6517 8.7419 8.7419 10.7438 10.7438 11.2174 11.2174 11.8303 11.8303 12.1054 12.1054 12.8928 12.8928 k = 0.2024 0.1168-0.0000 ( 4911 PWs) bands (ev): -25.8273 -25.8273 -25.8180 -25.8180 -8.6977 -8.6977 -8.6413 -8.6413 -7.6341 -7.6341 -7.5246 -7.5246 -7.4856 -7.4856 -7.4811 -7.4811 -0.9389 -0.9389 -0.5912 -0.5912 3.6096 3.6096 3.6211 3.6211 3.9428 3.9428 4.0100 4.0100 4.2201 4.2201 4.3066 4.3066 4.6144 4.6144 4.6752 4.6752 4.7409 4.7409 5.0723 5.0723 6.3071 6.3071 7.3158 7.3158 7.7305 7.7305 8.2820 8.2820 8.6059 8.6059 8.6599 8.6599 10.7266 10.7266 11.2530 11.2530 11.7532 11.7532 12.2133 12.2133 12.9834 12.9834 k = 0.2143 0.1237-0.0000 ( 4904 PWs) bands (ev): -25.8270 -25.8270 -25.8177 -25.8177 -8.6984 -8.6984 -8.6433 -8.6433 -7.6340 -7.6340 -7.5292 -7.5292 -7.4886 -7.4886 -7.4814 -7.4814 -0.9101 -0.9101 -0.5865 -0.5865 3.6133 3.6133 3.6381 3.6381 3.9573 3.9573 4.0209 4.0209 4.2237 4.2237 4.2994 4.2994 4.6121 4.6121 4.6719 4.6719 4.7457 4.7457 5.0704 5.0704 6.3775 6.3775 7.1877 7.1877 7.6143 7.6143 8.2767 8.2767 8.5445 8.5445 8.5933 8.5933 10.7054 10.7054 11.2918 11.2918 11.6761 11.6761 12.3171 12.3171 13.0714 13.0714 k = 0.2262 0.1306-0.0000 ( 4914 PWs) bands (ev): -25.8268 -25.8268 -25.8175 -25.8175 -8.6991 -8.6991 -8.6454 -8.6454 -7.6340 -7.6340 -7.5339 -7.5339 -7.4916 -7.4916 -7.4816 -7.4816 -0.8808 -0.8808 -0.5815 -0.5815 3.6166 3.6166 3.6567 3.6567 3.9716 3.9716 4.0326 4.0326 4.2268 4.2268 4.2935 4.2935 4.6097 4.6097 4.6690 4.6690 4.7507 4.7507 5.0683 5.0683 6.4493 6.4493 7.0612 7.0612 7.4997 7.4997 8.2714 8.2714 8.4663 8.4663 8.5437 8.5437 10.6809 10.6809 11.3332 11.3332 11.5991 11.5991 12.4163 12.4163 13.1487 13.1487 k = 0.2381 0.1375-0.0000 ( 4906 PWs) bands (ev): -25.8265 -25.8265 -25.8172 -25.8172 -8.6998 -8.6998 -8.6475 -8.6475 -7.6339 -7.6339 -7.5386 -7.5386 -7.4946 -7.4946 -7.4819 -7.4819 -0.8511 -0.8511 -0.5760 -0.5760 3.6205 3.6205 3.6763 3.6763 3.9858 3.9858 4.0450 4.0450 4.2294 4.2294 4.2895 4.2895 4.6071 4.6071 4.6667 4.6667 4.7560 4.7560 5.0662 5.0662 6.5223 6.5223 6.9365 6.9365 7.3867 7.3867 8.2661 8.2661 8.3841 8.3841 8.4988 8.4988 10.6539 10.6539 11.3768 11.3768 11.5229 11.5229 12.5107 12.5107 13.2043 13.2043 k = 0.2500 0.1443-0.0000 ( 4912 PWs) bands (ev): -25.8262 -25.8262 -25.8170 -25.8170 -8.7005 -8.7005 -8.6497 -8.6497 -7.6338 -7.6338 -7.5433 -7.5433 -7.4976 -7.4976 -7.4822 -7.4822 -0.8213 -0.8213 -0.5702 -0.5702 3.6252 3.6252 3.6964 3.6964 3.9996 3.9996 4.0579 4.0579 4.2312 4.2312 4.2876 4.2876 4.6045 4.6045 4.6648 4.6648 4.7613 4.7613 5.0639 5.0639 6.5963 6.5963 6.8141 6.8141 7.2756 7.2756 8.2608 8.2608 8.3019 8.3019 8.4550 8.4550 10.6252 10.6252 11.4185 11.4185 11.4511 11.4511 12.6004 12.6004 13.2582 13.2582 k = 0.2619 0.1512-0.0000 ( 4910 PWs) bands (ev): -25.8259 -25.8259 -25.8167 -25.8167 -8.7013 -8.7013 -8.6518 -8.6518 -7.6338 -7.6338 -7.5479 -7.5479 -7.5006 -7.5006 -7.4824 -7.4824 -0.7916 -0.7916 -0.5639 -0.5639 3.6308 3.6308 3.7171 3.7171 4.0127 4.0127 4.0711 4.0711 4.2322 4.2322 4.2883 4.2883 4.6020 4.6020 4.6635 4.6635 4.7665 4.7665 5.0615 5.0615 6.6709 6.6709 6.6944 6.6944 7.1663 7.1663 8.2210 8.2210 8.2554 8.2554 8.4116 8.4116 10.5953 10.5953 11.3688 11.3688 11.4730 11.4730 12.6857 12.6857 13.3034 13.3034 k = 0.2738 0.1581-0.0000 ( 4916 PWs) bands (ev): -25.8256 -25.8256 -25.8165 -25.8165 -8.7021 -8.7021 -8.6540 -8.6540 -7.6338 -7.6338 -7.5525 -7.5525 -7.5035 -7.5035 -7.4826 -7.4826 -0.7623 -0.7623 -0.5571 -0.5571 3.6376 3.6376 3.7381 3.7381 4.0251 4.0251 4.0841 4.0841 4.2329 4.2329 4.2913 4.2913 4.5995 4.5995 4.6625 4.6625 4.7716 4.7716 5.0589 5.0589 6.5774 6.5774 6.7460 6.7460 7.0594 7.0594 8.1418 8.1418 8.2500 8.2500 8.3685 8.3685 10.5647 10.5647 11.2948 11.2948 11.5216 11.5216 12.7671 12.7671 13.2689 13.2689 k = 0.2857 0.1650-0.0000 ( 4918 PWs) bands (ev): -25.8254 -25.8254 -25.8162 -25.8162 -8.7028 -8.7028 -8.6561 -8.6561 -7.6339 -7.6339 -7.5570 -7.5570 -7.5063 -7.5063 -7.4829 -7.4829 -0.7337 -0.7337 -0.5496 -0.5496 3.6456 3.6456 3.7595 3.7595 4.0366 4.0366 4.0968 4.0968 4.2336 4.2336 4.2966 4.2966 4.5973 4.5973 4.6619 4.6619 4.7765 4.7765 5.0561 5.0561 6.4636 6.4636 6.8198 6.8198 6.9564 6.9564 8.0646 8.0646 8.2443 8.2443 8.3258 8.3258 10.5338 10.5338 11.2210 11.2210 11.5719 11.5719 12.8454 12.8454 13.2324 13.2324 k = 0.2976 0.1718-0.0000 ( 4918 PWs) bands (ev): -25.8251 -25.8251 -25.8160 -25.8160 -8.7036 -8.7036 -8.6582 -8.6582 -7.6339 -7.6339 -7.5614 -7.5614 -7.5090 -7.5090 -7.4831 -7.4831 -0.7063 -0.7063 -0.5412 -0.5412 3.6549 3.6549 3.7810 3.7810 4.0471 4.0471 4.1087 4.1087 4.2350 4.2350 4.3039 4.3039 4.5954 4.5954 4.6617 4.6617 4.7811 4.7811 5.0531 5.0531 6.3533 6.3533 6.8406 6.8406 6.9090 6.9090 7.9898 7.9898 8.2383 8.2383 8.2839 8.2839 10.5031 10.5031 11.1481 11.1481 11.6233 11.6233 12.9210 12.9210 13.1999 13.1999 k = 0.3095 0.1787-0.0000 ( 4924 PWs) bands (ev): -25.8248 -25.8248 -25.8158 -25.8158 -8.7044 -8.7044 -8.6603 -8.6603 -7.6340 -7.6340 -7.5657 -7.5657 -7.5116 -7.5116 -7.4833 -7.4833 -0.6804 -0.6804 -0.5317 -0.5317 3.6656 3.6656 3.8025 3.8025 4.0564 4.0564 4.1196 4.1196 4.2374 4.2374 4.3129 4.3129 4.5938 4.5938 4.6617 4.6617 4.7852 4.7852 5.0498 5.0498 6.2468 6.2468 6.7467 6.7467 6.9788 6.9788 7.9175 7.9175 8.2306 8.2306 8.2441 8.2441 10.4728 10.4728 11.0761 11.0761 11.6756 11.6756 12.9943 12.9943 13.1721 13.1721 k = 0.3214 0.1856-0.0000 ( 4924 PWs) bands (ev): -25.8246 -25.8246 -25.8155 -25.8155 -8.7051 -8.7051 -8.6623 -8.6623 -7.6342 -7.6342 -7.5698 -7.5698 -7.5141 -7.5141 -7.4835 -7.4835 -0.6566 -0.6566 -0.5208 -0.5208 3.6777 3.6777 3.8239 3.8239 4.0646 4.0646 4.1293 4.1293 4.2410 4.2410 4.3236 4.3236 4.5926 4.5926 4.6621 4.6621 4.7889 4.7889 5.0463 5.0463 6.1444 6.1444 6.6502 6.6502 7.0540 7.0540 7.8480 7.8480 8.2008 8.2008 8.2270 8.2270 10.4433 10.4433 11.0053 11.0053 11.7285 11.7285 13.0648 13.0648 13.1503 13.1503 k = 0.3333 0.1925-0.0000 ( 4924 PWs) bands (ev): -25.8243 -25.8243 -25.8153 -25.8153 -8.7059 -8.7059 -8.6642 -8.6642 -7.6343 -7.6343 -7.5738 -7.5738 -7.5164 -7.5164 -7.4837 -7.4837 -0.6354 -0.6354 -0.5082 -0.5082 3.6914 3.6914 3.8450 3.8450 4.0717 4.0717 4.1375 4.1375 4.2459 4.2459 4.3357 4.3357 4.5920 4.5920 4.6626 4.6626 4.7919 4.7919 5.0424 5.0424 6.0465 6.0465 6.5561 6.5561 7.1293 7.1293 7.7814 7.7814 8.1622 8.1622 8.2195 8.2195 10.4147 10.4147 10.9358 10.9358 11.7815 11.7815 13.1166 13.1166 13.1508 13.1508 k = 0.3452 0.1993-0.0000 ( 4918 PWs) bands (ev): -25.8241 -25.8241 -25.8151 -25.8151 -8.7066 -8.7066 -8.6661 -8.6661 -7.6345 -7.6345 -7.5775 -7.5775 -7.5186 -7.5186 -7.4839 -7.4839 -0.6170 -0.6170 -0.4939 -0.4939 3.7064 3.7064 3.8655 3.8655 4.0782 4.0782 4.1442 4.1442 4.2519 4.2519 4.3490 4.3490 4.5918 4.5918 4.6635 4.6635 4.7941 4.7941 5.0381 5.0381 5.9533 5.9533 6.4654 6.4654 7.2041 7.2041 7.7180 7.7180 8.1248 8.1248 8.2117 8.2117 10.3874 10.3874 10.8680 10.8680 11.8345 11.8345 13.1124 13.1124 13.2107 13.2107 k = 0.3571 0.2062-0.0000 ( 4914 PWs) bands (ev): -25.8239 -25.8239 -25.8149 -25.8149 -8.7073 -8.7073 -8.6679 -8.6679 -7.6347 -7.6347 -7.5811 -7.5811 -7.5206 -7.5206 -7.4841 -7.4841 -0.6016 -0.6016 -0.4780 -0.4780 3.7229 3.7229 3.8852 3.8852 4.0842 4.0842 4.1491 4.1491 4.2587 4.2587 4.3635 4.3635 4.5922 4.5922 4.6645 4.6645 4.7954 4.7954 5.0334 5.0334 5.8653 5.8653 6.3784 6.3784 7.2779 7.2779 7.6581 7.6581 8.0890 8.0890 8.2033 8.2033 10.3616 10.3616 10.8020 10.8020 11.8871 11.8871 13.1055 13.1055 13.2763 13.2763 k = 0.3690 0.2131-0.0000 ( 4912 PWs) bands (ev): -25.8236 -25.8236 -25.8147 -25.8147 -8.7080 -8.7080 -8.6696 -8.6696 -7.6349 -7.6349 -7.5844 -7.5844 -7.5225 -7.5225 -7.4842 -7.4842 -0.5890 -0.5890 -0.4609 -0.4609 3.7407 3.7407 3.9038 3.9038 4.0901 4.0901 4.1524 4.1524 4.2660 4.2660 4.3788 4.3788 4.5930 4.5930 4.6658 4.6658 4.7957 4.7957 5.0283 5.0283 5.7830 5.7830 6.2956 6.2956 7.3504 7.3504 7.6018 7.6018 8.0550 8.0550 8.1940 8.1940 10.3373 10.3373 10.7383 10.7383 11.9389 11.9389 13.1027 13.1027 13.3393 13.3393 k = 0.3810 0.2199-0.0000 ( 4920 PWs) bands (ev): -25.8235 -25.8235 -25.8145 -25.8145 -8.7086 -8.7086 -8.6711 -8.6711 -7.6352 -7.6352 -7.5875 -7.5875 -7.5242 -7.5242 -7.4844 -7.4844 -0.5786 -0.5786 -0.4433 -0.4433 3.7595 3.7595 3.9210 3.9210 4.0963 4.0963 4.1540 4.1540 4.2733 4.2733 4.3948 4.3948 4.5944 4.5944 4.6673 4.6673 4.7946 4.7946 5.0227 5.0227 5.7067 5.7067 6.2173 6.2173 7.4213 7.4213 7.5493 7.5493 8.0233 8.0233 8.1837 8.1837 10.3147 10.3147 10.6772 10.6772 11.9894 11.9894 13.1043 13.1043 13.3969 13.3969 k = 0.3929 0.2268-0.0000 ( 4922 PWs) bands (ev): -25.8233 -25.8233 -25.8144 -25.8144 -8.7092 -8.7092 -8.6726 -8.6726 -7.6354 -7.6354 -7.5903 -7.5903 -7.5257 -7.5257 -7.4845 -7.4845 -0.5701 -0.5701 -0.4258 -0.4258 3.7792 3.7792 3.9368 3.9368 4.1030 4.1030 4.1540 4.1540 4.2805 4.2805 4.4111 4.4111 4.5963 4.5963 4.6690 4.6690 4.7922 4.7922 5.0167 5.0167 5.6369 5.6369 6.1441 6.1441 7.4901 7.4901 7.5011 7.5011 7.9938 7.9938 8.1723 8.1723 10.2939 10.2939 10.6193 10.6193 12.0383 12.0383 13.1100 13.1100 13.4464 13.4464 k = 0.4048 0.2337-0.0000 ( 4926 PWs) bands (ev): -25.8231 -25.8231 -25.8142 -25.8142 -8.7098 -8.7098 -8.6739 -8.6739 -7.6357 -7.6357 -7.5929 -7.5929 -7.5271 -7.5271 -7.4846 -7.4846 -0.5631 -0.5631 -0.4089 -0.4089 3.7995 3.7995 3.9510 3.9510 4.1101 4.1101 4.1526 4.1526 4.2870 4.2870 4.4277 4.4277 4.5986 4.5986 4.6709 4.6709 4.7883 4.7883 5.0103 5.0103 5.5740 5.5740 6.0765 6.0765 7.4570 7.4570 7.5567 7.5567 7.9670 7.9670 8.1594 8.1594 10.2751 10.2751 10.5651 10.5651 12.0849 12.0849 13.1193 13.1193 13.4845 13.4845 k = 0.4167 0.2406-0.0000 ( 4932 PWs) bands (ev): -25.8230 -25.8230 -25.8141 -25.8141 -8.7103 -8.7103 -8.6751 -8.6751 -7.6359 -7.6359 -7.5952 -7.5952 -7.5283 -7.5283 -7.4847 -7.4847 -0.5574 -0.5574 -0.3932 -0.3932 3.8198 3.8198 3.9639 3.9639 4.1171 4.1171 4.1502 4.1502 4.2927 4.2927 4.4443 4.4443 4.6011 4.6011 4.6731 4.6731 4.7826 4.7826 5.0037 5.0037 5.5185 5.5185 6.0150 6.0150 7.4175 7.4175 7.6205 7.6205 7.9428 7.9428 8.1450 8.1450 10.2582 10.2582 10.5152 10.5152 12.1286 12.1286 13.1314 13.1314 13.5089 13.5089 k = 0.4286 0.2474-0.0000 ( 4942 PWs) bands (ev): -25.8228 -25.8228 -25.8140 -25.8140 -8.7107 -8.7107 -8.6762 -8.6762 -7.6361 -7.6361 -7.5972 -7.5972 -7.5294 -7.5294 -7.4848 -7.4848 -0.5526 -0.5526 -0.3789 -0.3789 3.8394 3.8394 3.9760 3.9760 4.1223 4.1223 4.1480 4.1480 4.2975 4.2975 4.4605 4.4605 4.6037 4.6037 4.6756 4.6756 4.7754 4.7754 4.9970 4.9970 5.4707 5.4707 5.9602 5.9602 7.3828 7.3828 7.6811 7.6811 7.9217 7.9217 8.1286 8.1286 10.2434 10.2434 10.4702 10.4702 12.1688 12.1688 13.1454 13.1454 13.5203 13.5203 k = 0.4405 0.2543-0.0000 ( 4938 PWs) bands (ev): -25.8227 -25.8227 -25.8139 -25.8139 -8.7111 -8.7111 -8.6771 -8.6771 -7.6363 -7.6363 -7.5989 -7.5989 -7.5302 -7.5302 -7.4849 -7.4849 -0.5488 -0.5488 -0.3664 -0.3664 3.8577 3.8577 3.9879 3.9879 4.1222 4.1222 4.1493 4.1493 4.3012 4.3012 4.4762 4.4762 4.6063 4.6063 4.6783 4.6783 4.7666 4.7666 4.9906 4.9906 5.4306 5.4306 5.9126 5.9126 7.3531 7.3531 7.7382 7.7382 7.9040 7.9040 8.1101 8.1101 10.2308 10.2308 10.4308 10.4308 12.2048 12.2048 13.1601 13.1601 13.5218 13.5218 k = 0.4524 0.2612-0.0000 ( 4934 PWs) bands (ev): -25.8226 -25.8226 -25.8138 -25.8138 -8.7114 -8.7114 -8.6778 -8.6778 -7.6365 -7.6365 -7.6003 -7.6003 -7.5310 -7.5310 -7.4850 -7.4850 -0.5457 -0.5457 -0.3560 -0.3560 3.8737 3.8737 4.0004 4.0004 4.1159 4.1159 4.1541 4.1541 4.3039 4.3039 4.4907 4.4907 4.6086 4.6086 4.6814 4.6814 4.7568 4.7568 4.9848 4.9848 5.3982 5.3982 5.8727 5.8727 7.3285 7.3285 7.7907 7.7907 7.8902 7.8902 8.0891 8.0891 10.2202 10.2202 10.3976 10.3976 12.2356 12.2356 13.1746 13.1746 13.5175 13.5175 k = 0.4643 0.2681-0.0000 ( 4942 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7116 -8.7116 -8.6784 -8.6784 -7.6367 -7.6367 -7.6014 -7.6014 -7.5315 -7.5315 -7.4850 -7.4850 -0.5434 -0.5434 -0.3476 -0.3476 3.8866 3.8866 4.0138 4.0138 4.1057 4.1057 4.1599 4.1599 4.3057 4.3057 4.5034 4.5034 4.6104 4.6104 4.6848 4.6848 4.7466 4.7466 4.9799 4.9799 5.3735 5.3735 5.8411 5.8411 7.3092 7.3092 7.8355 7.8355 7.8835 7.8835 8.0654 8.0654 10.2119 10.2119 10.3711 10.3711 12.2607 12.2607 13.1874 13.1874 13.5108 13.5108 k = 0.4762 0.2749-0.0000 ( 4942 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7118 -8.7118 -8.6788 -8.6788 -7.6368 -7.6368 -7.6022 -7.6022 -7.5319 -7.5319 -7.4851 -7.4851 -0.5417 -0.5417 -0.3416 -0.3416 3.8960 3.8960 4.0284 4.0284 4.0932 4.0932 4.1649 4.1649 4.3067 4.3067 4.5135 4.5135 4.6116 4.6116 4.6885 4.6885 4.7372 4.7372 4.9761 4.9761 5.3560 5.3560 5.8182 5.8182 7.2953 7.2953 7.8554 7.8554 7.9011 7.9011 8.0385 8.0385 10.2059 10.2059 10.3519 10.3519 12.2792 12.2792 13.1976 13.1976 13.5043 13.5043 k = 0.4881 0.2818-0.0000 ( 4934 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7119 -8.7119 -8.6791 -8.6791 -7.6368 -7.6368 -7.6027 -7.6027 -7.5321 -7.5321 -7.4851 -7.4851 -0.5407 -0.5407 -0.3380 -0.3380 3.9015 3.9015 4.0434 4.0434 4.0796 4.0796 4.1681 4.1681 4.3072 4.3072 4.5202 4.5202 4.6123 4.6123 4.6917 4.6917 4.7300 4.7300 4.9738 4.9738 5.3457 5.3457 5.8043 5.8043 7.2869 7.2869 7.8553 7.8553 7.9378 7.9378 8.0084 8.0084 10.2023 10.2023 10.3402 10.3402 12.2905 12.2905 13.2042 13.2042 13.4998 13.4998 k = 0.5000 0.2887-0.0000 ( 4932 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7119 -8.7119 -8.6791 -8.6791 -7.6368 -7.6368 -7.6028 -7.6028 -7.5322 -7.5322 -7.4851 -7.4851 -0.5404 -0.5404 -0.3368 -0.3368 3.9034 3.9034 4.0532 4.0532 4.0702 4.0702 4.1693 4.1693 4.3074 4.3074 4.5225 4.5225 4.6125 4.6125 4.6932 4.6932 4.7271 4.7271 4.9730 4.9730 5.3423 5.3423 5.7997 5.7997 7.2841 7.2841 7.8544 7.8544 7.9714 7.9714 7.9778 7.9778 10.2011 10.2011 10.3363 10.3363 12.2944 12.2944 13.2064 13.2064 13.4981 13.4981 k = 0.5000 0.2887-0.0000 ( 4932 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7119 -8.7119 -8.6791 -8.6791 -7.6368 -7.6368 -7.6028 -7.6028 -7.5322 -7.5322 -7.4851 -7.4851 -0.5404 -0.5404 -0.3368 -0.3368 3.9034 3.9034 4.0532 4.0532 4.0702 4.0702 4.1693 4.1693 4.3074 4.3074 4.5225 4.5225 4.6125 4.6125 4.6932 4.6932 4.7271 4.7271 4.9730 4.9730 5.3423 5.3423 5.7997 5.7997 7.2841 7.2841 7.8544 7.8544 7.9714 7.9714 7.9778 7.9778 10.2011 10.2011 10.3363 10.3363 12.2944 12.2944 13.2064 13.2064 13.4981 13.4981 k = 0.4931 0.3007-0.0000 ( 4945 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7120 -8.7120 -8.6792 -8.6792 -7.6368 -7.6368 -7.6028 -7.6028 -7.5323 -7.5323 -7.4852 -7.4852 -0.5399 -0.5399 -0.3368 -0.3368 3.9033 3.9033 4.0518 4.0518 4.0703 4.0703 4.1720 4.1720 4.3075 4.3075 4.5225 4.5225 4.6125 4.6125 4.6930 4.6930 4.7273 4.7273 4.9738 4.9738 5.3425 5.3425 5.7988 5.7988 7.2825 7.2825 7.8445 7.8445 7.9710 7.9710 7.9784 7.9784 10.2112 10.2112 10.3388 10.3388 12.2961 12.2961 13.1896 13.1896 13.5015 13.5015 k = 0.4861 0.3127-0.0000 ( 4943 PWs) bands (ev): -25.8224 -25.8224 -25.8137 -25.8137 -8.7120 -8.7120 -8.6792 -8.6792 -7.6367 -7.6367 -7.6028 -7.6028 -7.5326 -7.5326 -7.4854 -7.4854 -0.5385 -0.5385 -0.3368 -0.3368 3.9030 3.9030 4.0479 4.0479 4.0708 4.0708 4.1798 4.1798 4.3078 4.3078 4.5227 4.5227 4.6125 4.6125 4.6926 4.6926 4.7279 4.7279 4.9763 4.9763 5.3431 5.3431 5.7963 5.7963 7.2780 7.2780 7.8150 7.8150 7.9703 7.9703 7.9800 7.9800 10.2409 10.2409 10.3466 10.3466 12.3011 12.3011 13.1431 13.1431 13.5115 13.5115 k = 0.4792 0.3248-0.0000 ( 4947 PWs) bands (ev): -25.8224 -25.8224 -25.8136 -25.8136 -8.7120 -8.7120 -8.6793 -8.6793 -7.6364 -7.6364 -7.6027 -7.6027 -7.5331 -7.5331 -7.4859 -7.4859 -0.5362 -0.5362 -0.3368 -0.3368 3.9027 3.9027 4.0426 4.0426 4.0712 4.0712 4.1918 4.1918 4.3084 4.3084 4.5229 4.5229 4.6125 4.6125 4.6919 4.6919 4.7291 4.7291 4.9805 4.9805 5.3442 5.3442 5.7922 5.7922 7.2703 7.2703 7.7669 7.7669 7.9698 7.9698 7.9827 7.9827 10.2873 10.2873 10.3609 10.3609 12.3091 12.3091 13.0754 13.0754 13.5281 13.5281 k = 0.4722 0.3368-0.0000 ( 4943 PWs) bands (ev): -25.8224 -25.8224 -25.8136 -25.8136 -8.7121 -8.7121 -8.6794 -8.6794 -7.6361 -7.6361 -7.6026 -7.6026 -7.5337 -7.5337 -7.4865 -7.4865 -0.5329 -0.5329 -0.3369 -0.3369 3.9024 3.9024 4.0366 4.0366 4.0716 4.0716 4.2073 4.2073 4.3093 4.3093 4.5232 4.5232 4.6122 4.6122 4.6909 4.6909 4.7314 4.7314 4.9863 4.9863 5.3457 5.3457 5.7866 5.7866 7.2598 7.2598 7.7025 7.7025 7.9698 7.9698 7.9864 7.9864 10.3410 10.3410 10.3885 10.3885 12.3199 12.3199 12.9943 12.9943 13.5512 13.5512 k = 0.4653 0.3488-0.0000 ( 4943 PWs) bands (ev): -25.8224 -25.8224 -25.8136 -25.8136 -8.7121 -8.7121 -8.6795 -8.6795 -7.6356 -7.6356 -7.6025 -7.6025 -7.5346 -7.5346 -7.4873 -7.4873 -0.5287 -0.5287 -0.3370 -0.3370 3.9022 3.9022 4.0305 4.0305 4.0721 4.0721 4.2252 4.2252 4.3104 4.3104 4.5235 4.5235 4.6114 4.6114 4.6893 4.6893 4.7349 4.7349 4.9938 4.9938 5.3477 5.3477 5.7794 5.7794 7.2464 7.2464 7.6243 7.6243 7.9704 7.9704 7.9911 7.9911 10.3793 10.3793 10.4493 10.4493 12.3329 12.3329 12.9052 12.9052 13.5807 13.5807 k = 0.4583 0.3608-0.0000 ( 4947 PWs) bands (ev): -25.8223 -25.8223 -25.8136 -25.8136 -8.7122 -8.7122 -8.6796 -8.6796 -7.6351 -7.6351 -7.6024 -7.6024 -7.5356 -7.5356 -7.4882 -7.4882 -0.5237 -0.5237 -0.3371 -0.3371 3.9022 3.9022 4.0244 4.0244 4.0726 4.0726 4.2451 4.2451 4.3119 4.3119 4.5238 4.5238 4.6099 4.6099 4.6872 4.6872 4.7402 4.7402 5.0028 5.0028 5.3500 5.3500 5.7709 5.7709 7.2301 7.2301 7.5354 7.5354 7.9715 7.9715 7.9966 7.9966 10.4083 10.4083 10.5346 10.5346 12.3474 12.3474 12.8117 12.8117 13.6162 13.6162 k = 0.4514 0.3729-0.0000 ( 4947 PWs) bands (ev): -25.8223 -25.8223 -25.8135 -25.8135 -8.7123 -8.7123 -8.6798 -8.6798 -7.6346 -7.6346 -7.6023 -7.6023 -7.5367 -7.5367 -7.4892 -7.4892 -0.5179 -0.5179 -0.3374 -0.3374 3.9026 3.9026 4.0186 4.0186 4.0732 4.0732 4.2661 4.2661 4.3140 4.3140 4.5240 4.5240 4.6076 4.6076 4.6845 4.6845 4.7475 4.7475 5.0134 5.0134 5.3529 5.3529 5.7611 5.7611 7.2108 7.2108 7.4385 7.4385 7.9730 7.9730 8.0029 8.0029 10.4385 10.4385 10.6313 10.6313 12.3626 12.3626 12.7158 12.7158 13.6576 13.6576 k = 0.4444 0.3849-0.0000 ( 4941 PWs) bands (ev): -25.8222 -25.8222 -25.8135 -25.8135 -8.7124 -8.7124 -8.6800 -8.6800 -7.6339 -7.6339 -7.6021 -7.6021 -7.5380 -7.5380 -7.4903 -7.4903 -0.5114 -0.5114 -0.3377 -0.3377 3.9035 3.9035 4.0131 4.0131 4.0740 4.0740 4.2872 4.2872 4.3174 4.3174 4.5243 4.5243 4.6044 4.6044 4.6812 4.6812 4.7572 4.7572 5.0255 5.0255 5.3563 5.3563 5.7502 5.7502 7.1876 7.1876 7.3368 7.3368 7.9750 7.9750 8.0100 8.0100 10.4719 10.4719 10.7351 10.7351 12.3778 12.3778 12.6190 12.6190 13.7044 13.7044 k = 0.4375 0.3969-0.0000 ( 4953 PWs) bands (ev): -25.8222 -25.8222 -25.8134 -25.8134 -8.7125 -8.7125 -8.6802 -8.6802 -7.6332 -7.6332 -7.6020 -7.6020 -7.5394 -7.5394 -7.4916 -7.4916 -0.5042 -0.5042 -0.3381 -0.3381 3.9051 3.9051 4.0080 4.0080 4.0750 4.0750 4.3048 4.3048 4.3250 4.3250 4.5244 4.5244 4.6003 4.6003 4.6772 4.6772 4.7693 4.7693 5.0391 5.0391 5.3602 5.3602 5.7382 5.7382 7.1546 7.1546 7.2382 7.2382 7.9775 7.9775 8.0177 8.0177 10.5088 10.5088 10.8439 10.8439 12.3921 12.3921 12.5223 12.5223 13.7559 13.7559 k = 0.4306 0.4090-0.0000 ( 4953 PWs) bands (ev): -25.8221 -25.8221 -25.8134 -25.8134 -8.7126 -8.7126 -8.6805 -8.6805 -7.6324 -7.6324 -7.6019 -7.6019 -7.5408 -7.5408 -7.4929 -7.4929 -0.4963 -0.4963 -0.3387 -0.3387 3.9073 3.9073 4.0034 4.0034 4.0760 4.0760 4.3137 4.3137 4.3418 4.3418 4.5245 4.5245 4.5954 4.5954 4.6727 4.6727 4.7839 4.7839 5.0543 5.0543 5.3646 5.3646 5.7254 5.7254 7.0850 7.0850 7.1716 7.1716 7.9804 7.9804 8.0258 8.0258 10.5493 10.5493 10.9559 10.9559 12.4047 12.4047 12.4263 12.4263 13.8093 13.8093 k = 0.4236 0.4210-0.0000 ( 4955 PWs) bands (ev): -25.8221 -25.8221 -25.8133 -25.8133 -8.7128 -8.7128 -8.6807 -8.6807 -7.6316 -7.6316 -7.6018 -7.6018 -7.5424 -7.5424 -7.4942 -7.4942 -0.4879 -0.4879 -0.3395 -0.3395 3.9102 3.9102 3.9992 3.9992 4.0769 4.0769 4.3184 4.3184 4.3627 4.3627 4.5246 4.5246 4.5899 4.5899 4.6677 4.6677 4.8010 4.8010 5.0708 5.0708 5.3697 5.3697 5.7119 5.7119 6.9802 6.9802 7.1368 7.1368 7.9837 7.9837 8.0343 8.0343 10.5931 10.5931 11.0698 11.0698 12.3316 12.3316 12.4146 12.4146 13.7877 13.7877 k = 0.4167 0.4330-0.0000 ( 4947 PWs) bands (ev): -25.8220 -25.8220 -25.8133 -25.8133 -8.7129 -8.7129 -8.6810 -8.6810 -7.6307 -7.6307 -7.6017 -7.6017 -7.5440 -7.5440 -7.4955 -7.4955 -0.4791 -0.4791 -0.3404 -0.3404 3.9139 3.9139 3.9956 3.9956 4.0778 4.0778 4.3226 4.3226 4.3837 4.3837 4.5248 4.5248 4.5839 4.5839 4.6623 4.6623 4.8205 4.8205 5.0888 5.0888 5.3755 5.3755 5.6979 5.6979 6.8671 6.8671 7.1084 7.1084 7.9876 7.9876 8.0430 8.0430 10.6400 10.6400 11.1846 11.1846 12.2385 12.2385 12.4215 12.4215 13.7251 13.7251 k = 0.4097 0.4450-0.0000 ( 4943 PWs) bands (ev): -25.8220 -25.8220 -25.8132 -25.8132 -8.7130 -8.7130 -8.6813 -8.6813 -7.6298 -7.6298 -7.6016 -7.6016 -7.5456 -7.5456 -7.4968 -7.4968 -0.4698 -0.4698 -0.3415 -0.3415 3.9185 3.9185 3.9925 3.9925 4.0784 4.0784 4.3269 4.3269 4.4035 4.4035 4.5250 4.5250 4.5777 4.5777 4.6565 4.6565 4.8424 4.8424 5.1083 5.1083 5.3820 5.3820 5.6835 5.6835 6.7521 6.7521 7.0814 7.0814 7.9920 7.9920 8.0516 8.0516 10.6898 10.6898 11.2994 11.2994 12.1474 12.1474 12.4246 12.4246 13.6598 13.6598 k = 0.4028 0.4571-0.0000 ( 4951 PWs) bands (ev): -25.8219 -25.8219 -25.8132 -25.8132 -8.7132 -8.7132 -8.6816 -8.6816 -7.6290 -7.6290 -7.6015 -7.6015 -7.5472 -7.5472 -7.4981 -7.4981 -0.4603 -0.4603 -0.3429 -0.3429 3.9237 3.9237 3.9900 3.9900 4.0787 4.0787 4.3316 4.3316 4.4214 4.4214 4.5253 4.5253 4.5716 4.5716 4.6503 4.6503 4.8663 4.8663 5.1293 5.1293 5.3894 5.3894 5.6690 5.6690 6.6371 6.6371 7.0549 7.0549 7.9969 7.9969 8.0600 8.0600 10.7422 10.7422 11.4133 11.4133 12.0584 12.0584 12.4239 12.4239 13.5930 13.5930 k = 0.3958 0.4691-0.0000 ( 4949 PWs) bands (ev): -25.8218 -25.8218 -25.8131 -25.8131 -8.7133 -8.7133 -8.6818 -8.6818 -7.6281 -7.6281 -7.6015 -7.6015 -7.5488 -7.5488 -7.4994 -7.4994 -0.4507 -0.4507 -0.3445 -0.3445 3.9297 3.9297 3.9881 3.9881 4.0784 4.0784 4.3367 4.3367 4.4369 4.4369 4.5256 4.5256 4.5661 4.5661 4.6439 4.6439 4.8917 4.8917 5.1519 5.1519 5.3978 5.3978 5.6544 5.6544 6.5232 6.5232 7.0292 7.0292 8.0023 8.0023 8.0680 8.0680 10.7969 10.7969 11.5256 11.5256 11.9719 11.9719 12.4193 12.4193 13.5259 13.5259 k = 0.3889 0.4811-0.0000 ( 4941 PWs) bands (ev): -25.8218 -25.8218 -25.8131 -25.8131 -8.7135 -8.7135 -8.6821 -8.6821 -7.6273 -7.6273 -7.6015 -7.6015 -7.5503 -7.5503 -7.5005 -7.5005 -0.4410 -0.4410 -0.3465 -0.3465 3.9362 3.9362 3.9869 3.9869 4.0776 4.0776 4.3424 4.3424 4.4498 4.4498 4.5254 4.5254 4.5618 4.5618 4.6374 4.6374 4.9182 4.9182 5.1761 5.1761 5.4077 5.4077 5.6399 5.6399 6.4113 6.4113 7.0044 7.0044 8.0083 8.0083 8.0754 8.0754 10.8535 10.8535 11.6352 11.6352 11.8882 11.8882 12.4110 12.4110 13.4591 13.4591 k = 0.3819 0.4932-0.0000 ( 4947 PWs) bands (ev): -25.8217 -25.8217 -25.8130 -25.8130 -8.7136 -8.7136 -8.6824 -8.6824 -7.6265 -7.6265 -7.6016 -7.6016 -7.5518 -7.5518 -7.5016 -7.5016 -0.4314 -0.4314 -0.3487 -0.3487 3.9430 3.9430 3.9865 3.9865 4.0761 4.0761 4.3485 4.3485 4.4598 4.4598 4.5242 4.5242 4.5593 4.5593 4.6308 4.6308 4.9447 4.9447 5.2019 5.2019 5.4192 5.4192 5.6258 5.6258 6.3021 6.3021 6.9809 6.9809 8.0148 8.0148 8.0818 8.0818 10.9115 10.9115 11.7391 11.7391 11.8097 11.8097 12.3994 12.3994 13.3937 13.3937 k = 0.3750 0.5052-0.0000 ( 4939 PWs) bands (ev): -25.8217 -25.8217 -25.8130 -25.8130 -8.7137 -8.7137 -8.6826 -8.6826 -7.6257 -7.6257 -7.6017 -7.6017 -7.5531 -7.5531 -7.5025 -7.5025 -0.4220 -0.4220 -0.3512 -0.3512 3.9499 3.9499 3.9872 3.9872 4.0737 4.0737 4.3549 4.3549 4.4673 4.4673 4.5217 4.5217 4.5592 4.5592 4.6242 4.6242 4.9704 4.9704 5.2292 5.2292 5.4329 5.4329 5.6123 5.6123 6.1964 6.1964 6.9593 6.9593 8.0219 8.0219 8.0870 8.0870 10.9706 10.9706 11.7252 11.7252 11.8476 11.8476 12.3848 12.3848 13.3307 13.3307 k = 0.3681 0.5172-0.0000 ( 4947 PWs) bands (ev): -25.8216 -25.8216 -25.8129 -25.8129 -8.7139 -8.7139 -8.6829 -8.6829 -7.6251 -7.6251 -7.6018 -7.6018 -7.5543 -7.5543 -7.5033 -7.5033 -0.4130 -0.4130 -0.3541 -0.3541 3.9562 3.9562 3.9894 3.9894 4.0704 4.0704 4.3613 4.3613 4.4726 4.4726 4.5180 4.5180 4.5610 4.5610 4.6178 4.6178 4.9942 4.9942 5.2570 5.2570 5.4497 5.4497 5.5996 5.5996 6.0953 6.0953 6.9398 6.9398 8.0295 8.0295 8.0907 8.0907 11.0304 11.0304 11.6510 11.6510 11.9431 11.9431 12.3678 12.3678 13.2717 13.2717 k = 0.3611 0.5292-0.0000 ( 4947 PWs) bands (ev): -25.8216 -25.8216 -25.8129 -25.8129 -8.7140 -8.7140 -8.6831 -8.6831 -7.6245 -7.6245 -7.6019 -7.6019 -7.5553 -7.5553 -7.5040 -7.5040 -0.4044 -0.4044 -0.3572 -0.3572 3.9613 3.9613 3.9934 3.9934 4.0661 4.0661 4.3676 4.3676 4.4762 4.4762 4.5140 4.5140 4.5640 4.5640 4.6115 4.6115 5.0152 5.0152 5.2844 5.2844 5.4703 5.4703 5.5880 5.5880 6.0001 6.0001 6.9231 6.9231 8.0375 8.0375 8.0926 8.0926 11.0903 11.0903 11.5791 11.5791 12.0320 12.0320 12.3490 12.3490 13.2182 13.2182 k = 0.3542 0.5413-0.0000 ( 4951 PWs) bands (ev): -25.8216 -25.8216 -25.8129 -25.8129 -8.7140 -8.7140 -8.6832 -8.6832 -7.6241 -7.6241 -7.6020 -7.6020 -7.5561 -7.5561 -7.5045 -7.5045 -0.3966 -0.3966 -0.3606 -0.3606 3.9649 3.9649 3.9994 3.9994 4.0608 4.0608 4.3733 4.3733 4.4784 4.4784 4.5103 4.5103 4.5676 4.5676 4.6057 4.6057 5.0326 5.0326 5.3092 5.3092 5.4952 5.4952 5.5781 5.5781 5.9128 5.9128 6.9094 6.9094 8.0461 8.0461 8.0925 8.0925 11.1500 11.1500 11.5104 11.5104 12.1112 12.1112 12.3288 12.3288 13.1725 13.1725 k = 0.3472 0.5533-0.0000 ( 4959 PWs) bands (ev): -25.8215 -25.8215 -25.8129 -25.8129 -8.7141 -8.7141 -8.6834 -8.6834 -7.6238 -7.6238 -7.6021 -7.6021 -7.5567 -7.5567 -7.5049 -7.5049 -0.3898 -0.3898 -0.3641 -0.3641 3.9670 3.9670 4.0066 4.0066 4.0548 4.0548 4.3780 4.3780 4.4797 4.4797 4.5073 4.5073 4.5713 4.5713 4.6003 4.6003 5.0457 5.0457 5.3295 5.3295 5.5229 5.5229 5.5706 5.5706 5.8371 5.8371 6.8992 6.8992 8.0549 8.0549 8.0901 8.0901 11.2089 11.2089 11.4451 11.4451 12.1773 12.1773 12.3080 12.3080 13.1371 13.1371 k = 0.3403 0.5653-0.0000 ( 4945 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7141 -8.7141 -8.6835 -8.6835 -7.6236 -7.6236 -7.6022 -7.6022 -7.5570 -7.5570 -7.5051 -7.5051 -0.3846 -0.3846 -0.3672 -0.3672 3.9682 3.9682 4.0136 4.0136 4.0491 4.0491 4.3812 4.3812 4.4803 4.4803 4.5054 4.5054 4.5748 4.5748 4.5959 4.5959 5.0539 5.0539 5.3433 5.3433 5.5456 5.5456 5.5685 5.5685 5.7809 5.7809 6.8928 6.8928 8.0637 8.0637 8.0855 8.0855 11.2665 11.2665 11.3838 11.3838 12.2260 12.2260 12.2881 12.2881 13.1148 13.1148 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7142 -8.7142 -8.6835 -8.6835 -7.6235 -7.6235 -7.6022 -7.6022 -7.5572 -7.5572 -7.5052 -7.5052 -0.3825 -0.3825 -0.3686 -0.3686 3.9686 3.9686 4.0169 4.0169 4.0461 4.0461 4.3823 4.3823 4.4805 4.4805 4.5048 4.5048 4.5765 4.5765 4.5939 4.5939 5.0568 5.0568 5.3484 5.3484 5.5512 5.5512 5.5721 5.5721 5.7590 5.7590 6.8907 6.8907 8.0694 8.0694 8.0812 8.0812 11.3135 11.3135 11.3356 11.3356 12.2470 12.2470 12.2769 12.2769 13.1073 13.1073 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7142 -8.7142 -8.6835 -8.6835 -7.6235 -7.6235 -7.6022 -7.6022 -7.5572 -7.5572 -7.5052 -7.5052 -0.3825 -0.3825 -0.3686 -0.3686 3.9686 3.9686 4.0169 4.0169 4.0461 4.0461 4.3823 4.3823 4.4805 4.4805 4.5048 4.5048 4.5765 4.5765 4.5939 4.5939 5.0568 5.0568 5.3484 5.3484 5.5512 5.5512 5.5721 5.5721 5.7590 5.7590 6.8907 6.8907 8.0694 8.0694 8.0812 8.0812 11.3135 11.3135 11.3356 11.3356 12.2470 12.2470 12.2769 12.2769 13.1073 13.1073 k = 0.3264 0.5653-0.0000 ( 4945 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7141 -8.7141 -8.6835 -8.6835 -7.6236 -7.6236 -7.6022 -7.6022 -7.5570 -7.5570 -7.5051 -7.5051 -0.3844 -0.3844 -0.3675 -0.3675 3.9682 3.9682 4.0131 4.0131 4.0495 4.0495 4.3811 4.3811 4.4804 4.4804 4.5054 4.5054 4.5744 4.5744 4.5963 4.5963 5.0538 5.0538 5.3425 5.3425 5.5490 5.5490 5.5680 5.5680 5.7791 5.7791 6.8929 6.8929 8.0621 8.0621 8.0870 8.0870 11.2691 11.2691 11.3812 11.3812 12.2342 12.2342 12.2800 12.2800 13.1142 13.1142 k = 0.3194 0.5533-0.0000 ( 4953 PWs) bands (ev): -25.8215 -25.8215 -25.8129 -25.8129 -8.7141 -8.7141 -8.6834 -8.6834 -7.6238 -7.6238 -7.6021 -7.6021 -7.5567 -7.5567 -7.5049 -7.5049 -0.3887 -0.3887 -0.3655 -0.3655 3.9668 3.9668 4.0039 4.0039 4.0571 4.0571 4.3776 4.3776 4.4800 4.4800 4.5069 4.5069 4.5692 4.5692 4.6024 4.6024 5.0446 5.0446 5.3249 5.3249 5.5439 5.5439 5.5672 5.5672 5.8271 5.8271 6.8997 6.8997 8.0476 8.0476 8.0966 8.0966 11.2193 11.2193 11.4349 11.4349 12.2139 12.2139 12.2728 12.2728 13.1325 13.1325 k = 0.3125 0.5413-0.0000 ( 4947 PWs) bands (ev): -25.8216 -25.8216 -25.8129 -25.8129 -8.7140 -8.7140 -8.6832 -8.6832 -7.6240 -7.6240 -7.6018 -7.6018 -7.5561 -7.5561 -7.5046 -7.5046 -0.3942 -0.3942 -0.3642 -0.3642 3.9637 3.9637 3.9930 3.9930 4.0661 4.0661 4.3719 4.3719 4.4793 4.4793 4.5092 4.5092 4.5623 4.5623 4.6105 4.6105 5.0293 5.0293 5.2985 5.2985 5.5433 5.5433 5.5739 5.5739 5.8893 5.8893 6.9113 6.9113 8.0288 8.0288 8.1068 8.1068 11.1733 11.1733 11.4877 11.4877 12.1928 12.1928 12.2519 12.2519 13.1565 13.1565 k = 0.3056 0.5292-0.0000 ( 4939 PWs) bands (ev): -25.8216 -25.8216 -25.8129 -25.8129 -8.7139 -8.7139 -8.6829 -8.6829 -7.6244 -7.6244 -7.6015 -7.6015 -7.5552 -7.5552 -7.5041 -7.5041 -0.4002 -0.4002 -0.3641 -0.3641 3.9571 3.9571 3.9831 3.9831 4.0753 4.0753 4.3645 4.3645 4.4776 4.4776 4.5122 4.5122 4.5546 4.5546 4.6199 4.6199 5.0084 5.0084 5.2687 5.2687 5.5505 5.5505 5.5858 5.5858 5.9597 5.9597 6.9276 6.9276 8.0059 8.0059 8.1173 8.1173 11.1314 11.1314 11.5395 11.5395 12.1717 12.1717 12.2206 12.2206 13.1798 13.1798 k = 0.2986 0.5172-0.0000 ( 4935 PWs) bands (ev): -25.8217 -25.8217 -25.8130 -25.8130 -8.7137 -8.7137 -8.6826 -8.6826 -7.6249 -7.6249 -7.6010 -7.6010 -7.5542 -7.5542 -7.5036 -7.5036 -0.4066 -0.4066 -0.3655 -0.3655 3.9452 3.9452 3.9763 3.9763 4.0842 4.0842 4.3556 4.3556 4.4743 4.4743 4.5155 4.5155 4.5464 4.5464 4.6298 4.6298 4.9834 4.9834 5.2394 5.2394 5.5648 5.5648 5.6022 5.6022 6.0355 6.0355 6.9485 6.9485 7.9789 7.9789 8.1278 8.1278 11.0939 11.0939 11.5907 11.5907 12.1500 12.1500 12.1830 12.1830 13.1961 13.1961 k = 0.2917 0.5052-0.0000 ( 4925 PWs) bands (ev): -25.8217 -25.8217 -25.8130 -25.8130 -8.7135 -8.7135 -8.6821 -8.6821 -7.6254 -7.6254 -7.6004 -7.6004 -7.5530 -7.5530 -7.5029 -7.5029 -0.4135 -0.4135 -0.3685 -0.3685 3.9291 3.9291 3.9718 3.9718 4.0924 4.0924 4.3458 4.3458 4.4683 4.4683 4.5191 4.5191 4.5386 4.5386 4.6397 4.6397 4.9563 4.9563 5.2123 5.2123 5.5850 5.5850 5.6227 5.6227 6.1155 6.1155 6.9741 6.9741 7.9478 7.9478 8.1382 8.1382 11.0609 11.0609 11.6418 11.6418 12.1228 12.1228 12.1466 12.1466 13.2003 13.2003 k = 0.2847 0.4932-0.0000 ( 4927 PWs) bands (ev): -25.8218 -25.8218 -25.8131 -25.8131 -8.7133 -8.7133 -8.6816 -8.6816 -7.6259 -7.6259 -7.5997 -7.5997 -7.5515 -7.5515 -7.5022 -7.5022 -0.4206 -0.4206 -0.3732 -0.3732 3.9106 3.9106 3.9680 3.9680 4.0998 4.0998 4.3352 4.3352 4.4587 4.4587 4.5228 4.5228 4.5318 4.5318 4.6490 4.6490 4.9289 4.9289 5.1878 5.1878 5.6109 5.6109 5.6471 5.6471 6.1990 6.1990 7.0042 7.0042 7.9124 7.9124 8.1485 8.1485 11.0325 11.0325 11.6931 11.6931 12.0815 12.0815 12.1222 12.1222 13.1892 13.1892 k = 0.2778 0.4811-0.0000 ( 4923 PWs) bands (ev): -25.8219 -25.8219 -25.8132 -25.8132 -8.7130 -8.7130 -8.6809 -8.6809 -7.6264 -7.6264 -7.5987 -7.5987 -7.5500 -7.5500 -7.5014 -7.5014 -0.4280 -0.4280 -0.3797 -0.3797 3.8905 3.8905 3.9640 3.9640 4.1064 4.1064 4.3243 4.3243 4.4451 4.4451 4.5254 4.5254 4.5274 4.5274 4.6572 4.6572 4.9030 4.9030 5.1659 5.1659 5.6421 5.6421 5.6755 5.6755 6.2852 6.2852 7.0387 7.0387 7.8729 7.8729 8.1585 8.1585 11.0088 11.0088 11.7451 11.7451 12.0334 12.0334 12.1037 12.1037 13.1621 13.1621 k = 0.2708 0.4691-0.0000 ( 4931 PWs) bands (ev): -25.8220 -25.8220 -25.8133 -25.8133 -8.7126 -8.7126 -8.6802 -8.6802 -7.6270 -7.6270 -7.5976 -7.5976 -7.5482 -7.5482 -7.5006 -7.5006 -0.4356 -0.4356 -0.3881 -0.3881 3.8695 3.8695 3.9596 3.9596 4.1119 4.1119 4.3133 4.3133 4.4277 4.4277 4.5207 4.5207 4.5310 4.5310 4.6638 4.6638 4.8798 4.8798 5.1464 5.1464 5.6786 5.6786 5.7079 5.7079 6.3740 6.3740 7.0773 7.0773 7.8293 7.8293 8.1681 8.1681 10.9900 10.9900 11.7982 11.7982 11.9833 11.9833 12.0875 12.0875 13.1200 13.1200 k = 0.2639 0.4571-0.0000 ( 4931 PWs) bands (ev): -25.8222 -25.8222 -25.8134 -25.8134 -8.7122 -8.7122 -8.6793 -8.6793 -7.6276 -7.6276 -7.5963 -7.5963 -7.5463 -7.5463 -7.4996 -7.4996 -0.4434 -0.4434 -0.3984 -0.3984 3.8479 3.8479 3.9543 3.9543 4.1165 4.1165 4.3024 4.3024 4.4076 4.4076 4.5153 4.5153 4.5351 4.5351 4.6686 4.6686 4.8599 4.8599 5.1291 5.1291 5.7202 5.7202 5.7444 5.7444 6.4648 6.4648 7.1199 7.1199 7.7817 7.7817 8.1773 8.1773 10.9761 10.9761 11.8527 11.8527 11.9328 11.9328 12.0729 12.0729 13.0650 13.0650 k = 0.2569 0.4450-0.0000 ( 4935 PWs) bands (ev): -25.8223 -25.8223 -25.8135 -25.8135 -8.7118 -8.7118 -8.6783 -8.6783 -7.6281 -7.6281 -7.5947 -7.5947 -7.5443 -7.5443 -7.4987 -7.4987 -0.4513 -0.4513 -0.4107 -0.4107 3.8261 3.8261 3.9482 3.9482 4.1201 4.1201 4.2919 4.2919 4.3855 4.3855 4.5088 4.5088 4.5394 4.5394 4.6713 4.6713 4.8438 4.8438 5.1141 5.1141 5.7670 5.7670 5.7853 5.7853 6.5575 6.5575 7.1662 7.1662 7.7305 7.7305 8.1861 8.1861 10.9671 10.9671 11.8814 11.8814 11.9099 11.9099 12.0597 12.0597 12.9996 12.9996 k = 0.2500 0.4330-0.0000 ( 4935 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7113 -8.7113 -8.6772 -8.6772 -7.6286 -7.6286 -7.5930 -7.5930 -7.5421 -7.5421 -7.4977 -7.4977 -0.4594 -0.4594 -0.4248 -0.4248 3.8044 3.8044 3.9410 3.9410 4.1227 4.1227 4.2817 4.2817 4.3624 4.3624 4.5004 4.5004 4.5438 4.5438 4.6720 4.6720 4.8311 4.8311 5.1013 5.1013 5.8184 5.8184 5.8309 5.8309 6.6519 6.6519 7.2161 7.2161 7.6757 7.6757 8.1943 8.1943 10.9632 10.9632 11.8319 11.8319 11.9668 11.9668 12.0488 12.0488 12.9263 12.9263 k = 0.2431 0.4210-0.0000 ( 4931 PWs) bands (ev): -25.8226 -25.8226 -25.8138 -25.8138 -8.7108 -8.7108 -8.6760 -8.6760 -7.6291 -7.6291 -7.5910 -7.5910 -7.5399 -7.5399 -7.4968 -7.4968 -0.4677 -0.4677 -0.4407 -0.4407 3.7830 3.7830 3.9327 3.9327 4.1245 4.1245 4.2717 4.2717 4.3391 4.3391 4.4898 4.4898 4.5484 4.5484 4.6712 4.6712 4.8215 4.8215 5.0906 5.0906 5.8731 5.8731 5.8828 5.8828 6.7476 6.7476 7.2694 7.2694 7.6176 7.6176 8.2020 8.2020 10.9644 10.9644 11.7829 11.7829 12.0162 12.0162 12.0492 12.0492 12.8469 12.8469 k = 0.2361 0.4090-0.0000 ( 4929 PWs) bands (ev): -25.8228 -25.8228 -25.8140 -25.8140 -8.7102 -8.7102 -8.6747 -8.6747 -7.6296 -7.6296 -7.5888 -7.5888 -7.5375 -7.5375 -7.4958 -7.4958 -0.4762 -0.4762 -0.4583 -0.4583 3.7623 3.7623 3.9232 3.9232 4.1254 4.1254 4.2617 4.2617 4.3165 4.3165 4.4769 4.4769 4.5531 4.5531 4.6692 4.6692 4.8144 4.8144 5.0819 5.0819 5.9292 5.9292 5.9428 5.9428 6.8444 6.8444 7.3257 7.3257 7.5567 7.5567 8.2091 8.2091 10.9706 10.9706 11.7349 11.7349 12.0196 12.0196 12.0990 12.0990 12.7630 12.7630 k = 0.2292 0.3969-0.0000 ( 4937 PWs) bands (ev): -25.8230 -25.8230 -25.8142 -25.8142 -8.7096 -8.7096 -8.6733 -8.6733 -7.6300 -7.6300 -7.5864 -7.5864 -7.5350 -7.5350 -7.4948 -7.4948 -0.4858 -0.4858 -0.4765 -0.4765 3.7424 3.7424 3.9123 3.9123 4.1256 4.1256 4.2505 4.2505 4.2960 4.2960 4.4616 4.4616 4.5579 4.5579 4.6665 4.6665 4.8089 4.8089 5.0751 5.0751 5.9879 5.9879 6.0093 6.0093 6.9422 6.9422 7.3843 7.3843 7.4938 7.4938 8.2157 8.2157 10.9819 10.9819 11.6881 11.6881 12.0116 12.0116 12.1633 12.1633 12.6760 12.6760 k = 0.2222 0.3849-0.0000 ( 4925 PWs) bands (ev): -25.8232 -25.8232 -25.8143 -25.8143 -8.7090 -8.7090 -8.6718 -8.6718 -7.6304 -7.6304 -7.5837 -7.5837 -7.5324 -7.5324 -7.4938 -7.4938 -0.5022 -0.5022 -0.4897 -0.4897 3.7237 3.7237 3.9001 3.9001 4.1251 4.1251 4.2366 4.2366 4.2794 4.2794 4.4445 4.4445 4.5629 4.5629 4.6636 4.6636 4.8045 4.8045 5.0699 5.0699 6.0506 6.0506 6.0811 6.0811 7.0406 7.0406 7.4177 7.4177 7.4565 7.4565 8.2217 8.2217 10.9982 10.9982 11.6427 11.6427 12.0031 12.0031 12.2309 12.2309 12.5871 12.5871 k = 0.2153 0.3729-0.0000 ( 4917 PWs) bands (ev): -25.8234 -25.8234 -25.8145 -25.8145 -8.7083 -8.7083 -8.6701 -8.6701 -7.6308 -7.6308 -7.5809 -7.5809 -7.5297 -7.5297 -7.4928 -7.4928 -0.5244 -0.5244 -0.4986 -0.4986 3.7062 3.7062 3.8866 3.8866 4.1240 4.1240 4.2194 4.2194 4.2677 4.2677 4.4259 4.4259 4.5680 4.5680 4.6607 4.6607 4.8008 4.8008 5.0660 5.0660 6.1174 6.1174 6.1577 6.1577 7.1394 7.1394 7.3550 7.3550 7.5161 7.5161 8.2272 8.2272 11.0194 11.0194 11.5989 11.5989 11.9948 11.9948 12.2994 12.2994 12.4983 12.4983 k = 0.2083 0.3608-0.0000 ( 4917 PWs) bands (ev): -25.8237 -25.8237 -25.8147 -25.8147 -8.7076 -8.7076 -8.6684 -8.6684 -7.6311 -7.6311 -7.5778 -7.5778 -7.5270 -7.5270 -7.4918 -7.4918 -0.5488 -0.5488 -0.5067 -0.5067 3.6900 3.6900 3.8718 3.8718 4.1220 4.1220 4.1999 4.1999 4.2596 4.2596 4.4064 4.4064 4.5732 4.5732 4.6580 4.6580 4.7973 4.7973 5.0634 5.0634 6.1884 6.1884 6.2388 6.2388 7.2384 7.2384 7.2852 7.2852 7.5835 7.5835 8.2321 8.2321 11.0455 11.0455 11.5566 11.5566 11.9867 11.9867 12.3539 12.3539 12.4250 12.4250 k = 0.2014 0.3488-0.0000 ( 4915 PWs) bands (ev): -25.8239 -25.8239 -25.8150 -25.8150 -8.7069 -8.7069 -8.6666 -8.6666 -7.6314 -7.6314 -7.5746 -7.5746 -7.5241 -7.5241 -7.4909 -7.4909 -0.5746 -0.5746 -0.5146 -0.5146 3.6753 3.6753 3.8558 3.8558 4.1193 4.1193 4.1796 4.1796 4.2540 4.2540 4.3867 4.3867 4.5785 4.5785 4.6555 4.6555 4.7938 4.7938 5.0617 5.0617 6.2635 6.2635 6.3243 6.3243 7.2131 7.2131 7.3376 7.3376 7.6539 7.6539 8.2367 8.2367 11.0763 11.0763 11.5159 11.5159 11.9785 11.9785 12.2999 12.2999 12.4618 12.4618 k = 0.1944 0.3368-0.0000 ( 4921 PWs) bands (ev): -25.8242 -25.8242 -25.8152 -25.8152 -8.7061 -8.7061 -8.6647 -8.6647 -7.6317 -7.6317 -7.5711 -7.5711 -7.5212 -7.5212 -7.4900 -7.4900 -0.6017 -0.6017 -0.5223 -0.5223 3.6622 3.6622 3.8388 3.8388 4.1153 4.1153 4.1594 4.1594 4.2498 4.2498 4.3674 4.3674 4.5838 4.5838 4.6532 4.6532 4.7901 4.7901 5.0609 5.0609 6.3425 6.3425 6.4138 6.4138 7.1398 7.1398 7.4362 7.4362 7.7268 7.7268 8.2409 8.2409 11.1117 11.1117 11.4770 11.4770 11.9701 11.9701 12.2111 12.2111 12.5351 12.5351 k = 0.1875 0.3248-0.0000 ( 4917 PWs) bands (ev): -25.8244 -25.8244 -25.8154 -25.8154 -8.7054 -8.7054 -8.6628 -8.6628 -7.6319 -7.6319 -7.5674 -7.5674 -7.5182 -7.5182 -7.4891 -7.4891 -0.6299 -0.6299 -0.5297 -0.5297 3.6505 3.6505 3.8209 3.8209 4.1096 4.1096 4.1402 4.1402 4.2466 4.2466 4.3491 4.3491 4.5891 4.5891 4.6514 4.6514 4.7862 4.7862 5.0606 5.0606 6.4254 6.4254 6.5073 6.5073 7.0655 7.0655 7.5343 7.5343 7.8020 7.8020 8.2448 8.2448 11.1514 11.1514 11.4400 11.4400 11.9612 11.9612 12.1203 12.1203 12.6123 12.6123 k = 0.1806 0.3127-0.0000 ( 4917 PWs) bands (ev): -25.8247 -25.8247 -25.8157 -25.8157 -8.7046 -8.7046 -8.6607 -8.6607 -7.6322 -7.6322 -7.5636 -7.5636 -7.5152 -7.5152 -7.4883 -7.4883 -0.6591 -0.6591 -0.5369 -0.5369 3.6403 3.6403 3.8023 3.8023 4.1008 4.1008 4.1231 4.1231 4.2443 4.2443 4.3323 4.3323 4.5943 4.5943 4.6500 4.6500 4.7820 4.7820 5.0609 5.0609 6.5119 6.5119 6.6045 6.6045 6.9906 6.9906 7.6316 7.6316 7.8793 7.8793 8.2485 8.2485 11.1951 11.1951 11.4050 11.4050 11.9513 11.9513 12.0297 12.0297 12.6907 12.6907 k = 0.1736 0.3007-0.0000 ( 4913 PWs) bands (ev): -25.8250 -25.8250 -25.8159 -25.8159 -8.7038 -8.7038 -8.6587 -8.6587 -7.6324 -7.6324 -7.5596 -7.5596 -7.5121 -7.5121 -7.4875 -7.4875 -0.6890 -0.6890 -0.5440 -0.5440 3.6316 3.6316 3.7831 3.7831 4.0879 4.0879 4.1092 4.1092 4.2427 4.2427 4.3177 4.3177 4.5993 4.5993 4.6490 4.6490 4.7776 4.7776 5.0615 5.0615 6.6019 6.6019 6.7050 6.7050 6.9156 6.9156 7.7277 7.7277 7.9586 7.9586 8.2521 8.2521 11.2420 11.2420 11.3727 11.3727 11.9370 11.9370 11.9432 11.9432 12.7694 12.7694 k = 0.1667 0.2887-0.0000 ( 4923 PWs) bands (ev): -25.8253 -25.8253 -25.8162 -25.8162 -8.7030 -8.7030 -8.6566 -8.6566 -7.6326 -7.6326 -7.5555 -7.5555 -7.5089 -7.5089 -7.4867 -7.4867 -0.7194 -0.7194 -0.5507 -0.5507 3.6242 3.6242 3.7635 3.7635 4.0717 4.0717 4.0975 4.0975 4.2415 4.2415 4.3056 4.3056 4.6039 4.6039 4.6488 4.6488 4.7729 4.7729 5.0625 5.0625 6.6948 6.6948 6.8035 6.8035 6.8461 6.8461 7.8226 7.8226 8.0396 8.0396 8.2556 8.2556 11.2881 11.2881 11.3470 11.3470 11.8516 11.8516 11.9275 11.9275 12.8469 12.8469 k = 0.1597 0.2766-0.0000 ( 4927 PWs) bands (ev): -25.8256 -25.8256 -25.8164 -25.8164 -8.7022 -8.7022 -8.6544 -8.6544 -7.6328 -7.6328 -7.5513 -7.5513 -7.5057 -7.5057 -7.4859 -7.4859 -0.7502 -0.7502 -0.5572 -0.5572 3.6181 3.6181 3.7436 3.7436 4.0544 4.0544 4.0859 4.0859 4.2404 4.2404 4.2965 4.2965 4.6081 4.6081 4.6493 4.6493 4.7679 4.7679 5.0636 5.0636 6.7571 6.7571 6.7954 6.7954 6.9204 6.9204 7.9158 7.9158 8.1221 8.1221 8.2592 8.2592 11.2978 11.2978 11.3632 11.3632 11.7652 11.7652 11.9123 11.9123 12.9215 12.9215 k = 0.1528 0.2646-0.0000 ( 4921 PWs) bands (ev): -25.8258 -25.8258 -25.8167 -25.8167 -8.7014 -8.7014 -8.6523 -8.6523 -7.6330 -7.6330 -7.5469 -7.5469 -7.5025 -7.5025 -7.4852 -7.4852 -0.7813 -0.7813 -0.5635 -0.5635 3.6131 3.6131 3.7238 3.7238 4.0368 4.0368 4.0738 4.0738 4.2391 4.2391 4.2907 4.2907 4.6116 4.6116 4.6507 4.6507 4.7628 4.7628 5.0649 5.0649 6.6850 6.6850 6.8922 6.8922 7.0307 7.0307 8.0072 8.0072 8.2058 8.2058 8.2629 8.2629 11.2746 11.2746 11.4174 11.4174 11.6807 11.6807 11.8944 11.8944 12.9899 12.9899 k = 0.1458 0.2526-0.0000 ( 4919 PWs) bands (ev): -25.8261 -25.8261 -25.8169 -25.8169 -8.7007 -8.7007 -8.6501 -8.6501 -7.6332 -7.6332 -7.5425 -7.5425 -7.4992 -7.4992 -7.4846 -7.4846 -0.8123 -0.8123 -0.5694 -0.5694 3.6090 3.6090 3.7041 3.7041 4.0192 4.0192 4.0612 4.0612 4.2370 4.2370 4.2883 4.2883 4.6145 4.6145 4.6532 4.6532 4.7576 4.7576 5.0664 5.0664 6.6103 6.6103 6.9942 6.9942 7.1446 7.1446 8.0966 8.0966 8.2663 8.2663 8.2909 8.2909 11.2493 11.2493 11.4785 11.4785 11.5986 11.5986 11.8733 11.8733 13.0459 13.0459 k = 0.1389 0.2406-0.0000 ( 4915 PWs) bands (ev): -25.8264 -25.8264 -25.8172 -25.8172 -8.6999 -8.6999 -8.6479 -8.6479 -7.6334 -7.6334 -7.5380 -7.5380 -7.4960 -7.4960 -7.4839 -7.4839 -0.8432 -0.8432 -0.5751 -0.5751 3.6057 3.6057 3.6847 3.6847 4.0019 4.0019 4.0484 4.0484 4.2341 4.2341 4.2891 4.2891 4.6166 4.6166 4.6566 4.6566 4.7524 4.7524 5.0679 5.0679 6.5360 6.5360 7.0988 7.0988 7.2616 7.2616 8.1835 8.1835 8.2704 8.2704 8.3764 8.3764 11.2248 11.2248 11.5188 11.5188 11.5436 11.5436 11.8486 11.8486 13.0797 13.0797 k = 0.1319 0.2285-0.0000 ( 4921 PWs) bands (ev): -25.8267 -25.8267 -25.8174 -25.8174 -8.6992 -8.6992 -8.6458 -8.6458 -7.6336 -7.6336 -7.5335 -7.5335 -7.4928 -7.4928 -7.4834 -7.4834 -0.8738 -0.8738 -0.5805 -0.5805 3.6029 3.6029 3.6659 3.6659 3.9847 3.9847 4.0358 4.0358 4.2304 4.2304 4.2926 4.2926 4.6181 4.6181 4.6608 4.6608 4.7472 4.7472 5.0695 5.0695 6.4625 6.4625 7.2059 7.2059 7.3814 7.3814 8.2668 8.2668 8.2754 8.2754 8.4627 8.4627 11.2014 11.2014 11.4426 11.4426 11.6103 11.6103 11.8199 11.8199 13.0843 13.0843 k = 0.1250 0.2165-0.0000 ( 4925 PWs) bands (ev): -25.8270 -25.8270 -25.8177 -25.8177 -8.6985 -8.6985 -8.6437 -8.6437 -7.6338 -7.6338 -7.5290 -7.5290 -7.4896 -7.4896 -7.4828 -7.4828 -0.9039 -0.9039 -0.5856 -0.5856 3.6001 3.6001 3.6481 3.6481 3.9678 3.9678 4.0237 4.0237 4.2264 4.2264 4.2982 4.2982 4.6192 4.6192 4.6658 4.6658 4.7421 4.7421 5.0711 5.0711 6.3901 6.3901 7.3150 7.3150 7.5038 7.5038 8.2788 8.2788 8.3487 8.3487 8.5496 8.5496 11.1786 11.1786 11.3700 11.3700 11.6777 11.6777 11.7882 11.7882 13.0653 13.0653 k = 0.1181 0.2045-0.0000 ( 4925 PWs) bands (ev): -25.8273 -25.8273 -25.8179 -25.8179 -8.6978 -8.6978 -8.6416 -8.6416 -7.6339 -7.6339 -7.5245 -7.5245 -7.4865 -7.4865 -7.4822 -7.4822 -0.9333 -0.9333 -0.5904 -0.5904 3.5966 3.5966 3.6322 3.6322 3.9513 3.9513 4.0124 4.0124 4.2221 4.2221 4.3053 4.3053 4.6200 4.6200 4.6711 4.6711 4.7373 4.7373 5.0727 5.0727 6.3189 6.3189 7.4261 7.4261 7.6286 7.6286 8.2834 8.2834 8.4259 8.4259 8.6371 8.6371 11.1551 11.1551 11.3025 11.3025 11.7243 11.7243 11.7740 11.7740 13.0335 13.0335 k = 0.1111 0.1925-0.0000 ( 4925 PWs) bands (ev): -25.8275 -25.8275 -25.8182 -25.8182 -8.6972 -8.6972 -8.6396 -8.6396 -7.6341 -7.6341 -7.5201 -7.5201 -7.4836 -7.4836 -7.4814 -7.4814 -0.9619 -0.9619 -0.5949 -0.5949 3.5906 3.5906 3.6197 3.6197 3.9352 3.9352 4.0021 4.0021 4.2178 4.2178 4.3135 4.3135 4.6207 4.6207 4.6767 4.6767 4.7329 4.7329 5.0744 5.0744 6.2492 6.2492 7.5387 7.5387 7.7557 7.7557 8.2883 8.2883 8.4990 8.4990 8.7251 8.7251 11.1276 11.1276 11.2432 11.2432 11.6934 11.6934 11.8330 11.8330 12.9963 12.9963 k = 0.1042 0.1804-0.0000 ( 4921 PWs) bands (ev): -25.8278 -25.8278 -25.8184 -25.8184 -8.6966 -8.6966 -8.6376 -8.6376 -7.6343 -7.6343 -7.5157 -7.5157 -7.4820 -7.4820 -7.4796 -7.4796 -0.9896 -0.9896 -0.5991 -0.5991 3.5804 3.5804 3.6123 3.6123 3.9196 3.9196 3.9928 3.9928 4.2135 4.2135 4.3225 4.3225 4.6213 4.6213 4.6821 4.6821 4.7294 4.7294 5.0761 5.0761 6.1812 6.1812 7.6526 7.6526 7.8849 7.8849 8.2933 8.2933 8.5674 8.5674 8.8136 8.8136 11.0905 11.0905 11.1975 11.1975 11.6444 11.6444 11.9052 11.9052 12.9574 12.9574 k = 0.0972 0.1684-0.0000 ( 4917 PWs) bands (ev): -25.8280 -25.8280 -25.8186 -25.8186 -8.6960 -8.6960 -8.6357 -8.6357 -7.6345 -7.6345 -7.5114 -7.5114 -7.4814 -7.4814 -7.4769 -7.4769 -1.0162 -1.0162 -0.6030 -0.6030 3.5674 3.5674 3.6087 3.6087 3.9047 3.9047 3.9846 3.9846 4.2093 4.2093 4.3319 4.3319 4.6218 4.6218 4.6870 4.6870 4.7271 4.7271 5.0778 5.0778 6.1151 6.1151 7.7675 7.7675 8.0160 8.0160 8.2985 8.2985 8.6308 8.6308 8.9023 8.9023 11.0414 11.0414 11.1678 11.1678 11.5881 11.5881 11.9790 11.9790 12.8957 12.8958 k = 0.0903 0.1564-0.0000 ( 4905 PWs) bands (ev): -25.8283 -25.8283 -25.8188 -25.8188 -8.6954 -8.6954 -8.6339 -8.6339 -7.6346 -7.6346 -7.5073 -7.5073 -7.4809 -7.4809 -7.4741 -7.4741 -1.0415 -1.0415 -0.6066 -0.6066 3.5536 3.5536 3.6069 3.6069 3.8904 3.8904 3.9776 3.9776 4.2051 4.2051 4.3418 4.3418 4.6223 4.6223 4.6906 4.6906 4.7269 4.7269 5.0796 5.0796 6.0511 6.0511 7.8830 7.8830 8.1487 8.1487 8.3039 8.3039 8.6891 8.6891 8.9912 8.9912 10.9847 10.9847 11.1490 11.1490 11.5258 11.5258 12.0528 12.0528 12.7753 12.7753 k = 0.0833 0.1443-0.0000 ( 4893 PWs) bands (ev): -25.8285 -25.8285 -25.8190 -25.8190 -8.6949 -8.6949 -8.6322 -8.6322 -7.6348 -7.6348 -7.5033 -7.5033 -7.4806 -7.4806 -7.4714 -7.4714 -1.0655 -1.0655 -0.6099 -0.6099 3.5400 3.5400 3.6057 3.6057 3.8769 3.8769 3.9717 3.9717 4.2011 4.2011 4.3517 4.3517 4.6228 4.6228 4.6923 4.6923 4.7294 4.7294 5.0814 5.0814 5.9894 5.9894 7.9987 7.9987 8.2824 8.2824 8.3096 8.3096 8.7421 8.7421 9.0798 9.0798 10.9246 10.9246 11.1362 11.1362 11.4579 11.4579 12.1256 12.1256 12.6559 12.6559 k = 0.0764 0.1323-0.0000 ( 4881 PWs) bands (ev): -25.8287 -25.8287 -25.8192 -25.8192 -8.6945 -8.6945 -8.6306 -8.6306 -7.6349 -7.6349 -7.4996 -7.4996 -7.4803 -7.4803 -7.4688 -7.4688 -1.0880 -1.0880 -0.6130 -0.6130 3.5271 3.5271 3.6049 3.6049 3.8643 3.8643 3.9668 3.9668 4.1973 4.1973 4.3615 4.3615 4.6231 4.6231 4.6919 4.6919 4.7347 4.7347 5.0832 5.0832 5.9303 5.9303 8.1140 8.1140 8.3145 8.3145 8.4181 8.4181 8.7899 8.7899 9.1676 9.1676 10.8630 10.8630 11.1269 11.1269 11.3851 11.3851 12.1965 12.1965 12.5383 12.5383 k = 0.0694 0.1203-0.0000 ( 4885 PWs) bands (ev): -25.8289 -25.8289 -25.8194 -25.8194 -8.6940 -8.6940 -8.6291 -8.6291 -7.6351 -7.6351 -7.4960 -7.4960 -7.4800 -7.4800 -7.4664 -7.4664 -1.1089 -1.1089 -0.6157 -0.6157 3.5149 3.5149 3.6041 3.6041 3.8525 3.8525 3.9629 3.9629 4.1936 4.1936 4.3711 4.3711 4.6234 4.6234 4.6903 4.6903 4.7419 4.7419 5.0852 5.0852 5.8740 5.8740 8.2283 8.2283 8.3199 8.3199 8.5537 8.5537 8.8328 8.8328 9.2541 9.2541 10.7998 10.7998 11.1201 11.1201 11.3080 11.3080 12.2646 12.2646 12.4234 12.4234 k = 0.0625 0.1083-0.0000 ( 4885 PWs) bands (ev): -25.8291 -25.8291 -25.8196 -25.8196 -8.6936 -8.6936 -8.6277 -8.6277 -7.6352 -7.6352 -7.4927 -7.4927 -7.4798 -7.4798 -7.4642 -7.4642 -1.1281 -1.1281 -0.6182 -0.6182 3.5037 3.5037 3.6034 3.6034 3.8417 3.8417 3.9599 3.9599 4.1902 4.1902 4.3802 4.3802 4.6237 4.6237 4.6882 4.6882 4.7504 4.7504 5.0872 5.0872 5.8209 5.8209 8.3246 8.3246 8.3412 8.3412 8.6886 8.6886 8.8719 8.8719 9.3385 9.3385 10.7348 10.7348 11.1151 11.1151 11.2278 11.2278 12.3117 12.3117 12.3282 12.3282 k = 0.0556 0.0962-0.0000 ( 4881 PWs) bands (ev): -25.8293 -25.8293 -25.8197 -25.8197 -8.6933 -8.6933 -8.6265 -8.6265 -7.6354 -7.6354 -7.4897 -7.4897 -7.4796 -7.4796 -7.4621 -7.4621 -1.1455 -1.1455 -0.6204 -0.6204 3.4936 3.4936 3.6027 3.6027 3.8320 3.8320 3.9576 3.9576 4.1869 4.1869 4.3888 4.3888 4.6239 4.6239 4.6858 4.6858 4.7597 4.7597 5.0894 5.0894 5.7712 5.7712 8.3298 8.3298 8.4506 8.4506 8.8177 8.8177 8.9122 8.9122 9.4200 9.4200 10.6670 10.6670 11.1113 11.1113 11.1457 11.1457 12.2058 12.2058 12.2431 12.2431 k = 0.0486 0.0842-0.0000 ( 4889 PWs) bands (ev): -25.8294 -25.8294 -25.8198 -25.8198 -8.6930 -8.6930 -8.6254 -8.6254 -7.6355 -7.6355 -7.4870 -7.4870 -7.4794 -7.4794 -7.4602 -7.4602 -1.1611 -1.1611 -0.6223 -0.6223 3.4846 3.4846 3.6019 3.6019 3.8232 3.8232 3.9559 3.9559 4.1840 4.1840 4.3966 4.3966 4.6239 4.6239 4.6835 4.6835 4.7693 4.7693 5.0916 5.0916 5.7253 5.7253 8.3344 8.3344 8.5563 8.5563 8.9049 8.9049 8.9897 8.9897 9.4976 9.4976 10.5955 10.5955 11.0633 11.0633 11.1087 11.1087 12.1064 12.1064 12.1426 12.1426 k = 0.0417 0.0722-0.0000 ( 4879 PWs) bands (ev): -25.8296 -25.8296 -25.8200 -25.8200 -8.6927 -8.6927 -8.6244 -8.6244 -7.6356 -7.6356 -7.4846 -7.4846 -7.4792 -7.4792 -7.4586 -7.4586 -1.1748 -1.1748 -0.6240 -0.6240 3.4767 3.4767 3.6012 3.6012 3.8156 3.8156 3.9548 3.9548 4.1814 4.1814 4.4037 4.4037 4.6240 4.6240 4.6814 4.6814 4.7790 4.7790 5.0940 5.0940 5.6837 5.6837 8.3386 8.3386 8.6563 8.6563 8.9389 8.9389 9.1154 9.1154 9.5699 9.5699 10.5192 10.5192 10.9826 10.9826 11.1067 11.1067 12.0158 12.0158 12.0512 12.0512 k = 0.0347 0.0601-0.0000 ( 4879 PWs) bands (ev): -25.8297 -25.8297 -25.8201 -25.8201 -8.6925 -8.6925 -8.6236 -8.6236 -7.6357 -7.6357 -7.4826 -7.4826 -7.4790 -7.4790 -7.4572 -7.4572 -1.1864 -1.1864 -0.6254 -0.6254 3.4700 3.4700 3.6006 3.6006 3.8090 3.8090 3.9541 3.9541 4.1791 4.1791 4.4098 4.4098 4.6239 4.6239 4.6795 4.6795 4.7881 4.7881 5.0963 5.0963 5.6470 5.6470 8.3422 8.3422 8.7487 8.7487 8.9606 8.9606 9.2483 9.2483 9.6354 9.6354 10.4374 10.4374 10.9060 10.9060 11.1054 11.1054 11.9362 11.9362 11.9699 11.9699 k = 0.0278 0.0481-0.0000 ( 4877 PWs) bands (ev): -25.8298 -25.8298 -25.8201 -25.8201 -8.6923 -8.6923 -8.6229 -8.6229 -7.6358 -7.6358 -7.4810 -7.4810 -7.4788 -7.4788 -7.4560 -7.4560 -1.1960 -1.1960 -0.6266 -0.6266 3.4645 3.4645 3.6000 3.6000 3.8036 3.8036 3.9537 3.9537 4.1772 4.1772 4.4149 4.4149 4.6239 4.6239 4.6780 4.6780 4.7964 4.7964 5.0986 5.0986 5.6157 5.6157 8.3453 8.3453 8.8307 8.8307 8.9770 8.9770 9.3807 9.3807 9.6925 9.6925 10.3494 10.3494 10.8363 10.8363 11.1044 11.1044 11.8689 11.8689 11.9003 11.9003 k = 0.0208 0.0361-0.0000 ( 4879 PWs) bands (ev): -25.8298 -25.8298 -25.8202 -25.8202 -8.6922 -8.6922 -8.6223 -8.6223 -7.6358 -7.6358 -7.4799 -7.4799 -7.4785 -7.4785 -7.4551 -7.4551 -1.2035 -1.2035 -0.6274 -0.6274 3.4602 3.4602 3.5995 3.5995 3.7994 3.7994 3.9535 3.9535 4.1756 4.1756 4.4189 4.4189 4.6238 4.6238 4.6767 4.6767 4.8035 4.8035 5.1007 5.1007 5.5904 5.5904 8.3478 8.3478 8.8989 8.8989 8.9900 8.9900 9.5101 9.5101 9.7396 9.7396 10.2556 10.2556 10.7767 10.7767 11.1037 11.1037 11.8152 11.8152 11.8439 11.8439 k = 0.0139 0.0241-0.0000 ( 4877 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6921 -8.6921 -8.6219 -8.6219 -7.6359 -7.6359 -7.4794 -7.4794 -7.4780 -7.4780 -7.4544 -7.4544 -1.2089 -1.2089 -0.6281 -0.6281 3.4571 3.4571 3.5991 3.5991 3.7964 3.7964 3.9534 3.9534 4.1745 4.1745 4.4218 4.4218 4.6237 4.6237 4.6758 4.6758 4.8088 4.8088 5.1024 5.1024 5.5717 5.5717 8.3496 8.3496 8.9489 8.9489 9.0012 9.0012 9.6335 9.6335 9.7749 9.7749 10.1579 10.1579 10.7308 10.7308 11.1032 11.1032 11.7761 11.7761 11.8024 11.8024 k = 0.0069 0.0120-0.0000 ( 4895 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6920 -8.6920 -8.6217 -8.6217 -7.6359 -7.6359 -7.4792 -7.4792 -7.4775 -7.4775 -7.4540 -7.4540 -1.2122 -1.2122 -0.6285 -0.6285 3.4552 3.4552 3.5989 3.5989 3.7945 3.7945 3.9534 3.9534 4.1738 4.1738 4.4235 4.4235 4.6236 4.6236 4.6752 4.6752 4.8122 4.8122 5.1035 5.1035 5.5602 5.5602 8.3507 8.3507 8.9761 8.9761 9.0122 9.0122 9.7412 9.7412 9.7986 9.7986 10.0639 10.0639 10.7017 10.7017 11.1029 11.1029 11.7522 11.7522 11.7770 11.7770 k = 0.0000 0.0000 0.0000 ( 4899 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6920 -8.6920 -8.6216 -8.6216 -7.6359 -7.6359 -7.4792 -7.4792 -7.4774 -7.4774 -7.4539 -7.4539 -1.2133 -1.2133 -0.6286 -0.6286 3.4545 3.4545 3.5989 3.5989 3.7939 3.7939 3.9534 3.9534 4.1735 4.1735 4.4241 4.4241 4.6235 4.6235 4.6750 4.6750 4.8133 4.8133 5.1039 5.1039 5.5564 5.5564 8.3511 8.3511 8.9834 8.9834 9.0180 9.0180 9.7880 9.7880 9.8165 9.8165 10.0119 10.0119 10.6917 10.6917 11.1028 11.1028 11.7441 11.7441 11.7685 11.7685 k = 0.0000 0.0000 0.0000 ( 4899 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6920 -8.6920 -8.6216 -8.6216 -7.6359 -7.6359 -7.4792 -7.4792 -7.4774 -7.4774 -7.4539 -7.4539 -1.2133 -1.2133 -0.6286 -0.6286 3.4545 3.4545 3.5989 3.5989 3.7939 3.7939 3.9534 3.9534 4.1735 4.1735 4.4241 4.4241 4.6235 4.6235 4.6750 4.6750 4.8133 4.8133 5.1039 5.1039 5.5564 5.5564 8.3511 8.3511 8.9834 8.9834 9.0180 9.0180 9.7880 9.7880 9.8165 9.8165 10.0119 10.0119 10.6917 10.6917 11.1028 11.1028 11.7441 11.7441 11.7685 11.7685 k = 0.0000 0.0000 0.0134 ( 4899 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6919 -8.6919 -8.6217 -8.6217 -7.6357 -7.6357 -7.4794 -7.4794 -7.4773 -7.4773 -7.4540 -7.4540 -1.2124 -1.2124 -0.6295 -0.6295 3.4547 3.4547 3.5986 3.5986 3.7941 3.7941 3.9531 3.9531 4.1738 4.1738 4.4235 4.4235 4.6238 4.6238 4.6752 4.6752 4.8130 4.8130 5.0994 5.0994 5.5638 5.5638 8.3441 8.3441 8.9844 8.9844 9.0190 9.0190 9.7862 9.7862 9.8147 9.8147 10.0171 10.0171 10.6915 10.6915 11.1059 11.1059 11.7458 11.7458 11.7703 11.7703 k = 0.0000 0.0000 0.0268 ( 4881 PWs) bands (ev): -25.8299 -25.8299 -25.8203 -25.8203 -8.6915 -8.6915 -8.6220 -8.6220 -7.6351 -7.6351 -7.4803 -7.4803 -7.4772 -7.4772 -7.4541 -7.4541 -1.2098 -1.2098 -0.6324 -0.6324 3.4554 3.4554 3.5980 3.5980 3.7949 3.7949 3.9524 3.9524 4.1745 4.1745 4.4215 4.4215 4.6247 4.6247 4.6758 4.6758 4.8121 4.8121 5.0870 5.0870 5.5854 5.5854 8.3235 8.3235 8.9873 8.9873 9.0219 9.0219 9.7810 9.7810 9.8096 9.8096 10.0323 10.0323 10.6911 10.6911 11.1151 11.1151 11.7509 11.7509 11.7757 11.7757 k = 0.0000 0.0000 0.0402 ( 4869 PWs) bands (ev): -25.8298 -25.8298 -25.8204 -25.8204 -8.6909 -8.6909 -8.6225 -8.6225 -7.6340 -7.6340 -7.4817 -7.4817 -7.4770 -7.4770 -7.4542 -7.4542 -1.2056 -1.2056 -0.6371 -0.6371 3.4566 3.4566 3.5969 3.5969 3.7961 3.7961 3.9511 3.9511 4.1756 4.1756 4.4183 4.4183 4.6261 4.6261 4.6767 4.6767 4.8105 4.8105 5.0684 5.0684 5.6188 5.6188 8.2901 8.2901 8.9922 8.9922 9.0268 9.0268 9.7723 9.7723 9.8010 9.8010 10.0564 10.0564 10.6904 10.6904 11.1307 11.1307 11.7593 11.7593 11.7846 11.7846 k = 0.0000 0.0000 0.0536 ( 4881 PWs) bands (ev): -25.8297 -25.8297 -25.8205 -25.8205 -8.6900 -8.6900 -8.6231 -8.6231 -7.6326 -7.6326 -7.4836 -7.4836 -7.4768 -7.4768 -7.4545 -7.4545 -1.1996 -1.1996 -0.6437 -0.6437 3.4581 3.4581 3.5953 3.5953 3.7978 3.7978 3.9494 3.9494 4.1771 4.1771 4.4138 4.4138 4.6279 4.6279 4.6779 4.6779 4.8083 4.8083 5.0460 5.0460 5.6620 5.6620 8.2453 8.2453 8.9989 8.9989 9.0336 9.0336 9.7604 9.7604 9.7893 9.7893 10.0879 10.0879 10.6894 10.6894 11.1528 11.1528 11.7711 11.7711 11.7971 11.7971 k = 0.0000 0.0000 0.0670 ( 4893 PWs) bands (ev): -25.8296 -25.8296 -25.8207 -25.8207 -8.6889 -8.6889 -8.6239 -8.6239 -7.6308 -7.6308 -7.4860 -7.4860 -7.4765 -7.4765 -7.4548 -7.4548 -1.1920 -1.1920 -0.6521 -0.6521 3.4600 3.4600 3.5933 3.5933 3.7999 3.7999 3.9472 3.9472 4.1790 4.1790 4.4081 4.4081 4.6303 4.6303 4.6795 4.6795 4.8055 4.8055 5.0217 5.0217 5.7127 5.7127 8.1907 8.1907 9.0076 9.0076 9.0423 9.0423 9.7453 9.7453 9.7745 9.7745 10.1248 10.1248 10.6881 10.6881 11.1817 11.1817 11.7863 11.7863 11.8132 11.8132 k = 0.0000 0.0000 0.0804 ( 4887 PWs) bands (ev): -25.8294 -25.8294 -25.8208 -25.8208 -8.6876 -8.6876 -8.6249 -8.6249 -7.6285 -7.6285 -7.4889 -7.4889 -7.4761 -7.4761 -7.4552 -7.4552 -1.1828 -1.1828 -0.6622 -0.6622 3.4624 3.4624 3.5909 3.5909 3.8025 3.8025 3.9446 3.9446 4.1815 4.1815 4.4014 4.4014 4.6332 4.6332 4.6815 4.6815 4.8021 4.8021 4.9968 4.9968 5.7696 5.7696 8.1277 8.1277 9.0181 9.0181 9.0529 9.0529 9.7275 9.7275 9.7569 9.7569 10.1654 10.1654 10.6865 10.6865 11.2177 11.2177 11.8048 11.8048 11.8328 11.8328 k = 0.0000 0.0000 0.0938 ( 4887 PWs) bands (ev): -25.8292 -25.8292 -25.8210 -25.8210 -8.6861 -8.6861 -8.6261 -8.6261 -7.6259 -7.6259 -7.4923 -7.4923 -7.4756 -7.4756 -7.4556 -7.4556 -1.1720 -1.1720 -0.6740 -0.6740 3.4652 3.4652 3.5881 3.5881 3.8056 3.8056 3.9414 3.9414 4.1843 4.1843 4.3937 4.3937 4.6365 4.6365 4.6839 4.6839 4.7981 4.7981 4.9722 4.9722 5.8317 5.8317 8.0577 8.0577 9.0305 9.0305 9.0653 9.0653 9.7071 9.7071 9.7368 9.7368 10.2078 10.2078 10.6844 10.6844 11.2610 11.2610 11.8267 11.8267 11.8560 11.8560 k = 0.0000 0.0000 0.1071 ( 4887 PWs) bands (ev): -25.8290 -25.8290 -25.8212 -25.8212 -8.6843 -8.6843 -8.6274 -8.6274 -7.6229 -7.6229 -7.4962 -7.4962 -7.4751 -7.4751 -7.4562 -7.4562 -1.1598 -1.1598 -0.6873 -0.6873 3.4683 3.4683 3.5850 3.5850 3.8090 3.8090 3.9379 3.9379 4.1876 4.1876 4.3852 4.3852 4.6404 4.6404 4.6866 4.6866 4.7937 4.7937 4.9483 4.9483 5.8980 5.8980 7.9821 7.9821 9.0446 9.0446 9.0794 9.0794 9.6843 9.6843 9.7144 9.7144 10.2506 10.2506 10.6819 10.6819 11.3118 11.3118 11.8520 11.8520 11.8828 11.8828 k = 0.0000 0.0000 0.1205 ( 4900 PWs) bands (ev): -25.8288 -25.8288 -25.8214 -25.8214 -8.6824 -8.6824 -8.6289 -8.6289 -7.6196 -7.6196 -7.5005 -7.5005 -7.4746 -7.4746 -7.4567 -7.4567 -1.1461 -1.1461 -0.7021 -0.7021 3.4718 3.4718 3.5814 3.5814 3.8128 3.8128 3.9340 3.9340 4.1914 4.1914 4.3759 4.3759 4.6447 4.6447 4.6898 4.6898 4.7887 4.7887 4.9255 4.9255 5.9681 5.9681 7.9019 7.9019 9.0605 9.0605 9.0953 9.0953 9.6596 9.6596 9.6901 9.6901 10.2924 10.2924 10.6789 10.6789 11.3701 11.3701 11.8806 11.8806 11.9130 11.9130 k = 0.0000 0.0000 0.1339 ( 4894 PWs) bands (ev): -25.8286 -25.8286 -25.8217 -25.8217 -8.6803 -8.6803 -8.6306 -8.6306 -7.6158 -7.6158 -7.5051 -7.5051 -7.4739 -7.4739 -7.4574 -7.4574 -1.1311 -1.1311 -0.7184 -0.7184 3.4756 3.4756 3.5776 3.5776 3.8170 3.8170 3.9297 3.9297 4.1956 4.1956 4.3661 4.3661 4.6495 4.6495 4.6934 4.6934 4.7834 4.7834 4.9042 4.9042 6.0415 6.0415 7.8179 7.8179 9.0780 9.0780 9.1129 9.1129 9.6331 9.6331 9.6639 9.6639 10.3324 10.3324 10.6753 10.6753 11.4359 11.4359 11.9126 11.9126 11.9468 11.9468 k = 0.0000 0.0000 0.1473 ( 4906 PWs) bands (ev): -25.8283 -25.8283 -25.8220 -25.8220 -8.6781 -8.6781 -8.6324 -8.6324 -7.6118 -7.6118 -7.5101 -7.5101 -7.4733 -7.4733 -7.4580 -7.4580 -1.1148 -1.1148 -0.7358 -0.7358 3.4798 3.4798 3.5734 3.5734 3.8216 3.8216 3.9250 3.9250 4.2002 4.2002 4.3558 4.3558 4.6546 4.6546 4.6975 4.6975 4.7775 4.7775 4.8841 4.8841 6.1179 6.1179 7.7311 7.7311 9.0972 9.0972 9.1320 9.1320 9.6051 9.6051 9.6364 9.6364 10.3701 10.3701 10.6711 10.6711 11.5088 11.5088 11.9480 11.9480 11.9842 11.9842 k = 0.0000 0.0000 0.1607 ( 4912 PWs) bands (ev): -25.8280 -25.8280 -25.8223 -25.8223 -8.6757 -8.6757 -8.6344 -8.6344 -7.6074 -7.6074 -7.5154 -7.5154 -7.4726 -7.4726 -7.4588 -7.4588 -1.0974 -1.0974 -0.7544 -0.7544 3.4842 3.4842 3.5689 3.5689 3.8265 3.8265 3.9201 3.9201 4.2054 4.2054 4.3452 4.3452 4.6602 4.6602 4.7020 4.7020 4.7713 4.7713 4.8654 4.8654 6.1970 6.1970 7.6420 7.6420 9.1179 9.1179 9.1527 9.1527 9.5760 9.5760 9.6077 9.6077 10.4050 10.4050 10.6662 10.6662 11.5883 11.5883 11.9867 11.9867 12.0250 12.0250 k = 0.0000 0.0000 0.1741 ( 4900 PWs) bands (ev): -25.8277 -25.8277 -25.8226 -25.8226 -8.6732 -8.6732 -8.6365 -8.6365 -7.6027 -7.6027 -7.5209 -7.5209 -7.4718 -7.4718 -7.4595 -7.4595 -1.0788 -1.0788 -0.7741 -0.7741 3.4889 3.4889 3.5642 3.5642 3.8316 3.8316 3.9148 3.9148 4.2110 4.2110 4.3345 4.3345 4.6661 4.6661 4.7071 4.7071 4.7649 4.7649 4.8481 4.8481 6.2784 6.2784 7.5512 7.5512 9.1400 9.1400 9.1749 9.1749 9.5459 9.5459 9.5780 9.5780 10.4370 10.4370 10.6605 10.6605 11.6740 11.6740 12.0287 12.0287 12.0693 12.0693 k = 0.0000 0.0000 0.1875 ( 4894 PWs) bands (ev): -25.8274 -25.8274 -25.8229 -25.8229 -8.6707 -8.6707 -8.6387 -8.6387 -7.5977 -7.5977 -7.5267 -7.5267 -7.4710 -7.4710 -7.4603 -7.4603 -1.0593 -1.0593 -0.7946 -0.7946 3.4938 3.4938 3.5593 3.5593 3.8370 3.8370 3.9094 3.9094 4.2170 4.2170 4.3238 4.3238 4.6723 4.6723 4.7126 4.7126 4.7582 4.7582 4.8321 4.8321 6.3621 6.3621 7.4590 7.4590 9.1636 9.1636 9.1984 9.1984 9.5152 9.5152 9.5477 9.5477 10.4662 10.4662 10.6539 10.6539 11.7651 11.7651 12.0741 12.0741 12.1171 12.1171 k = 0.0000 0.0000 0.2009 ( 4876 PWs) bands (ev): -25.8270 -25.8270 -25.8232 -25.8232 -8.6680 -8.6680 -8.6411 -8.6411 -7.5925 -7.5925 -7.5326 -7.5326 -7.4702 -7.4702 -7.4612 -7.4612 -1.0390 -1.0390 -0.8158 -0.8158 3.4990 3.4990 3.5541 3.5541 3.8427 3.8427 3.9037 3.9037 4.2236 4.2236 4.3131 4.3131 4.6789 4.6789 4.7187 4.7187 4.7512 4.7512 4.8172 4.8172 6.4477 6.4477 7.3660 7.3660 9.1884 9.1884 9.2232 9.2232 9.4841 9.4841 9.5169 9.5169 10.4927 10.4927 10.6464 10.6464 11.8611 11.8611 12.1228 12.1228 12.1683 12.1683 k = 0.0000 0.0000 0.2143 ( 4876 PWs) bands (ev): -25.8267 -25.8267 -25.8236 -25.8236 -8.6653 -8.6653 -8.6435 -8.6435 -7.5870 -7.5870 -7.5387 -7.5387 -7.4693 -7.4693 -7.4620 -7.4620 -1.0178 -1.0178 -0.8377 -0.8377 3.5043 3.5043 3.5488 3.5488 3.8486 3.8486 3.8978 3.8978 4.2306 4.2306 4.3025 4.3025 4.6857 4.6857 4.7253 4.7253 4.7440 4.7440 4.8034 4.8034 6.5351 6.5351 7.2723 7.2723 9.2145 9.2145 9.2492 9.2492 9.4527 9.4527 9.4858 9.4858 10.5166 10.5166 10.6378 10.6378 11.9612 11.9612 12.1749 12.1749 12.2230 12.2230 k = 0.0000 0.0000 0.2277 ( 4870 PWs) bands (ev): -25.8263 -25.8263 -25.8239 -25.8239 -8.6625 -8.6625 -8.6460 -8.6460 -7.5813 -7.5813 -7.5448 -7.5448 -7.4684 -7.4684 -7.4629 -7.4629 -0.9961 -0.9961 -0.8601 -0.8601 3.5097 3.5097 3.5434 3.5434 3.8546 3.8546 3.8918 3.8918 4.2381 4.2381 4.2922 4.2922 4.6927 4.6927 4.7326 4.7326 4.7367 4.7367 4.7908 4.7908 6.6240 6.6240 7.1785 7.1785 9.2416 9.2416 9.2762 9.2762 9.4213 9.4213 9.4547 9.4547 10.5382 10.5382 10.6281 10.6281 12.0648 12.0648 12.2302 12.2302 12.2810 12.2810 k = 0.0000 0.0000 0.2411 ( 4882 PWs) bands (ev): -25.8260 -25.8260 -25.8242 -25.8242 -8.6597 -8.6597 -8.6487 -8.6487 -7.5755 -7.5755 -7.5510 -7.5510 -7.4676 -7.4676 -7.4638 -7.4638 -0.9739 -0.9739 -0.8827 -0.8827 3.5152 3.5152 3.5378 3.5378 3.8607 3.8607 3.8856 3.8856 4.2460 4.2460 4.2822 4.2822 4.6997 4.6997 4.7293 4.7293 4.7404 4.7404 4.7790 4.7790 6.7142 6.7142 7.0846 7.0846 9.2698 9.2698 9.3043 9.3043 9.3900 9.3900 9.4237 9.4237 10.5576 10.5576 10.6171 10.6171 12.1713 12.1713 12.2887 12.2887 12.3424 12.3424 k = 0.0000 0.0000 0.2545 ( 4882 PWs) bands (ev): -25.8257 -25.8257 -25.8245 -25.8245 -8.6569 -8.6569 -8.6513 -8.6513 -7.5695 -7.5695 -7.5572 -7.5572 -7.4667 -7.4667 -7.4646 -7.4646 -0.9513 -0.9513 -0.9056 -0.9056 3.5209 3.5209 3.5322 3.5322 3.8669 3.8669 3.8794 3.8794 4.2544 4.2544 4.2725 4.2725 4.7070 4.7070 4.7219 4.7219 4.7489 4.7489 4.7681 4.7681 6.8056 6.8056 6.9911 6.9911 9.2988 9.2988 9.3332 9.3332 9.3591 9.3591 9.3930 9.3930 10.5751 10.5751 10.6046 10.6046 12.2799 12.2799 12.3504 12.3504 12.4071 12.4071 k = 0.0000 0.0000 0.2679 ( 4870 PWs) bands (ev): -25.8256 -25.8256 -25.8247 -25.8247 -8.6546 -8.6546 -8.6537 -8.6537 -7.5638 -7.5638 -7.5630 -7.5630 -7.4661 -7.4661 -7.4652 -7.4652 -0.9285 -0.9285 -0.9285 -0.9285 3.5265 3.5265 3.5265 3.5265 3.8731 3.8731 3.8731 3.8731 4.2633 4.2633 4.2633 4.2633 4.7145 4.7145 4.7145 4.7145 4.7581 4.7581 4.7582 4.7582 6.8980 6.8980 6.8980 6.8980 9.3286 9.3286 9.3287 9.3287 9.3628 9.3628 9.3629 9.3629 10.5907 10.5907 10.5907 10.5907 12.3888 12.3888 12.3892 12.3892 12.4171 12.4174 k = 0.0000 0.0000 0.2679 ( 4870 PWs) bands (ev): -25.8256 -25.8256 -25.8247 -25.8247 -8.6546 -8.6546 -8.6537 -8.6537 -7.5638 -7.5638 -7.5630 -7.5630 -7.4661 -7.4661 -7.4652 -7.4652 -0.9285 -0.9285 -0.9285 -0.9285 3.5265 3.5265 3.5265 3.5265 3.8731 3.8731 3.8731 3.8731 4.2633 4.2633 4.2633 4.2633 4.7145 4.7145 4.7145 4.7145 4.7581 4.7581 4.7582 4.7582 6.8980 6.8980 6.8980 6.8980 9.3286 9.3286 9.3287 9.3287 9.3628 9.3628 9.3629 9.3629 10.5907 10.5907 10.5907 10.5907 12.3888 12.3888 12.3892 12.3892 12.4171 12.4172 k = 0.0119 0.0069 0.2679 ( 4876 PWs) bands (ev): -25.8256 -25.8256 -25.8246 -25.8246 -8.6546 -8.6546 -8.6537 -8.6537 -7.5638 -7.5638 -7.5630 -7.5630 -7.4663 -7.4663 -7.4653 -7.4653 -0.9279 -0.9279 -0.9278 -0.9278 3.5268 3.5268 3.5268 3.5268 3.8734 3.8734 3.8734 3.8734 4.2631 4.2631 4.2632 4.2632 4.7129 4.7129 4.7129 4.7129 4.7597 4.7597 4.7598 4.7598 6.8992 6.8992 6.8993 6.8993 9.3190 9.3190 9.3191 9.3191 9.3560 9.3560 9.3561 9.3561 10.6018 10.6018 10.6018 10.6018 12.3710 12.3710 12.3712 12.3712 12.4272 12.4273 k = 0.0238 0.0137 0.2679 ( 4880 PWs) bands (ev): -25.8255 -25.8255 -25.8246 -25.8246 -8.6548 -8.6548 -8.6539 -8.6539 -7.5639 -7.5639 -7.5630 -7.5630 -7.4667 -7.4667 -7.4658 -7.4658 -0.9260 -0.9260 -0.9259 -0.9259 3.5278 3.5278 3.5278 3.5278 3.8742 3.8742 3.8742 3.8742 4.2627 4.2627 4.2627 4.2627 4.7089 4.7089 4.7089 4.7089 4.7640 4.7640 4.7641 4.7641 6.9030 6.9030 6.9030 6.9030 9.2861 9.2861 9.2862 9.2862 9.3412 9.3412 9.3413 9.3413 10.6337 10.6337 10.6337 10.6337 12.3383 12.3383 12.3385 12.3385 12.4395 12.4395 k = 0.0357 0.0206 0.2679 ( 4898 PWs) bands (ev): -25.8255 -25.8255 -25.8246 -25.8246 -8.6550 -8.6550 -8.6541 -8.6541 -7.5640 -7.5640 -7.5631 -7.5631 -7.4674 -7.4674 -7.4665 -7.4665 -0.9227 -0.9227 -0.9227 -0.9227 3.5294 3.5294 3.5294 3.5294 3.8756 3.8756 3.8756 3.8756 4.2619 4.2619 4.2620 4.2620 4.7033 4.7033 4.7033 4.7033 4.7700 4.7700 4.7701 4.7701 6.9091 6.9091 6.9092 6.9092 9.2294 9.2294 9.2296 9.2296 9.3227 9.3227 9.3228 9.3228 10.6826 10.6826 10.6826 10.6826 12.3003 12.3003 12.3004 12.3004 12.4510 12.4511 k = 0.0476 0.0275 0.2679 ( 4906 PWs) bands (ev): -25.8254 -25.8254 -25.8245 -25.8245 -8.6554 -8.6554 -8.6545 -8.6545 -7.5641 -7.5641 -7.5632 -7.5632 -7.4684 -7.4684 -7.4675 -7.4675 -0.9183 -0.9183 -0.9182 -0.9182 3.5316 3.5316 3.5316 3.5316 3.8775 3.8775 3.8776 3.8776 4.2610 4.2610 4.2610 4.2610 4.6971 4.6971 4.6971 4.6971 4.7770 4.7770 4.7771 4.7771 6.9177 6.9177 6.9177 6.9177 9.1546 9.1546 9.1548 9.1548 9.2997 9.2997 9.2998 9.2998 10.7438 10.7438 10.7438 10.7438 12.2590 12.2590 12.2592 12.2592 12.4624 12.4625 k = 0.0595 0.0344 0.2679 ( 4906 PWs) bands (ev): -25.8254 -25.8254 -25.8244 -25.8244 -8.6558 -8.6558 -8.6549 -8.6549 -7.5642 -7.5642 -7.5634 -7.5634 -7.4696 -7.4696 -7.4687 -7.4687 -0.9126 -0.9126 -0.9125 -0.9125 3.5344 3.5344 3.5344 3.5344 3.8801 3.8801 3.8802 3.8802 4.2597 4.2597 4.2598 4.2598 4.6906 4.6906 4.6906 4.6906 4.7845 4.7845 4.7845 4.7845 6.9284 6.9284 6.9285 6.9285 9.0668 9.0668 9.0669 9.0669 9.2715 9.2715 9.2716 9.2716 10.8128 10.8128 10.8128 10.8128 12.2154 12.2154 12.2156 12.2156 12.4709 12.4710 k = 0.0714 0.0412 0.2679 ( 4910 PWs) bands (ev): -25.8252 -25.8252 -25.8243 -25.8243 -8.6563 -8.6563 -8.6554 -8.6554 -7.5644 -7.5644 -7.5635 -7.5635 -7.4711 -7.4711 -7.4702 -7.4702 -0.9057 -0.9057 -0.9056 -0.9056 3.5378 3.5378 3.5378 3.5378 3.8834 3.8834 3.8834 3.8834 4.2583 4.2583 4.2583 4.2583 4.6839 4.6839 4.6840 4.6840 4.7922 4.7922 4.7923 4.7923 6.9412 6.9412 6.9412 6.9412 8.9696 8.9696 8.9698 8.9698 9.2382 9.2382 9.2383 9.2383 10.8857 10.8857 10.8857 10.8857 12.1700 12.1700 12.1702 12.1702 12.4709 12.4710 k = 0.0833 0.0481 0.2679 ( 4914 PWs) bands (ev): -25.8251 -25.8251 -25.8242 -25.8242 -8.6570 -8.6570 -8.6561 -8.6561 -7.5646 -7.5646 -7.5638 -7.5638 -7.4728 -7.4728 -7.4719 -7.4719 -0.8976 -0.8976 -0.8975 -0.8975 3.5418 3.5418 3.5418 3.5418 3.8873 3.8873 3.8873 3.8873 4.2566 4.2566 4.2567 4.2567 4.6775 4.6775 4.6775 4.6775 4.8001 4.8001 4.8001 4.8001 6.9558 6.9558 6.9558 6.9558 8.8661 8.8661 8.8662 8.8662 9.2001 9.2001 9.2002 9.2002 10.9593 10.9593 10.9593 10.9593 12.1228 12.1228 12.1230 12.1230 12.4632 12.4633 k = 0.0952 0.0550 0.2679 ( 4914 PWs) bands (ev): -25.8250 -25.8250 -25.8240 -25.8240 -8.6577 -8.6577 -8.6568 -8.6568 -7.5649 -7.5649 -7.5640 -7.5640 -7.4748 -7.4748 -7.4739 -7.4739 -0.8883 -0.8883 -0.8883 -0.8883 3.5464 3.5464 3.5464 3.5464 3.8919 3.8919 3.8919 3.8919 4.2547 4.2547 4.2548 4.2548 4.6712 4.6712 4.6712 4.6712 4.8080 4.8080 4.8081 4.8081 6.9718 6.9718 6.9719 6.9719 8.7583 8.7583 8.7584 8.7584 9.1574 9.1574 9.1575 9.1575 11.0305 11.0305 11.0305 11.0305 12.0743 12.0743 12.0744 12.0744 12.4535 12.4538 k = 0.1071 0.0619 0.2679 ( 4918 PWs) bands (ev): -25.8248 -25.8248 -25.8239 -25.8239 -8.6585 -8.6585 -8.6576 -8.6576 -7.5652 -7.5652 -7.5643 -7.5643 -7.4769 -7.4769 -7.4760 -7.4760 -0.8780 -0.8780 -0.8779 -0.8779 3.5514 3.5514 3.5514 3.5514 3.8973 3.8973 3.8973 3.8973 4.2527 4.2527 4.2527 4.2527 4.6651 4.6651 4.6651 4.6651 4.8159 4.8159 4.8159 4.8159 6.9890 6.9890 6.9891 6.9891 8.6480 8.6480 8.6481 8.6481 9.1107 9.1107 9.1108 9.1108 11.0966 11.0966 11.0966 11.0966 12.0249 12.0249 12.0251 12.0251 12.4462 12.4463 k = 0.1190 0.0687 0.2679 ( 4918 PWs) bands (ev): -25.8247 -25.8247 -25.8237 -25.8237 -8.6594 -8.6594 -8.6585 -8.6585 -7.5655 -7.5655 -7.5647 -7.5647 -7.4793 -7.4793 -7.4784 -7.4784 -0.8666 -0.8666 -0.8666 -0.8666 3.5570 3.5570 3.5570 3.5570 3.9035 3.9035 3.9035 3.9035 4.2505 4.2505 4.2506 4.2506 4.6594 4.6594 4.6594 4.6594 4.8237 4.8237 4.8238 4.8238 7.0068 7.0068 7.0069 7.0069 8.5367 8.5367 8.5367 8.5367 9.0603 9.0603 9.0604 9.0604 11.1548 11.1548 11.1549 11.1549 11.9759 11.9759 11.9761 11.9761 12.4443 12.4444 k = 0.1310 0.0756 0.2679 ( 4930 PWs) bands (ev): -25.8245 -25.8245 -25.8235 -25.8235 -8.6603 -8.6603 -8.6594 -8.6594 -7.5660 -7.5660 -7.5651 -7.5651 -7.4818 -7.4818 -7.4808 -7.4808 -0.8542 -0.8542 -0.8542 -0.8542 3.5631 3.5631 3.5631 3.5631 3.9105 3.9105 3.9105 3.9105 4.2483 4.2483 4.2483 4.2483 4.6540 4.6540 4.6540 4.6540 4.8315 4.8315 4.8315 4.8315 7.0245 7.0245 7.0246 7.0246 8.4257 8.4257 8.4258 8.4258 9.0068 9.0068 9.0069 9.0069 11.2021 11.2021 11.2022 11.2022 11.9290 11.9290 11.9291 11.9291 12.4506 12.4508 k = 0.1429 0.0825 0.2679 ( 4930 PWs) bands (ev): -25.8243 -25.8243 -25.8233 -25.8233 -8.6614 -8.6614 -8.6605 -8.6605 -7.5664 -7.5664 -7.5656 -7.5656 -7.4844 -7.4844 -7.4835 -7.4835 -0.8409 -0.8409 -0.8409 -0.8409 3.5697 3.5697 3.5697 3.5697 3.9184 3.9184 3.9184 3.9184 4.2460 4.2460 4.2460 4.2460 4.6489 4.6489 4.6490 4.6490 4.8391 4.8391 4.8391 4.8391 7.0414 7.0414 7.0414 7.0414 8.3165 8.3165 8.3166 8.3166 8.9505 8.9505 8.9505 8.9505 11.2358 11.2358 11.2359 11.2359 11.8861 11.8861 11.8862 11.8862 12.4666 12.4668 k = 0.1548 0.0894 0.2679 ( 4922 PWs) bands (ev): -25.8241 -25.8241 -25.8231 -25.8231 -8.6625 -8.6625 -8.6616 -8.6616 -7.5670 -7.5670 -7.5661 -7.5661 -7.4871 -7.4871 -7.4862 -7.4862 -0.8267 -0.8267 -0.8267 -0.8267 3.5768 3.5768 3.5768 3.5768 3.9271 3.9271 3.9271 3.9271 4.2437 4.2437 4.2437 4.2437 4.6443 4.6443 4.6443 4.6443 4.8465 4.8465 4.8466 4.8466 7.0561 7.0561 7.0561 7.0561 8.2108 8.2108 8.2109 8.2109 8.8918 8.8918 8.8919 8.8919 11.2532 11.2532 11.2534 11.2534 11.8496 11.8496 11.8497 11.8497 12.4936 12.4937 k = 0.1667 0.0962 0.2679 ( 4922 PWs) bands (ev): -25.8238 -25.8238 -25.8229 -25.8229 -8.6637 -8.6637 -8.6628 -8.6628 -7.5676 -7.5676 -7.5668 -7.5668 -7.4899 -7.4899 -7.4890 -7.4890 -0.8117 -0.8117 -0.8117 -0.8117 3.5844 3.5844 3.5844 3.5844 3.9366 3.9366 3.9366 3.9366 4.2414 4.2414 4.2415 4.2415 4.6400 4.6400 4.6401 4.6401 4.8538 4.8538 4.8538 4.8538 7.0670 7.0670 7.0671 7.0671 8.1103 8.1103 8.1104 8.1104 8.8312 8.8312 8.8313 8.8313 11.2534 11.2534 11.2535 11.2535 11.8210 11.8210 11.8210 11.8210 12.5319 12.5321 k = 0.1786 0.1031 0.2679 ( 4918 PWs) bands (ev): -25.8236 -25.8236 -25.8227 -25.8227 -8.6649 -8.6649 -8.6640 -8.6640 -7.5683 -7.5683 -7.5675 -7.5675 -7.4927 -7.4927 -7.4918 -7.4918 -0.7960 -0.7960 -0.7960 -0.7960 3.5925 3.5925 3.5925 3.5925 3.9470 3.9470 3.9470 3.9470 4.2393 4.2393 4.2393 4.2393 4.6362 4.6362 4.6362 4.6362 4.8608 4.8608 4.8608 4.8608 7.0721 7.0721 7.0722 7.0722 8.0176 8.0176 8.0177 8.0177 8.7691 8.7691 8.7691 8.7691 11.2369 11.2369 11.2371 11.2371 11.8003 11.8003 11.8003 11.8003 12.5811 12.5813 k = 0.1905 0.1100 0.2679 ( 4912 PWs) bands (ev): -25.8234 -25.8234 -25.8224 -25.8224 -8.6662 -8.6662 -8.6653 -8.6653 -7.5691 -7.5691 -7.5683 -7.5683 -7.4956 -7.4956 -7.4947 -7.4947 -0.7797 -0.7797 -0.7797 -0.7797 3.6012 3.6012 3.6012 3.6012 3.9581 3.9581 3.9581 3.9581 4.2373 4.2373 4.2373 4.2373 4.6327 4.6327 4.6327 4.6327 4.8676 4.8676 4.8676 4.8676 7.0685 7.0685 7.0686 7.0686 7.9356 7.9356 7.9357 7.9357 8.7058 8.7058 8.7058 8.7058 11.2064 11.2064 11.2066 11.2066 11.7863 11.7863 11.7864 11.7864 12.6404 12.6405 k = 0.2024 0.1168 0.2679 ( 4910 PWs) bands (ev): -25.8231 -25.8231 -25.8222 -25.8222 -8.6675 -8.6675 -8.6666 -8.6666 -7.5700 -7.5700 -7.5692 -7.5692 -7.4984 -7.4984 -7.4975 -7.4975 -0.7628 -0.7628 -0.7628 -0.7628 3.6104 3.6104 3.6104 3.6104 3.9699 3.9699 3.9699 3.9699 4.2355 4.2355 4.2356 4.2356 4.6296 4.6296 4.6296 4.6296 4.8741 4.8741 4.8742 4.8742 7.0531 7.0531 7.0532 7.0532 7.8674 7.8674 7.8675 7.8675 8.6416 8.6416 8.6416 8.6416 11.1653 11.1653 11.1655 11.1655 11.7771 11.7771 11.7772 11.7772 12.7082 12.7083 k = 0.2143 0.1237 0.2679 ( 4906 PWs) bands (ev): -25.8228 -25.8228 -25.8219 -25.8219 -8.6689 -8.6689 -8.6680 -8.6680 -7.5711 -7.5711 -7.5702 -7.5702 -7.5012 -7.5012 -7.5003 -7.5003 -0.7454 -0.7454 -0.7454 -0.7454 3.6204 3.6204 3.6204 3.6204 3.9824 3.9824 3.9824 3.9824 4.2341 4.2341 4.2342 4.2342 4.6269 4.6269 4.6269 4.6269 4.8803 4.8803 4.8804 4.8804 7.0233 7.0233 7.0234 7.0234 7.8160 7.8160 7.8161 7.8161 8.5770 8.5770 8.5770 8.5770 11.1170 11.1170 11.1172 11.1172 11.7710 11.7710 11.7710 11.7710 12.7835 12.7835 k = 0.2262 0.1306 0.2679 ( 4912 PWs) bands (ev): -25.8226 -25.8226 -25.8217 -25.8217 -8.6703 -8.6703 -8.6694 -8.6694 -7.5722 -7.5722 -7.5714 -7.5714 -7.5039 -7.5039 -7.5030 -7.5030 -0.7277 -0.7277 -0.7276 -0.7276 3.6310 3.6310 3.6310 3.6310 3.9953 3.9953 3.9953 3.9953 4.2331 4.2331 4.2331 4.2331 4.6245 4.6245 4.6245 4.6245 4.8862 4.8862 4.8863 4.8863 6.9778 6.9778 6.9779 6.9779 7.7825 7.7825 7.7826 7.7826 8.5122 8.5122 8.5122 8.5122 11.0643 11.0643 11.0645 11.0645 11.7664 11.7664 11.7665 11.7665 12.8647 12.8648 k = 0.2381 0.1375 0.2679 ( 4916 PWs) bands (ev): -25.8223 -25.8223 -25.8214 -25.8214 -8.6718 -8.6718 -8.6709 -8.6709 -7.5735 -7.5735 -7.5726 -7.5726 -7.5065 -7.5065 -7.5056 -7.5056 -0.7096 -0.7096 -0.7096 -0.7096 3.6424 3.6424 3.6424 3.6424 4.0085 4.0085 4.0085 4.0085 4.2326 4.2326 4.2326 4.2326 4.6224 4.6224 4.6224 4.6224 4.8917 4.8917 4.8918 4.8918 6.9176 6.9176 6.9177 6.9177 7.7662 7.7662 7.7662 7.7662 8.4475 8.4475 8.4475 8.4475 11.0092 11.0092 11.0095 11.0095 11.7627 11.7627 11.7628 11.7628 12.9504 12.9505 k = 0.2500 0.1443 0.2679 ( 4926 PWs) bands (ev): -25.8221 -25.8221 -25.8211 -25.8211 -8.6733 -8.6733 -8.6724 -8.6724 -7.5748 -7.5748 -7.5740 -7.5740 -7.5090 -7.5090 -7.5081 -7.5081 -0.6914 -0.6914 -0.6914 -0.6914 3.6546 3.6546 3.6546 3.6546 4.0219 4.0219 4.0219 4.0219 4.2327 4.2327 4.2327 4.2327 4.6208 4.6208 4.6208 4.6208 4.8969 4.8969 4.8969 4.8969 6.8453 6.8453 6.8453 6.8453 7.7643 7.7643 7.7644 7.7644 8.3832 8.3832 8.3832 8.3832 10.9534 10.9534 10.9537 10.9537 11.7593 11.7593 11.7594 11.7594 13.0397 13.0397 k = 0.2619 0.1512 0.2679 ( 4926 PWs) bands (ev): -25.8218 -25.8218 -25.8209 -25.8209 -8.6747 -8.6747 -8.6738 -8.6738 -7.5763 -7.5763 -7.5755 -7.5755 -7.5113 -7.5113 -7.5104 -7.5104 -0.6731 -0.6731 -0.6731 -0.6731 3.6676 3.6676 3.6677 3.6677 4.0352 4.0352 4.0353 4.0353 4.2336 4.2336 4.2337 4.2337 4.6194 4.6194 4.6194 4.6194 4.9016 4.9016 4.9016 4.9016 6.7641 6.7641 6.7641 6.7641 7.7737 7.7737 7.7738 7.7738 8.3196 8.3196 8.3197 8.3197 10.8978 10.8978 10.8981 10.8981 11.7560 11.7560 11.7561 11.7561 13.1315 13.1318 k = 0.2738 0.1581 0.2679 ( 4926 PWs) bands (ev): -25.8215 -25.8215 -25.8206 -25.8206 -8.6762 -8.6762 -8.6753 -8.6753 -7.5780 -7.5780 -7.5771 -7.5771 -7.5135 -7.5135 -7.5126 -7.5126 -0.6548 -0.6548 -0.6548 -0.6548 3.6816 3.6816 3.6817 3.6817 4.0482 4.0482 4.0483 4.0483 4.2355 4.2355 4.2355 4.2355 4.6184 4.6184 4.6184 4.6184 4.9058 4.9058 4.9059 4.9059 6.6770 6.6770 6.6771 6.6771 7.7915 7.7915 7.7915 7.7915 8.2571 8.2571 8.2571 8.2571 10.8434 10.8434 10.8437 10.8437 11.7525 11.7525 11.7526 11.7526 13.2250 13.2252 k = 0.2857 0.1650 0.2679 ( 4924 PWs) bands (ev): -25.8213 -25.8213 -25.8203 -25.8203 -8.6777 -8.6777 -8.6768 -8.6768 -7.5797 -7.5797 -7.5788 -7.5788 -7.5155 -7.5155 -7.5146 -7.5146 -0.6366 -0.6366 -0.6366 -0.6366 3.6966 3.6966 3.6966 3.6966 4.0606 4.0606 4.0606 4.0606 4.2385 4.2385 4.2385 4.2385 4.6178 4.6178 4.6178 4.6178 4.9096 4.9096 4.9096 4.9096 6.5865 6.5865 6.5865 6.5865 7.8151 7.8151 7.8152 7.8152 8.1957 8.1957 8.1957 8.1957 10.7906 10.7906 10.7909 10.7909 11.7487 11.7487 11.7488 11.7488 13.3189 13.3190 k = 0.2976 0.1718 0.2679 ( 4916 PWs) bands (ev): -25.8210 -25.8210 -25.8201 -25.8201 -8.6791 -8.6791 -8.6783 -8.6783 -7.5815 -7.5815 -7.5806 -7.5806 -7.5173 -7.5173 -7.5164 -7.5164 -0.6186 -0.6186 -0.6186 -0.6186 3.7125 3.7125 3.7125 3.7125 4.0722 4.0722 4.0722 4.0722 4.2428 4.2428 4.2428 4.2428 4.6175 4.6175 4.6175 4.6175 4.9129 4.9129 4.9129 4.9129 6.4943 6.4943 6.4944 6.4944 7.8428 7.8428 7.8428 7.8428 8.1359 8.1359 8.1359 8.1359 10.7400 10.7400 10.7403 10.7403 11.7446 11.7446 11.7447 11.7447 13.4108 13.4109 k = 0.3095 0.1787 0.2679 ( 4918 PWs) bands (ev): -25.8208 -25.8208 -25.8198 -25.8198 -8.6806 -8.6806 -8.6797 -8.6797 -7.5834 -7.5834 -7.5825 -7.5825 -7.5190 -7.5190 -7.5181 -7.5181 -0.6010 -0.6010 -0.6010 -0.6010 3.7295 3.7295 3.7295 3.7295 4.0825 4.0825 4.0826 4.0826 4.2485 4.2485 4.2485 4.2485 4.6175 4.6175 4.6176 4.6176 4.9155 4.9155 4.9155 4.9155 6.4020 6.4020 6.4020 6.4020 7.8730 7.8730 7.8731 7.8731 8.0778 8.0778 8.0779 8.0779 10.6918 10.6918 10.6922 10.6922 11.7401 11.7401 11.7402 11.7402 13.4927 13.4927 k = 0.3214 0.1856 0.2679 ( 4922 PWs) bands (ev): -25.8205 -25.8205 -25.8196 -25.8196 -8.6820 -8.6820 -8.6811 -8.6811 -7.5853 -7.5853 -7.5844 -7.5844 -7.5204 -7.5204 -7.5196 -7.5196 -0.5838 -0.5838 -0.5838 -0.5838 3.7473 3.7473 3.7473 3.7473 4.0916 4.0916 4.0917 4.0917 4.2556 4.2556 4.2556 4.2556 4.6179 4.6179 4.6179 4.6179 4.9175 4.9175 4.9175 4.9175 6.3105 6.3105 6.3105 6.3105 7.9046 7.9046 7.9046 7.9046 8.0221 8.0221 8.0221 8.0221 10.6464 10.6464 10.6468 10.6468 11.7352 11.7352 11.7352 11.7352 13.5658 13.5660 k = 0.3333 0.1925 0.2679 ( 4920 PWs) bands (ev): -25.8203 -25.8203 -25.8194 -25.8194 -8.6834 -8.6834 -8.6825 -8.6825 -7.5873 -7.5873 -7.5864 -7.5864 -7.5218 -7.5218 -7.5209 -7.5209 -0.5671 -0.5671 -0.5671 -0.5671 3.7661 3.7661 3.7661 3.7661 4.0994 4.0994 4.0994 4.0994 4.2640 4.2640 4.2641 4.2641 4.6187 4.6187 4.6187 4.6187 4.9188 4.9188 4.9188 4.9188 6.2207 6.2207 6.2208 6.2208 7.9342 7.9342 7.9342 7.9342 7.9713 7.9713 7.9714 7.9714 10.6039 10.6039 10.6043 10.6043 11.7297 11.7297 11.7298 11.7298 13.6379 13.6380 k = 0.3452 0.1993 0.2679 ( 4924 PWs) bands (ev): -25.8201 -25.8201 -25.8191 -25.8191 -8.6847 -8.6847 -8.6838 -8.6838 -7.5892 -7.5892 -7.5884 -7.5884 -7.5229 -7.5229 -7.5220 -7.5220 -0.5511 -0.5511 -0.5510 -0.5510 3.7857 3.7857 3.7857 3.7857 4.1057 4.1057 4.1058 4.1058 4.2737 4.2737 4.2737 4.2737 4.6198 4.6198 4.6198 4.6198 4.9193 4.9193 4.9193 4.9193 6.1334 6.1334 6.1335 6.1335 7.9125 7.9125 7.9125 7.9125 7.9744 7.9744 7.9744 7.9744 10.5645 10.5645 10.5648 10.5648 11.7238 11.7238 11.7239 11.7239 13.7103 13.7106 k = 0.3571 0.2062 0.2679 ( 4928 PWs) bands (ev): -25.8199 -25.8199 -25.8189 -25.8189 -8.6859 -8.6859 -8.6850 -8.6850 -7.5912 -7.5912 -7.5903 -7.5903 -7.5239 -7.5239 -7.5230 -7.5230 -0.5358 -0.5358 -0.5357 -0.5357 3.8060 3.8060 3.8061 3.8061 4.1109 4.1109 4.1110 4.1110 4.2843 4.2843 4.2844 4.2844 4.6213 4.6213 4.6213 4.6213 4.9190 4.9190 4.9190 4.9190 6.0493 6.0493 6.0493 6.0493 7.8649 7.8649 7.8650 7.8650 8.0055 8.0055 8.0055 8.0055 10.5282 10.5282 10.5285 10.5285 11.7175 11.7175 11.7176 11.7176 13.7833 13.7834 k = 0.3690 0.2131 0.2679 ( 4922 PWs) bands (ev): -25.8197 -25.8197 -25.8187 -25.8187 -8.6871 -8.6871 -8.6862 -8.6862 -7.5930 -7.5930 -7.5922 -7.5922 -7.5248 -7.5248 -7.5239 -7.5239 -0.5213 -0.5213 -0.5213 -0.5213 3.8269 3.8269 3.8269 3.8269 4.1151 4.1151 4.1151 4.1151 4.2956 4.2956 4.2956 4.2956 4.6233 4.6233 4.6233 4.6233 4.9178 4.9178 4.9178 4.9178 5.9689 5.9689 5.9690 5.9690 7.8192 7.8192 7.8192 7.8192 8.0367 8.0367 8.0367 8.0367 10.4950 10.4950 10.4954 10.4954 11.7107 11.7107 11.7108 11.7108 13.8566 13.8567 k = 0.3810 0.2199 0.2679 ( 4928 PWs) bands (ev): -25.8195 -25.8195 -25.8185 -25.8185 -8.6882 -8.6882 -8.6873 -8.6873 -7.5948 -7.5948 -7.5940 -7.5940 -7.5255 -7.5255 -7.5247 -7.5247 -0.5077 -0.5077 -0.5077 -0.5077 3.8480 3.8480 3.8481 3.8481 4.1183 4.1183 4.1184 4.1184 4.3071 4.3071 4.3072 4.3072 4.6256 4.6256 4.6257 4.6257 4.9156 4.9156 4.9156 4.9156 5.8929 5.8929 5.8929 5.8929 7.7764 7.7764 7.7764 7.7764 8.0668 8.0668 8.0668 8.0668 10.4651 10.4651 10.4655 10.4655 11.7037 11.7037 11.7038 11.7038 13.9297 13.9299 k = 0.3929 0.2268 0.2679 ( 4922 PWs) bands (ev): -25.8193 -25.8193 -25.8184 -25.8184 -8.6893 -8.6893 -8.6884 -8.6884 -7.5965 -7.5965 -7.5957 -7.5957 -7.5262 -7.5262 -7.5253 -7.5253 -0.4952 -0.4952 -0.4951 -0.4951 3.8692 3.8692 3.8693 3.8693 4.1210 4.1210 4.1210 4.1210 4.3187 4.3187 4.3187 4.3187 4.6284 4.6284 4.6285 4.6285 4.9123 4.9123 4.9123 4.9123 5.8218 5.8218 5.8219 5.8219 7.7368 7.7368 7.7368 7.7368 8.0952 8.0952 8.0952 8.0952 10.4384 10.4384 10.4387 10.4387 11.6965 11.6965 11.6966 11.6966 14.0027 14.0030 k = 0.4048 0.2337 0.2679 ( 4918 PWs) bands (ev): -25.8191 -25.8191 -25.8182 -25.8182 -8.6902 -8.6902 -8.6893 -8.6893 -7.5981 -7.5981 -7.5972 -7.5972 -7.5267 -7.5267 -7.5258 -7.5258 -0.4837 -0.4837 -0.4837 -0.4837 3.8901 3.8901 3.8901 3.8901 4.1232 4.1232 4.1232 4.1232 4.3298 4.3298 4.3298 4.3298 4.6317 4.6317 4.6317 4.6317 4.9080 4.9080 4.9080 4.9080 5.7564 5.7564 5.7564 5.7564 7.7007 7.7007 7.7007 7.7007 8.1215 8.1215 8.1215 8.1215 10.4148 10.4148 10.4152 10.4152 11.6893 11.6893 11.6894 11.6894 14.0751 14.0752 k = 0.4167 0.2406 0.2679 ( 4910 PWs) bands (ev): -25.8190 -25.8190 -25.8181 -25.8181 -8.6911 -8.6911 -8.6902 -8.6902 -7.5996 -7.5996 -7.5987 -7.5987 -7.5272 -7.5272 -7.5263 -7.5263 -0.4734 -0.4734 -0.4734 -0.4734 3.9102 3.9102 3.9102 3.9102 4.1250 4.1250 4.1251 4.1251 4.3404 4.3404 4.3404 4.3404 4.6353 4.6353 4.6353 4.6353 4.9026 4.9026 4.9026 4.9026 5.6970 5.6970 5.6971 5.6971 7.6683 7.6683 7.6683 7.6683 8.1455 8.1455 8.1455 8.1455 10.3943 10.3943 10.3947 10.3947 11.6823 11.6823 11.6824 11.6824 14.1465 14.1466 k = 0.4286 0.2474 0.2679 ( 4904 PWs) bands (ev): -25.8189 -25.8189 -25.8179 -25.8179 -8.6918 -8.6918 -8.6909 -8.6909 -7.6008 -7.6008 -7.6000 -7.6000 -7.5276 -7.5276 -7.5267 -7.5267 -0.4643 -0.4643 -0.4643 -0.4643 3.9290 3.9290 3.9291 3.9291 4.1267 4.1267 4.1267 4.1267 4.3501 4.3501 4.3501 4.3501 4.6393 4.6393 4.6393 4.6393 4.8963 4.8963 4.8963 4.8963 5.6444 5.6444 5.6445 5.6445 7.6398 7.6398 7.6398 7.6398 8.1668 8.1668 8.1668 8.1668 10.3769 10.3769 10.3772 10.3772 11.6757 11.6757 11.6758 11.6758 14.2160 14.2162 k = 0.4405 0.2543 0.2679 ( 4906 PWs) bands (ev): -25.8188 -25.8188 -25.8178 -25.8178 -8.6924 -8.6924 -8.6915 -8.6915 -7.6020 -7.6020 -7.6011 -7.6011 -7.5279 -7.5279 -7.5270 -7.5270 -0.4565 -0.4565 -0.4565 -0.4565 3.9462 3.9462 3.9462 3.9462 4.1281 4.1281 4.1281 4.1281 4.3587 4.3587 4.3587 4.3587 4.6435 4.6435 4.6435 4.6435 4.8893 4.8893 4.8893 4.8893 5.5991 5.5991 5.5991 5.5991 7.6154 7.6154 7.6154 7.6154 8.1852 8.1852 8.1852 8.1852 10.3623 10.3623 10.3626 10.3626 11.6696 11.6696 11.6697 11.6697 14.2831 14.2831 k = 0.4524 0.2612 0.2679 ( 4902 PWs) bands (ev): -25.8187 -25.8187 -25.8177 -25.8177 -8.6930 -8.6930 -8.6921 -8.6921 -7.6029 -7.6029 -7.6020 -7.6020 -7.5281 -7.5281 -7.5272 -7.5272 -0.4501 -0.4501 -0.4501 -0.4501 3.9610 3.9610 3.9611 3.9611 4.1294 4.1294 4.1295 4.1295 4.3660 4.3660 4.3660 4.3660 4.6477 4.6477 4.6477 4.6477 4.8820 4.8820 4.8820 4.8820 5.5615 5.5615 5.5615 5.5615 7.5952 7.5952 7.5952 7.5952 8.2005 8.2005 8.2006 8.2006 10.3505 10.3505 10.3509 10.3509 11.6643 11.6643 11.6644 11.6644 14.3463 14.3464 k = 0.4643 0.2681 0.2679 ( 4910 PWs) bands (ev): -25.8186 -25.8186 -25.8177 -25.8177 -8.6934 -8.6934 -8.6925 -8.6925 -7.6036 -7.6036 -7.6027 -7.6027 -7.5283 -7.5283 -7.5274 -7.5274 -0.4450 -0.4450 -0.4450 -0.4450 3.9731 3.9731 3.9732 3.9732 4.1306 4.1306 4.1306 4.1306 4.3719 4.3719 4.3719 4.3719 4.6517 4.6517 4.6517 4.6517 4.8751 4.8751 4.8751 4.8751 5.5319 5.5319 5.5320 5.5320 7.5793 7.5793 7.5793 7.5793 8.2126 8.2126 8.2127 8.2127 10.3415 10.3415 10.3419 10.3419 11.6600 11.6600 11.6601 11.6601 14.4037 14.4039 k = 0.4762 0.2749 0.2679 ( 4910 PWs) bands (ev): -25.8186 -25.8186 -25.8176 -25.8176 -8.6937 -8.6937 -8.6928 -8.6928 -7.6041 -7.6041 -7.6032 -7.6032 -7.5284 -7.5284 -7.5275 -7.5275 -0.4414 -0.4414 -0.4414 -0.4414 3.9821 3.9821 3.9821 3.9821 4.1315 4.1315 4.1315 4.1315 4.3762 4.3762 4.3762 4.3762 4.6550 4.6550 4.6550 4.6550 4.8693 4.8693 4.8693 4.8693 5.5107 5.5107 5.5107 5.5107 7.5679 7.5679 7.5679 7.5679 8.2214 8.2214 8.2214 8.2214 10.3352 10.3352 10.3355 10.3355 11.6567 11.6567 11.6568 11.6568 14.4522 14.4523 k = 0.4881 0.2818 0.2679 ( 4914 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6939 -8.6939 -8.6930 -8.6930 -7.6045 -7.6045 -7.6036 -7.6036 -7.5285 -7.5285 -7.5276 -7.5276 -0.4392 -0.4392 -0.4392 -0.4392 3.9875 3.9875 3.9876 3.9876 4.1322 4.1322 4.1322 4.1322 4.3788 4.3788 4.3789 4.3789 4.6572 4.6572 4.6572 4.6572 4.8654 4.8654 4.8654 4.8654 5.4979 5.4979 5.4979 5.4979 7.5610 7.5610 7.5611 7.5611 8.2266 8.2266 8.2267 8.2267 10.3314 10.3314 10.3317 10.3317 11.6548 11.6548 11.6548 11.6548 14.4860 14.4864 k = 0.5000 0.2887 0.2679 ( 4904 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6939 -8.6939 -8.6930 -8.6930 -7.6046 -7.6046 -7.6037 -7.6037 -7.5285 -7.5285 -7.5276 -7.5276 -0.4385 -0.4385 -0.4385 -0.4385 3.9894 3.9894 3.9894 3.9894 4.1324 4.1324 4.1324 4.1324 4.3797 4.3797 4.3798 4.3798 4.6580 4.6580 4.6580 4.6580 4.8640 4.8640 4.8640 4.8640 5.4936 5.4936 5.4937 5.4937 7.5587 7.5587 7.5588 7.5588 8.2284 8.2284 8.2284 8.2284 10.3301 10.3301 10.3304 10.3304 11.6541 11.6541 11.6542 11.6542 14.4988 14.4990 k = 0.5000 0.2887 0.2679 ( 4904 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6939 -8.6939 -8.6930 -8.6930 -7.6046 -7.6046 -7.6037 -7.6037 -7.5285 -7.5285 -7.5276 -7.5276 -0.4385 -0.4385 -0.4385 -0.4385 3.9894 3.9894 3.9894 3.9894 4.1324 4.1324 4.1324 4.1324 4.3797 4.3797 4.3798 4.3798 4.6580 4.6580 4.6580 4.6580 4.8640 4.8640 4.8640 4.8640 5.4936 5.4936 5.4937 5.4937 7.5587 7.5587 7.5588 7.5588 8.2284 8.2284 8.2284 8.2284 10.3301 10.3301 10.3304 10.3304 11.6541 11.6541 11.6542 11.6542 14.4986 14.4989 k = 0.4931 0.3007 0.2679 ( 4918 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6940 -8.6940 -8.6931 -8.6931 -7.6045 -7.6045 -7.6036 -7.6036 -7.5287 -7.5287 -7.5278 -7.5278 -0.4387 -0.4387 -0.4378 -0.4378 3.9869 3.9869 3.9914 3.9914 4.1166 4.1166 4.1497 4.1497 4.3702 4.3702 4.3897 4.3897 4.6526 4.6526 4.6628 4.6628 4.8572 4.8572 4.8724 4.8724 5.4931 5.4931 5.4942 5.4942 7.5485 7.5485 7.5579 7.5579 8.2277 8.2277 8.2298 8.2298 10.3317 10.3317 10.3320 10.3320 11.6595 11.6595 11.6614 11.6614 14.4448 14.4467 k = 0.4861 0.3127 0.2679 ( 4916 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6940 -8.6940 -8.6931 -8.6931 -7.6043 -7.6043 -7.6034 -7.6034 -7.5290 -7.5290 -7.5281 -7.5281 -0.4384 -0.4384 -0.4366 -0.4366 3.9841 3.9841 3.9929 3.9929 4.1027 4.1027 4.1683 4.1683 4.3613 4.3613 4.3999 4.3999 4.6468 4.6468 4.6670 4.6670 4.8521 4.8521 4.8825 4.8825 5.4925 5.4925 5.4949 5.4949 7.5273 7.5273 7.5459 7.5459 8.2277 8.2277 8.2319 8.2319 10.3365 10.3365 10.3368 10.3368 11.6773 11.6773 11.6810 11.6810 14.3875 14.3878 k = 0.4792 0.3248 0.2679 ( 4912 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6940 -8.6940 -8.6931 -8.6931 -7.6040 -7.6040 -7.6031 -7.6031 -7.5296 -7.5296 -7.5287 -7.5287 -0.4376 -0.4376 -0.4349 -0.4349 3.9812 3.9812 3.9934 3.9934 4.0909 4.0909 4.1881 4.1881 4.3531 4.3531 4.4101 4.4101 4.6408 4.6408 4.6704 4.6704 4.8487 4.8487 4.8943 4.8943 5.4920 5.4920 5.4955 5.4955 7.4958 7.4958 7.5232 7.5232 8.2283 8.2283 8.2345 8.2345 10.3441 10.3441 10.3447 10.3447 11.7074 11.7074 11.7128 11.7128 14.3312 14.3361 k = 0.4722 0.3368 0.2679 ( 4910 PWs) bands (ev): -25.8185 -25.8185 -25.8175 -25.8175 -8.6941 -8.6941 -8.6932 -8.6932 -7.6036 -7.6036 -7.6027 -7.6027 -7.5305 -7.5305 -7.5296 -7.5296 -0.4364 -0.4364 -0.4328 -0.4328 3.9782 3.9782 3.9927 3.9927 4.0815 4.0815 4.2087 4.2087 4.3458 4.3458 4.4203 4.4203 4.6346 4.6346 4.6729 4.6729 4.8471 4.8471 4.9078 4.9078 5.4915 5.4915 5.4962 5.4962 7.4547 7.4547 7.4904 7.4904 8.2296 8.2296 8.2378 8.2378 10.3541 10.3541 10.3554 10.3554 11.7492 11.7492 11.7561 11.7561 14.2760 14.2798 k = 0.4653 0.3488 0.2679 ( 4914 PWs) bands (ev): -25.8184 -25.8184 -25.8175 -25.8175 -8.6942 -8.6942 -8.6933 -8.6933 -7.6031 -7.6031 -7.6021 -7.6021 -7.5315 -7.5315 -7.5306 -7.5306 -0.4348 -0.4348 -0.4303 -0.4303 3.9752 3.9752 3.9908 3.9908 4.0747 4.0747 4.2300 4.2300 4.3396 4.3396 4.4301 4.4301 4.6283 4.6283 4.6743 4.6743 4.8472 4.8472 4.9230 4.9230 5.4911 5.4911 5.4970 5.4970 7.4050 7.4050 7.4484 7.4484 8.2314 8.2314 8.2416 8.2416 10.3661 10.3661 10.3684 10.3684 11.8020 11.8020 11.8101 11.8101 14.2222 14.2251 k = 0.4583 0.3608 0.2679 ( 4930 PWs) bands (ev): -25.8184 -25.8184 -25.8175 -25.8175 -8.6944 -8.6944 -8.6935 -8.6935 -7.6024 -7.6024 -7.6015 -7.6015 -7.5328 -7.5328 -7.5319 -7.5319 -0.4327 -0.4327 -0.4274 -0.4274 3.9722 3.9722 3.9876 3.9876 4.0703 4.0703 4.2516 4.2516 4.3346 4.3346 4.4395 4.4395 4.6219 4.6219 4.6746 4.6746 4.8492 4.8492 4.9401 4.9401 5.4908 5.4908 5.4978 5.4978 7.3478 7.3478 7.3982 7.3982 8.2339 8.2339 8.2460 8.2460 10.3798 10.3798 10.3834 10.3834 11.8649 11.8649 11.8740 11.8740 14.1704 14.1713 k = 0.4514 0.3729 0.2679 ( 4934 PWs) bands (ev): -25.8184 -25.8184 -25.8174 -25.8174 -8.6945 -8.6945 -8.6936 -8.6936 -7.6016 -7.6016 -7.6007 -7.6007 -7.5343 -7.5343 -7.5334 -7.5334 -0.4302 -0.4302 -0.4241 -0.4241 3.9693 3.9693 3.9835 3.9835 4.0680 4.0680 4.2732 4.2732 4.3313 4.3313 4.4484 4.4484 4.6155 4.6155 4.6738 4.6738 4.8530 4.8530 4.9590 4.9590 5.4905 5.4905 5.4988 5.4988 7.2842 7.2842 7.3409 7.3409 8.2368 8.2368 8.2507 8.2507 10.3946 10.3946 10.4000 10.4000 11.9370 11.9370 11.9466 11.9466 14.1207 14.1211 k = 0.4444 0.3849 0.2679 ( 4940 PWs) bands (ev): -25.8183 -25.8183 -25.8174 -25.8174 -8.6947 -8.6947 -8.6938 -8.6938 -7.6008 -7.6008 -7.5998 -7.5998 -7.5360 -7.5360 -7.5351 -7.5351 -0.4274 -0.4274 -0.4205 -0.4205 3.9664 3.9664 3.9790 3.9790 4.0674 4.0674 4.2936 4.2936 4.3305 4.3305 4.4565 4.4565 4.6093 4.6093 4.6719 4.6719 4.8586 4.8586 4.9798 4.9798 5.4905 5.4905 5.4999 5.4999 7.2154 7.2154 7.2776 7.2776 8.2403 8.2403 8.2559 8.2559 10.4104 10.4104 10.4178 10.4178 12.0170 12.0170 12.0266 12.0266 14.0727 14.0729 k = 0.4375 0.3969 0.2679 ( 4944 PWs) bands (ev): -25.8183 -25.8183 -25.8173 -25.8173 -8.6948 -8.6948 -8.6939 -8.6939 -7.5998 -7.5998 -7.5988 -7.5988 -7.5378 -7.5378 -7.5369 -7.5369 -0.4243 -0.4243 -0.4166 -0.4166 3.9637 3.9637 3.9745 3.9745 4.0679 4.0679 4.3094 4.3094 4.3355 4.3355 4.4639 4.4639 4.6032 4.6032 4.6689 4.6689 4.8659 4.8659 5.0023 5.0023 5.4906 5.4906 5.5011 5.5011 7.1425 7.1425 7.2095 7.2095 8.2442 8.2442 8.2614 8.2614 10.4267 10.4267 10.4363 10.4363 12.1035 12.1035 12.1128 12.1128 14.0270 14.0271 k = 0.4306 0.4090 0.2679 ( 4940 PWs) bands (ev): -25.8182 -25.8182 -25.8173 -25.8173 -8.6950 -8.6950 -8.6941 -8.6941 -7.5987 -7.5987 -7.5977 -7.5977 -7.5398 -7.5398 -7.5389 -7.5389 -0.4209 -0.4209 -0.4124 -0.4124 3.9611 3.9611 3.9705 3.9705 4.0690 4.0690 4.3167 4.3167 4.3502 4.3502 4.4704 4.4704 4.5974 4.5974 4.6650 4.6650 4.8749 4.8749 5.0266 5.0266 5.4909 5.4909 5.5026 5.5026 7.0666 7.0666 7.1376 7.1376 8.2484 8.2484 8.2671 8.2671 10.4434 10.4434 10.4552 10.4552 12.1953 12.1953 12.2035 12.2035 13.9844 13.9844 k = 0.4236 0.4210 0.2679 ( 4944 PWs) bands (ev): -25.8182 -25.8182 -25.8172 -25.8172 -8.6952 -8.6952 -8.6943 -8.6943 -7.5975 -7.5975 -7.5965 -7.5965 -7.5419 -7.5419 -7.5410 -7.5410 -0.4173 -0.4173 -0.4081 -0.4081 3.9587 3.9587 3.9671 3.9671 4.0705 4.0705 4.3200 4.3200 4.3695 4.3695 4.4760 4.4760 4.5918 4.5918 4.6601 4.6601 4.8853 4.8853 5.0525 5.0525 5.4915 5.4915 5.5043 5.5043 6.9888 6.9888 7.0631 7.0631 8.2529 8.2529 8.2731 8.2731 10.4601 10.4601 10.4743 10.4743 12.2906 12.2906 12.2973 12.2973 13.9450 13.9451 k = 0.4167 0.4330 0.2679 ( 4944 PWs) bands (ev): -25.8181 -25.8181 -25.8172 -25.8172 -8.6955 -8.6955 -8.6945 -8.6945 -7.5963 -7.5963 -7.5952 -7.5952 -7.5442 -7.5442 -7.5433 -7.5433 -0.4135 -0.4135 -0.4037 -0.4037 3.9565 3.9565 3.9647 3.9647 4.0720 4.0720 4.3232 4.3232 4.3895 4.3895 4.4807 4.4807 4.5865 4.5865 4.6545 4.6545 4.8971 4.8971 5.0798 5.0798 5.4925 5.4925 5.5063 5.5063 6.9100 6.9100 6.9868 6.9868 8.2577 8.2577 8.2791 8.2791 10.4766 10.4766 10.4933 10.4933 12.3879 12.3879 12.3924 12.3924 13.9093 13.9093 k = 0.4097 0.4450 0.2679 ( 4944 PWs) bands (ev): -25.8181 -25.8181 -25.8171 -25.8171 -8.6957 -8.6957 -8.6947 -8.6947 -7.5950 -7.5950 -7.5938 -7.5938 -7.5465 -7.5465 -7.5456 -7.5456 -0.4097 -0.4097 -0.3992 -0.3992 3.9544 3.9544 3.9632 3.9632 4.0734 4.0734 4.3272 4.3272 4.4090 4.4090 4.4846 4.4846 4.5816 4.5816 4.6482 4.6482 4.9101 4.9101 5.1082 5.1082 5.4939 5.4939 5.5086 5.5086 6.8314 6.8314 6.9098 6.9098 8.2626 8.2626 8.2852 8.2852 10.4928 10.4928 10.5118 10.5118 12.4853 12.4853 12.4870 12.4870 13.8774 13.8774 k = 0.4028 0.4571 0.2679 ( 4944 PWs) bands (ev): -25.8180 -25.8180 -25.8171 -25.8171 -8.6959 -8.6959 -8.6950 -8.6950 -7.5935 -7.5935 -7.5924 -7.5924 -7.5489 -7.5489 -7.5480 -7.5480 -0.4058 -0.4058 -0.3947 -0.3947 3.9526 3.9526 3.9627 3.9627 4.0745 4.0745 4.3323 4.3323 4.4275 4.4275 4.4877 4.4877 4.5770 4.5770 4.6413 4.6413 4.9241 4.9241 5.1374 5.1374 5.4958 5.4958 5.5113 5.5113 6.7538 6.7538 6.8331 6.8331 8.2676 8.2676 8.2913 8.2913 10.5084 10.5084 10.5297 10.5297 12.5792 12.5792 12.5808 12.5808 13.8498 13.8498 k = 0.3958 0.4691 0.2679 ( 4942 PWs) bands (ev): -25.8180 -25.8180 -25.8170 -25.8170 -8.6961 -8.6961 -8.6952 -8.6952 -7.5921 -7.5921 -7.5909 -7.5909 -7.5514 -7.5514 -7.5505 -7.5505 -0.4020 -0.4020 -0.3903 -0.3903 3.9510 3.9510 3.9633 3.9633 4.0752 4.0752 4.3384 4.3384 4.4446 4.4446 4.4901 4.4901 4.5729 4.5729 4.6339 4.6339 4.9388 4.9388 5.1669 5.1669 5.4982 5.4982 5.5142 5.5142 6.6783 6.6783 6.7576 6.7576 8.2725 8.2725 8.2973 8.2973 10.5231 10.5231 10.5467 10.5467 12.6673 12.6673 12.6726 12.6726 13.8266 13.8266 k = 0.3889 0.4811 0.2679 ( 4934 PWs) bands (ev): -25.8179 -25.8179 -25.8170 -25.8170 -8.6963 -8.6963 -8.6954 -8.6954 -7.5905 -7.5905 -7.5893 -7.5893 -7.5538 -7.5538 -7.5529 -7.5529 -0.3983 -0.3983 -0.3861 -0.3861 3.9497 3.9497 3.9649 3.9649 4.0754 4.0754 4.3454 4.3454 4.4602 4.4602 4.4918 4.4918 4.5692 4.5692 4.6261 4.6261 4.9540 4.9540 5.1965 5.1965 5.5011 5.5011 5.5174 5.5174 6.6060 6.6060 6.6845 6.6845 8.2774 8.2774 8.3030 8.3030 10.5369 10.5369 10.5624 10.5624 12.7492 12.7492 12.7586 12.7586 13.8079 13.8079 k = 0.3819 0.4932 0.2679 ( 4938 PWs) bands (ev): -25.8178 -25.8178 -25.8169 -25.8169 -8.6966 -8.6966 -8.6956 -8.6956 -7.5890 -7.5890 -7.5877 -7.5877 -7.5563 -7.5563 -7.5553 -7.5553 -0.3947 -0.3947 -0.3821 -0.3821 3.9485 3.9485 3.9675 3.9675 4.0750 4.0750 4.3534 4.3534 4.4739 4.4739 4.4929 4.4929 4.5659 4.5659 4.6182 4.6182 4.9691 4.9691 5.2253 5.2253 5.5045 5.5045 5.5207 5.5207 6.5380 6.5380 6.6147 6.6147 8.2821 8.2821 8.3085 8.3085 10.5493 10.5493 10.5768 10.5768 12.8233 12.8233 12.8370 12.8370 13.7935 13.7935 k = 0.3750 0.5052 0.2679 ( 4942 PWs) bands (ev): -25.8178 -25.8178 -25.8169 -25.8169 -8.6968 -8.6968 -8.6958 -8.6958 -7.5874 -7.5874 -7.5861 -7.5861 -7.5587 -7.5587 -7.5577 -7.5577 -0.3914 -0.3914 -0.3784 -0.3784 3.9476 3.9476 3.9709 3.9709 4.0740 4.0740 4.3620 4.3620 4.4858 4.4858 4.4936 4.4936 4.5631 4.5631 4.6102 4.6102 4.9839 4.9839 5.2529 5.2529 5.5082 5.5082 5.5239 5.5239 6.4754 6.4754 6.5496 6.5496 8.2866 8.2866 8.3135 8.3135 10.5604 10.5604 10.5895 10.5895 12.8882 12.8882 12.9061 12.9061 13.7829 13.7829 k = 0.3681 0.5172 0.2679 ( 4942 PWs) bands (ev): -25.8178 -25.8178 -25.8168 -25.8168 -8.6969 -8.6969 -8.6960 -8.6960 -7.5858 -7.5858 -7.5845 -7.5845 -7.5610 -7.5610 -7.5600 -7.5600 -0.3884 -0.3884 -0.3751 -0.3751 3.9470 3.9470 3.9750 3.9750 4.0724 4.0724 4.3710 4.3710 4.4939 4.4939 4.4955 4.4955 4.5608 4.5608 4.6025 4.6025 4.9978 4.9978 5.2787 5.2787 5.5118 5.5118 5.5267 5.5267 6.4196 6.4196 6.4906 6.4906 8.2906 8.2906 8.3181 8.3181 10.5698 10.5698 10.6004 10.6004 12.9430 12.9430 12.9650 12.9650 13.7751 13.7751 k = 0.3611 0.5292 0.2679 ( 4938 PWs) bands (ev): -25.8177 -25.8177 -25.8168 -25.8168 -8.6971 -8.6971 -8.6962 -8.6962 -7.5843 -7.5843 -7.5829 -7.5829 -7.5631 -7.5631 -7.5621 -7.5621 -0.3858 -0.3858 -0.3722 -0.3722 3.9466 3.9466 3.9795 3.9795 4.0704 4.0704 4.3799 4.3799 4.4939 4.4939 4.5031 4.5031 4.5589 4.5589 4.5954 4.5954 5.0103 5.0103 5.3018 5.3018 5.5150 5.5150 5.5289 5.5289 6.3718 6.3718 6.4392 6.4392 8.2942 8.2942 8.3221 8.3221 10.5776 10.5776 10.6093 10.6093 12.9874 12.9874 13.0130 13.0130 13.7689 13.7689 k = 0.3542 0.5413 0.2679 ( 4934 PWs) bands (ev): -25.8177 -25.8177 -25.8168 -25.8168 -8.6972 -8.6972 -8.6963 -8.6963 -7.5829 -7.5829 -7.5814 -7.5814 -7.5651 -7.5651 -7.5640 -7.5640 -0.3837 -0.3837 -0.3698 -0.3698 3.9463 3.9463 3.9842 3.9842 4.0680 4.0680 4.3883 4.3883 4.4937 4.4937 4.5086 4.5086 4.5575 4.5575 4.5893 4.5893 5.0208 5.0208 5.3218 5.3218 5.5171 5.5171 5.5303 5.5303 6.3334 6.3334 6.3971 6.3971 8.2971 8.2971 8.3254 8.3254 10.5835 10.5835 10.6162 10.6162 13.0212 13.0212 13.0500 13.0500 13.7632 13.7632 k = 0.3472 0.5533 0.2679 ( 4934 PWs) bands (ev): -25.8177 -25.8177 -25.8167 -25.8167 -8.6973 -8.6973 -8.6964 -8.6964 -7.5818 -7.5818 -7.5801 -7.5801 -7.5667 -7.5667 -7.5656 -7.5656 -0.3820 -0.3820 -0.3681 -0.3681 3.9462 3.9462 3.9884 3.9884 4.0656 4.0656 4.3953 4.3953 4.4935 4.4935 4.5121 4.5121 4.5566 4.5566 4.5846 4.5846 5.0288 5.0288 5.3376 5.3376 5.5176 5.5176 5.5307 5.5307 6.3053 6.3053 6.3658 6.3658 8.2994 8.2994 8.3279 8.3279 10.5876 10.5876 10.6210 10.6210 13.0450 13.0450 13.0761 13.0761 13.7575 13.7575 k = 0.3403 0.5653 0.2679 ( 4926 PWs) bands (ev): -25.8176 -25.8176 -25.8167 -25.8167 -8.6974 -8.6974 -8.6965 -8.6965 -7.5810 -7.5810 -7.5792 -7.5792 -7.5678 -7.5678 -7.5666 -7.5666 -0.3810 -0.3810 -0.3670 -0.3670 3.9462 3.9462 3.9915 3.9915 4.0637 4.0637 4.4002 4.4002 4.4933 4.4933 4.5139 4.5139 4.5560 4.5560 4.5817 4.5817 5.0339 5.0339 5.3484 5.3484 5.5169 5.5169 5.5304 5.5304 6.2883 6.2883 6.3467 6.3467 8.3008 8.3008 8.3294 8.3294 10.5900 10.5900 10.6238 10.6238 13.0590 13.0590 13.0916 13.0916 13.7528 13.7528 k = 0.3333 0.5774 0.2679 ( 4914 PWs) bands (ev): -25.8176 -25.8176 -25.8167 -25.8167 -8.6974 -8.6974 -8.6965 -8.6965 -7.5807 -7.5807 -7.5789 -7.5789 -7.5682 -7.5682 -7.5670 -7.5670 -0.3807 -0.3807 -0.3666 -0.3666 3.9462 3.9462 3.9927 3.9927 4.0630 4.0630 4.4020 4.4020 4.4933 4.4933 4.5144 4.5144 4.5559 4.5559 4.5807 4.5807 5.0356 5.0356 5.3524 5.3524 5.5162 5.5162 5.5302 5.5302 6.2827 6.2827 6.3403 6.3403 8.3014 8.3014 8.3300 8.3300 10.5908 10.5908 10.6247 10.6247 13.0636 13.0636 13.0967 13.0967 13.7508 13.7508 k = 0.3333 0.5774 0.2679 ( 4914 PWs) bands (ev): -25.8176 -25.8176 -25.8167 -25.8167 -8.6974 -8.6974 -8.6965 -8.6965 -7.5807 -7.5807 -7.5789 -7.5789 -7.5682 -7.5682 -7.5670 -7.5670 -0.3807 -0.3807 -0.3666 -0.3666 3.9462 3.9462 3.9927 3.9927 4.0630 4.0630 4.4020 4.4020 4.4933 4.4933 4.5144 4.5144 4.5559 4.5559 4.5807 4.5807 5.0356 5.0356 5.3524 5.3524 5.5162 5.5162 5.5302 5.5302 6.2827 6.2827 6.3403 6.3403 8.3014 8.3014 8.3300 8.3300 10.5908 10.5908 10.6247 10.6247 13.0636 13.0636 13.0967 13.0967 13.7508 13.7508 k = 0.3264 0.5653 0.2679 ( 4926 PWs) bands (ev): -25.8176 -25.8176 -25.8167 -25.8167 -8.6974 -8.6974 -8.6965 -8.6965 -7.5810 -7.5810 -7.5792 -7.5792 -7.5678 -7.5678 -7.5666 -7.5666 -0.3810 -0.3810 -0.3670 -0.3670 3.9462 3.9462 3.9913 3.9913 4.0638 4.0638 4.4001 4.4001 4.4934 4.4934 4.5139 4.5139 4.5560 4.5560 4.5817 4.5817 5.0339 5.0339 5.3479 5.3479 5.5177 5.5177 5.5308 5.5308 6.2882 6.2882 6.3465 6.3465 8.3008 8.3008 8.3294 8.3294 10.5901 10.5901 10.6239 10.6239 13.0591 13.0591 13.0917 13.0917 13.7535 13.7535 k = 0.3194 0.5533 0.2679 ( 4938 PWs) bands (ev): -25.8177 -25.8177 -25.8167 -25.8167 -8.6973 -8.6973 -8.6964 -8.6964 -7.5817 -7.5817 -7.5800 -7.5800 -7.5668 -7.5668 -7.5657 -7.5657 -0.3822 -0.3822 -0.3682 -0.3682 3.9460 3.9460 3.9870 3.9870 4.0665 4.0665 4.3943 4.3943 4.4937 4.4937 4.5121 4.5121 4.5563 4.5563 4.5848 4.5848 5.0287 5.0287 5.3341 5.3341 5.5234 5.5234 5.5335 5.5335 6.3040 6.3040 6.3646 6.3646 8.2991 8.2991 8.3276 8.3276 10.5883 10.5883 10.6217 10.6217 13.0461 13.0461 13.0772 13.0772 13.7625 13.7625 k = 0.3125 0.5413 0.2679 ( 4942 PWs) bands (ev): -25.8177 -25.8177 -25.8168 -25.8168 -8.6972 -8.6972 -8.6962 -8.6962 -7.5826 -7.5826 -7.5810 -7.5810 -7.5654 -7.5654 -7.5643 -7.5643 -0.3842 -0.3842 -0.3703 -0.3703 3.9456 3.9456 3.9799 3.9799 4.0708 4.0708 4.3851 4.3851 4.4943 4.4943 4.5086 4.5086 4.5568 4.5568 4.5899 4.5899 5.0207 5.0207 5.3120 5.3120 5.5340 5.5340 5.5393 5.5393 6.3292 6.3292 6.3933 6.3933 8.2960 8.2960 8.3243 8.3243 10.5856 10.5856 10.6184 10.6184 13.0252 13.0252 13.0540 13.0540 13.7783 13.7783 k = 0.3056 0.5292 0.2679 ( 4950 PWs) bands (ev): -25.8177 -25.8177 -25.8168 -25.8168 -8.6970 -8.6970 -8.6961 -8.6961 -7.5836 -7.5836 -7.5820 -7.5820 -7.5638 -7.5638 -7.5627 -7.5627 -0.3870 -0.3870 -0.3734 -0.3734 3.9448 3.9448 3.9704 3.9704 4.0759 4.0759 4.3730 4.3730 4.4951 4.4951 4.5029 4.5029 4.5571 4.5571 4.5964 4.5964 5.0105 5.0105 5.2836 5.2836 5.5492 5.5492 5.5492 5.5492 6.3627 6.3627 6.4310 6.4310 8.2916 8.2916 8.3196 8.3196 10.5824 10.5824 10.6144 10.6144 12.9975 12.9975 13.0234 13.0234 13.7999 13.7999 k = 0.2986 0.5172 0.2679 ( 4946 PWs) bands (ev): -25.8178 -25.8178 -25.8169 -25.8169 -8.6967 -8.6967 -8.6958 -8.6958 -7.5845 -7.5845 -7.5831 -7.5831 -7.5620 -7.5620 -7.5610 -7.5610 -0.3908 -0.3908 -0.3774 -0.3774 3.9436 3.9436 3.9592 3.9592 4.0815 4.0815 4.3587 4.3587 4.4949 4.4949 4.4961 4.4961 4.5573 4.5573 4.6038 4.6038 4.9991 4.9991 5.2512 5.2512 5.5637 5.5637 5.5687 5.5687 6.4035 6.4035 6.4764 6.4764 8.2856 8.2856 8.3134 8.3134 10.5792 10.5792 10.6102 10.6102 12.9640 12.9640 12.9869 12.9869 13.8241 13.8241 k = 0.2917 0.5052 0.2679 ( 4944 PWs) bands (ev): -25.8179 -25.8179 -25.8169 -25.8169 -8.6964 -8.6964 -8.6955 -8.6955 -7.5854 -7.5854 -7.5840 -7.5840 -7.5601 -7.5601 -7.5591 -7.5591 -0.3955 -0.3955 -0.3824 -0.3824 3.9417 3.9417 3.9464 3.9464 4.0870 4.0870 4.3427 4.3427 4.4844 4.4844 4.4972 4.4972 4.5571 4.5571 4.6112 4.6112 4.9873 4.9873 5.2170 5.2170 5.5832 5.5832 5.5920 5.5920 6.4505 6.4505 6.5282 6.5282 8.2780 8.2780 8.3054 8.3054 10.5764 10.5764 10.6062 10.6062 12.9260 12.9260 12.9459 12.9459 13.8420 13.8420 k = 0.2847 0.4932 0.2679 ( 4940 PWs) bands (ev): -25.8179 -25.8179 -25.8170 -25.8170 -8.6960 -8.6960 -8.6950 -8.6950 -7.5862 -7.5862 -7.5847 -7.5847 -7.5581 -7.5581 -7.5572 -7.5572 -0.4012 -0.4012 -0.3885 -0.3885 3.9324 3.9324 3.9390 3.9390 4.0922 4.0922 4.3257 4.3257 4.4717 4.4717 4.4982 4.4982 4.5565 4.5565 4.6181 4.6181 4.9762 4.9762 5.1823 5.1823 5.6080 5.6080 5.6191 5.6191 6.5029 6.5029 6.5853 6.5853 8.2686 8.2686 8.2957 8.2957 10.5745 10.5745 10.6029 10.6029 12.8845 12.8845 12.9015 12.9015 13.8359 13.8359 k = 0.2778 0.4811 0.2679 ( 4952 PWs) bands (ev): -25.8180 -25.8180 -25.8171 -25.8171 -8.6955 -8.6955 -8.6946 -8.6946 -7.5868 -7.5868 -7.5854 -7.5854 -7.5562 -7.5562 -7.5552 -7.5552 -0.4078 -0.4078 -0.3955 -0.3955 3.9175 3.9175 3.9352 3.9352 4.0969 4.0969 4.3079 4.3079 4.4570 4.4570 4.4986 4.4986 4.5553 4.5553 4.6240 4.6240 4.9662 4.9662 5.1485 5.1485 5.6379 5.6379 5.6499 5.6499 6.5599 6.5599 6.6468 6.6468 8.2575 8.2575 8.2843 8.2843 10.5738 10.5738 10.6009 10.6009 12.8404 12.8404 12.8549 12.8549 13.7960 13.7960 k = 0.2708 0.4691 0.2679 ( 4952 PWs) bands (ev): -25.8181 -25.8181 -25.8172 -25.8172 -8.6949 -8.6949 -8.6940 -8.6940 -7.5872 -7.5872 -7.5858 -7.5858 -7.5542 -7.5542 -7.5532 -7.5532 -0.4155 -0.4155 -0.4036 -0.4036 3.9018 3.9018 3.9303 3.9303 4.1010 4.1010 4.2900 4.2900 4.4406 4.4406 4.4981 4.4981 4.5537 4.5537 4.6286 4.6286 4.9579 4.9579 5.1164 5.1164 5.6731 5.6731 5.6845 5.6845 6.6208 6.6208 6.7119 6.7119 8.2446 8.2446 8.2710 8.2710 10.5750 10.5750 10.6004 10.6004 12.7947 12.7947 12.8067 12.8067 13.7331 13.7331 k = 0.2639 0.4571 0.2679 ( 4950 PWs) bands (ev): -25.8183 -25.8183 -25.8173 -25.8173 -8.6943 -8.6943 -8.6934 -8.6934 -7.5875 -7.5875 -7.5861 -7.5861 -7.5521 -7.5521 -7.5511 -7.5511 -0.4241 -0.4241 -0.4128 -0.4128 3.8855 3.8855 3.9240 3.9240 4.1043 4.1043 4.2722 4.2722 4.4227 4.4227 4.4958 4.4958 4.5522 4.5522 4.6320 4.6320 4.9514 4.9514 5.0868 5.0868 5.7134 5.7134 5.7231 5.7231 6.6851 6.6851 6.7800 6.7800 8.2299 8.2299 8.2559 8.2559 10.5783 10.5783 10.6021 10.6021 12.7479 12.7479 12.7578 12.7578 13.6570 13.6570 k = 0.2569 0.4450 0.2679 ( 4938 PWs) bands (ev): -25.8184 -25.8184 -25.8174 -25.8174 -8.6936 -8.6936 -8.6927 -8.6927 -7.5876 -7.5876 -7.5862 -7.5862 -7.5501 -7.5501 -7.5491 -7.5491 -0.4338 -0.4338 -0.4229 -0.4229 3.8688 3.8688 3.9162 3.9162 4.1069 4.1069 4.2550 4.2550 4.4039 4.4039 4.4910 4.4910 4.5513 4.5513 4.6341 4.6341 4.9465 4.9465 5.0600 5.0600 5.7588 5.7588 5.7658 5.7658 6.7524 6.7524 6.8507 6.8507 8.2134 8.2134 8.2390 8.2390 10.5841 10.5841 10.6062 10.6062 12.7005 12.7005 12.7086 12.7086 13.5729 13.5729 k = 0.2500 0.4330 0.2679 ( 4930 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6928 -8.6928 -8.6918 -8.6918 -7.5875 -7.5875 -7.5861 -7.5861 -7.5480 -7.5480 -7.5470 -7.5470 -0.4444 -0.4444 -0.4341 -0.4341 3.8518 3.8518 3.9066 3.9066 4.1088 4.1088 4.2387 4.2387 4.3843 4.3843 4.4831 4.4831 4.5514 4.5514 4.6351 4.6351 4.9430 4.9430 5.0364 5.0364 5.8091 5.8091 5.8126 5.8126 6.8220 6.8220 6.9233 6.9233 8.1952 8.1952 8.2206 8.2206 10.5929 10.5929 10.6132 10.6132 12.6531 12.6531 12.6595 12.6595 13.4839 13.4839 k = 0.2431 0.4210 0.2679 ( 4940 PWs) bands (ev): -25.8187 -25.8187 -25.8178 -25.8178 -8.6919 -8.6919 -8.6910 -8.6910 -7.5873 -7.5873 -7.5859 -7.5859 -7.5459 -7.5459 -7.5449 -7.5449 -0.4559 -0.4559 -0.4462 -0.4462 3.8348 3.8348 3.8954 3.8954 4.1098 4.1098 4.2233 4.2233 4.3645 4.3645 4.4718 4.4718 4.5526 4.5526 4.6351 4.6351 4.9405 4.9405 5.0159 5.0159 5.8636 5.8636 5.8641 5.8641 6.8937 6.8937 6.9975 6.9975 8.1756 8.1756 8.2007 8.2007 10.6048 10.6048 10.6233 10.6233 12.6060 12.6060 12.6108 12.6108 13.3918 13.3918 k = 0.2361 0.4090 0.2679 ( 4940 PWs) bands (ev): -25.8189 -25.8189 -25.8179 -25.8179 -8.6909 -8.6909 -8.6900 -8.6900 -7.5869 -7.5869 -7.5855 -7.5855 -7.5438 -7.5438 -7.5427 -7.5427 -0.4684 -0.4684 -0.4592 -0.4592 3.8177 3.8177 3.8825 3.8825 4.1101 4.1101 4.2091 4.2091 4.3448 4.3448 4.4576 4.4576 4.5549 4.5549 4.6345 4.6345 4.9388 4.9388 4.9984 4.9984 5.9188 5.9188 5.9237 5.9237 6.9670 6.9670 7.0727 7.0727 8.1547 8.1547 8.1797 8.1797 10.6202 10.6202 10.6369 10.6369 12.5593 12.5593 12.5628 12.5628 13.2981 13.2981 k = 0.2292 0.3969 0.2679 ( 4936 PWs) bands (ev): -25.8191 -25.8191 -25.8181 -25.8181 -8.6899 -8.6899 -8.6890 -8.6890 -7.5864 -7.5864 -7.5849 -7.5849 -7.5417 -7.5417 -7.5406 -7.5406 -0.4818 -0.4818 -0.4732 -0.4732 3.8008 3.8008 3.8680 3.8680 4.1097 4.1097 4.1958 4.1958 4.3256 4.3256 4.4409 4.4409 4.5580 4.5580 4.6334 4.6334 4.9375 4.9375 4.9836 4.9836 5.9780 5.9780 5.9875 5.9875 7.0415 7.0415 7.1485 7.1485 8.1328 8.1328 8.1580 8.1580 10.6392 10.6392 10.6540 10.6540 12.5134 12.5134 12.5158 12.5158 13.2038 13.2038 k = 0.2222 0.3849 0.2679 ( 4940 PWs) bands (ev): -25.8193 -25.8193 -25.8183 -25.8183 -8.6888 -8.6888 -8.6879 -8.6879 -7.5857 -7.5857 -7.5843 -7.5843 -7.5395 -7.5395 -7.5384 -7.5384 -0.4960 -0.4960 -0.4879 -0.4879 3.7842 3.7842 3.8523 3.8523 4.1085 4.1085 4.1833 4.1833 4.3074 4.3074 4.4225 4.4225 4.5616 4.5616 4.6319 4.6319 4.9364 4.9364 4.9711 4.9711 6.0413 6.0413 6.0553 6.0553 7.1166 7.1166 7.2243 7.2243 8.1104 8.1104 8.1361 8.1361 10.6620 10.6620 10.6749 10.6749 12.4683 12.4683 12.4697 12.4697 13.1097 13.1097 k = 0.2153 0.3729 0.2679 ( 4936 PWs) bands (ev): -25.8195 -25.8195 -25.8185 -25.8185 -8.6876 -8.6876 -8.6867 -8.6867 -7.5849 -7.5849 -7.5835 -7.5835 -7.5373 -7.5373 -7.5362 -7.5362 -0.5109 -0.5109 -0.5035 -0.5035 3.7679 3.7679 3.8356 3.8356 4.1065 4.1065 4.1712 4.1712 4.2905 4.2905 4.4030 4.4030 4.5656 4.5656 4.6303 4.6303 4.9353 4.9353 4.9605 4.9605 6.1084 6.1084 6.1268 6.1268 7.1919 7.1919 7.2993 7.2993 8.0881 8.0881 8.1147 8.1147 10.6886 10.6886 10.6997 10.6997 12.4241 12.4241 12.4248 12.4248 13.0165 13.0165 k = 0.2083 0.3608 0.2679 ( 4936 PWs) bands (ev): -25.8197 -25.8197 -25.8187 -25.8187 -8.6864 -8.6864 -8.6855 -8.6855 -7.5840 -7.5840 -7.5825 -7.5825 -7.5350 -7.5350 -7.5339 -7.5339 -0.5266 -0.5266 -0.5197 -0.5197 3.7522 3.7522 3.8182 3.8182 4.1037 4.1037 4.1590 4.1590 4.2753 4.2753 4.3829 4.3829 4.5698 4.5698 4.6286 4.6286 4.9341 4.9341 4.9515 4.9515 6.1791 6.1791 6.2017 6.2017 7.2666 7.2666 7.3725 7.3725 8.0667 8.0667 8.0951 8.0951 10.7191 10.7191 10.7284 10.7284 12.3809 12.3809 12.3812 12.3812 12.9247 12.9247 k = 0.2014 0.3488 0.2679 ( 4936 PWs) bands (ev): -25.8199 -25.8199 -25.8190 -25.8190 -8.6851 -8.6851 -8.6842 -8.6842 -7.5830 -7.5830 -7.5816 -7.5816 -7.5327 -7.5327 -7.5316 -7.5316 -0.5430 -0.5430 -0.5367 -0.5367 3.7369 3.7369 3.8003 3.8003 4.1000 4.1000 4.1464 4.1464 4.2624 4.2624 4.3628 4.3628 4.5742 4.5742 4.6270 4.6270 4.9325 4.9325 4.9437 4.9437 6.2532 6.2532 6.2796 6.2796 7.3398 7.3398 7.4425 7.4425 8.0474 8.0474 8.0788 8.0788 10.7535 10.7535 10.7611 10.7611 12.3384 12.3384 12.3390 12.3390 12.8348 12.8348 k = 0.1944 0.3368 0.2679 ( 4932 PWs) bands (ev): -25.8202 -25.8202 -25.8192 -25.8192 -8.6838 -8.6838 -8.6829 -8.6829 -7.5819 -7.5819 -7.5805 -7.5805 -7.5303 -7.5303 -7.5292 -7.5292 -0.5599 -0.5599 -0.5541 -0.5541 3.7223 3.7223 3.7824 3.7824 4.0953 4.0953 4.1329 4.1329 4.2517 4.2517 4.3434 4.3434 4.5786 4.5786 4.6254 4.6254 4.9306 4.9306 4.9368 4.9368 6.3302 6.3302 6.3600 6.3600 7.4101 7.4101 7.5072 7.5072 8.0317 8.0317 8.0680 8.0680 10.7918 10.7918 10.7976 10.7976 12.2969 12.2969 12.2978 12.2978 12.7474 12.7474 k = 0.1875 0.3248 0.2679 ( 4928 PWs) bands (ev): -25.8204 -25.8204 -25.8195 -25.8195 -8.6824 -8.6824 -8.6815 -8.6815 -7.5807 -7.5807 -7.5794 -7.5794 -7.5279 -7.5279 -7.5268 -7.5268 -0.5773 -0.5773 -0.5721 -0.5721 3.7082 3.7082 3.7646 3.7646 4.0895 4.0895 4.1185 4.1185 4.2435 4.2435 4.3250 4.3250 4.5831 4.5831 4.6241 4.6241 4.9282 4.9282 4.9304 4.9304 6.4097 6.4097 6.4424 6.4424 7.4756 7.4756 7.5639 7.5639 8.0219 8.0219 8.0659 8.0659 10.8338 10.8338 10.8379 10.8379 12.2564 12.2564 12.2575 12.2575 12.6629 12.6629 k = 0.1806 0.3127 0.2679 ( 4928 PWs) bands (ev): -25.8207 -25.8207 -25.8197 -25.8197 -8.6810 -8.6810 -8.6801 -8.6801 -7.5796 -7.5796 -7.5782 -7.5782 -7.5254 -7.5254 -7.5243 -7.5243 -0.5952 -0.5952 -0.5904 -0.5904 3.6948 3.6948 3.7471 3.7471 4.0825 4.0825 4.1033 4.1033 4.2373 4.2373 4.3081 4.3081 4.5876 4.5876 4.6229 4.6229 4.9245 4.9245 4.9254 4.9254 6.4912 6.4912 6.5261 6.5261 7.5338 7.5338 7.6094 7.6094 8.0211 8.0211 8.0760 8.0760 10.8795 10.8795 10.8819 10.8819 12.2166 12.2166 12.2177 12.2177 12.5818 12.5818 k = 0.1736 0.3007 0.2679 ( 4924 PWs) bands (ev): -25.8209 -25.8209 -25.8200 -25.8200 -8.6795 -8.6795 -8.6786 -8.6786 -7.5784 -7.5784 -7.5771 -7.5771 -7.5228 -7.5228 -7.5217 -7.5217 -0.6134 -0.6134 -0.6091 -0.6091 3.6821 3.6821 3.7301 3.7301 4.0742 4.0742 4.0876 4.0876 4.2331 4.2331 4.2930 4.2930 4.5920 4.5920 4.6221 4.6221 4.9188 4.9188 4.9221 4.9221 6.5738 6.5738 6.6102 6.6102 7.5821 7.5821 7.6418 7.6418 8.0325 8.0325 8.1011 8.1011 10.9286 10.9286 10.9294 10.9294 12.1772 12.1772 12.1781 12.1781 12.5051 12.5051 k = 0.1667 0.2887 0.2679 ( 4926 PWs) bands (ev): -25.8212 -25.8212 -25.8202 -25.8202 -8.6780 -8.6780 -8.6771 -8.6771 -7.5772 -7.5772 -7.5759 -7.5759 -7.5201 -7.5201 -7.5190 -7.5190 -0.6318 -0.6318 -0.6280 -0.6280 3.6701 3.6701 3.7136 3.7136 4.0647 4.0647 4.0716 4.0716 4.2303 4.2303 4.2799 4.2799 4.5964 4.5964 4.6215 4.6215 4.9132 4.9132 4.9184 4.9184 6.6566 6.6566 6.6936 6.6936 7.6190 7.6190 7.6614 7.6614 8.0589 8.0589 8.1413 8.1413 10.9801 10.9801 10.9811 10.9811 12.1374 12.1374 12.1383 12.1383 12.4334 12.4334 k = 0.1597 0.2766 0.2679 ( 4918 PWs) bands (ev): -25.8214 -25.8214 -25.8205 -25.8205 -8.6765 -8.6765 -8.6756 -8.6756 -7.5760 -7.5760 -7.5747 -7.5747 -7.5174 -7.5174 -7.5163 -7.5163 -0.6504 -0.6504 -0.6470 -0.6470 3.6587 3.6587 3.6979 3.6979 4.0539 4.0539 4.0556 4.0556 4.2289 4.2289 4.2690 4.2690 4.6008 4.6008 4.6213 4.6213 4.9076 4.9076 4.9143 4.9143 6.7382 6.7382 6.7748 6.7748 7.6455 7.6455 7.6720 7.6720 8.1002 8.1002 8.1942 8.1942 11.0337 11.0337 11.0365 11.0365 12.0965 12.0965 12.0977 12.0977 12.3679 12.3679 k = 0.1528 0.2646 0.2679 ( 4922 PWs) bands (ev): -25.8217 -25.8217 -25.8208 -25.8208 -8.6750 -8.6750 -8.6742 -8.6742 -7.5748 -7.5748 -7.5736 -7.5736 -7.5145 -7.5145 -7.5135 -7.5135 -0.6691 -0.6691 -0.6661 -0.6661 3.6479 3.6479 3.6829 3.6829 4.0397 4.0397 4.0421 4.0421 4.2283 4.2283 4.2602 4.2602 4.6051 4.6051 4.6214 4.6214 4.9019 4.9019 4.9096 4.9096 6.8167 6.8167 6.8517 6.8517 7.6661 7.6661 7.6788 7.6788 8.1542 8.1542 8.2564 8.2564 11.0899 11.0899 11.0944 11.0944 12.0537 12.0537 12.0555 12.0555 12.3098 12.3098 k = 0.1458 0.2526 0.2679 ( 4928 PWs) bands (ev): -25.8220 -25.8220 -25.8211 -25.8211 -8.6736 -8.6736 -8.6727 -8.6727 -7.5737 -7.5737 -7.5726 -7.5726 -7.5116 -7.5116 -7.5106 -7.5106 -0.6877 -0.6877 -0.6851 -0.6851 3.6377 3.6377 3.6687 3.6687 4.0242 4.0242 4.0295 4.0295 4.2286 4.2286 4.2533 4.2533 4.6094 4.6094 4.6219 4.6219 4.8962 4.8962 4.9045 4.9045 6.8898 6.8898 6.9215 6.9215 7.6867 7.6867 7.6871 7.6871 8.2172 8.2172 8.3246 8.3246 11.1478 11.1478 11.1543 11.1543 12.0085 12.0085 12.0115 12.0115 12.2600 12.2600 k = 0.1389 0.2406 0.2679 ( 4920 PWs) bands (ev): -25.8223 -25.8223 -25.8213 -25.8213 -8.6721 -8.6721 -8.6712 -8.6712 -7.5726 -7.5726 -7.5715 -7.5715 -7.5087 -7.5087 -7.5076 -7.5076 -0.7062 -0.7062 -0.7040 -0.7040 3.6281 3.6281 3.6553 3.6553 4.0093 4.0093 4.0164 4.0164 4.2294 4.2294 4.2482 4.2482 4.6136 4.6136 4.6228 4.6228 4.8903 4.8903 4.8991 4.8991 6.9545 6.9545 6.9815 6.9815 7.7022 7.7022 7.7131 7.7131 8.2862 8.2862 8.3965 8.3965 11.2067 11.2067 11.2155 11.2155 11.9611 11.9611 11.9656 11.9656 12.2191 12.2191 k = 0.1319 0.2285 0.2679 ( 4912 PWs) bands (ev): -25.8225 -25.8225 -25.8216 -25.8216 -8.6706 -8.6706 -8.6697 -8.6697 -7.5716 -7.5716 -7.5706 -7.5706 -7.5057 -7.5057 -7.5047 -7.5047 -0.7245 -0.7245 -0.7226 -0.7226 3.6191 3.6191 3.6426 3.6426 3.9950 3.9950 4.0031 4.0031 4.2308 4.2308 4.2447 4.2447 4.6179 4.6179 4.6241 4.6241 4.8843 4.8843 4.8932 4.8932 7.0074 7.0074 7.0287 7.0287 7.7287 7.7287 7.7503 7.7503 8.3589 8.3589 8.4702 8.4702 11.2650 11.2650 11.2766 11.2766 11.9132 11.9132 11.9188 11.9188 12.1867 12.1867 k = 0.1250 0.2165 0.2679 ( 4920 PWs) bands (ev): -25.8228 -25.8228 -25.8219 -25.8219 -8.6692 -8.6692 -8.6683 -8.6683 -7.5707 -7.5707 -7.5697 -7.5697 -7.5026 -7.5026 -7.5016 -7.5016 -0.7425 -0.7425 -0.7409 -0.7409 3.6105 3.6105 3.6307 3.6307 3.9814 3.9814 3.9898 3.9898 4.2325 4.2325 4.2425 4.2425 4.6221 4.6221 4.6259 4.6259 4.8781 4.8781 4.8869 4.8869 7.0463 7.0463 7.0615 7.0615 7.7699 7.7699 7.8012 7.8012 8.4336 8.4336 8.5447 8.5447 11.3202 11.3202 11.3354 11.3354 11.8675 11.8675 11.8732 11.8732 12.1620 12.1620 k = 0.1181 0.2045 0.2679 ( 4918 PWs) bands (ev): -25.8231 -25.8231 -25.8221 -25.8221 -8.6678 -8.6678 -8.6669 -8.6669 -7.5698 -7.5698 -7.5688 -7.5688 -7.4996 -7.4996 -7.4986 -7.4986 -0.7602 -0.7602 -0.7588 -0.7588 3.6023 3.6023 3.6195 3.6195 3.9685 3.9685 3.9768 3.9768 4.2344 4.2344 4.2414 4.2414 4.6264 4.6264 4.6281 4.6281 4.8717 4.8717 4.8804 4.8804 7.0705 7.0705 7.0803 7.0803 7.8270 7.8270 7.8665 7.8665 8.5090 8.5090 8.6189 8.6189 11.3679 11.3679 11.3881 11.3881 11.8287 11.8287 11.8326 11.8326 12.1445 12.1445 k = 0.1111 0.1925 0.2679 ( 4918 PWs) bands (ev): -25.8233 -25.8233 -25.8224 -25.8224 -8.6664 -8.6664 -8.6655 -8.6655 -7.5690 -7.5690 -7.5680 -7.5680 -7.4965 -7.4965 -7.4956 -7.4956 -0.7773 -0.7773 -0.7761 -0.7761 3.5946 3.5946 3.6090 3.6090 3.9565 3.9565 3.9643 3.9643 4.2366 4.2366 4.2412 4.2412 4.6308 4.6308 4.6308 4.6308 4.8651 4.8651 4.8735 4.8735 7.0814 7.0814 7.0871 7.0871 7.8991 7.8991 7.9446 7.9446 8.5843 8.5843 8.6922 8.6922 11.4010 11.4010 11.4275 11.4275 11.8039 11.8039 11.8041 11.8041 12.1336 12.1336 k = 0.1042 0.1804 0.2679 ( 4926 PWs) bands (ev): -25.8236 -25.8236 -25.8226 -25.8226 -8.6651 -8.6651 -8.6642 -8.6642 -7.5682 -7.5682 -7.5673 -7.5673 -7.4935 -7.4935 -7.4925 -7.4925 -0.7939 -0.7939 -0.7929 -0.7929 3.5873 3.5873 3.5991 3.5991 3.9454 3.9454 3.9524 3.9524 4.2389 4.2389 4.2416 4.2416 4.6340 4.6340 4.6353 4.6353 4.8583 4.8583 4.8662 4.8662 7.0817 7.0817 7.0846 7.0846 7.9835 7.9835 8.0333 8.0333 8.6587 8.6587 8.7639 8.7639 11.4111 11.4111 11.4435 11.4435 11.7974 11.7974 11.8012 11.8012 12.1292 12.1292 k = 0.0972 0.1684 0.2679 ( 4922 PWs) bands (ev): -25.8238 -25.8238 -25.8229 -25.8229 -8.6638 -8.6638 -8.6629 -8.6629 -7.5676 -7.5676 -7.5667 -7.5667 -7.4905 -7.4905 -7.4896 -7.4896 -0.8098 -0.8098 -0.8090 -0.8090 3.5803 3.5803 3.5899 3.5899 3.9351 3.9351 3.9413 3.9413 4.2413 4.2413 4.2427 4.2427 4.6377 4.6377 4.6399 4.6399 4.8514 4.8514 4.8588 4.8588 7.0743 7.0743 7.0755 7.0755 8.0776 8.0776 8.1299 8.1299 8.7317 8.7317 8.8336 8.8336 11.3949 11.3949 11.4303 11.4303 11.8176 11.8176 11.8228 11.8228 12.1314 12.1314 k = 0.0903 0.1564 0.2679 ( 4926 PWs) bands (ev): -25.8240 -25.8240 -25.8231 -25.8231 -8.6626 -8.6626 -8.6617 -8.6617 -7.5670 -7.5670 -7.5661 -7.5661 -7.4876 -7.4876 -7.4867 -7.4867 -0.8250 -0.8250 -0.8244 -0.8244 3.5736 3.5736 3.5814 3.5814 3.9258 3.9258 3.9310 3.9310 4.2437 4.2437 4.2442 4.2442 4.6418 4.6418 4.6447 4.6447 4.8443 4.8443 4.8511 4.8511 7.0617 7.0617 7.0619 7.0619 8.1787 8.1787 8.2324 8.2324 8.8028 8.8028 8.9006 8.9006 11.3575 11.3575 11.3928 11.3928 11.8587 11.8587 11.8625 11.8625 12.1409 12.1409 k = 0.0833 0.1443 0.2679 ( 4922 PWs) bands (ev): -25.8242 -25.8242 -25.8233 -25.8233 -8.6615 -8.6615 -8.6606 -8.6606 -7.5665 -7.5665 -7.5656 -7.5656 -7.4848 -7.4848 -7.4839 -7.4839 -0.8394 -0.8394 -0.8389 -0.8389 3.5673 3.5673 3.5734 3.5734 3.9173 3.9173 3.9217 3.9217 4.2461 4.2461 4.2461 4.2461 4.6465 4.6465 4.6497 4.6497 4.8371 4.8371 4.8432 4.8432 7.0454 7.0454 7.0458 7.0458 8.2850 8.2850 8.3389 8.3389 8.8713 8.8713 8.9645 8.9645 11.3060 11.3060 11.3396 11.3396 11.9106 11.9106 11.9109 11.9109 12.1585 12.1586 k = 0.0764 0.1323 0.2679 ( 4922 PWs) bands (ev): -25.8244 -25.8244 -25.8235 -25.8235 -8.6604 -8.6604 -8.6596 -8.6596 -7.5660 -7.5660 -7.5651 -7.5651 -7.4821 -7.4821 -7.4812 -7.4812 -0.8529 -0.8529 -0.8525 -0.8525 3.5614 3.5614 3.5661 3.5661 3.9096 3.9096 3.9132 3.9132 4.2481 4.2481 4.2485 4.2485 4.6516 4.6516 4.6549 4.6549 4.8298 4.8298 4.8351 4.8351 7.0275 7.0275 7.0281 7.0281 8.3946 8.3946 8.4480 8.4480 8.9369 8.9369 9.0249 9.0249 11.2457 11.2457 11.2766 11.2766 11.9611 11.9611 11.9657 11.9657 12.1854 12.1854 k = 0.0694 0.1203 0.2679 ( 4914 PWs) bands (ev): -25.8246 -25.8246 -25.8237 -25.8237 -8.6595 -8.6595 -8.6586 -8.6586 -7.5656 -7.5656 -7.5647 -7.5647 -7.4795 -7.4795 -7.4786 -7.4786 -0.8655 -0.8655 -0.8652 -0.8652 3.5558 3.5558 3.5593 3.5593 3.9029 3.9029 3.9056 3.9056 4.2502 4.2502 4.2508 4.2508 4.6572 4.6572 4.6603 4.6603 4.8223 4.8223 4.8269 4.8269 7.0090 7.0090 7.0097 7.0097 8.5062 8.5062 8.5585 8.5585 8.9991 8.9991 9.0813 9.0813 11.1795 11.1795 11.2073 11.2073 12.0088 12.0088 12.0189 12.0189 12.2216 12.2216 k = 0.0625 0.1083 0.2679 ( 4914 PWs) bands (ev): -25.8248 -25.8248 -25.8239 -25.8239 -8.6586 -8.6586 -8.6577 -8.6577 -7.5652 -7.5652 -7.5643 -7.5643 -7.4772 -7.4772 -7.4762 -7.4762 -0.8770 -0.8770 -0.8768 -0.8768 3.5507 3.5507 3.5532 3.5532 3.8969 3.8969 3.8989 3.8989 4.2523 4.2523 4.2529 4.2529 4.6631 4.6631 4.6660 4.6660 4.8147 4.8147 4.8186 4.8186 6.9907 6.9907 6.9913 6.9913 8.6185 8.6185 8.6690 8.6690 9.0574 9.0574 9.1332 9.1332 11.1092 11.1092 11.1334 11.1334 12.0526 12.0526 12.0678 12.0678 12.2645 12.2645 k = 0.0556 0.0962 0.2679 ( 4914 PWs) bands (ev): -25.8250 -25.8250 -25.8240 -25.8240 -8.6577 -8.6577 -8.6568 -8.6568 -7.5649 -7.5649 -7.5640 -7.5640 -7.4750 -7.4750 -7.4741 -7.4741 -0.8876 -0.8876 -0.8874 -0.8874 3.5459 3.5459 3.5476 3.5476 3.8916 3.8916 3.8931 3.8931 4.2544 4.2544 4.2549 4.2549 4.6694 4.6694 4.6719 4.6719 4.8071 4.8071 4.8103 4.8103 6.9732 6.9732 6.9736 6.9736 8.7303 8.7303 8.7783 8.7783 9.1115 9.1115 9.1803 9.1803 11.0360 11.0360 11.0563 11.0563 12.0934 12.0934 12.1121 12.1121 12.3032 12.3032 k = 0.0486 0.0842 0.2679 ( 4906 PWs) bands (ev): -25.8251 -25.8251 -25.8242 -25.8242 -8.6570 -8.6570 -8.6561 -8.6561 -7.5646 -7.5646 -7.5638 -7.5638 -7.4730 -7.4730 -7.4721 -7.4721 -0.8970 -0.8970 -0.8969 -0.8969 3.5415 3.5415 3.5427 3.5427 3.8871 3.8871 3.8881 3.8881 4.2563 4.2563 4.2568 4.2568 4.6760 4.6760 4.6780 4.6780 4.7995 4.7995 4.8019 4.8019 6.9568 6.9568 6.9571 6.9571 8.8400 8.8400 8.8850 8.8850 9.1609 9.1609 9.2223 9.2223 10.9612 10.9612 10.9775 10.9775 12.1329 12.1329 12.1531 12.1531 12.3424 12.3424 k = 0.0417 0.0722 0.2679 ( 4914 PWs) bands (ev): -25.8252 -25.8252 -25.8243 -25.8243 -8.6564 -8.6564 -8.6555 -8.6555 -7.5644 -7.5644 -7.5635 -7.5635 -7.4712 -7.4712 -7.4703 -7.4703 -0.9052 -0.9052 -0.9051 -0.9051 3.5377 3.5377 3.5384 3.5384 3.8833 3.8833 3.8839 3.8839 4.2581 4.2581 4.2584 4.2584 4.6828 4.6828 4.6843 4.6843 4.7918 4.7918 4.7936 4.7936 6.9420 6.9420 6.9422 6.9422 8.9461 8.9461 8.9873 8.9873 9.2053 9.2053 9.2587 9.2587 10.8862 10.8862 10.8985 10.8985 12.1724 12.1724 12.1924 12.1924 12.3774 12.3774 k = 0.0347 0.0601 0.2679 ( 4918 PWs) bands (ev): -25.8253 -25.8253 -25.8244 -25.8244 -8.6558 -8.6558 -8.6549 -8.6549 -7.5642 -7.5642 -7.5634 -7.5634 -7.4697 -7.4697 -7.4688 -7.4688 -0.9123 -0.9123 -0.9122 -0.9122 3.5343 3.5343 3.5347 3.5347 3.8801 3.8801 3.8804 3.8804 4.2596 4.2596 4.2598 4.2598 4.6896 4.6896 4.6908 4.6908 4.7843 4.7843 4.7855 4.7855 6.9290 6.9290 6.9291 6.9291 9.0464 9.0464 9.0829 9.0829 9.2446 9.2446 9.2895 9.2895 10.8130 10.8130 10.8215 10.8215 12.2127 12.2127 12.2312 12.2312 12.4043 12.4043 k = 0.0278 0.0481 0.2679 ( 4902 PWs) bands (ev): -25.8254 -25.8254 -25.8245 -25.8245 -8.6554 -8.6554 -8.6545 -8.6545 -7.5641 -7.5641 -7.5632 -7.5632 -7.4684 -7.4684 -7.4675 -7.4675 -0.9181 -0.9181 -0.9180 -0.9180 3.5316 3.5316 3.5318 3.5318 3.8776 3.8776 3.8778 3.8778 4.2609 4.2609 4.2610 4.2610 4.6965 4.6965 4.6972 4.6972 4.7770 4.7770 4.7777 4.7777 6.9181 6.9181 6.9181 6.9181 9.1381 9.1381 9.1688 9.1688 9.2785 9.2785 9.3143 9.3143 10.7442 10.7442 10.7493 10.7493 12.2537 12.2537 12.2695 12.2695 12.4210 12.4210 k = 0.0208 0.0361 0.2679 ( 4892 PWs) bands (ev): -25.8255 -25.8255 -25.8246 -25.8246 -8.6550 -8.6550 -8.6541 -8.6541 -7.5640 -7.5640 -7.5631 -7.5631 -7.4674 -7.4674 -7.4665 -7.4665 -0.9226 -0.9226 -0.9226 -0.9226 3.5294 3.5294 3.5295 3.5295 3.8756 3.8756 3.8757 3.8757 4.2619 4.2619 4.2620 4.2620 4.7030 4.7030 4.7034 4.7034 4.7701 4.7701 4.7705 4.7705 6.9094 6.9094 6.9094 6.9094 9.2175 9.2175 9.2407 9.2407 9.3076 9.3076 9.3332 9.3332 10.6832 10.6832 10.6857 10.6857 12.2948 12.2948 12.3069 12.3069 12.4283 12.4283 k = 0.0139 0.0241 0.2679 ( 4880 PWs) bands (ev): -25.8255 -25.8255 -25.8246 -25.8246 -8.6548 -8.6548 -8.6539 -8.6539 -7.5639 -7.5639 -7.5630 -7.5630 -7.4667 -7.4667 -7.4658 -7.4658 -0.9259 -0.9259 -0.9259 -0.9259 3.5278 3.5278 3.5278 3.5278 3.8742 3.8742 3.8743 3.8743 4.2627 4.2627 4.2627 4.2627 4.7087 4.7087 4.7088 4.7088 4.7641 4.7641 4.7643 4.7643 6.9031 6.9031 6.9031 6.9031 9.2796 9.2796 9.2925 9.2925 9.3332 9.3332 9.3469 9.3469 10.6342 10.6342 10.6350 10.6350 12.3344 12.3344 12.3419 12.3419 12.4291 12.4291 k = 0.0069 0.0120 0.2679 ( 4876 PWs) bands (ev): -25.8256 -25.8256 -25.8246 -25.8246 -8.6546 -8.6546 -8.6537 -8.6537 -7.5638 -7.5638 -7.5630 -7.5630 -7.4663 -7.4663 -7.4654 -7.4654 -0.9279 -0.9279 -0.9278 -0.9278 3.5268 3.5268 3.5268 3.5268 3.8734 3.8734 3.8734 3.8734 4.2631 4.2631 4.2632 4.2632 4.7129 4.7129 4.7129 4.7129 4.7598 4.7598 4.7599 4.7599 6.8992 6.8992 6.8993 6.8993 9.3176 9.3176 9.3202 9.3202 9.3545 9.3545 9.3572 9.3572 10.6020 10.6020 10.6021 10.6021 12.3696 12.3696 12.3721 12.3721 12.4248 12.4250 k = 0.0000 0.0000 0.2679 ( 4870 PWs) bands (ev): -25.8256 -25.8256 -25.8247 -25.8247 -8.6546 -8.6546 -8.6537 -8.6537 -7.5638 -7.5638 -7.5630 -7.5630 -7.4661 -7.4661 -7.4652 -7.4652 -0.9285 -0.9285 -0.9285 -0.9285 3.5265 3.5265 3.5265 3.5265 3.8731 3.8731 3.8731 3.8731 4.2633 4.2633 4.2633 4.2633 4.7145 4.7145 4.7145 4.7145 4.7581 4.7581 4.7582 4.7582 6.8980 6.8980 6.8980 6.8980 9.3286 9.3286 9.3287 9.3287 9.3628 9.3628 9.3629 9.3629 10.5907 10.5907 10.5907 10.5907 12.3888 12.3888 12.3892 12.3892 12.4171 12.4171 k = 0.5000 0.2887 0.2679 ( 4904 PWs) bands (ev): -25.8185 -25.8185 -25.8176 -25.8176 -8.6939 -8.6939 -8.6930 -8.6930 -7.6046 -7.6046 -7.6037 -7.6037 -7.5285 -7.5285 -7.5276 -7.5276 -0.4385 -0.4385 -0.4385 -0.4385 3.9894 3.9894 3.9894 3.9894 4.1324 4.1324 4.1324 4.1324 4.3797 4.3797 4.3798 4.3798 4.6580 4.6580 4.6580 4.6580 4.8640 4.8640 4.8640 4.8640 5.4936 5.4936 5.4937 5.4937 7.5587 7.5587 7.5588 7.5588 8.2284 8.2284 8.2284 8.2284 10.3301 10.3301 10.3304 10.3304 11.6541 11.6541 11.6542 11.6542 14.4988 14.4989 k = 0.5000 0.2887 0.2545 ( 4908 PWs) bands (ev): -25.8186 -25.8186 -25.8175 -25.8175 -8.6949 -8.6949 -8.6921 -8.6921 -7.6057 -7.6057 -7.6028 -7.6028 -7.5298 -7.5298 -7.5260 -7.5260 -0.4465 -0.4465 -0.4305 -0.4305 3.9838 3.9838 3.9949 3.9949 4.1282 4.1282 4.1364 4.1364 4.3721 4.3721 4.3878 4.3878 4.6553 4.6553 4.6606 4.6606 4.8546 4.8546 4.8733 4.8733 5.4778 5.4778 5.5104 5.5104 7.5364 7.5364 7.5813 7.5813 8.2203 8.2203 8.2334 8.2334 10.3182 10.3182 10.3406 10.3406 11.6570 11.6570 11.6619 11.6619 14.4652 14.4653 k = 0.5000 0.2887 0.2411 ( 4914 PWs) bands (ev): -25.8189 -25.8189 -25.8172 -25.8172 -8.6961 -8.6961 -8.6910 -8.6910 -7.6073 -7.6073 -7.6019 -7.6019 -7.5312 -7.5312 -7.5238 -7.5238 -0.4544 -0.4544 -0.4225 -0.4225 3.9781 3.9781 4.0004 4.0004 4.1237 4.1237 4.1402 4.1402 4.3647 4.3647 4.3962 4.3962 4.6526 4.6526 4.6631 4.6631 4.8451 4.8451 4.8825 4.8825 5.4629 5.4629 5.5280 5.5280 7.5143 7.5143 7.6038 7.6038 8.2093 8.2093 8.2349 8.2349 10.3054 10.3054 10.3482 10.3482 11.6712 11.6712 11.6793 11.6793 14.4197 14.4198 k = 0.5000 0.2887 0.2277 ( 4914 PWs) bands (ev): -25.8192 -25.8192 -25.8169 -25.8169 -8.6974 -8.6974 -8.6898 -8.6898 -7.6092 -7.6092 -7.6011 -7.6011 -7.5323 -7.5323 -7.5213 -7.5213 -0.4622 -0.4622 -0.4147 -0.4147 3.9724 3.9724 4.0057 4.0057 4.1191 4.1191 4.1437 4.1437 4.3579 4.3579 4.4048 4.4048 4.6499 4.6499 4.6656 4.6656 4.8355 4.8355 4.8914 4.8914 5.4489 5.4489 5.5463 5.5463 7.4927 7.4927 7.6262 7.6262 8.1959 8.1959 8.2328 8.2328 10.2930 10.2930 10.3525 10.3525 11.6971 11.6971 11.7051 11.7051 14.3753 14.3753 k = 0.5000 0.2887 0.2143 ( 4906 PWs) bands (ev): -25.8195 -25.8195 -25.8166 -25.8166 -8.6988 -8.6988 -8.6886 -8.6886 -7.6113 -7.6113 -7.6006 -7.6006 -7.5332 -7.5332 -7.5186 -7.5186 -0.4699 -0.4699 -0.4070 -0.4070 3.9666 3.9666 4.0108 4.0108 4.1144 4.1144 4.1470 4.1470 4.3515 4.3515 4.4136 4.4136 4.6473 4.6473 4.6681 4.6681 4.8261 4.8261 4.9000 4.9000 5.4359 5.4359 5.5653 5.5653 7.4716 7.4716 7.6483 7.6483 8.1805 8.1805 8.2270 8.2270 10.2818 10.2818 10.3531 10.3531 11.7332 11.7332 11.7398 11.7398 14.3322 14.3322 k = 0.5000 0.2887 0.2009 ( 4910 PWs) bands (ev): -25.8198 -25.8198 -25.8163 -25.8163 -8.7001 -8.7001 -8.6875 -8.6875 -7.6135 -7.6135 -7.6003 -7.6003 -7.5338 -7.5338 -7.5158 -7.5158 -0.4775 -0.4775 -0.3995 -0.3995 3.9609 3.9609 4.0158 4.0158 4.1096 4.1096 4.1500 4.1500 4.3455 4.3455 4.4226 4.4226 4.6446 4.6446 4.6705 4.6705 4.8167 4.8167 4.9083 4.9083 5.4238 5.4238 5.5848 5.5848 7.4511 7.4511 7.6700 7.6700 8.1636 8.1636 8.2177 8.2177 10.2725 10.2725 10.3502 10.3502 11.7733 11.7733 11.7879 11.7879 14.2903 14.2903 k = 0.5000 0.2887 0.1875 ( 4914 PWs) bands (ev): -25.8201 -25.8201 -25.8160 -25.8160 -8.7014 -8.7014 -8.6865 -8.6865 -7.6158 -7.6158 -7.6001 -7.6001 -7.5341 -7.5341 -7.5128 -7.5128 -0.4847 -0.4847 -0.3922 -0.3922 3.9551 3.9551 4.0206 4.0206 4.1049 4.1049 4.1527 4.1527 4.3401 4.3401 4.4317 4.4317 4.6419 4.6419 4.6728 4.6728 4.8075 4.8075 4.9162 4.9162 5.4127 5.4127 5.6047 5.6047 7.4314 7.4314 7.6911 7.6911 8.1456 8.1456 8.2049 8.2049 10.2657 10.2657 10.3441 10.3441 11.8160 11.8160 11.8487 11.8487 14.2499 14.2499 k = 0.5000 0.2887 0.1741 ( 4918 PWs) bands (ev): -25.8204 -25.8204 -25.8157 -25.8157 -8.7026 -8.7026 -8.6855 -8.6855 -7.6181 -7.6181 -7.6001 -7.6001 -7.5343 -7.5343 -7.5098 -7.5098 -0.4917 -0.4917 -0.3853 -0.3853 3.9495 3.9495 4.0251 4.0251 4.1003 4.1003 4.1552 4.1552 4.3351 4.3351 4.4407 4.4407 4.6392 4.6392 4.6751 4.6751 4.7986 4.7986 4.9237 4.9237 5.4024 5.4024 5.6249 5.6249 7.4126 7.4126 7.7116 7.7116 8.1269 8.1269 8.1892 8.1892 10.2614 10.2614 10.3354 10.3354 11.8616 11.8616 11.9200 11.9200 14.2107 14.2107 k = 0.5000 0.2887 0.1607 ( 4916 PWs) bands (ev): -25.8207 -25.8207 -25.8154 -25.8154 -8.7038 -8.7038 -8.6846 -8.6846 -7.6205 -7.6205 -7.6002 -7.6002 -7.5344 -7.5344 -7.5068 -7.5068 -0.4984 -0.4984 -0.3786 -0.3786 3.9439 3.9439 4.0295 4.0295 4.0958 4.0958 4.1575 4.1575 4.3306 4.3306 4.4498 4.4498 4.6365 4.6365 4.6772 4.6772 4.7898 4.7898 4.9307 4.9307 5.3931 5.3931 5.6451 5.6451 7.3947 7.3947 7.7311 7.7311 8.1080 8.1080 8.1708 8.1708 10.2595 10.2595 10.3251 10.3251 11.9092 11.9092 12.0006 12.0006 14.1727 14.1727 k = 0.5000 0.2887 0.1473 ( 4926 PWs) bands (ev): -25.8209 -25.8209 -25.8152 -25.8152 -8.7050 -8.7050 -8.6837 -8.6837 -7.6227 -7.6227 -7.6004 -7.6004 -7.5343 -7.5343 -7.5038 -7.5038 -0.5047 -0.5047 -0.3724 -0.3724 3.9384 3.9384 4.0335 4.0335 4.0915 4.0915 4.1595 4.1595 4.3265 4.3265 4.4587 4.4587 4.6338 4.6338 4.6792 4.6792 4.7814 4.7814 4.9373 4.9373 5.3847 5.3847 5.6651 5.6651 7.3780 7.3780 7.7497 7.7497 8.0892 8.0892 8.1505 8.1505 10.2594 10.2594 10.3141 10.3141 11.9576 11.9576 12.0893 12.0893 14.1355 14.1355 k = 0.5000 0.2887 0.1339 ( 4930 PWs) bands (ev): -25.8212 -25.8212 -25.8149 -25.8149 -8.7061 -8.7061 -8.6829 -8.6829 -7.6249 -7.6249 -7.6006 -7.6006 -7.5342 -7.5342 -7.5010 -7.5010 -0.5105 -0.5105 -0.3665 -0.3665 3.9331 3.9331 4.0372 4.0372 4.0875 4.0875 4.1613 4.1613 4.3229 4.3229 4.4675 4.4675 4.6312 4.6312 4.6812 4.6812 4.7733 4.7733 4.9434 4.9434 5.3770 5.3770 5.6847 5.6847 7.3624 7.3624 7.7671 7.7671 8.0709 8.0709 8.1288 8.1288 10.2598 10.2598 10.3042 10.3042 12.0060 12.0060 12.1850 12.1850 14.0985 14.0985 k = 0.5000 0.2887 0.1205 ( 4942 PWs) bands (ev): -25.8214 -25.8214 -25.8147 -25.8147 -8.7072 -8.7072 -8.6822 -8.6822 -7.6270 -7.6270 -7.6009 -7.6009 -7.5339 -7.5339 -7.4982 -7.4982 -0.5160 -0.5160 -0.3611 -0.3611 3.9281 3.9281 4.0406 4.0406 4.0838 4.0838 4.1628 4.1628 4.3197 4.3197 4.4760 4.4760 4.6286 4.6286 4.6830 4.6830 4.7657 4.7657 4.9489 4.9489 5.3702 5.3702 5.7036 5.7036 7.3480 7.3480 7.7832 7.7832 8.0535 8.0535 8.1064 8.1064 10.2582 10.2582 10.2979 10.2979 12.0532 12.0532 12.2866 12.2866 14.0607 14.0607 k = 0.5000 0.2887 0.1071 ( 4934 PWs) bands (ev): -25.8216 -25.8216 -25.8145 -25.8145 -8.7081 -8.7081 -8.6816 -8.6816 -7.6290 -7.6290 -7.6012 -7.6012 -7.5337 -7.5337 -7.4957 -7.4957 -0.5209 -0.5209 -0.3562 -0.3562 3.9234 3.9234 4.0436 4.0436 4.0805 4.0805 4.1642 4.1642 4.3170 4.3170 4.4842 4.4842 4.6260 4.6260 4.6847 4.6847 4.7586 4.7586 4.9539 4.9539 5.3642 5.3642 5.7216 5.7216 7.3349 7.3349 7.7979 7.7979 8.0372 8.0372 8.0840 8.0840 10.2525 10.2525 10.2974 10.2974 12.0984 12.0984 12.3933 12.3933 14.0205 14.0205 k = 0.5000 0.2887 0.0938 ( 4938 PWs) bands (ev): -25.8218 -25.8218 -25.8143 -25.8143 -8.7090 -8.7090 -8.6810 -8.6810 -7.6307 -7.6307 -7.6016 -7.6016 -7.5334 -7.5334 -7.4933 -7.4933 -0.5254 -0.5254 -0.3517 -0.3517 3.9190 3.9190 4.0462 4.0462 4.0777 4.0777 4.1655 4.1655 4.3146 4.3146 4.4919 4.4919 4.6236 4.6236 4.6864 4.6864 4.7519 4.7519 4.9583 4.9583 5.3590 5.3590 5.7383 5.7383 7.3233 7.3233 7.8111 7.8111 8.0223 8.0223 8.0624 8.0624 10.2436 10.2436 10.3017 10.3017 12.1406 12.1406 12.5039 12.5039 13.9758 13.9758 k = 0.5000 0.2887 0.0804 ( 4936 PWs) bands (ev): -25.8220 -25.8220 -25.8141 -25.8141 -8.7097 -8.7097 -8.6805 -8.6805 -7.6323 -7.6323 -7.6019 -7.6019 -7.5331 -7.5331 -7.4912 -7.4912 -0.5293 -0.5293 -0.3478 -0.3478 3.9151 3.9151 4.0484 4.0484 4.0754 4.0754 4.1665 4.1665 4.3126 4.3126 4.4991 4.4991 4.6212 4.6212 4.6879 4.6879 4.7459 4.7459 4.9622 4.9622 5.3545 5.3545 5.7536 5.7536 7.3130 7.3130 7.8226 7.8226 8.0090 8.0090 8.0420 8.0420 10.2339 10.2339 10.3081 10.3081 12.1790 12.1790 12.6174 12.6174 13.9239 13.9239 k = 0.5000 0.2887 0.0670 ( 4932 PWs) bands (ev): -25.8221 -25.8221 -25.8140 -25.8140 -8.7104 -8.7104 -8.6801 -8.6801 -7.6337 -7.6337 -7.6021 -7.6021 -7.5329 -7.5329 -7.4894 -7.4894 -0.5326 -0.5326 -0.3445 -0.3445 3.9117 3.9117 4.0502 4.0502 4.0735 4.0735 4.1674 4.1674 4.3110 4.3110 4.5057 4.5057 4.6189 4.6189 4.6893 4.6893 4.7406 4.7406 4.9655 4.9655 5.3507 5.3507 5.7670 5.7670 7.3043 7.3043 7.8324 7.8324 7.9976 7.9976 8.0237 8.0237 10.2246 10.2246 10.3152 10.3152 12.2129 12.2129 12.7329 12.7329 13.8619 13.8619 k = 0.5000 0.2887 0.0536 ( 4936 PWs) bands (ev): -25.8222 -25.8222 -25.8139 -25.8139 -8.7110 -8.7110 -8.6797 -8.6797 -7.6348 -7.6348 -7.6024 -7.6024 -7.5327 -7.5327 -7.4879 -7.4879 -0.5354 -0.5354 -0.3417 -0.3417 3.9088 3.9088 4.0514 4.0514 4.0721 4.0721 4.1680 4.1680 4.3097 4.3097 4.5113 4.5113 4.6169 4.6169 4.6905 4.6905 4.7359 4.7359 4.9682 4.9682 5.3477 5.3477 5.7784 5.7784 7.2971 7.2971 7.8404 7.8404 7.9882 7.9882 8.0079 8.0079 10.2165 10.2165 10.3220 10.3220 12.2415 12.2415 12.8488 12.8488 13.7887 13.7887 k = 0.5000 0.2887 0.0402 ( 4940 PWs) bands (ev): -25.8223 -25.8223 -25.8138 -25.8138 -8.7114 -8.7114 -8.6795 -8.6795 -7.6357 -7.6357 -7.6026 -7.6026 -7.5325 -7.5325 -7.4867 -7.4867 -0.5376 -0.5376 -0.3396 -0.3396 3.9064 3.9064 4.0523 4.0523 4.0711 4.0711 4.1686 4.1686 4.3087 4.3087 4.5160 4.5160 4.6150 4.6150 4.6916 4.6916 4.7322 4.7322 4.9703 4.9703 5.3453 5.3453 5.7876 5.7876 7.2914 7.2914 7.8466 7.8466 7.9808 7.9808 7.9950 7.9950 10.2099 10.2099 10.3279 10.3279 12.2643 12.2643 12.9631 12.9631 13.7055 13.7055 k = 0.5000 0.2887 0.0268 ( 4944 PWs) bands (ev): -25.8224 -25.8224 -25.8137 -25.8137 -8.7117 -8.7117 -8.6793 -8.6793 -7.6363 -7.6363 -7.6027 -7.6027 -7.5323 -7.5323 -7.4858 -7.4858 -0.5391 -0.5391 -0.3380 -0.3380 3.9047 3.9047 4.0528 4.0528 4.0705 4.0705 4.1689 4.1689 4.3079 4.3079 4.5196 4.5196 4.6136 4.6136 4.6924 4.6924 4.7294 4.7294 4.9718 4.9718 5.3436 5.3436 5.7942 5.7942 7.2873 7.2873 7.8509 7.8509 7.9756 7.9756 7.9856 7.9856 10.2050 10.2050 10.3325 10.3325 12.2809 12.2809 13.0718 13.0718 13.6174 13.6174 k = 0.5000 0.2887 0.0134 ( 4938 PWs) bands (ev): -25.8224 -25.8224 -25.8137 -25.8137 -8.7119 -8.7119 -8.6792 -8.6792 -7.6367 -7.6367 -7.6028 -7.6028 -7.5322 -7.5322 -7.4853 -7.4853 -0.5401 -0.5401 -0.3371 -0.3371 3.9037 3.9037 4.0531 4.0531 4.0702 4.0702 4.1692 4.1692 4.3075 4.3075 4.5218 4.5218 4.6128 4.6128 4.6930 4.6930 4.7277 4.7277 4.9727 4.9727 5.3426 5.3426 5.7983 5.7983 7.2849 7.2849 7.8535 7.8535 7.9725 7.9725 7.9798 7.9798 10.2021 10.2021 10.3353 10.3353 12.2910 12.2910 13.1640 13.1640 13.5369 13.5369 k = 0.5000 0.2887-0.0000 ( 4932 PWs) bands (ev): -25.8225 -25.8225 -25.8137 -25.8137 -8.7119 -8.7119 -8.6791 -8.6791 -7.6368 -7.6368 -7.6028 -7.6028 -7.5322 -7.5322 -7.4851 -7.4851 -0.5404 -0.5404 -0.3368 -0.3368 3.9034 3.9034 4.0532 4.0532 4.0702 4.0702 4.1693 4.1693 4.3074 4.3074 4.5225 4.5225 4.6125 4.6125 4.6932 4.6932 4.7271 4.7271 4.9730 4.9730 5.3423 5.3423 5.7997 5.7997 7.2841 7.2841 7.8544 7.8544 7.9714 7.9714 7.9778 7.9778 10.2011 10.2011 10.3363 10.3363 12.2944 12.2944 13.2064 13.2064 13.4981 13.4981 k = 0.3333 0.5774-0.0000 ( 4941 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7142 -8.7142 -8.6835 -8.6835 -7.6235 -7.6235 -7.6022 -7.6022 -7.5572 -7.5572 -7.5052 -7.5052 -0.3825 -0.3825 -0.3686 -0.3686 3.9686 3.9686 4.0169 4.0169 4.0461 4.0461 4.3823 4.3823 4.4805 4.4805 4.5048 4.5048 4.5765 4.5765 4.5939 4.5939 5.0568 5.0568 5.3484 5.3484 5.5512 5.5512 5.5721 5.5721 5.7590 5.7590 6.8907 6.8907 8.0694 8.0694 8.0812 8.0812 11.3135 11.3135 11.3356 11.3356 12.2470 12.2470 12.2769 12.2769 13.1073 13.1073 k = 0.3333 0.5774 0.0134 ( 4953 PWs) bands (ev): -25.8215 -25.8215 -25.8128 -25.8128 -8.7141 -8.7141 -8.6835 -8.6835 -7.6234 -7.6234 -7.6021 -7.6021 -7.5572 -7.5572 -7.5054 -7.5054 -0.3825 -0.3825 -0.3686 -0.3686 3.9684 3.9684 4.0167 4.0167 4.0463 4.0463 4.3824 4.3824 4.4803 4.4803 4.5052 4.5052 4.5764 4.5764 4.5937 4.5937 5.0566 5.0566 5.3484 5.3484 5.5510 5.5510 5.5718 5.5718 5.7607 5.7607 6.8888 6.8888 8.0707 8.0707 8.0826 8.0826 11.3068 11.3068 11.3288 11.3288 12.2539 12.2539 12.2836 12.2836 13.1091 13.1091 k = 0.3333 0.5774 0.0268 ( 4950 PWs) bands (ev): -25.8215 -25.8215 -25.8129 -25.8129 -8.7139 -8.7139 -8.6836 -8.6836 -7.6229 -7.6229 -7.6019 -7.6019 -7.5574 -7.5574 -7.5060 -7.5060 -0.3824 -0.3824 -0.3686 -0.3686 3.9680 3.9680 4.0161 4.0161 4.0468 4.0468 4.3828 4.3828 4.4799 4.4799 4.5061 4.5061 4.5760 4.5760 4.5933 4.5933 5.0561 5.0561 5.3484 5.3484 5.5503 5.5503 5.5711 5.5711 5.7660 5.7660 6.8832 6.8832 8.0745 8.0745 8.0867 8.0867 11.2873 11.2873 11.3091 11.3091 12.2737 12.2737 12.3030 12.3030 13.1147 13.1147 k = 0.3333 0.5774 0.0402 ( 4956 PWs) bands (ev): -25.8214 -25.8214 -25.8130 -25.8130 -8.7136 -8.7136 -8.6838 -8.6838 -7.6221 -7.6221 -7.6016 -7.6016 -7.5578 -7.5578 -7.5070 -7.5070 -0.3824 -0.3824 -0.3685 -0.3685 3.9673 3.9673 4.0151 4.0151 4.0475 4.0475 4.3834 4.3834 4.4793 4.4793 4.5077 4.5077 4.5753 4.5753 4.5925 4.5925 5.0553 5.0553 5.3485 5.3485 5.5492 5.5492 5.5698 5.5698 5.7746 5.7746 6.8738 6.8738 8.0808 8.0808 8.0934 8.0934 11.2567 11.2567 11.2782 11.2782 12.3049 12.3049 12.3337 12.3337 13.1240 13.1240 k = 0.3333 0.5774 0.0536 ( 4956 PWs) bands (ev): -25.8213 -25.8213 -25.8130 -25.8130 -8.7132 -8.7132 -8.6841 -8.6841 -7.6209 -7.6209 -7.6011 -7.6011 -7.5583 -7.5583 -7.5084 -7.5084 -0.3823 -0.3823 -0.3684 -0.3684 3.9663 3.9663 4.0138 4.0138 4.0485 4.0485 4.3843 4.3843 4.4787 4.4787 4.5096 4.5096 4.5743 4.5743 4.5916 4.5916 5.0543 5.0543 5.3486 5.3486 5.5477 5.5477 5.5681 5.5681 5.7866 5.7866 6.8609 6.8609 8.0895 8.0895 8.1027 8.1027 11.2172 11.2172 11.2385 11.2385 12.3452 12.3452 12.3733 12.3733 13.1369 13.1369 k = 0.3333 0.5774 0.0670 ( 4962 PWs) bands (ev): -25.8212 -25.8212 -25.8132 -25.8132 -8.7127 -8.7127 -8.6844 -8.6844 -7.6195 -7.6195 -7.6005 -7.6005 -7.5589 -7.5589 -7.5102 -7.5102 -0.3822 -0.3822 -0.3683 -0.3683 3.9651 3.9651 4.0122 4.0122 4.0497 4.0497 4.3853 4.3853 4.4782 4.4782 4.5118 4.5118 4.5730 4.5730 4.5906 4.5906 5.0530 5.0530 5.3487 5.3487 5.5459 5.5459 5.5660 5.5660 5.8019 5.8019 6.8445 6.8445 8.1004 8.1004 8.1143 8.1143 11.1710 11.1710 11.1924 11.1924 12.3922 12.3922 12.4200 12.4200 13.1536 13.1536 k = 0.3333 0.5774 0.0804 ( 4974 PWs) bands (ev): -25.8211 -25.8211 -25.8133 -25.8133 -8.7121 -8.7121 -8.6848 -8.6848 -7.6177 -7.6177 -7.5998 -7.5998 -7.5596 -7.5596 -7.5123 -7.5123 -0.3821 -0.3821 -0.3682 -0.3682 3.9637 3.9637 4.0105 4.0105 4.0509 4.0509 4.3865 4.3865 4.4777 4.4777 4.5141 4.5141 4.5714 4.5714 4.5895 4.5895 5.0516 5.0516 5.3489 5.3489 5.5437 5.5437 5.5635 5.5635 5.8203 5.8203 6.8247 6.8247 8.1133 8.1133 8.1280 8.1280 11.1202 11.1202 11.1419 11.1419 12.4442 12.4442 12.4716 12.4716 13.1738 13.1738 k = 0.3333 0.5774 0.0938 ( 4968 PWs) bands (ev): -25.8209 -25.8209 -25.8135 -25.8135 -8.7114 -8.7114 -8.6853 -8.6853 -7.6157 -7.6157 -7.5989 -7.5989 -7.5605 -7.5605 -7.5148 -7.5148 -0.3820 -0.3820 -0.3681 -0.3681 3.9622 3.9622 4.0087 4.0087 4.0522 4.0522 4.3878 4.3878 4.4775 4.4775 4.5166 4.5166 4.5694 4.5694 4.5885 4.5885 5.0501 5.0501 5.3491 5.3491 5.5413 5.5413 5.5607 5.5607 5.8416 5.8416 6.8016 6.8016 8.1279 8.1279 8.1436 8.1436 11.0666 11.0666 11.0888 11.0888 12.4995 12.4995 12.5267 12.5267 13.1976 13.1976 k = 0.3333 0.5774 0.1071 ( 4962 PWs) bands (ev): -25.8207 -25.8207 -25.8137 -25.8137 -8.7106 -8.7106 -8.6858 -8.6858 -7.6134 -7.6134 -7.5979 -7.5979 -7.5615 -7.5615 -7.5176 -7.5176 -0.3819 -0.3819 -0.3679 -0.3679 3.9606 3.9606 4.0069 4.0069 4.0535 4.0535 4.3893 4.3893 4.4776 4.4776 4.5189 4.5189 4.5671 4.5671 4.5875 4.5875 5.0484 5.0484 5.3493 5.3493 5.5388 5.5388 5.5577 5.5577 5.8658 5.8658 6.7756 6.7756 8.1440 8.1440 8.1607 8.1607 11.0116 11.0116 11.0345 11.0345 12.5567 12.5567 12.5839 12.5839 13.2249 13.2249 k = 0.3333 0.5774 0.1205 ( 4956 PWs) bands (ev): -25.8205 -25.8205 -25.8139 -25.8139 -8.7097 -8.7097 -8.6864 -8.6864 -7.6107 -7.6107 -7.5969 -7.5969 -7.5626 -7.5626 -7.5207 -7.5207 -0.3817 -0.3817 -0.3678 -0.3678 3.9589 3.9589 4.0051 4.0051 4.0548 4.0548 4.3908 4.3908 4.4779 4.4779 4.5212 4.5212 4.5646 4.5646 4.5866 4.5866 5.0468 5.0468 5.3496 5.3496 5.5361 5.5361 5.5545 5.5545 5.8927 5.8927 6.7468 6.7468 8.1612 8.1612 8.1791 8.1791 10.9566 10.9566 10.9804 10.9804 12.6150 12.6150 12.6423 12.6423 13.2557 13.2557 k = 0.3333 0.5774 0.1339 ( 4944 PWs) bands (ev): -25.8203 -25.8203 -25.8141 -25.8141 -8.7087 -8.7087 -8.6871 -8.6871 -7.6078 -7.6078 -7.5957 -7.5957 -7.5638 -7.5638 -7.5241 -7.5241 -0.3816 -0.3816 -0.3676 -0.3676 3.9571 3.9571 4.0032 4.0032 4.0561 4.0561 4.3924 4.3924 4.4785 4.4785 4.5231 4.5231 4.5620 4.5620 4.5858 4.5858 5.0451 5.0451 5.3499 5.3499 5.5333 5.5333 5.5512 5.5512 5.9220 5.9220 6.7154 6.7154 8.1790 8.1790 8.1982 8.1982 10.9026 10.9026 10.9275 10.9275 12.6733 12.6733 12.7009 12.7009 13.2898 13.2898 k = 0.3333 0.5774 0.1473 ( 4938 PWs) bands (ev): -25.8200 -25.8200 -25.8143 -25.8143 -8.7077 -8.7077 -8.6878 -8.6878 -7.6047 -7.6047 -7.5944 -7.5944 -7.5651 -7.5651 -7.5278 -7.5278 -0.3814 -0.3814 -0.3674 -0.3674 3.9554 3.9554 4.0015 4.0015 4.0573 4.0573 4.3939 4.3939 4.4794 4.4794 4.5246 4.5246 4.5596 4.5596 4.5850 4.5850 5.0435 5.0435 5.3502 5.3502 5.5306 5.5306 5.5479 5.5479 5.9536 5.9536 6.6816 6.6816 8.1972 8.1972 8.2177 8.2177 10.8505 10.8505 10.8765 10.8765 12.7310 12.7310 12.7589 12.7589 13.3271 13.3271 k = 0.3333 0.5774 0.1607 ( 4941 PWs) bands (ev): -25.8198 -25.8198 -25.8146 -25.8146 -8.7066 -8.7066 -8.6886 -8.6886 -7.6013 -7.6013 -7.5930 -7.5930 -7.5665 -7.5665 -7.5317 -7.5317 -0.3813 -0.3813 -0.3673 -0.3673 3.9537 3.9537 3.9998 3.9998 4.0584 4.0584 4.3954 4.3954 4.4805 4.4805 4.5254 4.5254 4.5575 4.5575 4.5843 4.5843 5.0420 5.0420 5.3506 5.3506 5.5280 5.5280 5.5447 5.5447 5.9874 5.9874 6.6458 6.6458 8.2152 8.2152 8.2370 8.2370 10.8013 10.8013 10.8285 10.8285 12.7873 12.7873 12.8157 12.8157 13.3674 13.3674 k = 0.3333 0.5774 0.1741 ( 4947 PWs) bands (ev): -25.8195 -25.8195 -25.8149 -25.8149 -8.7055 -8.7055 -8.6895 -8.6895 -7.5976 -7.5976 -7.5916 -7.5916 -7.5680 -7.5680 -7.5358 -7.5358 -0.3812 -0.3812 -0.3671 -0.3671 3.9521 3.9521 3.9982 3.9982 4.0594 4.0594 4.3968 4.3968 4.4819 4.4819 4.5254 4.5254 4.5559 4.5559 4.5836 4.5836 5.0406 5.0406 5.3509 5.3509 5.5255 5.5255 5.5417 5.5417 6.0230 6.0230 6.6081 6.6081 8.2327 8.2327 8.2558 8.2558 10.7556 10.7556 10.7841 10.7841 12.8414 12.8414 12.8703 12.8703 13.4107 13.4107 k = 0.3333 0.5774 0.1875 ( 4947 PWs) bands (ev): -25.8192 -25.8192 -25.8152 -25.8152 -8.7043 -8.7043 -8.6904 -8.6904 -7.5938 -7.5938 -7.5900 -7.5900 -7.5695 -7.5695 -7.5401 -7.5401 -0.3810 -0.3810 -0.3670 -0.3670 3.9506 3.9506 3.9968 3.9968 4.0603 4.0603 4.3980 4.3980 4.4836 4.4836 4.5246 4.5246 4.5550 4.5550 4.5829 4.5829 5.0393 5.0393 5.3512 5.3512 5.5232 5.5232 5.5389 5.5389 6.0603 6.0603 6.5689 6.5689 8.2491 8.2491 8.2734 8.2734 10.7143 10.7143 10.7441 10.7441 12.8924 12.8924 12.9219 12.9219 13.4565 13.4565 k = 0.3333 0.5774 0.2009 ( 4950 PWs) bands (ev): -25.8189 -25.8189 -25.8155 -25.8155 -8.7031 -8.7031 -8.6914 -8.6914 -7.5898 -7.5898 -7.5884 -7.5884 -7.5711 -7.5711 -7.5445 -7.5445 -0.3809 -0.3809 -0.3669 -0.3669 3.9493 3.9493 3.9956 3.9956 4.0610 4.0610 4.3992 4.3992 4.4855 4.4855 4.5230 4.5230 4.5547 4.5547 4.5823 4.5823 5.0382 5.0382 5.3515 5.3515 5.5212 5.5212 5.5364 5.5364 6.0990 6.0990 6.5284 6.5284 8.2639 8.2639 8.2895 8.2895 10.6781 10.6781 10.7089 10.7089 12.9392 12.9392 12.9695 12.9695 13.5047 13.5047 k = 0.3333 0.5774 0.2143 ( 4953 PWs) bands (ev): -25.8186 -25.8186 -25.8158 -25.8158 -8.7019 -8.7019 -8.6924 -8.6924 -7.5868 -7.5868 -7.5856 -7.5856 -7.5728 -7.5728 -7.5490 -7.5490 -0.3808 -0.3808 -0.3668 -0.3668 3.9482 3.9482 3.9946 3.9946 4.0617 4.0617 4.4001 4.4001 4.4875 4.4875 4.5209 4.5209 4.5548 4.5548 4.5818 4.5818 5.0373 5.0373 5.3518 5.3518 5.5194 5.5194 5.5342 5.5342 6.1389 6.1389 6.4870 6.4870 8.2768 8.2768 8.3034 8.3034 10.6474 10.6474 10.6794 10.6794 12.9806 12.9806 13.0117 13.0117 13.5547 13.5547 k = 0.3333 0.5774 0.2277 ( 4944 PWs) bands (ev): -25.8183 -25.8183 -25.8161 -25.8161 -8.7007 -8.7007 -8.6935 -8.6935 -7.5851 -7.5851 -7.5813 -7.5813 -7.5744 -7.5744 -7.5536 -7.5536 -0.3808 -0.3808 -0.3667 -0.3667 3.9473 3.9473 3.9938 3.9938 4.0622 4.0622 4.4009 4.4009 4.4896 4.4896 4.5186 4.5186 4.5551 4.5551 4.5813 4.5813 5.0366 5.0366 5.3520 5.3520 5.5181 5.5181 5.5325 5.5325 6.1796 6.1796 6.4450 6.4450 8.2872 8.2872 8.3147 8.3147 10.6230 10.6230 10.6558 10.6558 13.0152 13.0152 13.0471 13.0471 13.6062 13.6062 k = 0.3333 0.5774 0.2411 ( 4938 PWs) bands (ev): -25.8180 -25.8180 -25.8164 -25.8164 -8.6994 -8.6994 -8.6946 -8.6946 -7.5834 -7.5834 -7.5768 -7.5768 -7.5761 -7.5761 -7.5583 -7.5583 -0.3807 -0.3807 -0.3666 -0.3666 3.9467 3.9467 3.9932 3.9932 4.0626 4.0626 4.4015 4.4015 4.4914 4.4914 4.5165 4.5165 4.5555 4.5555 4.5810 4.5810 5.0360 5.0360 5.3522 5.3522 5.5171 5.5171 5.5312 5.5312 6.2204 6.2204 6.4033 6.4033 8.2950 8.2950 8.3231 8.3231 10.6052 10.6052 10.6386 10.6386 13.0415 13.0415 13.0740 13.0740 13.6582 13.6582 k = 0.3333 0.5774 0.2545 ( 4926 PWs) bands (ev): -25.8178 -25.8178 -25.8166 -25.8166 -8.6983 -8.6983 -8.6957 -8.6957 -7.5818 -7.5818 -7.5778 -7.5778 -7.5723 -7.5723 -7.5629 -7.5629 -0.3807 -0.3807 -0.3666 -0.3666 3.9463 3.9463 3.9928 3.9928 4.0629 4.0629 4.4019 4.4019 4.4928 4.4928 4.5150 4.5150 4.5558 4.5558 4.5807 4.5807 5.0357 5.0357 5.3523 5.3523 5.5165 5.5165 5.5304 5.5304 6.2594 6.2594 6.3637 6.3637 8.2998 8.2998 8.3283 8.3283 10.5944 10.5944 10.6282 10.6282 13.0580 13.0580 13.0909 13.0909 13.7097 13.7097 k = 0.3333 0.5774 0.2679 ( 4914 PWs) bands (ev): -25.8176 -25.8176 -25.8167 -25.8167 -8.6974 -8.6974 -8.6965 -8.6965 -7.5807 -7.5807 -7.5789 -7.5789 -7.5682 -7.5682 -7.5670 -7.5670 -0.3807 -0.3807 -0.3666 -0.3666 3.9462 3.9462 3.9927 3.9927 4.0630 4.0630 4.4020 4.4020 4.4933 4.4933 4.5144 4.5144 4.5559 4.5559 4.5807 4.5807 5.0356 5.0356 5.3524 5.3524 5.5162 5.5162 5.5302 5.5302 6.2827 6.2827 6.3403 6.3403 8.3014 8.3014 8.3300 8.3300 10.5908 10.5908 10.6247 10.6247 13.0636 13.0636 13.0967 13.0967 13.7508 13.7508 Writing output data file SrAgP.save init_run : 0.34s CPU 0.45s WALL ( 1 calls) electrons : 208.16s CPU 211.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 208.15s CPU 211.29s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 297 calls) cegterg : 192.26s CPU 194.71s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 89.05s CPU 90.65s WALL ( 7958 calls) s_psi : 9.56s CPU 9.78s WALL ( 7958 calls) g_psi : 0.34s CPU 0.32s WALL ( 7204 calls) cdiaghg : 80.04s CPU 80.90s WALL ( 7501 calls) cegterg:over : 9.21s CPU 9.41s WALL ( 7204 calls) cegterg:upda : 8.48s CPU 8.62s WALL ( 7204 calls) cegterg:last : 3.94s CPU 3.96s WALL ( 1133 calls) cdiaghg:chol : 4.51s CPU 4.64s WALL ( 7501 calls) cdiaghg:inve : 3.27s CPU 3.35s WALL ( 7501 calls) cdiaghg:para : 5.70s CPU 5.66s WALL ( 15002 calls) Called by h_psi: h_psi:vloc : 68.21s CPU 69.64s WALL ( 7958 calls) h_psi:vnl : 20.54s CPU 20.67s WALL ( 7958 calls) add_vuspsi : 11.37s CPU 11.37s WALL ( 7958 calls) General routines calbec : 9.13s CPU 9.28s WALL ( 7958 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.51s CPU 64.63s WALL ( 906804 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.28s WALL ( 594 calls) Parallel routines fft_scatter : 25.66s CPU 26.38s WALL ( 906827 calls) PWSCF : 3m47.12s CPU 4m 1.63s WALL This run was terminated on: 18:28:43 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=