Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:36:35 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: ./TiAlAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 42 12 2706 1760 268 Max 57 43 13 2713 1787 273 Sum 2029 1531 433 97501 63909 9705 bravais-lattice index = 14 lattice parameter (alat) = 8.3290 a.u. unit-cell volume = 661.7681 (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 = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.328967 celldm(2)= 1.000000 celldm(3)= 1.322518 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 1.322518 ) 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 0.756133 ) PseudoPot. # 1 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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 Al 3.00 26.98150 Al( 1.00) Ti 12.00 47.86700 Ti( 1.00) Au 11.00 196.96660 Au( 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= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0031447 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0031447 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0031447 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0031447 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0031447 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0031447 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0031447 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0031447 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031447 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0031447 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0031447 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0031447 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0031447 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0031447 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0031447 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031447 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0031447 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0031447 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0031447 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0031447 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0031447 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0031447 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031447 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0031447 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0031447 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0031447 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0031447 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0031447 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0031447 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0031447 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0031447 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0031447 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0031447 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0031447 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0031447 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0031447 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0031447 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0031447 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0031447 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0031447 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0031447 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0031447 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0031447 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0031447 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0031447 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0031447 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0031447 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031447 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0031447 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0031447 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0031447 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0031447 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0031447 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0031447 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0031447 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0031447 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0031447 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0031447 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0031447 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0031447 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0031447 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0031447 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0031447 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0031447 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0031447 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0031447 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0031447 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0031447 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0031447 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0031447 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0031447 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0031447 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0031447 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031447 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0031447 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0031447 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0031447 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0031447 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0031447 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0031447 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0031447 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031447 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0031447 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0031447 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0031447 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0031447 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0031447 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0031447 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0031447 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031447 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0031447 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0031447 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0031447 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0031447 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0031447 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0031447 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0031447 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0031447 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0031447 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0031447 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0031447 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0031447 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0031447 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0031447 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0031447 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 119) = ( 0.0000000 0.0000000 0.0140025), wk = 0.0031447 k( 120) = ( 0.0000000 0.0000000 0.0280049), wk = 0.0031447 k( 121) = ( 0.0000000 0.0000000 0.0420074), wk = 0.0031447 k( 122) = ( 0.0000000 0.0000000 0.0560099), wk = 0.0031447 k( 123) = ( 0.0000000 0.0000000 0.0700123), wk = 0.0031447 k( 124) = ( 0.0000000 0.0000000 0.0840148), wk = 0.0031447 k( 125) = ( 0.0000000 0.0000000 0.0980173), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.1120197), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.1260222), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.1400247), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.1540271), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.1680296), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.1820320), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.1960345), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.2100370), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.2240394), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.2380419), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.2520444), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.2660468), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.2800493), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.2940518), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.3080542), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.3220567), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.3360592), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.3500616), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.3640641), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.3780666), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.3780666), wk = 0.0031447 k( 147) = ( 0.0119048 0.0068732 0.3780666), wk = 0.0031447 k( 148) = ( 0.0238095 0.0137464 0.3780666), wk = 0.0031447 k( 149) = ( 0.0357143 0.0206197 0.3780666), wk = 0.0031447 k( 150) = ( 0.0476191 0.0274929 0.3780666), wk = 0.0031447 k( 151) = ( 0.0595238 0.0343661 0.3780666), wk = 0.0031447 k( 152) = ( 0.0714286 0.0412393 0.3780666), wk = 0.0031447 k( 153) = ( 0.0833333 0.0481125 0.3780666), wk = 0.0031447 k( 154) = ( 0.0952381 0.0549857 0.3780666), wk = 0.0031447 k( 155) = ( 0.1071429 0.0618590 0.3780666), wk = 0.0031447 k( 156) = ( 0.1190476 0.0687322 0.3780666), wk = 0.0031447 k( 157) = ( 0.1309524 0.0756054 0.3780666), wk = 0.0031447 k( 158) = ( 0.1428571 0.0824786 0.3780666), wk = 0.0031447 k( 159) = ( 0.1547619 0.0893518 0.3780666), wk = 0.0031447 k( 160) = ( 0.1666667 0.0962250 0.3780666), wk = 0.0031447 k( 161) = ( 0.1785714 0.1030983 0.3780666), wk = 0.0031447 k( 162) = ( 0.1904762 0.1099715 0.3780666), wk = 0.0031447 k( 163) = ( 0.2023810 0.1168447 0.3780666), wk = 0.0031447 k( 164) = ( 0.2142857 0.1237179 0.3780666), wk = 0.0031447 k( 165) = ( 0.2261905 0.1305911 0.3780666), wk = 0.0031447 k( 166) = ( 0.2380952 0.1374644 0.3780666), wk = 0.0031447 k( 167) = ( 0.2500000 0.1443376 0.3780666), wk = 0.0031447 k( 168) = ( 0.2619048 0.1512108 0.3780666), wk = 0.0031447 k( 169) = ( 0.2738095 0.1580840 0.3780666), wk = 0.0031447 k( 170) = ( 0.2857143 0.1649572 0.3780666), wk = 0.0031447 k( 171) = ( 0.2976190 0.1718304 0.3780666), wk = 0.0031447 k( 172) = ( 0.3095238 0.1787037 0.3780666), wk = 0.0031447 k( 173) = ( 0.3214286 0.1855769 0.3780666), wk = 0.0031447 k( 174) = ( 0.3333333 0.1924501 0.3780666), wk = 0.0031447 k( 175) = ( 0.3452381 0.1993233 0.3780666), wk = 0.0031447 k( 176) = ( 0.3571429 0.2061965 0.3780666), wk = 0.0031447 k( 177) = ( 0.3690476 0.2130697 0.3780666), wk = 0.0031447 k( 178) = ( 0.3809524 0.2199430 0.3780666), wk = 0.0031447 k( 179) = ( 0.3928571 0.2268162 0.3780666), wk = 0.0031447 k( 180) = ( 0.4047619 0.2336894 0.3780666), wk = 0.0031447 k( 181) = ( 0.4166667 0.2405626 0.3780666), wk = 0.0031447 k( 182) = ( 0.4285714 0.2474358 0.3780666), wk = 0.0031447 k( 183) = ( 0.4404762 0.2543090 0.3780666), wk = 0.0031447 k( 184) = ( 0.4523810 0.2611823 0.3780666), wk = 0.0031447 k( 185) = ( 0.4642857 0.2680555 0.3780666), wk = 0.0031447 k( 186) = ( 0.4761905 0.2749287 0.3780666), wk = 0.0031447 k( 187) = ( 0.4880952 0.2818019 0.3780666), wk = 0.0031447 k( 188) = ( 0.5000000 0.2886751 0.3780666), wk = 0.0031447 k( 189) = ( 0.5000000 0.2886751 0.3780666), wk = 0.0031447 k( 190) = ( 0.4930556 0.3007033 0.3780666), wk = 0.0031447 k( 191) = ( 0.4861111 0.3127314 0.3780666), wk = 0.0031447 k( 192) = ( 0.4791667 0.3247595 0.3780666), wk = 0.0031447 k( 193) = ( 0.4722222 0.3367877 0.3780666), wk = 0.0031447 k( 194) = ( 0.4652778 0.3488158 0.3780666), wk = 0.0031447 k( 195) = ( 0.4583333 0.3608439 0.3780666), wk = 0.0031447 k( 196) = ( 0.4513889 0.3728720 0.3780666), wk = 0.0031447 k( 197) = ( 0.4444444 0.3849002 0.3780666), wk = 0.0031447 k( 198) = ( 0.4375000 0.3969283 0.3780666), wk = 0.0031447 k( 199) = ( 0.4305556 0.4089564 0.3780666), wk = 0.0031447 k( 200) = ( 0.4236111 0.4209846 0.3780666), wk = 0.0031447 k( 201) = ( 0.4166667 0.4330127 0.3780666), wk = 0.0031447 k( 202) = ( 0.4097222 0.4450408 0.3780666), wk = 0.0031447 k( 203) = ( 0.4027778 0.4570690 0.3780666), wk = 0.0031447 k( 204) = ( 0.3958333 0.4690971 0.3780666), wk = 0.0031447 k( 205) = ( 0.3888889 0.4811252 0.3780666), wk = 0.0031447 k( 206) = ( 0.3819444 0.4931534 0.3780666), wk = 0.0031447 k( 207) = ( 0.3750000 0.5051815 0.3780666), wk = 0.0031447 k( 208) = ( 0.3680556 0.5172096 0.3780666), wk = 0.0031447 k( 209) = ( 0.3611111 0.5292377 0.3780666), wk = 0.0031447 k( 210) = ( 0.3541667 0.5412659 0.3780666), wk = 0.0031447 k( 211) = ( 0.3472222 0.5532940 0.3780666), wk = 0.0031447 k( 212) = ( 0.3402778 0.5653221 0.3780666), wk = 0.0031447 k( 213) = ( 0.3333333 0.5773503 0.3780666), wk = 0.0031447 k( 214) = ( 0.3333333 0.5773503 0.3780666), wk = 0.0031447 k( 215) = ( 0.3263889 0.5653221 0.3780666), wk = 0.0031447 k( 216) = ( 0.3194444 0.5532940 0.3780666), wk = 0.0031447 k( 217) = ( 0.3125000 0.5412659 0.3780666), wk = 0.0031447 k( 218) = ( 0.3055556 0.5292378 0.3780666), wk = 0.0031447 k( 219) = ( 0.2986111 0.5172096 0.3780666), wk = 0.0031447 k( 220) = ( 0.2916667 0.5051815 0.3780666), wk = 0.0031447 k( 221) = ( 0.2847222 0.4931534 0.3780666), wk = 0.0031447 k( 222) = ( 0.2777778 0.4811252 0.3780666), wk = 0.0031447 k( 223) = ( 0.2708333 0.4690971 0.3780666), wk = 0.0031447 k( 224) = ( 0.2638889 0.4570690 0.3780666), wk = 0.0031447 k( 225) = ( 0.2569444 0.4450408 0.3780666), wk = 0.0031447 k( 226) = ( 0.2500000 0.4330127 0.3780666), wk = 0.0031447 k( 227) = ( 0.2430556 0.4209846 0.3780666), wk = 0.0031447 k( 228) = ( 0.2361111 0.4089564 0.3780666), wk = 0.0031447 k( 229) = ( 0.2291667 0.3969283 0.3780666), wk = 0.0031447 k( 230) = ( 0.2222222 0.3849002 0.3780666), wk = 0.0031447 k( 231) = ( 0.2152778 0.3728721 0.3780666), wk = 0.0031447 k( 232) = ( 0.2083333 0.3608439 0.3780666), wk = 0.0031447 k( 233) = ( 0.2013889 0.3488158 0.3780666), wk = 0.0031447 k( 234) = ( 0.1944444 0.3367876 0.3780666), wk = 0.0031447 k( 235) = ( 0.1875000 0.3247595 0.3780666), wk = 0.0031447 k( 236) = ( 0.1805556 0.3127314 0.3780666), wk = 0.0031447 k( 237) = ( 0.1736111 0.3007033 0.3780666), wk = 0.0031447 k( 238) = ( 0.1666667 0.2886751 0.3780666), wk = 0.0031447 k( 239) = ( 0.1597222 0.2766470 0.3780666), wk = 0.0031447 k( 240) = ( 0.1527778 0.2646189 0.3780666), wk = 0.0031447 k( 241) = ( 0.1458333 0.2525907 0.3780666), wk = 0.0031447 k( 242) = ( 0.1388889 0.2405626 0.3780666), wk = 0.0031447 k( 243) = ( 0.1319444 0.2285345 0.3780666), wk = 0.0031447 k( 244) = ( 0.1250000 0.2165064 0.3780666), wk = 0.0031447 k( 245) = ( 0.1180556 0.2044782 0.3780666), wk = 0.0031447 k( 246) = ( 0.1111111 0.1924501 0.3780666), wk = 0.0031447 k( 247) = ( 0.1041667 0.1804220 0.3780666), wk = 0.0031447 k( 248) = ( 0.0972222 0.1683938 0.3780666), wk = 0.0031447 k( 249) = ( 0.0902778 0.1563657 0.3780666), wk = 0.0031447 k( 250) = ( 0.0833333 0.1443376 0.3780666), wk = 0.0031447 k( 251) = ( 0.0763889 0.1323094 0.3780666), wk = 0.0031447 k( 252) = ( 0.0694444 0.1202813 0.3780666), wk = 0.0031447 k( 253) = ( 0.0625000 0.1082532 0.3780666), wk = 0.0031447 k( 254) = ( 0.0555556 0.0962251 0.3780666), wk = 0.0031447 k( 255) = ( 0.0486111 0.0841969 0.3780666), wk = 0.0031447 k( 256) = ( 0.0416667 0.0721688 0.3780666), wk = 0.0031447 k( 257) = ( 0.0347222 0.0601406 0.3780666), wk = 0.0031447 k( 258) = ( 0.0277778 0.0481125 0.3780666), wk = 0.0031447 k( 259) = ( 0.0208333 0.0360844 0.3780666), wk = 0.0031447 k( 260) = ( 0.0138889 0.0240563 0.3780666), wk = 0.0031447 k( 261) = ( 0.0069444 0.0120281 0.3780666), wk = 0.0031447 k( 262) = ( 0.0000000 0.0000000 0.3780666), wk = 0.0031447 k( 263) = ( 0.5000000 0.2886751 0.3780666), wk = 0.0031447 k( 264) = ( 0.5000000 0.2886751 0.3640641), wk = 0.0031447 k( 265) = ( 0.5000000 0.2886751 0.3500616), wk = 0.0031447 k( 266) = ( 0.5000000 0.2886751 0.3360592), wk = 0.0031447 k( 267) = ( 0.5000000 0.2886751 0.3220567), wk = 0.0031447 k( 268) = ( 0.5000000 0.2886751 0.3080542), wk = 0.0031447 k( 269) = ( 0.5000000 0.2886751 0.2940518), wk = 0.0031447 k( 270) = ( 0.5000000 0.2886751 0.2800493), wk = 0.0031447 k( 271) = ( 0.5000000 0.2886751 0.2660468), wk = 0.0031447 k( 272) = ( 0.5000000 0.2886751 0.2520444), wk = 0.0031447 k( 273) = ( 0.5000000 0.2886751 0.2380419), wk = 0.0031447 k( 274) = ( 0.5000000 0.2886751 0.2240394), wk = 0.0031447 k( 275) = ( 0.5000000 0.2886751 0.2100370), wk = 0.0031447 k( 276) = ( 0.5000000 0.2886751 0.1960345), wk = 0.0031447 k( 277) = ( 0.5000000 0.2886751 0.1820320), wk = 0.0031447 k( 278) = ( 0.5000000 0.2886751 0.1680296), wk = 0.0031447 k( 279) = ( 0.5000000 0.2886751 0.1540271), wk = 0.0031447 k( 280) = ( 0.5000000 0.2886751 0.1400247), wk = 0.0031447 k( 281) = ( 0.5000000 0.2886751 0.1260222), wk = 0.0031447 k( 282) = ( 0.5000000 0.2886751 0.1120197), wk = 0.0031447 k( 283) = ( 0.5000000 0.2886751 0.0980173), wk = 0.0031447 k( 284) = ( 0.5000000 0.2886751 0.0840148), wk = 0.0031447 k( 285) = ( 0.5000000 0.2886751 0.0700123), wk = 0.0031447 k( 286) = ( 0.5000000 0.2886751 0.0560099), wk = 0.0031447 k( 287) = ( 0.5000000 0.2886751 0.0420074), wk = 0.0031447 k( 288) = ( 0.5000000 0.2886751 0.0280049), wk = 0.0031447 k( 289) = ( 0.5000000 0.2886751 0.0140025), wk = 0.0031447 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 292) = ( 0.3333333 0.5773503 0.0140025), wk = 0.0031447 k( 293) = ( 0.3333333 0.5773503 0.0280049), wk = 0.0031447 k( 294) = ( 0.3333333 0.5773503 0.0420074), wk = 0.0031447 k( 295) = ( 0.3333333 0.5773503 0.0560099), wk = 0.0031447 k( 296) = ( 0.3333333 0.5773503 0.0700123), wk = 0.0031447 k( 297) = ( 0.3333333 0.5773503 0.0840148), wk = 0.0031447 k( 298) = ( 0.3333333 0.5773503 0.0980173), wk = 0.0031447 k( 299) = ( 0.3333333 0.5773503 0.1120197), wk = 0.0031447 k( 300) = ( 0.3333333 0.5773503 0.1260222), wk = 0.0031447 k( 301) = ( 0.3333333 0.5773503 0.1400247), wk = 0.0031447 k( 302) = ( 0.3333333 0.5773503 0.1540271), wk = 0.0031447 k( 303) = ( 0.3333333 0.5773503 0.1680296), wk = 0.0031447 k( 304) = ( 0.3333333 0.5773503 0.1820320), wk = 0.0031447 k( 305) = ( 0.3333333 0.5773503 0.1960345), wk = 0.0031447 k( 306) = ( 0.3333333 0.5773503 0.2100370), wk = 0.0031447 k( 307) = ( 0.3333333 0.5773503 0.2240394), wk = 0.0031447 k( 308) = ( 0.3333333 0.5773503 0.2380419), wk = 0.0031447 k( 309) = ( 0.3333333 0.5773503 0.2520444), wk = 0.0031447 k( 310) = ( 0.3333333 0.5773503 0.2660468), wk = 0.0031447 k( 311) = ( 0.3333333 0.5773503 0.2800493), wk = 0.0031447 k( 312) = ( 0.3333333 0.5773503 0.2940518), wk = 0.0031447 k( 313) = ( 0.3333333 0.5773503 0.3080542), wk = 0.0031447 k( 314) = ( 0.3333333 0.5773503 0.3220567), wk = 0.0031447 k( 315) = ( 0.3333333 0.5773503 0.3360592), wk = 0.0031447 k( 316) = ( 0.3333333 0.5773503 0.3500616), wk = 0.0031447 k( 317) = ( 0.3333333 0.5773503 0.3640641), wk = 0.0031447 k( 318) = ( 0.3333333 0.5773503 0.3780666), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0031447 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0031447 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0031447 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0031447 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0031447 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0031447 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0031447 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0031447 k( 13) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0031447 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0031447 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0031447 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0031447 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0031447 k( 18) = ( 0.2023810 -0.0000000 0.0000000), wk = 0.0031447 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0031447 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0031447 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0031447 k( 22) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031447 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0031447 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0031447 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0031447 k( 26) = ( 0.2976190 -0.0000000 0.0000000), wk = 0.0031447 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0031447 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0031447 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0031447 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0031447 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0031447 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0031447 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0031447 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0031447 k( 35) = ( 0.4047619 -0.0000000 0.0000000), wk = 0.0031447 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0031447 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0031447 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0031447 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0031447 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0031447 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0031447 k( 42) = ( 0.4880952 -0.0000000 0.0000000), wk = 0.0031447 k( 43) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031447 k( 44) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031447 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0031447 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0031447 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0031447 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0031447 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0031447 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0031447 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0031447 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0031447 k( 53) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0031447 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0031447 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0031447 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031447 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0031447 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0031447 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0031447 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0031447 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0031447 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0031447 k( 63) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0031447 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0031447 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0031447 k( 67) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0031447 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0031447 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0031447 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0031447 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0031447 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0031447 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0031447 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0031447 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0031447 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0031447 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0031447 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0031447 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031447 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0031447 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0031447 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0031447 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0031447 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0031447 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0031447 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0031447 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0031447 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0031447 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0031447 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0031447 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031447 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0031447 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0031447 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0031447 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0031447 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0031447 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0031447 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0031447 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0031447 k( 102) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0031447 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0031447 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0031447 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0031447 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0031447 k( 107) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0031447 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0031447 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0031447 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0031447 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0031447 k( 112) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0031447 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0031447 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0031447 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0031447 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0031447 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 119) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0031447 k( 120) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0031447 k( 121) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031447 k( 122) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0031447 k( 123) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0031447 k( 124) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031447 k( 125) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 147) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0031447 k( 148) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0031447 k( 149) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0031447 k( 150) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0031447 k( 151) = ( 0.0595238 -0.0000000 0.5000000), wk = 0.0031447 k( 152) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0031447 k( 153) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0031447 k( 154) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0031447 k( 155) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0031447 k( 156) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0031447 k( 157) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0031447 k( 158) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0031447 k( 159) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0031447 k( 160) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0031447 k( 161) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0031447 k( 162) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0031447 k( 163) = ( 0.2023810 -0.0000000 0.5000000), wk = 0.0031447 k( 164) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0031447 k( 165) = ( 0.2261905 -0.0000000 0.5000000), wk = 0.0031447 k( 166) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0031447 k( 167) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031447 k( 168) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0031447 k( 169) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0031447 k( 170) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0031447 k( 171) = ( 0.2976190 -0.0000000 0.5000000), wk = 0.0031447 k( 172) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0031447 k( 173) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0031447 k( 174) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0031447 k( 175) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0031447 k( 176) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0031447 k( 177) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0031447 k( 178) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0031447 k( 179) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0031447 k( 180) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0031447 k( 181) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0031447 k( 182) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0031447 k( 183) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0031447 k( 184) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0031447 k( 185) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0031447 k( 186) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0031447 k( 187) = ( 0.4880952 -0.0000000 0.5000000), wk = 0.0031447 k( 188) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 k( 189) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 k( 190) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0031447 k( 191) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0031447 k( 192) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0031447 k( 193) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0031447 k( 194) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0031447 k( 195) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0031447 k( 196) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0031447 k( 197) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0031447 k( 198) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0031447 k( 199) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0031447 k( 200) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0031447 k( 201) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031447 k( 202) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0031447 k( 203) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0031447 k( 204) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0031447 k( 205) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0031447 k( 206) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0031447 k( 207) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0031447 k( 208) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0031447 k( 209) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0031447 k( 210) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0031447 k( 211) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0031447 k( 212) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0031447 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 k( 215) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0031447 k( 216) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0031447 k( 217) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0031447 k( 218) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0031447 k( 219) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0031447 k( 220) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0031447 k( 221) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0031447 k( 222) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0031447 k( 223) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0031447 k( 224) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0031447 k( 225) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0031447 k( 226) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031447 k( 227) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0031447 k( 228) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0031447 k( 229) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0031447 k( 230) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031447 k( 231) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0031447 k( 232) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0031447 k( 233) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0031447 k( 234) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0031447 k( 235) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0031447 k( 236) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0031447 k( 237) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0031447 k( 238) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031447 k( 239) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0031447 k( 240) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0031447 k( 241) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0031447 k( 242) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0031447 k( 243) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0031447 k( 244) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0031447 k( 245) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0031447 k( 246) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031447 k( 247) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0031447 k( 248) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0031447 k( 249) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0031447 k( 250) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0031447 k( 251) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0031447 k( 252) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0031447 k( 253) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0031447 k( 254) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0031447 k( 255) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0031447 k( 256) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0031447 k( 257) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0031447 k( 258) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0031447 k( 259) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0031447 k( 260) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0031447 k( 261) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0031447 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 263) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031447 k( 264) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0031447 k( 265) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0031447 k( 266) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0031447 k( 267) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0031447 k( 268) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0031447 k( 269) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0031447 k( 270) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0031447 k( 271) = ( 0.5000000 -0.0000000 0.3518518), wk = 0.0031447 k( 272) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0031447 k( 273) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0031447 k( 274) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0031447 k( 275) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0031447 k( 276) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0031447 k( 277) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0031447 k( 278) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0031447 k( 279) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0031447 k( 280) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0031447 k( 281) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0031447 k( 282) = ( 0.5000000 -0.0000000 0.1481481), wk = 0.0031447 k( 283) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0031447 k( 284) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0031447 k( 285) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0031447 k( 286) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0031447 k( 287) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0031447 k( 288) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0031447 k( 289) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0031447 k( 290) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031447 k( 291) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 292) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0031447 k( 293) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0031447 k( 294) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0031447 k( 295) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0031447 k( 296) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0031447 k( 297) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0031447 k( 298) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0031447 k( 299) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0031447 k( 300) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031447 k( 301) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0031447 k( 302) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0031447 k( 303) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0031447 k( 304) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0031447 k( 305) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0031447 k( 306) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0031447 k( 307) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0031447 k( 308) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0031447 k( 309) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031447 k( 310) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0031447 k( 311) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0031447 k( 312) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0031447 k( 313) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0031447 k( 314) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0031447 k( 315) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0031447 k( 316) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0031447 k( 317) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0031447 k( 318) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 Dense grid: 97501 G-vectors FFT dimensions: ( 60, 60, 75) Smooth grid: 63909 G-vectors FFT dimensions: ( 48, 48, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 464, 62) NL pseudopotentials 0.72 Mb ( 232, 204) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 2708) G-vector shells 0.01 Mb ( 1338) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.76 Mb ( 464, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./TiAlAu.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 10 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.1 secs Computing kpt #: 12 total cpu time spent up to now is 18.5 secs Computing kpt #: 13 total cpu time spent up to now is 19.9 secs Computing kpt #: 14 total cpu time spent up to now is 21.3 secs Computing kpt #: 15 total cpu time spent up to now is 22.6 secs Computing kpt #: 16 total cpu time spent up to now is 24.0 secs Computing kpt #: 17 total cpu time spent up to now is 25.5 secs Computing kpt #: 18 total cpu time spent up to now is 27.1 secs Computing kpt #: 19 total cpu time spent up to now is 28.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.3 secs Computing kpt #: 21 total cpu time spent up to now is 31.9 secs Computing kpt #: 22 total cpu time spent up to now is 33.5 secs Computing kpt #: 23 total cpu time spent up to now is 35.3 secs Computing kpt #: 24 total cpu time spent up to now is 36.9 secs Computing kpt #: 25 total cpu time spent up to now is 38.4 secs Computing kpt #: 26 total cpu time spent up to now is 39.8 secs Computing kpt #: 27 total cpu time spent up to now is 41.3 secs Computing kpt #: 28 total cpu time spent up to now is 42.9 secs Computing kpt #: 29 total cpu time spent up to now is 44.3 secs Computing kpt #: 30 total cpu time spent up to now is 45.8 secs Computing kpt #: 31 total cpu time spent up to now is 47.2 secs Computing kpt #: 32 total cpu time spent up to now is 48.6 secs Computing kpt #: 33 total cpu time spent up to now is 50.1 secs Computing kpt #: 34 total cpu time spent up to now is 51.6 secs Computing kpt #: 35 total cpu time spent up to now is 53.7 secs Computing kpt #: 36 total cpu time spent up to now is 55.3 secs Computing kpt #: 37 total cpu time spent up to now is 56.8 secs Computing kpt #: 38 total cpu time spent up to now is 58.3 secs Computing kpt #: 39 total cpu time spent up to now is 59.8 secs Computing kpt #: 40 total cpu time spent up to now is 61.1 secs Computing kpt #: 41 total cpu time spent up to now is 62.5 secs Computing kpt #: 42 total cpu time spent up to now is 64.0 secs Computing kpt #: 43 total cpu time spent up to now is 65.7 secs Computing kpt #: 44 total cpu time spent up to now is 67.1 secs Computing kpt #: 45 total cpu time spent up to now is 68.6 secs Computing kpt #: 46 total cpu time spent up to now is 70.0 secs Computing kpt #: 47 total cpu time spent up to now is 71.5 secs Computing kpt #: 48 total cpu time spent up to now is 72.9 secs Computing kpt #: 49 total cpu time spent up to now is 74.4 secs Computing kpt #: 50 total cpu time spent up to now is 76.0 secs Computing kpt #: 51 total cpu time spent up to now is 77.6 secs Computing kpt #: 52 total cpu time spent up to now is 79.1 secs Computing kpt #: 53 total cpu time spent up to now is 80.7 secs Computing kpt #: 54 total cpu time spent up to now is 82.3 secs Computing kpt #: 55 total cpu time spent up to now is 83.8 secs Computing kpt #: 56 total cpu time spent up to now is 85.4 secs Computing kpt #: 57 total cpu time spent up to now is 87.0 secs Computing kpt #: 58 total cpu time spent up to now is 88.6 secs Computing kpt #: 59 total cpu time spent up to now is 90.1 secs Computing kpt #: 60 total cpu time spent up to now is 91.7 secs Computing kpt #: 61 total cpu time spent up to now is 93.3 secs Computing kpt #: 62 total cpu time spent up to now is 94.9 secs Computing kpt #: 63 total cpu time spent up to now is 96.4 secs Computing kpt #: 64 total cpu time spent up to now is 98.0 secs Computing kpt #: 65 total cpu time spent up to now is 99.6 secs Computing kpt #: 66 total cpu time spent up to now is 101.1 secs Computing kpt #: 67 total cpu time spent up to now is 102.4 secs Computing kpt #: 68 total cpu time spent up to now is 103.8 secs Computing kpt #: 69 total cpu time spent up to now is 105.0 secs Computing kpt #: 70 total cpu time spent up to now is 106.3 secs Computing kpt #: 71 total cpu time spent up to now is 107.8 secs Computing kpt #: 72 total cpu time spent up to now is 109.3 secs Computing kpt #: 73 total cpu time spent up to now is 110.9 secs Computing kpt #: 74 total cpu time spent up to now is 112.5 secs Computing kpt #: 75 total cpu time spent up to now is 114.0 secs Computing kpt #: 76 total cpu time spent up to now is 115.6 secs Computing kpt #: 77 total cpu time spent up to now is 117.2 secs Computing kpt #: 78 total cpu time spent up to now is 118.8 secs Computing kpt #: 79 total cpu time spent up to now is 120.3 secs Computing kpt #: 80 total cpu time spent up to now is 121.8 secs Computing kpt #: 81 total cpu time spent up to now is 123.4 secs Computing kpt #: 82 total cpu time spent up to now is 124.9 secs Computing kpt #: 83 total cpu time spent up to now is 126.3 secs Computing kpt #: 84 total cpu time spent up to now is 127.8 secs Computing kpt #: 85 total cpu time spent up to now is 129.2 secs Computing kpt #: 86 total cpu time spent up to now is 130.6 secs Computing kpt #: 87 total cpu time spent up to now is 132.1 secs Computing kpt #: 88 total cpu time spent up to now is 133.6 secs Computing kpt #: 89 total cpu time spent up to now is 135.1 secs Computing kpt #: 90 total cpu time spent up to now is 136.6 secs Computing kpt #: 91 total cpu time spent up to now is 138.0 secs Computing kpt #: 92 total cpu time spent up to now is 139.5 secs Computing kpt #: 93 total cpu time spent up to now is 140.9 secs Computing kpt #: 94 total cpu time spent up to now is 142.4 secs Computing kpt #: 95 total cpu time spent up to now is 143.9 secs Computing kpt #: 96 total cpu time spent up to now is 145.4 secs Computing kpt #: 97 total cpu time spent up to now is 147.0 secs Computing kpt #: 98 total cpu time spent up to now is 148.5 secs Computing kpt #: 99 total cpu time spent up to now is 150.0 secs Computing kpt #: 100 total cpu time spent up to now is 151.6 secs Computing kpt #: 101 total cpu time spent up to now is 153.2 secs Computing kpt #: 102 total cpu time spent up to now is 154.8 secs Computing kpt #: 103 total cpu time spent up to now is 156.2 secs Computing kpt #: 104 total cpu time spent up to now is 157.6 secs Computing kpt #: 105 total cpu time spent up to now is 159.0 secs Computing kpt #: 106 total cpu time spent up to now is 160.3 secs Computing kpt #: 107 total cpu time spent up to now is 161.7 secs Computing kpt #: 108 total cpu time spent up to now is 163.1 secs Computing kpt #: 109 total cpu time spent up to now is 164.5 secs Computing kpt #: 110 total cpu time spent up to now is 165.8 secs Computing kpt #: 111 total cpu time spent up to now is 167.1 secs Computing kpt #: 112 total cpu time spent up to now is 168.5 secs Computing kpt #: 113 total cpu time spent up to now is 169.9 secs Computing kpt #: 114 total cpu time spent up to now is 171.2 secs Computing kpt #: 115 total cpu time spent up to now is 172.6 secs Computing kpt #: 116 total cpu time spent up to now is 174.0 secs Computing kpt #: 117 total cpu time spent up to now is 175.3 secs Computing kpt #: 118 total cpu time spent up to now is 176.5 secs Computing kpt #: 119 total cpu time spent up to now is 177.8 secs Computing kpt #: 120 total cpu time spent up to now is 179.0 secs Computing kpt #: 121 total cpu time spent up to now is 180.0 secs Computing kpt #: 122 total cpu time spent up to now is 181.2 secs Computing kpt #: 123 total cpu time spent up to now is 182.3 secs Computing kpt #: 124 total cpu time spent up to now is 183.4 secs Computing kpt #: 125 total cpu time spent up to now is 184.6 secs Computing kpt #: 126 total cpu time spent up to now is 185.8 secs Computing kpt #: 127 total cpu time spent up to now is 187.1 secs Computing kpt #: 128 total cpu time spent up to now is 188.4 secs Computing kpt #: 129 total cpu time spent up to now is 189.8 secs Computing kpt #: 130 total cpu time spent up to now is 191.1 secs Computing kpt #: 131 total cpu time spent up to now is 192.4 secs Computing kpt #: 132 total cpu time spent up to now is 193.6 secs Computing kpt #: 133 total cpu time spent up to now is 194.8 secs Computing kpt #: 134 total cpu time spent up to now is 196.0 secs Computing kpt #: 135 total cpu time spent up to now is 197.3 secs Computing kpt #: 136 total cpu time spent up to now is 198.6 secs Computing kpt #: 137 total cpu time spent up to now is 199.9 secs Computing kpt #: 138 total cpu time spent up to now is 201.3 secs Computing kpt #: 139 total cpu time spent up to now is 202.6 secs Computing kpt #: 140 total cpu time spent up to now is 203.9 secs Computing kpt #: 141 total cpu time spent up to now is 205.2 secs Computing kpt #: 142 total cpu time spent up to now is 206.6 secs Computing kpt #: 143 total cpu time spent up to now is 207.9 secs Computing kpt #: 144 total cpu time spent up to now is 209.4 secs Computing kpt #: 145 total cpu time spent up to now is 210.7 secs Computing kpt #: 146 total cpu time spent up to now is 211.9 secs Computing kpt #: 147 total cpu time spent up to now is 213.2 secs Computing kpt #: 148 total cpu time spent up to now is 214.4 secs Computing kpt #: 149 total cpu time spent up to now is 215.7 secs Computing kpt #: 150 total cpu time spent up to now is 216.9 secs Computing kpt #: 151 total cpu time spent up to now is 218.2 secs Computing kpt #: 152 total cpu time spent up to now is 219.5 secs Computing kpt #: 153 total cpu time spent up to now is 220.8 secs Computing kpt #: 154 total cpu time spent up to now is 222.1 secs Computing kpt #: 155 total cpu time spent up to now is 223.4 secs Computing kpt #: 156 total cpu time spent up to now is 224.7 secs Computing kpt #: 157 total cpu time spent up to now is 226.1 secs Computing kpt #: 158 total cpu time spent up to now is 227.4 secs Computing kpt #: 159 total cpu time spent up to now is 228.8 secs Computing kpt #: 160 total cpu time spent up to now is 230.1 secs Computing kpt #: 161 total cpu time spent up to now is 231.8 secs Computing kpt #: 162 total cpu time spent up to now is 233.5 secs Computing kpt #: 163 total cpu time spent up to now is 235.2 secs Computing kpt #: 164 total cpu time spent up to now is 236.8 secs Computing kpt #: 165 total cpu time spent up to now is 238.2 secs Computing kpt #: 166 total cpu time spent up to now is 239.8 secs Computing kpt #: 167 total cpu time spent up to now is 241.3 secs Computing kpt #: 168 total cpu time spent up to now is 242.8 secs Computing kpt #: 169 total cpu time spent up to now is 244.3 secs Computing kpt #: 170 total cpu time spent up to now is 245.9 secs Computing kpt #: 171 total cpu time spent up to now is 247.5 secs Computing kpt #: 172 total cpu time spent up to now is 249.2 secs Computing kpt #: 173 total cpu time spent up to now is 250.8 secs Computing kpt #: 174 total cpu time spent up to now is 252.4 secs Computing kpt #: 175 total cpu time spent up to now is 253.9 secs Computing kpt #: 176 total cpu time spent up to now is 255.5 secs Computing kpt #: 177 total cpu time spent up to now is 257.0 secs Computing kpt #: 178 total cpu time spent up to now is 258.5 secs Computing kpt #: 179 total cpu time spent up to now is 260.0 secs Computing kpt #: 180 total cpu time spent up to now is 261.5 secs Computing kpt #: 181 total cpu time spent up to now is 263.0 secs Computing kpt #: 182 total cpu time spent up to now is 264.4 secs Computing kpt #: 183 total cpu time spent up to now is 265.9 secs Computing kpt #: 184 total cpu time spent up to now is 267.5 secs Computing kpt #: 185 total cpu time spent up to now is 269.2 secs Computing kpt #: 186 total cpu time spent up to now is 272.1 secs Computing kpt #: 187 total cpu time spent up to now is 279.3 secs Computing kpt #: 188 total cpu time spent up to now is 280.8 secs Computing kpt #: 189 total cpu time spent up to now is 282.4 secs Computing kpt #: 190 total cpu time spent up to now is 283.9 secs Computing kpt #: 191 total cpu time spent up to now is 285.5 secs Computing kpt #: 192 total cpu time spent up to now is 287.1 secs Computing kpt #: 193 total cpu time spent up to now is 288.6 secs Computing kpt #: 194 total cpu time spent up to now is 290.0 secs Computing kpt #: 195 total cpu time spent up to now is 291.5 secs Computing kpt #: 196 total cpu time spent up to now is 293.0 secs Computing kpt #: 197 total cpu time spent up to now is 294.5 secs Computing kpt #: 198 total cpu time spent up to now is 296.1 secs Computing kpt #: 199 total cpu time spent up to now is 316.6 secs Computing kpt #: 200 total cpu time spent up to now is 480.7 secs Computing kpt #: 201 total cpu time spent up to now is 483.0 secs Computing kpt #: 202 total cpu time spent up to now is 484.5 secs Computing kpt #: 203 total cpu time spent up to now is 486.0 secs Computing kpt #: 204 total cpu time spent up to now is 487.4 secs Computing kpt #: 205 total cpu time spent up to now is 488.9 secs Computing kpt #: 206 total cpu time spent up to now is 490.4 secs Computing kpt #: 207 total cpu time spent up to now is 491.9 secs Computing kpt #: 208 total cpu time spent up to now is 493.4 secs Computing kpt #: 209 total cpu time spent up to now is 494.8 secs Computing kpt #: 210 total cpu time spent up to now is 496.3 secs Computing kpt #: 211 total cpu time spent up to now is 497.8 secs Computing kpt #: 212 total cpu time spent up to now is 499.4 secs Computing kpt #: 213 total cpu time spent up to now is 501.4 secs Computing kpt #: 214 total cpu time spent up to now is 503.0 secs Computing kpt #: 215 total cpu time spent up to now is 504.6 secs Computing kpt #: 216 total cpu time spent up to now is 506.1 secs Computing kpt #: 217 total cpu time spent up to now is 507.5 secs Computing kpt #: 218 total cpu time spent up to now is 509.0 secs Computing kpt #: 219 total cpu time spent up to now is 510.4 secs Computing kpt #: 220 total cpu time spent up to now is 511.9 secs Computing kpt #: 221 total cpu time spent up to now is 513.4 secs Computing kpt #: 222 total cpu time spent up to now is 515.0 secs Computing kpt #: 223 total cpu time spent up to now is 516.5 secs Computing kpt #: 224 total cpu time spent up to now is 518.0 secs Computing kpt #: 225 total cpu time spent up to now is 519.5 secs Computing kpt #: 226 total cpu time spent up to now is 521.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.6 secs Computing kpt #: 228 total cpu time spent up to now is 525.1 secs Computing kpt #: 229 total cpu time spent up to now is 526.6 secs Computing kpt #: 230 total cpu time spent up to now is 528.0 secs Computing kpt #: 231 total cpu time spent up to now is 529.5 secs Computing kpt #: 232 total cpu time spent up to now is 531.1 secs Computing kpt #: 233 total cpu time spent up to now is 532.5 secs Computing kpt #: 234 total cpu time spent up to now is 534.0 secs Computing kpt #: 235 total cpu time spent up to now is 535.5 secs Computing kpt #: 236 total cpu time spent up to now is 537.1 secs Computing kpt #: 237 total cpu time spent up to now is 538.8 secs Computing kpt #: 238 total cpu time spent up to now is 540.4 secs Computing kpt #: 239 total cpu time spent up to now is 542.1 secs Computing kpt #: 240 total cpu time spent up to now is 543.8 secs Computing kpt #: 241 total cpu time spent up to now is 545.5 secs Computing kpt #: 242 total cpu time spent up to now is 547.4 secs Computing kpt #: 243 total cpu time spent up to now is 548.9 secs Computing kpt #: 244 total cpu time spent up to now is 550.5 secs Computing kpt #: 245 total cpu time spent up to now is 552.1 secs Computing kpt #: 246 total cpu time spent up to now is 554.3 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.9 secs Computing kpt #: 248 total cpu time spent up to now is 558.5 secs Computing kpt #: 249 total cpu time spent up to now is 560.2 secs Computing kpt #: 250 total cpu time spent up to now is 561.8 secs Computing kpt #: 251 total cpu time spent up to now is 564.2 secs Computing kpt #: 252 total cpu time spent up to now is 566.4 secs Computing kpt #: 253 total cpu time spent up to now is 568.0 secs Computing kpt #: 254 total cpu time spent up to now is 569.8 secs Computing kpt #: 255 total cpu time spent up to now is 571.4 secs Computing kpt #: 256 total cpu time spent up to now is 572.7 secs Computing kpt #: 257 total cpu time spent up to now is 574.0 secs Computing kpt #: 258 total cpu time spent up to now is 575.3 secs Computing kpt #: 259 total cpu time spent up to now is 576.5 secs Computing kpt #: 260 total cpu time spent up to now is 577.8 secs Computing kpt #: 261 total cpu time spent up to now is 579.0 secs Computing kpt #: 262 total cpu time spent up to now is 580.3 secs Computing kpt #: 263 total cpu time spent up to now is 581.9 secs Computing kpt #: 264 total cpu time spent up to now is 583.3 secs Computing kpt #: 265 total cpu time spent up to now is 584.8 secs Computing kpt #: 266 total cpu time spent up to now is 586.3 secs Computing kpt #: 267 total cpu time spent up to now is 587.8 secs Computing kpt #: 268 total cpu time spent up to now is 589.3 secs Computing kpt #: 269 total cpu time spent up to now is 590.7 secs Computing kpt #: 270 total cpu time spent up to now is 592.2 secs Computing kpt #: 271 total cpu time spent up to now is 593.6 secs Computing kpt #: 272 total cpu time spent up to now is 595.1 secs Computing kpt #: 273 total cpu time spent up to now is 596.5 secs Computing kpt #: 274 total cpu time spent up to now is 597.9 secs Computing kpt #: 275 total cpu time spent up to now is 599.4 secs Computing kpt #: 276 total cpu time spent up to now is 600.9 secs Computing kpt #: 277 total cpu time spent up to now is 602.4 secs Computing kpt #: 278 total cpu time spent up to now is 603.8 secs Computing kpt #: 279 total cpu time spent up to now is 605.3 secs Computing kpt #: 280 total cpu time spent up to now is 606.8 secs Computing kpt #: 281 total cpu time spent up to now is 608.3 secs Computing kpt #: 282 total cpu time spent up to now is 609.8 secs Computing kpt #: 283 total cpu time spent up to now is 611.2 secs Computing kpt #: 284 total cpu time spent up to now is 612.7 secs Computing kpt #: 285 total cpu time spent up to now is 614.2 secs Computing kpt #: 286 total cpu time spent up to now is 615.7 secs Computing kpt #: 287 total cpu time spent up to now is 617.1 secs Computing kpt #: 288 total cpu time spent up to now is 618.6 secs Computing kpt #: 289 total cpu time spent up to now is 620.1 secs Computing kpt #: 290 total cpu time spent up to now is 621.4 secs Computing kpt #: 291 total cpu time spent up to now is 622.8 secs Computing kpt #: 292 total cpu time spent up to now is 624.0 secs Computing kpt #: 293 total cpu time spent up to now is 625.4 secs Computing kpt #: 294 total cpu time spent up to now is 626.9 secs Computing kpt #: 295 total cpu time spent up to now is 628.4 secs Computing kpt #: 296 total cpu time spent up to now is 629.9 secs Computing kpt #: 297 total cpu time spent up to now is 632.1 secs Computing kpt #: 298 total cpu time spent up to now is 633.6 secs Computing kpt #: 299 total cpu time spent up to now is 635.2 secs Computing kpt #: 300 total cpu time spent up to now is 636.8 secs Computing kpt #: 301 total cpu time spent up to now is 638.4 secs Computing kpt #: 302 total cpu time spent up to now is 639.9 secs Computing kpt #: 303 total cpu time spent up to now is 641.4 secs Computing kpt #: 304 total cpu time spent up to now is 642.9 secs Computing kpt #: 305 total cpu time spent up to now is 644.4 secs Computing kpt #: 306 total cpu time spent up to now is 646.0 secs Computing kpt #: 307 total cpu time spent up to now is 647.5 secs Computing kpt #: 308 total cpu time spent up to now is 649.0 secs Computing kpt #: 309 total cpu time spent up to now is 650.5 secs Computing kpt #: 310 total cpu time spent up to now is 652.1 secs Computing kpt #: 311 total cpu time spent up to now is 654.0 secs Computing kpt #: 312 total cpu time spent up to now is 655.5 secs Computing kpt #: 313 total cpu time spent up to now is 657.0 secs Computing kpt #: 314 total cpu time spent up to now is 658.5 secs Computing kpt #: 315 total cpu time spent up to now is 659.9 secs Computing kpt #: 316 total cpu time spent up to now is 661.5 secs Computing kpt #: 317 total cpu time spent up to now is 663.0 secs Computing kpt #: 318 total cpu time spent up to now is 664.6 secs ethr = 1.92E-08, avg # of iterations = 39.1 total cpu time spent up to now is 664.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4519 3.4519 5.7956 5.7956 6.4831 6.4831 6.7255 6.7255 6.8936 6.8936 7.5767 7.5767 7.9011 7.9011 8.0092 8.0092 8.1024 8.1024 8.3073 8.3073 8.8752 8.8752 8.9724 8.9724 10.1050 10.1050 11.5013 11.5013 11.7815 11.7815 12.8052 12.8052 13.3248 13.3248 13.5677 13.5677 14.3166 14.3166 14.3700 14.3700 15.3027 15.3027 15.3522 15.3522 15.6215 15.6215 k = 0.0119 0.0069-0.0000 ( 8019 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4535 3.4535 5.7959 5.7959 6.4837 6.4837 6.7254 6.7254 6.8938 6.8938 7.5772 7.5772 7.9009 7.9009 8.0090 8.0090 8.1012 8.1012 8.3080 8.3080 8.8640 8.8640 8.9869 8.9869 10.1032 10.1032 11.5003 11.5003 11.7804 11.7804 12.8047 12.8047 13.3218 13.3218 13.5651 13.5651 14.3152 14.3152 14.3687 14.3687 15.3023 15.3023 15.3516 15.3516 15.6255 15.6255 k = 0.0238 0.0137-0.0000 ( 8019 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4584 3.4584 5.7969 5.7969 6.4857 6.4857 6.7250 6.7250 6.8944 6.8944 7.5789 7.5789 7.9002 7.9002 8.0084 8.0084 8.0975 8.0975 8.3099 8.3099 8.8409 8.8409 9.0199 9.0199 10.0977 10.0977 11.4974 11.4974 11.7769 11.7769 12.8031 12.8031 13.3126 13.3126 13.5574 13.5574 14.3107 14.3107 14.3653 14.3653 15.3008 15.3008 15.3498 15.3498 15.6373 15.6373 k = 0.0357 0.0206-0.0000 ( 8019 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4667 3.4667 5.7986 5.7986 6.4889 6.4889 6.7244 6.7244 6.8954 6.8954 7.5816 7.5816 7.8992 7.8992 8.0070 8.0070 8.0918 8.0918 8.3131 8.3131 8.8158 8.8158 9.0612 9.0612 10.0887 10.0887 11.4923 11.4923 11.7715 11.7715 12.8003 12.8003 13.2975 13.2975 13.5446 13.5446 14.3022 14.3022 14.3608 14.3608 15.2983 15.2983 15.3470 15.3470 15.6561 15.6561 k = 0.0476 0.0275-0.0000 ( 8015 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5810 -20.5810 -20.0276 -20.0276 -19.9877 -19.9877 -19.9170 -19.9170 -19.6406 -19.6406 3.4782 3.4782 5.8009 5.8009 6.4935 6.4935 6.7236 6.7236 6.8967 6.8967 7.5853 7.5853 7.8978 7.8978 8.0043 8.0043 8.0852 8.0852 8.3175 8.3175 8.7919 8.7919 9.1073 9.1073 10.0761 10.0761 11.4850 11.4850 11.7644 11.7644 12.7964 12.7964 13.2766 13.2766 13.5269 13.5269 14.2884 14.2884 14.3565 14.3565 15.2943 15.2943 15.3437 15.3437 15.6805 15.6805 k = 0.0595 0.0344-0.0000 ( 8015 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5810 -20.5810 -20.0277 -20.0277 -19.9877 -19.9877 -19.9170 -19.9170 -19.6406 -19.6406 3.4929 3.4929 5.8038 5.8038 6.4992 6.4992 6.7226 6.7226 6.8985 6.8985 7.5901 7.5901 7.8961 7.8961 7.9994 7.9994 8.0787 8.0787 8.3230 8.3230 8.7701 8.7701 9.1569 9.1569 10.0602 10.0602 11.4750 11.4750 11.7561 11.7561 12.7910 12.7910 13.2500 13.2500 13.5045 13.5045 14.2691 14.2691 14.3532 14.3532 15.2888 15.2888 15.3402 15.3402 15.7066 15.7066 k = 0.0714 0.0412-0.0000 ( 8015 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5811 -20.5811 -20.0277 -20.0277 -19.9877 -19.9877 -19.9169 -19.9169 -19.6406 -19.6406 3.5109 3.5109 5.8074 5.8074 6.5062 6.5062 6.7213 6.7213 6.9005 6.9005 7.5957 7.5957 7.8943 7.8943 7.9915 7.9915 8.0736 8.0736 8.3295 8.3295 8.7505 8.7505 9.2092 9.2092 10.0410 10.0410 11.4622 11.4622 11.7472 11.7472 12.7841 12.7841 13.2182 13.2182 13.4774 13.4774 14.2442 14.2442 14.3507 14.3507 15.2812 15.2812 15.3369 15.3369 15.7239 15.7239 k = 0.0833 0.0481-0.0000 ( 8019 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5811 -20.5811 -20.0278 -20.0278 -19.9878 -19.9878 -19.9169 -19.9169 -19.6406 -19.6406 3.5322 3.5322 5.8116 5.8116 6.5143 6.5143 6.7199 6.7199 6.9029 6.9029 7.6022 7.6022 7.8925 7.8925 7.9801 7.9801 8.0710 8.0710 8.3370 8.3370 8.7331 8.7331 9.2637 9.2637 10.0190 10.0190 11.4463 11.4463 11.7381 11.7381 12.7753 12.7753 13.1816 13.1816 13.4460 13.4460 14.2144 14.2144 14.3490 14.3490 15.2717 15.2717 15.3341 15.3341 15.7102 15.7102 k = 0.0952 0.0550-0.0000 ( 8017 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5812 -20.5812 -20.0279 -20.0279 -19.9879 -19.9879 -19.9169 -19.9169 -19.6407 -19.6407 3.5566 3.5566 5.8163 5.8163 6.5236 6.5236 6.7182 6.7182 6.9056 6.9056 7.6095 7.6095 7.8907 7.8907 7.9655 7.9655 8.0708 8.0708 8.3452 8.3452 8.7177 8.7177 9.3198 9.3198 9.9944 9.9944 11.4271 11.4271 11.7295 11.7295 12.7641 12.7641 13.1409 13.1409 13.4104 13.4104 14.1803 14.1803 14.3479 14.3479 15.2600 15.2600 15.3317 15.3317 15.6595 15.6595 k = 0.1071 0.0619-0.0000 ( 8009 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5813 -20.5813 -20.0280 -20.0280 -19.9880 -19.9880 -19.9169 -19.9169 -19.6407 -19.6407 3.5842 3.5842 5.8217 5.8217 6.5339 6.5339 6.7163 6.7163 6.9085 6.9085 7.6173 7.6173 7.8891 7.8891 7.9488 7.9488 8.0728 8.0728 8.3542 8.3542 8.7041 8.7041 9.3766 9.3766 9.9681 9.9681 11.4044 11.4044 11.7216 11.7216 12.7498 12.7498 13.0968 13.0968 13.3711 13.3711 14.1422 14.1422 14.3470 14.3470 15.2461 15.2461 15.3297 15.3297 15.5884 15.5884 k = 0.1190 0.0687-0.0000 ( 7993 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5814 -20.5814 -20.0282 -20.0282 -19.9880 -19.9880 -19.9169 -19.9169 -19.6407 -19.6407 3.6149 3.6149 5.8275 5.8275 6.5451 6.5451 6.7144 6.7144 6.9117 6.9117 7.6255 7.6255 7.8876 7.8876 7.9308 7.9308 8.0765 8.0765 8.3637 8.3637 8.6920 8.6920 9.4329 9.4329 9.9412 9.9412 11.3784 11.3784 11.7146 11.7146 12.7315 12.7315 13.0504 13.0504 13.3284 13.3284 14.1006 14.1006 14.3463 14.3463 15.2296 15.2296 15.3279 15.3279 15.5078 15.5078 k = 0.1310 0.0756-0.0000 ( 7991 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5814 -20.5814 -20.0283 -20.0283 -19.9881 -19.9881 -19.9169 -19.9169 -19.6407 -19.6407 3.6487 3.6487 5.8339 5.8339 6.5573 6.5573 6.7123 6.7123 6.9150 6.9150 7.6338 7.6338 7.8864 7.8864 7.9126 7.9126 8.0815 8.0815 8.3737 8.3737 8.6814 8.6814 9.4864 9.4864 9.9158 9.9158 11.3492 11.3492 11.7088 11.7088 12.7081 12.7081 13.0028 13.0028 13.2830 13.2830 14.0559 14.0559 14.3458 14.3458 15.2095 15.2095 15.3258 15.3258 15.4243 15.4243 k = 0.1429 0.0825-0.0000 ( 7987 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6104 -20.6104 -20.5815 -20.5815 -20.0284 -20.0284 -19.9882 -19.9882 -19.9169 -19.9169 -19.6407 -19.6407 3.6856 3.6856 5.8407 5.8407 6.5704 6.5704 6.7101 6.7101 6.9185 6.9185 7.6421 7.6421 7.8845 7.8845 7.8958 7.8958 8.0875 8.0875 8.3840 8.3840 8.6720 8.6720 9.5333 9.5333 9.8960 9.8960 11.3168 11.3168 11.7040 11.7040 12.6780 12.6780 12.9555 12.9555 13.2358 13.2358 14.0085 14.0085 14.3454 14.3454 15.1824 15.1824 15.3185 15.3185 15.3493 15.3493 k = 0.1548 0.0894-0.0000 ( 7985 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6104 -20.6104 -20.5816 -20.5816 -20.0286 -20.0286 -19.9883 -19.9883 -19.9168 -19.9168 -19.6408 -19.6408 3.7254 3.7254 5.8479 5.8479 6.5841 6.5841 6.7079 6.7079 6.9222 6.9222 7.6499 7.6499 7.8746 7.8746 7.8886 7.8886 8.0945 8.0945 8.3945 8.3945 8.6636 8.6636 9.5669 9.5669 9.8884 9.8884 11.2818 11.2818 11.7001 11.7001 12.6401 12.6401 12.9090 12.9090 13.1878 13.1878 13.9586 13.9586 14.3450 14.3450 15.1405 15.1405 15.2698 15.2698 15.3289 15.3289 k = 0.1667 0.0962-0.0000 ( 7989 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6105 -20.6105 -20.5818 -20.5818 -20.0288 -20.0288 -19.9885 -19.9885 -19.9168 -19.9168 -19.6408 -19.6408 3.7682 3.7682 5.8554 5.8554 6.5985 6.5985 6.7057 6.7057 6.9259 6.9259 7.6567 7.6567 7.8599 7.8599 7.8885 7.8885 8.1023 8.1023 8.4051 8.4051 8.6561 8.6561 9.5795 9.5795 9.9007 9.9007 11.2441 11.2441 11.6971 11.6971 12.5938 12.5938 12.8634 12.8634 13.1406 13.1406 13.9066 13.9066 14.3446 14.3446 15.0772 15.0772 15.2249 15.2249 15.3262 15.3262 k = 0.1786 0.1031-0.0000 ( 7995 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6105 -20.6105 -20.5819 -20.5819 -20.0289 -20.0289 -19.9886 -19.9886 -19.9168 -19.9168 -19.6408 -19.6408 3.8139 3.8139 5.8632 5.8632 6.6134 6.6134 6.7037 6.7037 6.9296 6.9296 7.6622 7.6622 7.8468 7.8468 7.8897 7.8897 8.1108 8.1108 8.4156 8.4156 8.6494 8.6494 9.5691 9.5691 9.9352 9.9352 11.2042 11.2042 11.6947 11.6947 12.5395 12.5395 12.8174 12.8174 13.0961 13.0961 13.8527 13.8527 14.3442 14.3442 14.9996 14.9996 15.1946 15.1946 15.3236 15.3236 k = 0.1905 0.1100-0.0000 ( 7995 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6106 -20.6106 -20.5820 -20.5820 -20.0291 -20.0291 -19.9887 -19.9887 -19.9168 -19.9168 -19.6408 -19.6408 3.8624 3.8624 5.8711 5.8711 6.6286 6.6286 6.7020 6.7020 6.9333 6.9333 7.6658 7.6658 7.8363 7.8363 7.8917 7.8917 8.1200 8.1200 8.4259 8.4259 8.6435 8.6435 9.5408 9.5408 9.9868 9.9868 11.1621 11.1621 11.6927 11.6927 12.4785 12.4785 12.7691 12.7691 13.0559 13.0559 13.7972 13.7972 14.3438 14.3438 14.9177 14.9177 15.1705 15.1705 15.3146 15.3146 k = 0.2024 0.1168-0.0000 ( 7987 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6106 -20.6106 -20.5821 -20.5821 -20.0293 -20.0293 -19.9888 -19.9888 -19.9167 -19.9167 -19.6409 -19.6409 3.9136 3.9136 5.8792 5.8792 6.6441 6.6441 6.7005 6.7005 6.9370 6.9370 7.6672 7.6672 7.8288 7.8288 7.8946 7.8946 8.1299 8.1299 8.4359 8.4359 8.6383 8.6383 9.5013 9.5013 10.0491 10.0491 11.1180 11.1180 11.6911 11.6911 12.4125 12.4125 12.7169 12.7169 13.0213 13.0213 13.7404 13.7404 14.3434 14.3434 14.8364 14.8364 15.1475 15.1475 15.2621 15.2621 k = 0.2143 0.1237-0.0000 ( 8001 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6107 -20.6107 -20.5822 -20.5822 -20.0295 -20.0295 -19.9889 -19.9889 -19.9167 -19.9167 -19.6409 -19.6409 3.9674 3.9674 5.8872 5.8872 6.6595 6.6595 6.6998 6.6998 6.9405 6.9405 7.6664 7.6664 7.8242 7.8242 7.8983 7.8983 8.1403 8.1403 8.4453 8.4453 8.6337 8.6337 9.4550 9.4550 10.1179 10.1179 11.0721 11.0721 11.6895 11.6895 12.3429 12.3429 12.6600 12.6600 12.9925 12.9925 13.6824 13.6824 14.3429 14.3429 14.7575 14.7575 15.1177 15.1177 15.1851 15.1851 k = 0.2262 0.1306-0.0000 ( 8001 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6108 -20.6108 -20.5823 -20.5823 -20.0296 -20.0296 -19.9891 -19.9891 -19.9167 -19.9167 -19.6409 -19.6409 4.0238 4.0238 5.8952 5.8952 6.6742 6.6742 6.7002 6.7002 6.9440 6.9440 7.6637 7.6637 7.8220 7.8220 7.9030 7.9030 8.1513 8.1513 8.4541 8.4541 8.6298 8.6298 9.4045 9.4045 10.1908 10.1908 11.0245 11.0245 11.6876 11.6876 12.2716 12.2716 12.5989 12.5989 12.9692 12.9692 13.6236 13.6236 14.3424 14.3424 14.6821 14.6821 15.0582 15.0582 15.1364 15.1364 k = 0.2381 0.1375-0.0000 ( 7997 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6108 -20.6108 -20.5825 -20.5825 -20.0298 -20.0298 -19.9892 -19.9892 -19.9167 -19.9167 -19.6409 -19.6409 4.0826 4.0826 5.9029 5.9029 6.6860 6.6860 6.7039 6.7039 6.9474 6.9474 7.6597 7.6597 7.8213 7.8213 7.9085 7.9085 8.1630 8.1630 8.4620 8.4620 8.6264 8.6264 9.3515 9.3515 10.2663 10.2663 10.9753 10.9753 11.6852 11.6852 12.1999 12.1999 12.5343 12.5343 12.9503 12.9503 13.5640 13.5640 14.3418 14.3418 14.6105 14.6105 14.9762 14.9762 15.1119 15.1119 k = 0.2500 0.1443-0.0000 ( 8003 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6109 -20.6109 -20.5826 -20.5826 -20.0300 -20.0300 -19.9893 -19.9893 -19.9166 -19.9166 -19.6410 -19.6410 4.1436 4.1436 5.9103 5.9103 6.6919 6.6919 6.7140 6.7140 6.9506 6.9506 7.6551 7.6551 7.8209 7.8209 7.9151 7.9151 8.1751 8.1751 8.4691 8.4691 8.6235 8.6235 9.2972 9.2972 10.3436 10.3436 10.9248 10.9248 11.6818 11.6818 12.1295 12.1295 12.4676 12.4676 12.9349 12.9349 13.5040 13.5040 14.3411 14.3411 14.5430 14.5430 14.8910 14.8910 15.0931 15.0931 k = 0.2619 0.1512-0.0000 ( 8005 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6109 -20.6109 -20.5827 -20.5827 -20.0302 -20.0302 -19.9895 -19.9895 -19.9166 -19.9166 -19.6410 -19.6410 4.2069 4.2069 5.9173 5.9173 6.6946 6.6946 6.7276 6.7276 6.9536 6.9536 7.6505 7.6505 7.8198 7.8198 7.9228 7.9228 8.1878 8.1878 8.4750 8.4750 8.6211 8.6211 9.2425 9.2425 10.4216 10.4216 10.8733 10.8733 11.6765 11.6765 12.0618 12.0618 12.3996 12.3996 12.9221 12.9221 13.4436 13.4436 14.3403 14.3403 14.4797 14.4797 14.8068 14.8068 15.0760 15.0760 k = 0.2738 0.1581-0.0000 ( 8008 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6110 -20.6110 -20.5829 -20.5829 -20.0304 -20.0304 -19.9896 -19.9896 -19.9166 -19.9166 -19.6410 -19.6410 4.2721 4.2721 5.9239 5.9239 6.6969 6.6969 6.7418 6.7418 6.9566 6.9566 7.6463 7.6463 7.8172 7.8172 7.9315 7.9315 8.2010 8.2010 8.4799 8.4799 8.6191 8.6191 9.1884 9.1884 10.4989 10.4989 10.8221 10.8221 11.6686 11.6686 11.9988 11.9988 12.3314 12.3314 12.9114 12.9114 13.3830 13.3830 14.3390 14.3390 14.4208 14.4208 14.7245 14.7245 15.0596 15.0596 k = 0.2857 0.1650-0.0000 ( 8012 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6111 -20.6111 -20.5830 -20.5830 -20.0306 -20.0306 -19.9897 -19.9897 -19.9166 -19.9166 -19.6411 -19.6411 4.3392 4.3392 5.9298 5.9298 6.6996 6.6996 6.7557 6.7557 6.9596 6.9596 7.6428 7.6428 7.8122 7.8122 7.9412 7.9412 8.2147 8.2147 8.4835 8.4835 8.6174 8.6174 9.1356 9.1356 10.5716 10.5716 10.7746 10.7746 11.6564 11.6564 11.9427 11.9427 12.2637 12.2637 12.9022 12.9022 13.3224 13.3224 14.3353 14.3353 14.3680 14.3680 14.6447 14.6447 15.0436 15.0436 k = 0.2976 0.1718-0.0000 ( 8008 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6111 -20.6111 -20.5831 -20.5831 -20.0308 -20.0308 -19.9898 -19.9898 -19.9165 -19.9165 -19.6411 -19.6411 4.4079 4.4079 5.9351 5.9351 6.7031 6.7031 6.7689 6.7689 6.9625 6.9625 7.6399 7.6399 7.8044 7.8044 7.9520 7.9520 8.2287 8.2287 8.4859 8.4859 8.6160 8.6160 9.0849 9.0849 10.6217 10.6217 10.7489 10.7489 11.6384 11.6384 11.8957 11.8957 12.1973 12.1973 12.8943 12.8943 13.2619 13.2619 14.3074 14.3074 14.3433 14.3433 14.5679 14.5679 15.0277 15.0277 k = 0.3095 0.1787-0.0000 ( 8004 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6112 -20.6112 -20.5832 -20.5832 -20.0309 -20.0309 -19.9900 -19.9900 -19.9165 -19.9165 -19.6411 -19.6411 4.4780 4.4780 5.9396 5.9396 6.7072 6.7072 6.7812 6.7812 6.9655 6.9655 7.6375 7.6375 7.7935 7.7935 7.9637 7.9637 8.2430 8.2430 8.4872 8.4872 8.6146 8.6146 9.0370 9.0370 10.6098 10.6098 10.7842 10.7842 11.6135 11.6135 11.8593 11.8593 12.1329 12.1329 12.8873 12.8873 13.2016 13.2016 14.2615 14.2615 14.3401 14.3401 14.4941 14.4941 15.0116 15.0116 k = 0.3214 0.1856-0.0000 ( 7998 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6112 -20.6112 -20.5833 -20.5833 -20.0311 -20.0311 -19.9901 -19.9901 -19.9165 -19.9165 -19.6411 -19.6411 4.5492 4.5492 5.9434 5.9434 6.7122 6.7122 6.7924 6.7924 6.9687 6.9687 7.6348 7.6348 7.7796 7.7796 7.9763 7.9763 8.2574 8.2574 8.4874 8.4874 8.6133 8.6133 8.9924 8.9924 10.5632 10.5632 10.8532 10.8532 11.5825 11.5825 11.8333 11.8333 12.0711 12.0711 12.8811 12.8811 13.1416 13.1416 14.2174 14.2174 14.3386 14.3386 14.4237 14.4237 14.9953 14.9953 k = 0.3333 0.1925-0.0000 ( 7980 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6113 -20.6113 -20.5834 -20.5834 -20.0313 -20.0313 -19.9902 -19.9902 -19.9165 -19.9165 -19.6412 -19.6412 4.6213 4.6213 5.9463 5.9463 6.7179 6.7179 6.8023 6.8023 6.9721 6.9721 7.6306 7.6306 7.7639 7.7639 7.9896 7.9896 8.2718 8.2718 8.4866 8.4866 8.6119 8.6119 8.9516 8.9516 10.5089 10.5089 10.9285 10.9285 11.5479 11.5479 11.8152 11.8152 12.0130 12.0130 12.8756 12.8756 13.0819 13.0819 14.1763 14.1763 14.3361 14.3361 14.3581 14.3581 14.9783 14.9783 k = 0.3452 0.1993-0.0000 ( 7986 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6113 -20.6113 -20.5836 -20.5836 -20.0314 -20.0314 -19.9903 -19.9903 -19.9164 -19.9164 -19.6412 -19.6412 4.6938 4.6938 5.9485 5.9485 6.7243 6.7243 6.8109 6.8109 6.9757 6.9757 7.6227 7.6227 7.7482 7.7482 8.0038 8.0038 8.2859 8.2859 8.4849 8.4849 8.6107 8.6107 8.9148 8.9148 10.4529 10.4529 11.0038 11.0038 11.5128 11.5128 11.8017 11.8017 11.9601 11.9601 12.8705 12.8705 13.0226 13.0226 14.1384 14.1384 14.2921 14.2921 14.3379 14.3379 14.9605 14.9605 k = 0.3571 0.2062-0.0000 ( 8002 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6114 -20.6114 -20.5837 -20.5837 -20.0316 -20.0316 -19.9904 -19.9904 -19.9164 -19.9164 -19.6412 -19.6412 4.7664 4.7664 5.9498 5.9498 6.7313 6.7313 6.8180 6.8180 6.9797 6.9797 7.6080 7.6080 7.7356 7.7356 8.0186 8.0186 8.2995 8.2995 8.4825 8.4825 8.6097 8.6097 8.8818 8.8818 10.3972 10.3972 11.0762 11.0762 11.4804 11.4804 11.7883 11.7883 11.9154 11.9154 12.8656 12.8656 12.9639 12.9639 14.1036 14.1036 14.2331 14.2331 14.3366 14.3366 14.9416 14.9416 k = 0.3690 0.2131-0.0000 ( 7986 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6114 -20.6114 -20.5838 -20.5838 -20.0317 -20.0317 -19.9905 -19.9905 -19.9164 -19.9164 -19.6412 -19.6412 4.8387 4.8387 5.9504 5.9504 6.7388 6.7388 6.8238 6.8238 6.9840 6.9840 7.5845 7.5845 7.7285 7.7285 8.0341 8.0341 8.3122 8.3122 8.4794 8.4794 8.6091 8.6091 8.8525 8.8525 10.3429 10.3429 11.1421 11.1421 11.4544 11.4544 11.7698 11.7698 11.8835 11.8835 12.8600 12.8600 12.9068 12.9068 14.0719 14.0719 14.1778 14.1778 14.3356 14.3356 14.9213 14.9213 k = 0.3810 0.2199-0.0000 ( 7996 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6115 -20.6115 -20.5838 -20.5838 -20.0319 -20.0319 -19.9906 -19.9906 -19.9164 -19.9164 -19.6412 -19.6412 4.9099 4.9099 5.9501 5.9501 6.7468 6.7468 6.8282 6.8282 6.9884 6.9884 7.5525 7.5525 7.7269 7.7269 8.0503 8.0503 8.3238 8.3238 8.4759 8.4759 8.6091 8.6091 8.8263 8.8263 10.2908 10.2908 11.1961 11.1961 11.4399 11.4399 11.7430 11.7430 11.8678 11.8678 12.8383 12.8383 12.8663 12.8663 14.0432 14.0432 14.1266 14.1266 14.3348 14.3348 14.8996 14.8996 k = 0.3929 0.2268-0.0000 ( 7998 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6115 -20.6115 -20.5839 -20.5839 -20.0320 -20.0320 -19.9907 -19.9907 -19.9164 -19.9164 -19.6413 -19.6413 4.9796 4.9796 5.9491 5.9491 6.7551 6.7551 6.8313 6.8313 6.9930 6.9930 7.5141 7.5141 7.7294 7.7294 8.0672 8.0672 8.3337 8.3337 8.4722 8.4722 8.6099 8.6099 8.8029 8.8029 10.2418 10.2418 11.2302 11.2302 11.4435 11.4435 11.7114 11.7114 11.8659 11.8659 12.7843 12.7843 12.8586 12.8586 14.0173 14.0173 14.0798 14.0798 14.3341 14.3341 14.8764 14.8764 k = 0.4048 0.2337-0.0000 ( 8002 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5840 -20.5840 -20.0321 -20.0321 -19.9908 -19.9908 -19.9163 -19.9163 -19.6413 -19.6413 5.0469 5.0469 5.9474 5.9474 6.7635 6.7635 6.8335 6.8335 6.9975 6.9975 7.4720 7.4720 7.7344 7.7344 8.0847 8.0847 8.3416 8.3416 8.4687 8.4687 8.6116 8.6116 8.7816 8.7816 10.1964 10.1964 11.2415 11.2415 11.4658 11.4658 11.6807 11.6807 11.8742 11.8742 12.7266 12.7266 12.8551 12.8551 13.9943 13.9943 14.0375 14.0375 14.3334 14.3334 14.8520 14.8520 k = 0.4167 0.2406-0.0000 ( 7996 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5841 -20.5841 -20.0322 -20.0322 -19.9909 -19.9909 -19.9163 -19.9163 -19.6413 -19.6413 5.1109 5.1109 5.9450 5.9450 6.7719 6.7719 6.8348 6.8348 7.0018 7.0018 7.4282 7.4282 7.7406 7.7406 8.1026 8.1026 8.3470 8.3470 8.4656 8.4656 8.6144 8.6144 8.7621 8.7621 10.1552 10.1552 11.2376 11.2376 11.4954 11.4954 11.6560 11.6560 11.8913 11.8913 12.6682 12.6682 12.8523 12.8523 13.9739 13.9739 14.0000 14.0000 14.3327 14.3327 14.8270 14.8270 k = 0.4286 0.2474-0.0000 ( 8022 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5841 -20.5841 -20.0323 -20.0323 -19.9909 -19.9909 -19.9163 -19.9163 -19.6413 -19.6413 5.1707 5.1707 5.9421 5.9421 6.7801 6.7801 6.8354 6.8354 7.0057 7.0057 7.3848 7.3848 7.7472 7.7472 8.1209 8.1209 8.3494 8.3494 8.4632 8.4632 8.6181 8.6181 8.7440 8.7440 10.1187 10.1187 11.2273 11.2273 11.5170 11.5170 11.6432 11.6432 11.9173 11.9173 12.6096 12.6096 12.8501 12.8501 13.9555 13.9555 13.9680 13.9680 14.3321 14.3321 14.8022 14.8022 k = 0.4405 0.2543-0.0000 ( 8008 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5842 -20.5842 -20.0323 -20.0323 -19.9910 -19.9910 -19.9163 -19.9163 -19.6413 -19.6413 5.2249 5.2249 5.9388 5.9388 6.7879 6.7879 6.8355 6.8355 7.0091 7.0091 7.3436 7.3436 7.7537 7.7537 8.1391 8.1391 8.3487 8.3487 8.4619 8.4619 8.6229 8.6229 8.7273 8.7273 10.0873 10.0873 11.2155 11.2155 11.5219 11.5219 11.6456 11.6456 11.9525 11.9525 12.5507 12.5507 12.8483 12.8483 13.9354 13.9354 13.9454 13.9454 14.3316 14.3316 14.7787 14.7787 k = 0.4524 0.2612-0.0000 ( 8008 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6117 -20.6117 -20.5842 -20.5842 -20.0324 -20.0324 -19.9910 -19.9910 -19.9163 -19.9163 -19.6413 -19.6413 5.2722 5.2722 5.9353 5.9353 6.7950 6.7950 6.8355 6.8355 7.0118 7.0118 7.3066 7.3066 7.7596 7.7596 8.1568 8.1568 8.3452 8.3452 8.4615 8.4615 8.6286 8.6286 8.7117 8.7117 10.0613 10.0613 11.2046 11.2046 11.5148 11.5148 11.6567 11.6567 11.9960 11.9960 12.4916 12.4916 12.8468 12.8468 13.9137 13.9137 13.9320 13.9320 14.3312 14.3312 14.7576 14.7576 k = 0.4643 0.2681-0.0000 ( 8008 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9910 -19.9910 -19.9163 -19.9163 -19.6413 -19.6413 5.3113 5.3113 5.9320 5.9320 6.8010 6.8010 6.8354 6.8354 7.0138 7.0138 7.2755 7.2755 7.7645 7.7645 8.1732 8.1732 8.3396 8.3396 8.4618 8.4618 8.6352 8.6352 8.6974 8.6974 10.0408 10.0408 11.1954 11.1954 11.5043 11.5043 11.6683 11.6683 12.0457 12.0457 12.4329 12.4329 12.8457 12.8457 13.8959 13.8959 13.9224 13.9224 14.3309 14.3309 14.7399 14.7399 k = 0.4762 0.2749-0.0000 ( 7996 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3405 5.3405 5.9291 5.9291 6.8057 6.8057 6.8354 6.8354 7.0151 7.0151 7.2520 7.2520 7.7682 7.7682 8.1871 8.1871 8.3333 8.3333 8.4623 8.4623 8.6428 8.6428 8.6842 8.6842 10.0261 10.0261 11.1887 11.1887 11.4951 11.4951 11.6769 11.6769 12.0980 12.0980 12.3758 12.3758 12.8449 12.8449 13.8830 13.8830 13.9156 13.9156 14.3306 14.3306 14.7266 14.7266 k = 0.4881 0.2818-0.0000 ( 7984 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3587 5.3587 5.9272 5.9272 6.8086 6.8086 6.8354 6.8354 7.0158 7.0158 7.2372 7.2372 7.7705 7.7705 8.1967 8.1967 8.3282 8.3282 8.4628 8.4628 8.6513 8.6513 8.6723 8.6723 10.0173 10.0173 11.1845 11.1845 11.4891 11.4891 11.6820 11.6820 12.1467 12.1467 12.3250 12.3250 12.8444 12.8444 13.8752 13.8752 13.9116 13.9116 14.3305 14.3305 14.7183 14.7183 k = 0.5000 0.2887-0.0000 ( 7976 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3648 5.3648 5.9265 5.9265 6.8095 6.8095 6.8355 6.8355 7.0160 7.0160 7.2322 7.2322 7.7713 7.7713 8.2002 8.2002 8.3262 8.3262 8.4630 8.4630 8.6591 8.6591 8.6634 8.6634 10.0143 10.0143 11.1832 11.1832 11.4870 11.4870 11.6837 11.6837 12.1715 12.1715 12.2996 12.2996 12.8443 12.8443 13.8726 13.8726 13.9103 13.9103 14.3304 14.3304 14.7155 14.7155 k = 0.5000 0.2887-0.0000 ( 7976 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3648 5.3648 5.9265 5.9265 6.8095 6.8095 6.8355 6.8355 7.0160 7.0160 7.2322 7.2322 7.7713 7.7713 8.2002 8.2002 8.3262 8.3262 8.4630 8.4630 8.6591 8.6591 8.6634 8.6634 10.0143 10.0143 11.1832 11.1832 11.4870 11.4870 11.6837 11.6837 12.1715 12.1715 12.2996 12.2996 12.8443 12.8443 13.8726 13.8726 13.9103 13.9103 14.3304 14.3304 14.7155 14.7155 k = 0.4931 0.3007-0.0000 ( 7986 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3657 5.3657 5.9269 5.9269 6.8088 6.8088 6.8356 6.8356 7.0163 7.0163 7.2336 7.2336 7.7721 7.7721 8.1995 8.1995 8.3261 8.3261 8.4629 8.4629 8.6514 8.6514 8.6721 8.6721 10.0132 10.0132 11.1748 11.1748 11.4912 11.4912 11.6826 11.6826 12.1674 12.1674 12.2997 12.2997 12.8482 12.8482 13.8723 13.8723 13.9113 13.9113 14.3327 14.3327 14.7162 14.7162 k = 0.4861 0.3127-0.0000 ( 7998 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3685 5.3685 5.9281 5.9281 6.8066 6.8066 6.8361 6.8361 7.0169 7.0169 7.2375 7.2375 7.7747 7.7747 8.1973 8.1973 8.3256 8.3256 8.4623 8.4623 8.6430 8.6430 8.6832 8.6832 10.0100 10.0100 11.1520 11.1520 11.4990 11.4990 11.6820 11.6820 12.1559 12.1559 12.2997 12.2997 12.8593 12.8593 13.8712 13.8712 13.9144 13.9144 14.3393 14.3393 14.7184 14.7184 k = 0.4792 0.3248-0.0000 ( 8002 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6414 -19.6414 5.3731 5.3731 5.9301 5.9301 6.8032 6.8032 6.8369 6.8369 7.0179 7.0179 7.2440 7.2440 7.7790 7.7790 8.1938 8.1938 8.3249 8.3249 8.4612 8.4612 8.6361 8.6361 8.6949 8.6949 10.0046 10.0046 11.1197 11.1197 11.4985 11.4985 11.6889 11.6889 12.1392 12.1392 12.2998 12.2998 12.8760 12.8760 13.8692 13.8692 13.9193 13.9193 14.3503 14.3503 14.7221 14.7221 k = 0.4722 0.3368-0.0000 ( 8004 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0326 -20.0326 -19.9911 -19.9911 -19.9163 -19.9163 -19.6414 -19.6414 5.3795 5.3795 5.9328 5.9328 6.7990 6.7990 6.8380 6.8380 7.0190 7.0190 7.2529 7.2529 7.7849 7.7849 8.1889 8.1889 8.3239 8.3239 8.4594 8.4594 8.6311 8.6311 8.7068 8.7068 9.9967 9.9967 11.0818 11.0818 11.4797 11.4797 11.7095 11.7095 12.1200 12.1200 12.2999 12.2999 12.8961 12.8961 13.8665 13.8665 13.9257 13.9257 14.3656 14.3656 14.7273 14.7273 k = 0.4653 0.3488-0.0000 ( 8000 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0326 -20.0326 -19.9911 -19.9911 -19.9163 -19.9163 -19.6414 -19.6414 5.3877 5.3877 5.9360 5.9360 6.7942 6.7942 6.8394 6.8394 7.0199 7.0199 7.2641 7.2641 7.7925 7.7925 8.1828 8.1828 8.3226 8.3226 8.4567 8.4567 8.6283 8.6283 8.7189 8.7189 9.9862 9.9862 11.0412 11.0412 11.4419 11.4419 11.7425 11.7425 12.1008 12.1008 12.3000 12.3000 12.9179 12.9179 13.8629 13.8629 13.9330 13.9330 14.3848 14.3848 14.7338 14.7338 k = 0.4583 0.3608-0.0000 ( 7994 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0326 -20.0326 -19.9911 -19.9911 -19.9163 -19.9163 -19.6414 -19.6414 5.3977 5.3977 5.9397 5.9397 6.7894 6.7894 6.8410 6.8410 7.0205 7.0205 7.2774 7.2774 7.8016 7.8016 8.1754 8.1754 8.3210 8.3210 8.4529 8.4529 8.6278 8.6278 8.7309 8.7309 9.9728 9.9728 10.9996 10.9996 11.3898 11.3898 11.7824 11.7824 12.0832 12.0832 12.3004 12.3004 12.9397 12.9397 13.8585 13.8585 13.9409 13.9409 14.4077 14.4077 14.7417 14.7417 k = 0.4514 0.3729-0.0000 ( 7990 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5844 -20.5844 -20.0326 -20.0326 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.4093 5.4093 5.9437 5.9437 6.7848 6.7848 6.8428 6.8428 7.0208 7.0208 7.2925 7.2925 7.8122 7.8122 8.1668 8.1668 8.3191 8.3191 8.4482 8.4482 8.6299 8.6299 8.7428 8.7428 9.9562 9.9562 10.9579 10.9579 11.3280 11.3280 11.8245 11.8245 12.0688 12.0688 12.3012 12.3012 12.9606 12.9606 13.8533 13.8533 13.9486 13.9486 14.4340 14.4340 14.7509 14.7509 k = 0.4444 0.3849-0.0000 ( 8008 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5844 -20.5844 -20.0327 -20.0327 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.4226 5.4226 5.9478 5.9478 6.7808 6.7808 6.8448 6.8448 7.0207 7.0207 7.3092 7.3092 7.8241 7.8241 8.1572 8.1572 8.3168 8.3168 8.4425 8.4425 8.6343 8.6343 8.7545 8.7545 9.9360 9.9360 10.9168 10.9168 11.2604 11.2604 11.8650 11.8650 12.0592 12.0592 12.3028 12.3028 12.9800 12.9800 13.8475 13.8475 13.9556 13.9556 14.4634 14.4634 14.7612 14.7612 k = 0.4375 0.3969-0.0000 ( 8012 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6118 -20.6118 -20.5844 -20.5844 -20.0327 -20.0327 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.4374 5.4374 5.9518 5.9518 6.7777 6.7777 6.8469 6.8469 7.0202 7.0202 7.3273 7.3273 7.8372 7.8372 8.1467 8.1467 8.3141 8.3141 8.4361 8.4361 8.6411 8.6411 8.7658 8.7658 9.9116 9.9116 10.8767 10.8767 11.1900 11.1900 11.8997 11.8997 12.0566 12.0566 12.3058 12.3058 12.9975 12.9975 13.8410 13.8410 13.9615 13.9615 14.4956 14.4956 14.7727 14.7727 k = 0.4306 0.4090-0.0000 ( 8006 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5844 -20.5844 -20.0327 -20.0327 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.4537 5.4537 5.9556 5.9556 6.7757 6.7757 6.8490 6.8490 7.0194 7.0194 7.3465 7.3465 7.8513 7.8513 8.1355 8.1355 8.3111 8.3111 8.4292 8.4292 8.6500 8.6500 8.7766 8.7766 9.8828 9.8828 10.8378 10.8378 11.1195 11.1195 11.9244 11.9244 12.0635 12.0635 12.3108 12.3108 13.0131 13.0131 13.8341 13.8341 13.9658 13.9658 14.5300 14.5300 14.7852 14.7852 k = 0.4236 0.4210-0.0000 ( 8010 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0328 -20.0328 -19.9913 -19.9913 -19.9163 -19.9163 -19.6414 -19.6414 5.4714 5.4714 5.9589 5.9589 6.7748 6.7748 6.8512 6.8512 7.0183 7.0183 7.3667 7.3667 7.8659 7.8659 8.1238 8.1238 8.3075 8.3075 8.4222 8.4222 8.6608 8.6608 8.7869 8.7869 9.8491 9.8491 10.8003 10.8003 11.0511 11.0511 11.9376 11.9376 12.0796 12.0796 12.3189 12.3189 13.0268 13.0268 13.8268 13.8268 13.9682 13.9682 14.5662 14.5662 14.7986 14.7986 k = 0.4167 0.4330-0.0000 ( 8020 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0328 -20.0328 -19.9913 -19.9913 -19.9163 -19.9163 -19.6414 -19.6414 5.4903 5.4903 5.9615 5.9615 6.7753 6.7753 6.8533 6.8533 7.0170 7.0170 7.3875 7.3875 7.8807 7.8807 8.1119 8.1119 8.3034 8.3034 8.4152 8.4152 8.6734 8.6734 8.7967 8.7967 9.8103 9.8103 10.7644 10.7644 10.9867 10.9867 11.9425 11.9425 12.0996 12.0996 12.3314 12.3314 13.0387 13.0387 13.8193 13.8193 13.9686 13.9686 14.6038 14.6038 14.8127 14.8127 k = 0.4097 0.4450-0.0000 ( 8016 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0329 -20.0329 -19.9913 -19.9913 -19.9163 -19.9163 -19.6414 -19.6414 5.5103 5.5103 5.9632 5.9632 6.7772 6.7772 6.8552 6.8552 7.0156 7.0156 7.4089 7.4089 7.8952 7.8952 8.1003 8.1003 8.2987 8.2987 8.4085 8.4085 8.6874 8.6874 8.8059 8.8059 9.7665 9.7665 10.7302 10.7302 10.9279 10.9279 11.9437 11.9437 12.1178 12.1178 12.3488 12.3488 13.0490 13.0490 13.8119 13.8119 13.9668 13.9668 14.6421 14.6421 14.8274 14.8274 k = 0.4028 0.4571-0.0000 ( 8020 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0329 -20.0329 -19.9913 -19.9913 -19.9162 -19.9162 -19.6414 -19.6414 5.5313 5.5313 5.9639 5.9639 6.7803 6.7803 6.8570 6.8570 7.0142 7.0142 7.4306 7.4306 7.9086 7.9086 8.0894 8.0894 8.2934 8.2934 8.4023 8.4023 8.7027 8.7027 8.8145 8.8145 9.7179 9.7179 10.6978 10.6978 10.8754 10.8754 11.9438 11.9438 12.1309 12.1309 12.3712 12.3712 13.0579 13.0579 13.8048 13.8048 13.9628 13.9628 14.6805 14.6805 14.8425 14.8425 k = 0.3958 0.4691-0.0000 ( 8020 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5846 -20.5846 -20.0329 -20.0329 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.5530 5.5530 5.9635 5.9635 6.7846 6.7846 6.8584 6.8584 7.0129 7.0129 7.4523 7.4523 7.9203 7.9203 8.0800 8.0800 8.2876 8.2876 8.3965 8.3965 8.7191 8.7191 8.8225 8.8225 9.6653 9.6653 10.6677 10.6677 10.8298 10.8298 11.9445 11.9445 12.1382 12.1382 12.3972 12.3972 13.0654 13.0654 13.7984 13.7984 13.9568 13.9568 14.7184 14.7184 14.8578 14.8578 k = 0.3889 0.4811-0.0000 ( 8012 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5846 -20.5846 -20.0330 -20.0330 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.5753 5.5753 5.9619 5.9619 6.7900 6.7900 6.8595 6.8595 7.0116 7.0116 7.4738 7.4738 7.9295 7.9295 8.0724 8.0724 8.2816 8.2816 8.3912 8.3912 8.7362 8.7362 8.8300 8.8300 9.6099 9.6099 10.6402 10.6402 10.7909 10.7909 11.9465 11.9465 12.1403 12.1403 12.4249 12.4249 13.0719 13.0719 13.7929 13.7929 13.9487 13.9487 14.7548 14.7548 14.8731 14.8731 k = 0.3819 0.4932-0.0000 ( 8008 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5846 -20.5846 -20.0330 -20.0330 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.5977 5.5977 5.9590 5.9590 6.7962 6.7962 6.8602 6.8602 7.0106 7.0106 7.4946 7.4946 7.9359 7.9359 8.0668 8.0668 8.2757 8.2757 8.3864 8.3864 8.7536 8.7536 8.8374 8.8374 9.5531 9.5531 10.6157 10.6157 10.7582 10.7582 11.9503 11.9503 12.1381 12.1381 12.4524 12.4524 13.0773 13.0773 13.7888 13.7888 13.9388 13.9388 14.7891 14.7891 14.8880 14.8880 k = 0.3750 0.5052-0.0000 ( 8002 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5846 -20.5846 -20.0330 -20.0330 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.6200 5.6200 5.9548 5.9548 6.8030 6.8030 6.8605 6.8605 7.0098 7.0098 7.5142 7.5142 7.9400 7.9400 8.0627 8.0627 8.2702 8.2702 8.3820 8.3820 8.7704 8.7704 8.8449 8.8449 9.4967 9.4967 10.5944 10.5944 10.7311 10.7311 11.9563 11.9563 12.1324 12.1324 12.4780 12.4780 13.0818 13.0818 13.7865 13.7865 13.9273 13.9273 14.8205 14.8205 14.9022 14.9022 k = 0.3681 0.5172-0.0000 ( 7994 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5846 -20.5846 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6417 5.6417 5.9496 5.9496 6.8101 6.8101 6.8602 6.8602 7.0092 7.0092 7.5320 7.5320 7.9430 7.9430 8.0587 8.0587 8.2659 8.2659 8.3780 8.3780 8.7857 8.7857 8.8531 8.8531 9.4427 9.4427 10.5767 10.5767 10.7091 10.7091 11.9645 11.9645 12.1237 12.1237 12.5005 12.5005 13.0856 13.0856 13.7863 13.7863 13.9145 13.9145 14.8485 14.8485 14.9153 14.9153 k = 0.3611 0.5292-0.0000 ( 7984 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6621 5.6621 5.9436 5.9436 6.8171 6.8171 6.8595 6.8595 7.0088 7.0088 7.5472 7.5472 7.9466 7.9466 8.0532 8.0532 8.2630 8.2630 8.3743 8.3743 8.7984 8.7984 8.8625 8.8625 9.3934 9.3934 10.5624 10.5624 10.6917 10.6917 11.9753 11.9753 12.1125 12.1125 12.5193 12.5193 13.0886 13.0886 13.7885 13.7885 13.9007 13.9007 14.8727 14.8727 14.9265 14.9265 k = 0.3542 0.5413-0.0000 ( 7984 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6804 5.6804 5.9372 5.9372 6.8236 6.8236 6.8584 6.8584 7.0086 7.0086 7.5592 7.5592 7.9526 7.9526 8.0448 8.0448 8.2617 8.2617 8.3710 8.3710 8.8075 8.8075 8.8727 8.8727 9.3510 9.3510 10.5516 10.5516 10.6784 10.6784 11.9885 11.9885 12.0988 12.0988 12.5338 12.5338 13.0909 13.0909 13.7932 13.7932 13.8864 13.8864 14.8929 14.8929 14.9354 14.9354 k = 0.3472 0.5533-0.0000 ( 7992 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6954 5.6954 5.9313 5.9313 6.8292 6.8292 6.8570 6.8570 7.0086 7.0086 7.5674 7.5674 7.9622 7.9622 8.0328 8.0328 8.2618 8.2618 8.3683 8.3683 8.8132 8.8132 8.8824 8.8824 9.3182 9.3182 10.5440 10.5440 10.6690 10.6690 12.0044 12.0044 12.0828 12.0828 12.5439 12.5439 13.0925 13.0925 13.8001 13.8001 13.8722 13.8722 14.9092 14.9092 14.9409 14.9409 k = 0.3403 0.5653-0.0000 ( 7998 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0332 -20.0332 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.7056 5.7056 5.9268 5.9268 6.8332 6.8332 6.8557 6.8557 7.0086 7.0086 7.5719 7.5719 7.9758 7.9758 8.0175 8.0175 8.2626 8.2626 8.3664 8.3664 8.8162 8.8162 8.8894 8.8894 9.2974 9.2974 10.5397 10.5397 10.6634 10.6634 12.0227 12.0227 12.0645 12.0645 12.5497 12.5497 13.0935 13.0935 13.8080 13.8080 13.8598 13.8598 14.9215 14.9215 14.9423 14.9423 k = 0.3333 0.5774-0.0000 ( 8004 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0332 -20.0332 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.7094 5.7094 5.9251 5.9251 6.8347 6.8347 6.8551 6.8551 7.0086 7.0086 7.5732 7.5732 7.9881 7.9881 8.0046 8.0046 8.2631 8.2631 8.3657 8.3657 8.8171 8.8171 8.8919 8.8919 9.2903 9.2903 10.5383 10.5383 10.6615 10.6615 12.0413 12.0413 12.0458 12.0458 12.5515 12.5515 13.0938 13.0938 13.8123 13.8123 13.8539 13.8539 14.9276 14.9276 14.9409 14.9409 k = 0.3333 0.5774-0.0000 ( 8004 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0332 -20.0332 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.7094 5.7094 5.9251 5.9251 6.8347 6.8347 6.8551 6.8551 7.0086 7.0086 7.5732 7.5732 7.9881 7.9881 8.0046 8.0046 8.2631 8.2631 8.3657 8.3657 8.8171 8.8171 8.8919 8.8919 9.2903 9.2903 10.5383 10.5383 10.6615 10.6615 12.0413 12.0413 12.0458 12.0458 12.5515 12.5515 13.0938 13.0938 13.8123 13.8123 13.8539 13.8539 14.9276 14.9276 14.9409 14.9409 k = 0.3264 0.5653-0.0000 ( 8000 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0332 -20.0332 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.7053 5.7053 5.9270 5.9270 6.8332 6.8332 6.8556 6.8556 7.0086 7.0086 7.5723 7.5723 7.9727 7.9727 8.0206 8.0206 8.2624 8.2624 8.3665 8.3665 8.8163 8.8163 8.8895 8.8895 9.2973 9.2973 10.5396 10.5396 10.6634 10.6634 12.0202 12.0202 12.0668 12.0668 12.5499 12.5499 13.0935 13.0935 13.8072 13.8072 13.8607 13.8607 14.9194 14.9194 14.9441 14.9441 k = 0.3194 0.5533-0.0000 ( 8004 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6928 5.6928 5.9327 5.9327 6.8290 6.8290 6.8567 6.8567 7.0084 7.0084 7.5702 7.5702 7.9494 7.9494 8.0456 8.0456 8.2599 8.2599 8.3689 8.3689 8.8144 8.8144 8.8829 8.8829 9.3173 9.3173 10.5434 10.5434 10.6692 10.6692 11.9944 11.9944 12.0920 12.0920 12.5457 12.5457 13.0924 13.0924 13.7960 13.7960 13.8767 13.8767 14.8992 14.8992 14.9490 14.9490 k = 0.3125 0.5413-0.0000 ( 8006 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6722 5.6722 5.9414 5.9414 6.8227 6.8227 6.8576 6.8576 7.0082 7.0082 7.5682 7.5682 7.9244 7.9244 8.0728 8.0728 8.2556 8.2556 8.3729 8.3729 8.8114 8.8114 8.8738 8.8738 9.3486 9.3486 10.5495 10.5495 10.6790 10.6790 11.9657 11.9657 12.1190 12.1190 12.5399 12.5399 13.0907 13.0907 13.7834 13.7834 13.8975 13.8975 14.8701 14.8701 14.9530 14.9530 k = 0.3056 0.5292-0.0000 ( 8006 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6442 5.6442 5.9519 5.9519 6.8146 6.8146 6.8582 6.8582 7.0077 7.0077 7.5674 7.5674 7.8988 7.8988 8.1006 8.1006 8.2501 8.2501 8.3779 8.3779 8.8075 8.8075 8.8637 8.8637 9.3892 9.3892 10.5575 10.5575 10.6930 10.6930 11.9341 11.9341 12.1473 12.1473 12.5335 12.5335 13.0881 13.0881 13.7711 13.7711 13.9213 13.9213 14.8336 14.8336 14.9561 14.9561 k = 0.2986 0.5172-0.0000 ( 7996 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5846 -20.5846 -20.0331 -20.0331 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.6097 5.6097 5.9632 5.9632 6.8050 6.8050 6.8582 6.8582 7.0072 7.0072 7.5684 7.5684 7.8733 7.8733 8.1270 8.1270 8.2443 8.2443 8.3837 8.3837 8.8029 8.8029 8.8538 8.8538 9.4377 9.4377 10.5672 10.5672 10.7114 10.7114 11.8993 11.8993 12.1764 12.1764 12.5279 12.5279 13.0847 13.0847 13.7601 13.7601 13.9473 13.9473 14.7919 14.7919 14.9584 14.9584 k = 0.2917 0.5052-0.0000 ( 7988 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5846 -20.5846 -20.0330 -20.0330 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.5693 5.5693 5.9744 5.9744 6.7941 6.7941 6.8579 6.8579 7.0064 7.0064 7.5718 7.5718 7.8486 7.8486 8.1493 8.1493 8.2404 8.2404 8.3899 8.3899 8.7977 8.7977 8.8450 8.8450 9.4929 9.4929 10.5784 10.5784 10.7342 10.7342 11.8613 11.8613 12.2055 12.2055 12.5246 12.5246 13.0804 13.0804 13.7509 13.7509 13.9753 13.9753 14.7472 14.7472 14.9602 14.9602 k = 0.2847 0.4932-0.0000 ( 7992 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5846 -20.5846 -20.0330 -20.0330 -19.9914 -19.9914 -19.9162 -19.9162 -19.6414 -19.6414 5.5235 5.5235 5.9849 5.9849 6.7822 6.7822 6.8573 6.8573 7.0055 7.0055 7.5778 7.5778 7.8249 7.8249 8.1631 8.1631 8.2423 8.2423 8.3960 8.3960 8.7920 8.7920 8.8377 8.8377 9.5543 9.5543 10.5910 10.5910 10.7614 10.7614 11.8199 11.8199 12.2334 12.2334 12.5253 12.5253 13.0751 13.0751 13.7437 13.7437 14.0049 14.0049 14.7017 14.7017 14.9617 14.9617 k = 0.2778 0.4811-0.0000 ( 7982 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0329 -20.0329 -19.9913 -19.9913 -19.9163 -19.9163 -19.6414 -19.6414 5.4727 5.4727 5.9942 5.9942 6.7697 6.7697 6.8565 6.8565 7.0043 7.0043 7.5864 7.5864 7.8029 7.8029 8.1655 8.1655 8.2524 8.2524 8.4021 8.4021 8.7857 8.7857 8.8323 8.8323 9.6213 9.6213 10.6048 10.6048 10.7930 10.7930 11.7749 11.7749 12.2589 12.2589 12.5318 12.5318 13.0688 13.0688 13.7390 13.7390 14.0360 14.0360 14.6569 14.6569 14.9632 14.9632 k = 0.2708 0.4691-0.0000 ( 7988 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5845 -20.5845 -20.0328 -20.0328 -19.9913 -19.9913 -19.9163 -19.9163 -19.6414 -19.6414 5.4175 5.4175 6.0021 6.0021 6.7569 6.7569 6.8555 6.8555 7.0029 7.0029 7.5971 7.5971 7.7828 7.7828 8.1592 8.1592 8.2676 8.2676 8.4079 8.4079 8.7790 8.7790 8.8289 8.8289 9.6936 9.6936 10.6197 10.6197 10.8287 10.8287 11.7264 11.7264 12.2811 12.2811 12.5456 12.5456 13.0614 13.0614 13.7371 13.7371 14.0685 14.0685 14.6142 14.6142 14.9647 14.9647 k = 0.2639 0.4571-0.0000 ( 7990 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6118 -20.6118 -20.5844 -20.5844 -20.0327 -20.0327 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.3582 5.3582 6.0083 6.0083 6.7443 6.7443 6.8543 6.8543 7.0013 7.0013 7.6092 7.6092 7.7655 7.7655 8.1482 8.1482 8.2833 8.2833 8.4137 8.4137 8.7719 8.7719 8.8278 8.8278 9.7708 9.7708 10.6359 10.6359 10.8681 10.8681 11.6745 11.6745 12.2995 12.2995 12.5677 12.5677 13.0529 13.0529 13.7383 13.7383 14.1023 14.1023 14.5743 14.5743 14.9664 14.9664 k = 0.2569 0.4450-0.0000 ( 7974 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5844 -20.5844 -20.0326 -20.0326 -19.9912 -19.9912 -19.9163 -19.9163 -19.6414 -19.6414 5.2953 5.2953 6.0129 6.0129 6.7323 6.7323 6.8527 6.8527 6.9994 6.9994 7.6215 7.6215 7.7516 7.7516 8.1349 8.1349 8.2969 8.2969 8.4195 8.4195 8.7645 8.7645 8.8293 8.8293 9.8528 9.8528 10.6531 10.6531 10.9110 10.9110 11.6193 11.6193 12.3147 12.3147 12.5976 12.5976 13.0435 13.0435 13.7428 13.7428 14.1375 14.1375 14.5377 14.5377 14.9684 14.9684 k = 0.2500 0.4330-0.0000 ( 7976 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6414 -19.6414 5.2292 5.2292 6.0158 6.0158 6.7210 6.7210 6.8508 6.8508 6.9973 6.9973 7.6321 7.6321 7.7426 7.7426 8.1202 8.1202 8.3072 8.3072 8.4257 8.4257 8.7567 8.7567 8.8334 8.8334 9.9391 9.9391 10.6714 10.6714 10.9566 10.9566 11.5612 11.5612 12.3281 12.3281 12.6344 12.6344 13.0331 13.0331 13.7508 13.7508 14.1741 14.1741 14.5047 14.5047 14.9709 14.9709 k = 0.2431 0.4210-0.0000 ( 7982 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6117 -20.6117 -20.5842 -20.5842 -20.0324 -20.0324 -19.9910 -19.9910 -19.9163 -19.9163 -19.6413 -19.6413 5.1605 5.1605 6.0170 6.0170 6.7107 6.7107 6.8485 6.8485 6.9950 6.9950 7.6389 7.6389 7.7402 7.7402 8.1048 8.1048 8.3135 8.3135 8.4323 8.4323 8.7486 8.7486 8.8405 8.8405 10.0295 10.0295 10.6907 10.6907 11.0042 11.0042 11.5011 11.5011 12.3409 12.3409 12.6768 12.6768 13.0219 13.0219 13.7625 13.7625 14.2121 14.2121 14.4754 14.4754 14.9738 14.9738 k = 0.2361 0.4090-0.0000 ( 7994 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5841 -20.5841 -20.0323 -20.0323 -19.9909 -19.9909 -19.9163 -19.9163 -19.6413 -19.6413 5.0896 5.0896 6.0167 6.0167 6.7016 6.7016 6.8455 6.8455 6.9924 6.9924 7.6407 7.6407 7.7449 7.7449 8.0890 8.0890 8.3158 8.3158 8.4394 8.4394 8.7403 8.7403 8.8507 8.8507 10.1235 10.1235 10.7111 10.7111 11.0522 11.0522 11.4404 11.4404 12.3546 12.3546 12.7234 12.7234 13.0101 13.0101 13.7781 13.7781 14.2515 14.2515 14.4497 14.4497 14.9774 14.9774 k = 0.2292 0.3969-0.0000 ( 7994 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6116 -20.6116 -20.5840 -20.5840 -20.0322 -20.0322 -19.9908 -19.9908 -19.9163 -19.9163 -19.6413 -19.6413 5.0171 5.0171 6.0149 6.0149 6.6936 6.6936 6.8417 6.8417 6.9897 6.9897 7.6385 7.6385 7.7552 7.7552 8.0731 8.0731 8.3143 8.3143 8.4467 8.4467 8.7316 8.7316 8.8644 8.8644 10.2206 10.2206 10.7324 10.7324 11.0969 11.0969 11.3826 11.3826 12.3699 12.3699 12.7733 12.7733 12.9980 12.9980 13.7977 13.7977 14.2926 14.2926 14.4276 14.4276 14.9816 14.9816 k = 0.2222 0.3849-0.0000 ( 7992 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6115 -20.6115 -20.5839 -20.5839 -20.0320 -20.0320 -19.9907 -19.9907 -19.9164 -19.9164 -19.6413 -19.6413 4.9434 4.9434 6.0117 6.0117 6.6869 6.6869 6.8371 6.8371 6.9869 6.9869 7.6342 7.6342 7.7685 7.7685 8.0572 8.0572 8.3095 8.3095 8.4538 8.4538 8.7228 8.7228 8.8817 8.8817 10.3200 10.3200 10.7547 10.7547 11.1288 11.1288 11.3377 11.3377 12.3876 12.3876 12.8255 12.8255 12.9860 12.9860 13.8215 13.8215 14.3351 14.3351 14.4089 14.4089 14.9864 14.9864 k = 0.2153 0.3729-0.0000 ( 7988 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6115 -20.6115 -20.5838 -20.5838 -20.0319 -20.0319 -19.9906 -19.9906 -19.9164 -19.9164 -19.6413 -19.6413 4.8689 4.8689 6.0072 6.0072 6.6813 6.6813 6.8316 6.8316 6.9841 6.9841 7.6294 7.6294 7.7828 7.7828 8.0416 8.0416 8.3022 8.3022 8.4606 8.4606 8.7138 8.7138 8.9028 8.9028 10.4210 10.4210 10.7780 10.7780 11.1268 11.1268 11.3268 11.3268 12.4079 12.4079 12.8785 12.8785 12.9752 12.9752 13.8496 13.8496 14.3778 14.3778 14.3949 14.3949 14.9920 14.9920 k = 0.2083 0.3608-0.0000 ( 7988 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6114 -20.6114 -20.5837 -20.5837 -20.0317 -20.0317 -19.9905 -19.9905 -19.9164 -19.9164 -19.6412 -19.6412 4.7941 4.7941 6.0017 6.0017 6.6769 6.6769 6.8249 6.8249 6.9811 6.9811 7.6252 7.6252 7.7964 7.7964 8.0264 8.0264 8.2927 8.2927 8.4666 8.4666 8.7048 8.7048 8.9279 8.9279 10.5222 10.5222 10.8022 10.8022 11.0856 11.0856 11.3560 11.3560 12.4311 12.4311 12.9254 12.9254 12.9724 12.9724 13.8821 13.8821 14.3786 14.3786 14.4273 14.4273 14.9984 14.9984 k = 0.2014 0.3488-0.0000 ( 7984 PWs) bands (ev): -43.8956 -43.8956 -43.8572 -43.8572 -20.6114 -20.6114 -20.5836 -20.5836 -20.0315 -20.0315 -19.9904 -19.9904 -19.9164 -19.9164 -19.6412 -19.6412 4.7193 4.7193 5.9952 5.9952 6.6736 6.6736 6.8172 6.8172 6.9782 6.9782 7.6221 7.6221 7.8084 7.8084 8.0119 8.0119 8.2816 8.2816 8.4718 8.4718 8.6957 8.6957 8.9569 8.9569 10.6209 10.6209 10.8273 10.8273 11.0271 11.0271 11.4054 11.4054 12.4572 12.4572 12.9366 12.9366 13.0071 13.0071 13.9193 13.9193 14.3683 14.3683 14.4753 14.4753 15.0056 15.0056 k = 0.1944 0.3368-0.0000 ( 7984 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6113 -20.6113 -20.5835 -20.5835 -20.0314 -20.0314 -19.9903 -19.9903 -19.9165 -19.9165 -19.6412 -19.6412 4.6448 4.6448 5.9879 5.9879 6.6713 6.6713 6.8083 6.8083 6.9753 6.9753 7.6202 7.6202 7.8182 7.8182 7.9982 7.9982 8.2693 8.2693 8.4760 8.4760 8.6869 8.6869 8.9898 8.9898 10.7101 10.7101 10.8531 10.8531 10.9698 10.9698 11.4632 11.4632 12.4863 12.4863 12.9288 12.9288 13.0627 13.0627 13.9613 13.9613 14.3599 14.3599 14.5256 14.5256 15.0137 15.0137 k = 0.1875 0.3248-0.0000 ( 7990 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6113 -20.6113 -20.5834 -20.5834 -20.0312 -20.0312 -19.9902 -19.9902 -19.9165 -19.9165 -19.6411 -19.6411 4.5711 4.5711 5.9799 5.9799 6.6698 6.6698 6.7984 6.7984 6.9723 6.9723 7.6199 7.6199 7.8254 7.8254 7.9853 7.9853 8.2562 8.2562 8.4790 8.4790 8.6783 8.6783 9.0264 9.0264 10.7621 10.7621 10.8783 10.8783 10.9459 10.9459 11.5254 11.5254 12.5181 12.5181 12.9191 12.9191 13.1219 13.1219 14.0082 14.0082 14.3533 14.3533 14.5782 14.5782 15.0226 15.0226 k = 0.1806 0.3127-0.0000 ( 7992 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6112 -20.6112 -20.5833 -20.5833 -20.0310 -20.0310 -19.9900 -19.9900 -19.9165 -19.9165 -19.6411 -19.6411 4.4983 4.4983 5.9713 5.9713 6.6691 6.6691 6.7874 6.7874 6.9694 6.9694 7.6211 7.6211 7.8299 7.8299 7.9736 7.9736 8.2427 8.2427 8.4808 8.4808 8.6702 8.6702 9.0665 9.0665 10.7372 10.7372 10.9043 10.9043 10.9941 10.9941 11.5907 11.5907 12.5524 12.5524 12.9099 12.9099 13.1824 13.1824 14.0602 14.0602 14.3483 14.3483 14.6329 14.6329 15.0323 15.0323 k = 0.1736 0.3007-0.0000 ( 7984 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6111 -20.6111 -20.5831 -20.5831 -20.0308 -20.0308 -19.9899 -19.9899 -19.9165 -19.9165 -19.6411 -19.6411 4.4268 4.4268 5.9622 5.9622 6.6691 6.6691 6.7754 6.7754 6.9663 6.9663 7.6238 7.6238 7.8318 7.8318 7.9629 7.9629 8.2290 8.2290 8.4814 8.4814 8.6627 8.6627 9.1096 9.1096 10.6730 10.6730 10.9325 10.9325 11.0752 11.0752 11.6590 11.6590 12.5891 12.5891 12.9019 12.9019 13.2437 13.2437 14.1174 14.1174 14.3447 14.3447 14.6899 14.6899 15.0429 15.0429 k = 0.1667 0.2887-0.0000 ( 7970 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6111 -20.6111 -20.5830 -20.5830 -20.0306 -20.0306 -19.9898 -19.9898 -19.9166 -19.9166 -19.6411 -19.6411 4.3567 4.3567 5.9527 5.9527 6.6695 6.6695 6.7627 6.7627 6.9632 6.9632 7.6280 7.6280 7.8312 7.8312 7.9532 7.9532 8.2154 8.2154 8.4806 8.4806 8.6562 8.6562 9.1555 9.1555 10.5985 10.5985 10.9613 10.9613 11.1607 11.1607 11.7306 11.7306 12.6276 12.6276 12.8958 12.8958 13.3054 13.3054 14.1799 14.1799 14.3421 14.3421 14.7493 14.7493 15.0545 15.0545 k = 0.1597 0.2766-0.0000 ( 7982 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6110 -20.6110 -20.5829 -20.5829 -20.0305 -20.0305 -19.9896 -19.9896 -19.9166 -19.9166 -19.6410 -19.6410 4.2883 4.2883 5.9430 5.9430 6.6702 6.6702 6.7495 6.7495 6.9600 6.9600 7.6333 7.6333 7.8288 7.8288 7.9445 7.9445 8.2019 8.2019 8.4784 8.4784 8.6507 8.6507 9.2034 9.2034 10.5208 10.5208 10.9906 10.9906 11.2426 11.2426 11.8058 11.8058 12.6675 12.6675 12.8921 12.8921 13.3672 13.3672 14.2477 14.2477 14.3404 14.3404 14.8108 14.8108 15.0670 15.0670 k = 0.1528 0.2646-0.0000 ( 7990 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6110 -20.6110 -20.5828 -20.5828 -20.0303 -20.0303 -19.9895 -19.9895 -19.9166 -19.9166 -19.6410 -19.6410 4.2218 4.2218 5.9332 5.9332 6.6709 6.6709 6.7360 6.7360 6.9567 6.9567 7.6396 7.6396 7.8252 7.8252 7.9365 7.9365 8.1888 8.1888 8.4748 8.4748 8.6463 8.6463 9.2530 9.2530 10.4420 10.4420 11.0205 11.0205 11.3179 11.3179 11.8849 11.8849 12.7076 12.7076 12.8916 12.8916 13.4291 13.4291 14.3210 14.3210 14.3394 14.3394 14.8745 14.8745 15.0805 15.0805 k = 0.1458 0.2526-0.0000 ( 7976 PWs) bands (ev): -43.8957 -43.8957 -43.8572 -43.8572 -20.6109 -20.6109 -20.5826 -20.5826 -20.0301 -20.0301 -19.9894 -19.9894 -19.9166 -19.9166 -19.6410 -19.6410 4.1574 4.1574 5.9233 5.9233 6.6711 6.6711 6.7229 6.7229 6.9533 6.9533 7.6465 7.6465 7.8210 7.8210 7.9292 7.9292 8.1761 8.1761 8.4697 8.4697 8.6433 8.6433 9.3034 9.3034 10.3633 10.3633 11.0507 11.0507 11.3851 11.3851 11.9678 11.9678 12.7466 12.7466 12.8960 12.8960 13.4907 13.4907 14.3390 14.3390 14.3996 14.3996 14.9401 14.9401 15.0954 15.0954 k = 0.1389 0.2406-0.0000 ( 7974 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6108 -20.6108 -20.5825 -20.5825 -20.0299 -20.0299 -19.9892 -19.9892 -19.9167 -19.9167 -19.6409 -19.6409 4.0951 4.0951 5.9133 5.9133 6.6696 6.6696 6.7113 6.7113 6.9497 6.9497 7.6535 7.6535 7.8173 7.8173 7.9226 7.9226 8.1640 8.1640 8.4634 8.4634 8.6417 8.6417 9.3540 9.3540 10.2854 10.2854 11.0815 11.0815 11.4437 11.4437 12.0537 12.0537 12.7816 12.7816 12.9077 12.9077 13.5519 13.5519 14.3390 14.3390 14.4833 14.4833 15.0067 15.0067 15.1124 15.1124 k = 0.1319 0.2285-0.0000 ( 7986 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6108 -20.6108 -20.5824 -20.5824 -20.0297 -20.0297 -19.9891 -19.9891 -19.9167 -19.9167 -19.6409 -19.6409 4.0352 4.0352 5.9035 5.9035 6.6646 6.6646 6.7032 6.7032 6.9460 6.9460 7.6597 7.6597 7.8149 7.8149 7.9165 7.9165 8.1523 8.1523 8.4559 8.4559 8.6413 8.6413 9.4039 9.4039 10.2091 10.2091 11.1125 11.1125 11.4939 11.4939 12.1416 12.1416 12.8098 12.8098 12.9298 12.9298 13.6125 13.6125 14.3393 14.3393 14.5719 14.5719 15.0707 15.0707 15.1349 15.1349 k = 0.1250 0.2165-0.0000 ( 7994 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6107 -20.6107 -20.5822 -20.5822 -20.0295 -20.0295 -19.9890 -19.9890 -19.9167 -19.9167 -19.6409 -19.6409 3.9778 3.9778 5.8938 5.8938 6.6552 6.6552 6.6995 6.6995 6.9423 6.9423 7.6643 7.6643 7.8148 7.8148 7.9112 7.9112 8.1413 8.1413 8.4474 8.4474 8.6423 8.6423 9.4520 9.4520 10.1354 10.1354 11.1439 11.1439 11.5364 11.5364 12.2300 12.2300 12.8304 12.8304 12.9626 12.9626 13.6724 13.6724 14.3398 14.3398 14.6648 14.6648 15.1181 15.1181 15.1766 15.1766 k = 0.1181 0.2045-0.0000 ( 8004 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6107 -20.6107 -20.5821 -20.5821 -20.0293 -20.0293 -19.9888 -19.9888 -19.9167 -19.9167 -19.6409 -19.6409 3.9229 3.9229 5.8844 5.8844 6.6427 6.6427 6.6990 6.6990 6.9384 6.9384 7.6667 7.6667 7.8179 7.8179 7.9065 7.9065 8.1308 8.1308 8.4380 8.4380 8.6445 8.6445 9.4967 9.4967 10.0654 10.0654 11.1754 11.1754 11.5721 11.5721 12.3170 12.3170 12.8466 12.8466 13.0033 13.0033 13.7312 13.7312 14.3405 14.3405 14.7615 14.7615 15.1449 15.1449 15.2397 15.2397 k = 0.1111 0.1925-0.0000 ( 8004 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6106 -20.6106 -20.5820 -20.5820 -20.0291 -20.0291 -19.9887 -19.9887 -19.9168 -19.9168 -19.6408 -19.6408 3.8707 3.8707 5.8752 5.8752 6.6287 6.6287 6.7002 6.7002 6.9345 6.9345 7.6663 7.6663 7.8246 7.8246 7.9028 7.9028 8.1209 8.1209 8.4280 8.4280 8.6478 8.6478 9.5355 9.5355 10.0015 10.0015 11.2069 11.2069 11.6018 11.6018 12.4007 12.4007 12.8620 12.8620 13.0484 13.0484 13.7889 13.7889 14.3412 14.3412 14.8605 14.8605 15.1667 15.1667 15.2973 15.2973 k = 0.1042 0.1804-0.0000 ( 8012 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6105 -20.6105 -20.5819 -20.5819 -20.0289 -20.0289 -19.9886 -19.9886 -19.9168 -19.9168 -19.6408 -19.6408 3.8213 3.8213 5.8663 5.8663 6.6142 6.6142 6.7022 6.7022 6.9306 6.9306 7.6633 7.6633 7.8348 7.8348 7.9001 7.9001 8.1117 8.1117 8.4176 8.4176 8.6522 8.6522 9.5644 9.5644 9.9475 9.9475 11.2382 11.2382 11.6266 11.6266 12.4791 12.4791 12.8794 12.8794 13.0957 13.0957 13.8452 13.8452 14.3419 14.3419 14.9598 14.9598 15.1896 15.1896 15.3177 15.3177 k = 0.0972 0.1684-0.0000 ( 8016 PWs) bands (ev): -43.8958 -43.8958 -43.8572 -43.8572 -20.6105 -20.6105 -20.5818 -20.5818 -20.0288 -20.0288 -19.9885 -19.9885 -19.9168 -19.9168 -19.6408 -19.6408 3.7747 3.7747 5.8578 5.8578 6.5996 6.5996 6.7045 6.7045 6.9267 6.9267 7.6580 7.6580 7.8476 7.8476 7.8987 7.8987 8.1031 8.1031 8.4070 8.4070 8.6577 8.6577 9.5770 9.5770 9.9095 9.9095 11.2691 11.2691 11.6473 11.6473 12.5497 12.5497 12.9009 12.9009 13.1437 13.1437 13.8998 13.8998 14.3427 14.3427 15.0540 15.0540 15.2185 15.2185 15.3228 15.3228 k = 0.0903 0.1564-0.0000 ( 8004 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6104 -20.6104 -20.5817 -20.5817 -20.0286 -20.0286 -19.9884 -19.9884 -19.9168 -19.9168 -19.6408 -19.6408 3.7310 3.7310 5.8497 5.8497 6.5854 6.5854 6.7069 6.7069 6.9229 6.9229 7.6512 7.6512 7.8616 7.8616 7.8993 7.8993 8.0952 8.0952 8.3962 8.3962 8.6644 8.6644 9.5675 9.5675 9.8929 9.8929 11.2993 11.2993 11.6647 11.6647 12.6104 12.6104 12.9283 12.9283 13.1917 13.1917 13.9525 13.9525 14.3434 14.3434 15.1312 15.1312 15.2638 15.2638 15.3261 15.3261 k = 0.0833 0.1443-0.0000 ( 8004 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6104 -20.6104 -20.5816 -20.5816 -20.0285 -20.0285 -19.9882 -19.9882 -19.9168 -19.9168 -19.6407 -19.6407 3.6904 3.6904 5.8421 5.8421 6.5717 6.5717 6.7093 6.7093 6.9191 6.9191 7.6433 7.6433 7.8742 7.8742 7.9038 7.9038 8.0881 8.0881 8.3855 8.3855 8.6721 8.6721 9.5365 9.5365 9.8971 9.8971 11.3285 11.3285 11.6795 11.6795 12.6597 12.6597 12.9624 12.9624 13.2390 13.2390 14.0031 14.0031 14.3441 14.3441 15.1793 15.1793 15.3186 15.3186 15.3465 15.3465 k = 0.0764 0.1323-0.0000 ( 8008 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5815 -20.5815 -20.0283 -20.0283 -19.9881 -19.9881 -19.9169 -19.9169 -19.6407 -19.6407 3.6528 3.6528 5.8350 5.8350 6.5586 6.5586 6.7117 6.7117 6.9155 6.9155 7.6349 7.6349 7.8820 7.8820 7.9147 7.9147 8.0820 8.0820 8.3750 8.3750 8.6811 8.6811 9.4910 9.4910 9.9150 9.9150 11.3563 11.3563 11.6926 11.6926 12.6976 12.6976 13.0027 13.0027 13.2849 13.2849 14.0512 14.0512 14.3449 14.3449 15.2080 15.2080 15.3254 15.3254 15.4301 15.4301 k = 0.0694 0.1203-0.0000 ( 8009 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5814 -20.5814 -20.0282 -20.0282 -19.9881 -19.9881 -19.9169 -19.9169 -19.6407 -19.6407 3.6183 3.6183 5.8284 5.8284 6.5463 6.5463 6.7140 6.7140 6.9121 6.9121 7.6264 7.6264 7.8858 7.8858 7.9305 7.9305 8.0768 8.0768 8.3648 8.3648 8.6914 8.6914 9.4379 9.4379 9.9394 9.9394 11.3823 11.3823 11.7043 11.7043 12.7259 12.7259 13.0470 13.0470 13.3289 13.3289 14.0965 14.0965 14.3456 14.3456 15.2285 15.2285 15.3275 15.3275 15.5201 15.5201 k = 0.0625 0.1083-0.0000 ( 8021 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6103 -20.6103 -20.5813 -20.5813 -20.0281 -20.0281 -19.9880 -19.9880 -19.9169 -19.9169 -19.6407 -19.6407 3.5869 3.5869 5.8223 5.8223 6.5348 6.5348 6.7161 6.7161 6.9088 6.9088 7.6181 7.6181 7.8882 7.8882 7.9478 7.9478 8.0730 8.0730 8.3551 8.3551 8.7032 8.7032 9.3815 9.3815 9.9661 9.9661 11.4062 11.4062 11.7153 11.7153 12.7467 12.7467 13.0926 13.0926 13.3704 13.3704 14.1387 14.1387 14.3465 14.3465 15.2451 15.2451 15.3293 15.3293 15.6047 15.6047 k = 0.0556 0.0962-0.0000 ( 8021 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5812 -20.5812 -20.0279 -20.0279 -19.9879 -19.9879 -19.9169 -19.9169 -19.6407 -19.6407 3.5588 3.5588 5.8168 5.8168 6.5244 6.5244 6.7180 6.7180 6.9058 6.9058 7.6101 7.6101 7.8903 7.8903 7.9645 7.9645 8.0709 8.0709 8.3460 8.3460 8.7167 8.7167 9.3243 9.3243 9.9926 9.9926 11.4275 11.4275 11.7258 11.7258 12.7624 12.7624 13.1370 13.1370 13.4091 13.4091 14.1775 14.1775 14.3475 14.3475 15.2591 15.2591 15.3314 15.3314 15.6773 15.6773 k = 0.0486 0.0842-0.0000 ( 8021 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5811 -20.5811 -20.0278 -20.0278 -19.9878 -19.9878 -19.9169 -19.9169 -19.6406 -19.6406 3.5338 3.5338 5.8119 5.8119 6.5149 6.5149 6.7197 6.7197 6.9031 6.9031 7.6028 7.6028 7.8922 7.8922 7.9792 7.9792 8.0709 8.0709 8.3376 8.3376 8.7320 8.7320 9.2676 9.2676 10.0174 10.0174 11.4461 11.4461 11.7361 11.7361 12.7743 12.7743 13.1785 13.1785 13.4445 13.4445 14.2122 14.2122 14.3488 14.3488 15.2710 15.2710 15.3338 15.3338 15.7256 15.7256 k = 0.0417 0.0722-0.0000 ( 8013 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6102 -20.6102 -20.5811 -20.5811 -20.0277 -20.0277 -19.9878 -19.9878 -19.9169 -19.9169 -19.6406 -19.6406 3.5122 3.5122 5.8076 5.8076 6.5067 6.5067 6.7212 6.7212 6.9007 6.9007 7.5961 7.5961 7.8942 7.8942 7.9909 7.9909 8.0734 8.0734 8.3300 8.3300 8.7494 8.7494 9.2125 9.2125 10.0398 10.0398 11.4618 11.4618 11.7460 11.7460 12.7835 12.7835 13.2159 13.2159 13.4760 13.4760 14.2426 14.2426 14.3505 14.3505 15.2808 15.2808 15.3367 15.3367 15.7316 15.7316 k = 0.0347 0.0601-0.0000 ( 8013 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5810 -20.5810 -20.0277 -20.0277 -19.9877 -19.9877 -19.9170 -19.9170 -19.6406 -19.6406 3.4938 3.4938 5.8040 5.8040 6.4995 6.4995 6.7225 6.7225 6.8986 6.8986 7.5904 7.5904 7.8960 7.8960 7.9991 7.9991 8.0784 8.0784 8.3233 8.3233 8.7690 8.7690 9.1595 9.1595 10.0593 10.0593 11.4746 11.4746 11.7554 11.7554 12.7907 12.7907 13.2484 13.2484 13.5033 13.5033 14.2679 14.2679 14.3530 14.3530 15.2884 15.2884 15.3400 15.3400 15.7096 15.7096 k = 0.0278 0.0481-0.0000 ( 8009 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5810 -20.5810 -20.0276 -20.0276 -19.9877 -19.9877 -19.9170 -19.9170 -19.6406 -19.6406 3.4787 3.4787 5.8010 5.8010 6.4937 6.4937 6.7236 6.7236 6.8968 6.8968 7.5855 7.5855 7.8977 7.8977 8.0042 8.0042 8.0849 8.0849 8.3177 8.3177 8.7909 8.7909 9.1093 9.1093 10.0755 10.0755 11.4846 11.4846 11.7640 11.7640 12.7962 12.7962 13.2756 13.2756 13.5261 13.5261 14.2878 14.2878 14.3564 14.3564 15.2942 15.2942 15.3436 15.3436 15.6819 15.6819 k = 0.0208 0.0361-0.0000 ( 8017 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0276 -20.0276 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4670 3.4670 5.7986 5.7986 6.4891 6.4891 6.7244 6.7244 6.8954 6.8954 7.5817 7.5817 7.8991 7.8991 8.0070 8.0070 8.0916 8.0916 8.3132 8.3132 8.8150 8.8150 9.0626 9.0626 10.0884 10.0884 11.4921 11.4921 11.7713 11.7713 12.8002 12.8002 13.2970 13.2970 13.5442 13.5442 14.3018 14.3018 14.3607 14.3607 15.2982 15.2982 15.3469 15.3469 15.6569 15.6569 k = 0.0139 0.0241-0.0000 ( 8021 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4586 3.4586 5.7969 5.7969 6.4857 6.4857 6.7250 6.7250 6.8944 6.8944 7.5789 7.5789 7.9002 7.9002 8.0084 8.0084 8.0974 8.0974 8.3100 8.3100 8.8403 8.8403 9.0207 9.0207 10.0976 10.0976 11.4973 11.4973 11.7768 11.7768 12.8030 12.8030 13.3124 13.3124 13.5572 13.5572 14.3106 14.3106 14.3652 14.3652 15.3008 15.3008 15.3497 15.3497 15.6376 15.6376 k = 0.0069 0.0120-0.0000 ( 8021 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4535 3.4535 5.7959 5.7959 6.4837 6.4837 6.7254 6.7254 6.8938 6.8938 7.5772 7.5772 7.9009 7.9009 8.0090 8.0090 8.1011 8.1011 8.3080 8.3080 8.8638 8.8638 8.9872 8.9872 10.1032 10.1032 11.5003 11.5003 11.7803 11.7803 12.8047 12.8047 13.3217 13.3217 13.5651 13.5651 14.3152 14.3152 14.3687 14.3687 15.3022 15.3022 15.3516 15.3516 15.6256 15.6256 k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4519 3.4519 5.7956 5.7956 6.4831 6.4831 6.7255 6.7255 6.8936 6.8936 7.5767 7.5767 7.9011 7.9011 8.0092 8.0092 8.1024 8.1024 8.3073 8.3073 8.8752 8.8752 8.9724 8.9724 10.1050 10.1050 11.5013 11.5013 11.7815 11.7815 12.8052 12.8052 13.3248 13.3248 13.5677 13.5677 14.3166 14.3166 14.3700 14.3700 15.3027 15.3027 15.3522 15.3522 15.6215 15.6215 k = 0.0000 0.0000 0.0000 ( 8017 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6101 -20.6101 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9170 -19.9170 -19.6406 -19.6406 3.4519 3.4519 5.7956 5.7956 6.4831 6.4831 6.7255 6.7255 6.8936 6.8936 7.5767 7.5767 7.9011 7.9011 8.0092 8.0092 8.1024 8.1024 8.3073 8.3073 8.8752 8.8752 8.9724 8.9724 10.1050 10.1050 11.5013 11.5013 11.7815 11.7815 12.8052 12.8052 13.3248 13.3248 13.5677 13.5677 14.3166 14.3166 14.3700 14.3700 15.3027 15.3027 15.3522 15.3522 15.6215 15.6215 k = 0.0000 0.0000 0.0140 ( 8023 PWs) bands (ev): -43.8959 -43.8959 -43.8573 -43.8573 -20.6100 -20.6100 -20.5809 -20.5809 -20.0275 -20.0275 -19.9876 -19.9876 -19.9168 -19.9168 -19.6408 -19.6408 3.4535 3.4535 5.7942 5.7942 6.4832 6.4832 6.7251 6.7251 6.8937 6.8937 7.5761 7.5761 7.9008 7.9008 8.0099 8.0099 8.0978 8.0978 8.3074 8.3074 8.8669 8.8669 8.9713 8.9713 10.1214 10.1214 11.5039 11.5039 11.7839 11.7839 12.8066 12.8066 13.3257 13.3257 13.5684 13.5684 14.3139 14.3139 14.3678 14.3678 15.2937 15.2937 15.3472 15.3472 15.6217 15.6217 k = 0.0000 0.0000 0.0280 ( 8011 PWs) bands (ev): -43.8958 -43.8958 -43.8574 -43.8574 -20.6099 -20.6099 -20.5809 -20.5809 -20.0274 -20.0274 -19.9877 -19.9877 -19.9162 -19.9162 -19.6416 -19.6416 3.4585 3.4585 5.7902 5.7902 6.4835 6.4835 6.7241 6.7241 6.8938 6.8938 7.5745 7.5745 7.9000 7.9000 8.0123 8.0123 8.0838 8.0838 8.3077 8.3077 8.8438 8.8438 8.9679 8.9679 10.1689 10.1689 11.5120 11.5120 11.7909 11.7909 12.8105 12.8105 13.3283 13.3283 13.5705 13.5705 14.3058 14.3058 14.3613 14.3613 15.2679 15.2679 15.3323 15.3323 15.6223 15.6223 k = 0.0000 0.0000 0.0420 ( 8023 PWs) bands (ev): -43.8957 -43.8957 -43.8576 -43.8576 -20.6096 -20.6096 -20.5810 -20.5810 -20.0272 -20.0272 -19.9879 -19.9879 -19.9152 -19.9152 -19.6429 -19.6429 3.4669 3.4669 5.7834 5.7834 6.4841 6.4841 6.7224 6.7224 6.8941 6.8941 7.5716 7.5716 7.8986 7.8986 8.0161 8.0161 8.0608 8.0608 8.3082 8.3082 8.8104 8.8104 8.9624 8.9624 10.2427 10.2427 11.5254 11.5254 11.8025 11.8025 12.8171 12.8171 13.3326 13.3326 13.5740 13.5740 14.2924 14.2924 14.3505 14.3505 15.2287 15.2287 15.3082 15.3082 15.6234 15.6234 k = 0.0000 0.0000 0.0560 ( 7999 PWs) bands (ev): -43.8954 -43.8954 -43.8578 -43.8578 -20.6093 -20.6093 -20.5810 -20.5810 -20.0270 -20.0270 -19.9881 -19.9881 -19.9137 -19.9137 -19.6447 -19.6447 3.4785 3.4785 5.7736 5.7736 6.4850 6.4850 6.7200 6.7200 6.8945 6.8945 7.5672 7.5672 7.8967 7.8967 8.0215 8.0215 8.0291 8.0291 8.3089 8.3089 8.7720 8.7720 8.9548 8.9548 10.3374 10.3374 11.5443 11.5443 11.8188 11.8188 12.8263 12.8263 13.3386 13.3386 13.5790 13.5790 14.2735 14.2735 14.3355 14.3355 15.1799 15.1799 15.2757 15.2757 15.6248 15.6248 k = 0.0000 0.0000 0.0700 ( 7999 PWs) bands (ev): -43.8951 -43.8951 -43.8581 -43.8581 -20.6089 -20.6089 -20.5811 -20.5811 -20.0267 -20.0267 -19.9884 -19.9884 -19.9119 -19.9119 -19.6470 -19.6470 3.4934 3.4934 5.7608 5.7608 6.4860 6.4860 6.7170 6.7170 6.8950 6.8950 7.5609 7.5609 7.8942 7.8942 7.9899 7.9899 8.0283 8.0283 8.3098 8.3098 8.7329 8.7329 8.9451 8.9451 10.4476 10.4476 11.5689 11.5689 11.8394 11.8394 12.8381 12.8381 13.3464 13.3464 13.5853 13.5853 14.2492 14.2492 14.3163 14.3163 15.1248 15.1248 15.2359 15.2359 15.6267 15.6267 k = 0.0000 0.0000 0.0840 ( 7999 PWs) bands (ev): -43.8948 -43.8948 -43.8584 -43.8584 -20.6084 -20.6084 -20.5811 -20.5811 -20.0263 -20.0263 -19.9888 -19.9888 -19.9097 -19.9097 -19.6498 -19.6498 3.5117 3.5117 5.7447 5.7447 6.4874 6.4874 6.7133 6.7133 6.8956 6.8956 7.5521 7.5521 7.8911 7.8911 7.9450 7.9450 8.0366 8.0366 8.3109 8.3109 8.6960 8.6960 8.9334 8.9334 10.5692 10.5692 11.5994 11.5994 11.8645 11.8645 12.8523 12.8523 13.3558 13.3558 13.5931 13.5931 14.2195 14.2195 14.2931 14.2931 15.0660 15.0660 15.1898 15.1898 15.6291 15.6291 k = 0.0000 0.0000 0.0980 ( 7999 PWs) bands (ev): -43.8944 -43.8944 -43.8589 -43.8589 -20.6078 -20.6078 -20.5812 -20.5812 -20.0259 -20.0259 -19.9892 -19.9892 -19.9071 -19.9071 -19.6531 -19.6531 3.5332 3.5332 5.7251 5.7251 6.4889 6.4889 6.7091 6.7091 6.8964 6.8964 7.5398 7.5398 7.8875 7.8875 7.8971 7.8971 8.0463 8.0463 8.3122 8.3122 8.6627 8.6627 8.9199 8.9199 10.6984 10.6984 11.6363 11.6363 11.8937 11.8937 12.8688 12.8688 13.3670 13.3670 13.6022 13.6022 14.1842 14.1842 14.2660 14.2660 15.0054 15.0054 15.1384 15.1384 15.6320 15.6320 k = 0.0000 0.0000 0.1120 ( 7999 PWs) bands (ev): -43.8939 -43.8939 -43.8593 -43.8593 -20.6071 -20.6071 -20.5813 -20.5813 -20.0254 -20.0254 -19.9897 -19.9897 -19.9041 -19.9041 -19.6568 -19.6568 3.5579 3.5579 5.7018 5.7018 6.4907 6.4907 6.7044 6.7044 6.8973 6.8973 7.5228 7.5228 7.8495 7.8495 7.8832 7.8832 8.0574 8.0574 8.3138 8.3138 8.6335 8.6335 8.9047 8.9047 10.8322 10.8322 11.6801 11.6801 11.9270 11.9270 12.8876 12.8876 13.3797 13.3797 13.6127 13.6127 14.1437 14.1437 14.2351 14.2351 14.9443 14.9443 15.0829 15.0829 15.6355 15.6355 k = 0.0000 0.0000 0.1260 ( 7987 PWs) bands (ev): -43.8934 -43.8934 -43.8599 -43.8599 -20.6064 -20.6064 -20.5815 -20.5815 -20.0248 -20.0248 -19.9903 -19.9903 -19.9007 -19.9007 -19.6610 -19.6610 3.5859 3.5859 5.6744 5.6744 6.4928 6.4928 6.6992 6.6992 6.8983 6.8983 7.4997 7.4997 7.8057 7.8057 7.8784 7.8784 8.0697 8.0697 8.3156 8.3156 8.6081 8.6081 8.8878 8.8878 10.9679 10.9679 11.7316 11.7316 11.9642 11.9642 12.9085 12.9085 13.3942 13.3942 13.6247 13.6247 14.0978 14.0978 14.2006 14.2006 14.8838 14.8838 15.0240 15.0240 15.6396 15.6396 k = 0.0000 0.0000 0.1400 ( 7969 PWs) bands (ev): -43.8928 -43.8928 -43.8605 -43.8605 -20.6056 -20.6056 -20.5816 -20.5816 -20.0242 -20.0242 -19.9909 -19.9909 -19.8969 -19.8969 -19.6656 -19.6656 3.6171 3.6171 5.6428 5.6428 6.4951 6.4951 6.6935 6.6935 6.8995 6.8995 7.4695 7.4695 7.7687 7.7687 7.8730 7.8730 8.0833 8.0833 8.3177 8.3177 8.5860 8.5860 8.8695 8.8695 11.1026 11.1026 11.7921 11.7921 12.0050 12.0050 12.9312 12.9312 13.4102 13.4102 13.6380 13.6380 14.0471 14.0471 14.1626 14.1626 14.8245 14.8245 14.9627 14.9627 15.6444 15.6444 k = 0.0000 0.0000 0.1540 ( 7981 PWs) bands (ev): -43.8921 -43.8921 -43.8611 -43.8611 -20.6047 -20.6047 -20.5818 -20.5818 -20.0236 -20.0236 -19.9915 -19.9915 -19.8928 -19.8928 -19.6706 -19.6706 3.6514 3.6514 5.6068 5.6068 6.4976 6.4976 6.6874 6.6874 6.9009 6.9009 7.4325 7.4325 7.7396 7.7396 7.8670 7.8670 8.0981 8.0981 8.3200 8.3200 8.5666 8.5666 8.8499 8.8499 11.2335 11.2335 11.8629 11.8629 12.0494 12.0494 12.9555 12.9555 13.4277 13.4277 13.6527 13.6527 13.9916 13.9916 14.1213 14.1213 14.7668 14.7668 14.8996 14.8996 15.6499 15.6499 k = 0.0000 0.0000 0.1680 ( 7981 PWs) bands (ev): -43.8915 -43.8915 -43.8618 -43.8618 -20.6038 -20.6038 -20.5820 -20.5820 -20.0228 -20.0228 -19.9923 -19.9923 -19.8883 -19.8883 -19.6760 -19.6760 3.6888 3.6888 5.5662 5.5662 6.5004 6.5004 6.6810 6.6810 6.9024 6.9024 7.3905 7.3905 7.7184 7.7184 7.8605 7.8605 8.1141 8.1141 8.3226 8.3226 8.5494 8.5494 8.8291 8.8291 11.3579 11.3579 11.9454 11.9454 12.0972 12.0972 12.9811 12.9811 13.4467 13.4467 13.6687 13.6687 13.9321 13.9321 14.0768 14.0768 14.7110 14.7110 14.8353 14.8353 15.6563 15.6563 k = 0.0000 0.0000 0.1820 ( 7987 PWs) bands (ev): -43.8907 -43.8907 -43.8626 -43.8626 -20.6029 -20.6029 -20.5822 -20.5822 -20.0221 -20.0221 -19.9930 -19.9930 -19.8835 -19.8835 -19.6818 -19.6818 3.7293 3.7293 5.5210 5.5210 6.5035 6.5035 6.6743 6.6743 6.9042 6.9042 7.3459 7.3459 7.7034 7.7034 7.8534 7.8534 8.1311 8.1311 8.3256 8.3256 8.5340 8.5340 8.8072 8.8072 11.4736 11.4736 12.0403 12.0403 12.1480 12.1480 13.0075 13.0075 13.4671 13.4671 13.6861 13.6861 13.8692 13.8692 14.0295 14.0295 14.6571 14.6571 14.7705 14.7705 15.6634 15.6634 k = 0.0000 0.0000 0.1960 ( 7987 PWs) bands (ev): -43.8899 -43.8899 -43.8634 -43.8634 -20.6019 -20.6019 -20.5825 -20.5825 -20.0213 -20.0213 -19.9938 -19.9938 -19.8783 -19.8783 -19.6880 -19.6880 3.7727 3.7727 5.4712 5.4712 6.5068 6.5068 6.6674 6.6674 6.9062 6.9062 7.3010 7.3010 7.6932 7.6932 7.8458 7.8458 8.1491 8.1491 8.3288 8.3288 8.5199 8.5199 8.7844 8.7844 11.5798 11.5798 12.1474 12.1474 12.2018 12.2018 13.0340 13.0340 13.4885 13.4885 13.7048 13.7048 13.8035 13.8035 13.9797 13.9797 14.6052 14.6052 14.7056 14.7056 15.6716 15.6716 k = 0.0000 0.0000 0.2100 ( 7993 PWs) bands (ev): -43.8891 -43.8891 -43.8642 -43.8642 -20.6009 -20.6009 -20.5828 -20.5828 -20.0204 -20.0204 -19.9947 -19.9947 -19.8728 -19.8728 -19.6944 -19.6944 3.8192 3.8192 5.4170 5.4170 6.5104 6.5104 6.6602 6.6602 6.9084 6.9084 7.2575 7.2575 7.6866 7.6866 7.8377 7.8377 8.1680 8.1680 8.3323 8.3323 8.5071 8.5071 8.7607 8.7607 11.6771 11.6771 12.2584 12.2584 12.2645 12.2645 13.0599 13.0599 13.5106 13.5106 13.7249 13.7249 13.7363 13.7363 13.9278 13.9278 14.5551 14.5551 14.6410 14.6410 15.6807 15.6807 k = 0.0000 0.0000 0.2240 ( 7981 PWs) bands (ev): -43.8882 -43.8882 -43.8651 -43.8651 -20.5999 -20.5999 -20.5831 -20.5831 -20.0195 -20.0195 -19.9956 -19.9956 -19.8669 -19.8669 -19.7012 -19.7012 3.8685 3.8685 5.3587 5.3587 6.5142 6.5142 6.6529 6.6529 6.9109 6.9109 7.2166 7.2166 7.6826 7.6826 7.8292 7.8292 8.1879 8.1879 8.3361 8.3361 8.4951 8.4951 8.7364 8.7364 11.7673 11.7673 12.3175 12.3175 12.3885 12.3885 13.0837 13.0837 13.5327 13.5327 13.6689 13.6689 13.7463 13.7463 13.8748 13.8748 14.5068 14.5068 14.5771 14.5771 15.6910 15.6910 k = 0.0000 0.0000 0.2380 ( 7999 PWs) bands (ev): -43.8873 -43.8873 -43.8660 -43.8660 -20.5989 -20.5989 -20.5834 -20.5834 -20.0186 -20.0186 -19.9966 -19.9966 -19.8608 -19.8608 -19.7082 -19.7082 3.9206 3.9206 5.2966 5.2966 6.5183 6.5183 6.6455 6.6455 6.9138 6.9138 7.1789 7.1789 7.6807 7.6807 7.8202 7.8202 8.2086 8.2086 8.3402 8.3402 8.4839 8.4839 8.7114 8.7114 11.8524 11.8524 12.3789 12.3789 12.5157 12.5157 13.1035 13.1035 13.5531 13.5531 13.6034 13.6034 13.7690 13.7690 13.8226 13.8226 14.4600 14.4600 14.5142 14.5142 15.7024 15.7024 k = 0.0000 0.0000 0.2520 ( 8012 PWs) bands (ev): -43.8863 -43.8863 -43.8669 -43.8669 -20.5978 -20.5978 -20.5838 -20.5838 -20.0176 -20.0176 -19.9976 -19.9976 -19.8543 -19.8543 -19.7155 -19.7155 3.9754 3.9754 5.2311 5.2311 6.5226 6.5226 6.6381 6.6381 6.9169 6.9169 7.1447 7.1447 7.6804 7.6804 7.8110 7.8110 8.2301 8.2301 8.3446 8.3446 8.4734 8.4734 8.6860 8.6860 11.9343 11.9343 12.4425 12.4425 12.6426 12.6426 13.1162 13.1162 13.5426 13.5426 13.5675 13.5675 13.7754 13.7754 13.7929 13.7929 14.4147 14.4147 14.4526 14.4526 15.7150 15.7150 k = 0.0000 0.0000 0.2660 ( 8012 PWs) bands (ev): -43.8854 -43.8854 -43.8679 -43.8679 -20.5968 -20.5968 -20.5842 -20.5842 -20.0166 -20.0166 -19.9986 -19.9986 -19.8477 -19.8477 -19.7230 -19.7230 4.0328 4.0328 5.1627 5.1627 6.5272 6.5272 6.6305 6.6305 6.9204 6.9204 7.1141 7.1141 7.6815 7.6815 7.8015 7.8015 8.2522 8.2522 8.3493 8.3493 8.4634 8.4634 8.6602 8.6602 12.0142 12.0142 12.5081 12.5081 12.7661 12.7661 13.1173 13.1173 13.4910 13.4910 13.5664 13.5664 13.7431 13.7431 13.8181 13.8181 14.3707 14.3707 14.3924 14.3924 15.7290 15.7290 k = 0.0000 0.0000 0.2800 ( 8024 PWs) bands (ev): -43.8844 -43.8844 -43.8689 -43.8689 -20.5958 -20.5958 -20.5847 -20.5847 -20.0155 -20.0155 -19.9996 -19.9996 -19.8407 -19.8407 -19.7307 -19.7307 4.0928 4.0928 5.0920 5.0920 6.5321 6.5321 6.6230 6.6230 6.9244 6.9244 7.0869 7.0869 7.6839 7.6839 7.7918 7.7918 8.2751 8.2751 8.3543 8.3543 8.4538 8.4538 8.6341 8.6341 12.0931 12.0931 12.5754 12.5754 12.8834 12.8834 13.1015 13.1015 13.4533 13.4533 13.5394 13.5394 13.7364 13.7364 13.8445 13.8445 14.3280 14.3280 14.3337 14.3337 15.7442 15.7442 k = 0.0000 0.0000 0.2941 ( 8006 PWs) bands (ev): -43.8833 -43.8833 -43.8700 -43.8700 -20.5948 -20.5948 -20.5852 -20.5852 -20.0144 -20.0144 -20.0007 -20.0007 -19.8335 -19.8335 -19.7385 -19.7385 4.1552 4.1552 5.0194 5.0194 6.5372 6.5372 6.6156 6.6156 6.9288 6.9288 7.0629 7.0629 7.6873 7.6873 7.7819 7.7819 8.2985 8.2985 8.3595 8.3595 8.4447 8.4447 8.6077 8.6077 12.1718 12.1718 12.6443 12.6443 12.9919 12.9919 13.0663 13.0663 13.4316 13.4316 13.4904 13.4904 13.7515 13.7515 13.8721 13.8721 14.2768 14.2768 14.2865 14.2865 15.7608 15.7608 k = 0.0000 0.0000 0.3081 ( 8012 PWs) bands (ev): -43.8823 -43.8823 -43.8710 -43.8710 -20.5938 -20.5938 -20.5858 -20.5858 -20.0134 -20.0134 -20.0018 -20.0018 -19.8262 -19.8262 -19.7464 -19.7464 4.2198 4.2198 4.9454 4.9454 6.5426 6.5426 6.6082 6.6082 6.9338 6.9338 7.0419 7.0419 7.6917 7.6917 7.7721 7.7721 8.3225 8.3225 8.3651 8.3651 8.4360 8.4360 8.5812 8.5812 12.2505 12.2505 12.7145 12.7145 13.0143 13.0143 13.0895 13.0895 13.4224 13.4224 13.4299 13.4299 13.7782 13.7782 13.9008 13.9008 14.2215 14.2215 14.2461 14.2461 15.7787 15.7787 k = 0.0000 0.0000 0.3221 ( 8006 PWs) bands (ev): -43.8812 -43.8812 -43.8721 -43.8721 -20.5929 -20.5929 -20.5863 -20.5863 -20.0123 -20.0123 -20.0029 -20.0029 -19.8186 -19.8186 -19.7545 -19.7545 4.2865 4.2865 4.8705 4.8705 6.5482 6.5482 6.6008 6.6008 6.9394 6.9394 7.0235 7.0235 7.6970 7.6970 7.7623 7.7623 8.3470 8.3470 8.3709 8.3709 8.4276 8.4276 8.5546 8.5546 12.3295 12.3295 12.7858 12.7858 12.9505 12.9505 13.1747 13.1747 13.3636 13.3636 13.4198 13.4198 13.8110 13.8110 13.9306 13.9306 14.1681 14.1681 14.2067 14.2067 15.7981 15.7981 k = 0.0000 0.0000 0.3361 ( 7988 PWs) bands (ev): -43.8801 -43.8801 -43.8732 -43.8732 -20.5920 -20.5920 -20.5869 -20.5869 -20.0111 -20.0111 -20.0040 -20.0040 -19.8109 -19.8109 -19.7626 -19.7626 4.3552 4.3552 4.7952 4.7952 6.5541 6.5541 6.5936 6.5936 6.9458 6.9458 7.0074 7.0074 7.7031 7.7031 7.7527 7.7527 8.3720 8.3720 8.3771 8.3771 8.4195 8.4195 8.5281 8.5281 12.4088 12.4088 12.8580 12.8580 12.8795 12.8795 13.2465 13.2465 13.2942 13.2942 13.4181 13.4181 13.8476 13.8476 13.9614 13.9614 14.1165 14.1165 14.1685 14.1685 15.8190 15.8190 k = 0.0000 0.0000 0.3501 ( 7976 PWs) bands (ev): -43.8791 -43.8791 -43.8742 -43.8742 -20.5912 -20.5912 -20.5876 -20.5876 -20.0100 -20.0100 -20.0051 -20.0051 -19.8030 -19.8030 -19.7707 -19.7707 4.4256 4.4256 4.7199 4.7199 6.5602 6.5602 6.5866 6.5866 6.9530 6.9530 6.9934 6.9934 7.7100 7.7100 7.7433 7.7433 8.3834 8.3834 8.3973 8.3973 8.4117 8.4117 8.5016 8.5016 12.4884 12.4884 12.8043 12.8043 12.9309 12.9309 13.2230 13.2230 13.3044 13.3044 13.4130 13.4130 13.8871 13.8871 13.9933 13.9933 14.0668 14.0668 14.1314 14.1314 15.8415 15.8415 k = 0.0000 0.0000 0.3641 ( 7952 PWs) bands (ev): -43.8781 -43.8781 -43.8752 -43.8752 -20.5905 -20.5905 -20.5881 -20.5881 -20.0090 -20.0090 -20.0061 -20.0061 -19.7951 -19.7951 -19.7788 -19.7788 4.4975 4.4975 4.6450 4.6450 6.5665 6.5665 6.5797 6.5797 6.9612 6.9612 6.9812 6.9812 7.7175 7.7175 7.7343 7.7343 8.3901 8.3901 8.4042 8.4042 8.4230 8.4230 8.4752 8.4752 12.5682 12.5682 12.7267 12.7267 13.0041 13.0041 13.1505 13.1505 13.3488 13.3488 13.4014 13.4014 13.9290 13.9290 14.0189 14.0189 14.0263 14.0263 14.0953 14.0953 15.8658 15.8658 k = 0.0000 0.0000 0.3781 ( 7952 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0084 -20.0084 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5706 4.5706 4.5708 4.5708 6.5730 6.5730 6.5730 6.5730 6.9705 6.9705 6.9705 6.9705 7.7256 7.7256 7.7257 7.7257 8.3970 8.3970 8.3971 8.3971 8.4489 8.4489 8.4490 8.4490 12.6474 12.6474 12.6481 12.6481 13.0770 13.0770 13.0778 13.0778 13.3803 13.3803 13.3810 13.3810 13.9724 13.9724 13.9734 13.9734 14.0597 14.0597 14.0608 14.0608 15.8917 15.8918 k = 0.0000 0.0000 0.3781 ( 7952 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0084 -20.0084 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5706 4.5706 4.5708 4.5708 6.5730 6.5730 6.5730 6.5730 6.9705 6.9705 6.9705 6.9705 7.7256 7.7256 7.7257 7.7257 8.3970 8.3970 8.3971 8.3971 8.4489 8.4489 8.4490 8.4490 12.6474 12.6474 12.6481 12.6481 13.0770 13.0770 13.0778 13.0778 13.3803 13.3803 13.3810 13.3810 13.9724 13.9724 13.9734 13.9734 14.0597 14.0597 14.0608 14.0608 15.8918 15.8918 k = 0.0119 0.0069 0.3781 ( 7950 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0084 -20.0084 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5720 4.5720 4.5722 4.5722 6.5731 6.5731 6.5731 6.5731 6.9704 6.9704 6.9705 6.9705 7.7258 7.7258 7.7259 7.7259 8.3950 8.3950 8.3951 8.3951 8.4516 8.4516 8.4517 8.4517 12.6425 12.6425 12.6431 12.6431 13.0716 13.0716 13.0724 13.0724 13.3820 13.3820 13.3827 13.3827 13.9723 13.9723 13.9733 13.9733 14.0600 14.0600 14.0611 14.0611 15.8948 15.8949 k = 0.0238 0.0137 0.3781 ( 7970 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0085 -20.0085 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5763 4.5763 4.5765 4.5765 6.5734 6.5734 6.5735 6.5735 6.9703 6.9703 6.9704 6.9704 7.7264 7.7264 7.7264 7.7264 8.3901 8.3901 8.3902 8.3902 8.4588 8.4588 8.4589 8.4589 12.6274 12.6274 12.6280 12.6280 13.0561 13.0561 13.0569 13.0569 13.3866 13.3866 13.3873 13.3873 13.9718 13.9718 13.9729 13.9729 14.0609 14.0609 14.0619 14.0619 15.9036 15.9038 k = 0.0357 0.0206 0.3781 ( 7978 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0085 -20.0085 -20.0068 -20.0068 -19.7878 -19.7878 -19.7861 -19.7861 4.5833 4.5833 4.5835 4.5835 6.5740 6.5740 6.5740 6.5740 6.9701 6.9701 6.9702 6.9702 7.7274 7.7274 7.7274 7.7274 8.3838 8.3838 8.3839 8.3839 8.4688 8.4688 8.4689 8.4689 12.6018 12.6018 12.6024 12.6024 13.0329 13.0329 13.0336 13.0336 13.3928 13.3928 13.3934 13.3934 13.9712 13.9712 13.9722 13.9722 14.0622 14.0622 14.0632 14.0632 15.9179 15.9181 k = 0.0476 0.0275 0.3781 ( 7994 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0085 -20.0085 -20.0068 -20.0068 -19.7878 -19.7878 -19.7861 -19.7861 4.5931 4.5931 4.5933 4.5933 6.5748 6.5748 6.5748 6.5748 6.9699 6.9699 6.9700 6.9700 7.7287 7.7287 7.7287 7.7287 8.3771 8.3771 8.3772 8.3772 8.4807 8.4807 8.4807 8.4807 12.5653 12.5653 12.5658 12.5658 13.0043 13.0043 13.0050 13.0050 13.3991 13.3991 13.3998 13.3998 13.9703 13.9703 13.9713 13.9713 14.0638 14.0638 14.0647 14.0647 15.9368 15.9370 k = 0.0595 0.0344 0.3781 ( 8002 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0086 -20.0086 -20.0069 -20.0069 -19.7878 -19.7878 -19.7861 -19.7861 4.6057 4.6057 4.6059 4.6059 6.5757 6.5757 6.5757 6.5757 6.9697 6.9697 6.9697 6.9697 7.7304 7.7304 7.7305 7.7305 8.3706 8.3706 8.3706 8.3706 8.4938 8.4938 8.4939 8.4939 12.5175 12.5175 12.5180 12.5180 12.9728 12.9728 12.9734 12.9734 13.4047 13.4047 13.4053 13.4053 13.9693 13.9693 13.9702 13.9702 14.0654 14.0654 14.0663 14.0663 15.9591 15.9593 k = 0.0714 0.0412 0.3781 ( 8002 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5903 -20.5903 -20.5885 -20.5885 -20.0087 -20.0087 -20.0069 -20.0069 -19.7878 -19.7878 -19.7861 -19.7861 4.6211 4.6211 4.6213 4.6213 6.5768 6.5768 6.5768 6.5768 6.9695 6.9695 6.9695 6.9695 7.7326 7.7326 7.7326 7.7326 8.3644 8.3644 8.3644 8.3644 8.5080 8.5080 8.5080 8.5080 12.4585 12.4585 12.4590 12.4590 12.9400 12.9400 12.9405 12.9405 13.4089 13.4089 13.4095 13.4095 13.9681 13.9681 13.9689 13.9689 14.0669 14.0669 14.0678 14.0678 15.9836 15.9837 k = 0.0833 0.0481 0.3781 ( 7994 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5903 -20.5903 -20.5886 -20.5886 -20.0087 -20.0087 -20.0070 -20.0070 -19.7878 -19.7878 -19.7861 -19.7861 4.6392 4.6392 4.6394 4.6394 6.5780 6.5780 6.5780 6.5780 6.9693 6.9693 6.9694 6.9694 7.7351 7.7351 7.7351 7.7351 8.3587 8.3587 8.3587 8.3587 8.5229 8.5229 8.5230 8.5230 12.3889 12.3889 12.3893 12.3893 12.9066 12.9066 12.9071 12.9071 13.4114 13.4114 13.4120 13.4120 13.9666 13.9666 13.9674 13.9674 14.0683 14.0683 14.0691 14.0691 16.0083 16.0085 k = 0.0952 0.0550 0.3781 ( 7988 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5904 -20.5904 -20.5886 -20.5886 -20.0088 -20.0088 -20.0071 -20.0071 -19.7878 -19.7878 -19.7861 -19.7861 4.6600 4.6600 4.6602 4.6602 6.5793 6.5793 6.5793 6.5793 6.9693 6.9693 6.9694 6.9694 7.7380 7.7380 7.7381 7.7381 8.3536 8.3536 8.3536 8.3536 8.5386 8.5386 8.5386 8.5386 12.3095 12.3095 12.3099 12.3099 12.8731 12.8731 12.8735 12.8735 13.4122 13.4122 13.4129 13.4129 13.9649 13.9649 13.9656 13.9656 14.0694 14.0694 14.0701 14.0701 16.0315 16.0319 k = 0.1071 0.0619 0.3781 ( 7992 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5904 -20.5904 -20.5887 -20.5887 -20.0089 -20.0089 -20.0072 -20.0072 -19.7878 -19.7878 -19.7861 -19.7861 4.6835 4.6835 4.6837 4.6837 6.5806 6.5806 6.5807 6.5807 6.9695 6.9695 6.9695 6.9695 7.7414 7.7414 7.7414 7.7414 8.3490 8.3490 8.3490 8.3490 8.5548 8.5548 8.5548 8.5548 12.2215 12.2215 12.2219 12.2219 12.8393 12.8393 12.8398 12.8398 13.4114 13.4114 13.4121 13.4121 13.9628 13.9628 13.9635 13.9635 14.0702 14.0702 14.0708 14.0708 16.0510 16.0512 k = 0.1190 0.0687 0.3781 ( 7988 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5905 -20.5905 -20.5888 -20.5888 -20.0090 -20.0090 -20.0073 -20.0073 -19.7878 -19.7878 -19.7861 -19.7861 4.7096 4.7096 4.7098 4.7098 6.5820 6.5820 6.5820 6.5820 6.9699 6.9699 6.9699 6.9699 7.7452 7.7452 7.7452 7.7452 8.3451 8.3451 8.3451 8.3451 8.5716 8.5716 8.5716 8.5716 12.1261 12.1261 12.1265 12.1265 12.8052 12.8052 12.8056 12.8056 13.4092 13.4092 13.4098 13.4098 13.9605 13.9605 13.9611 13.9611 14.0706 14.0706 14.0712 14.0712 16.0636 16.0637 k = 0.1310 0.0756 0.3781 ( 7980 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5906 -20.5906 -20.5888 -20.5888 -20.0091 -20.0091 -20.0074 -20.0074 -19.7878 -19.7878 -19.7861 -19.7861 4.7383 4.7383 4.7385 4.7385 6.5833 6.5833 6.5833 6.5833 6.9705 6.9705 6.9706 6.9706 7.7494 7.7494 7.7494 7.7494 8.3417 8.3417 8.3417 8.3417 8.5887 8.5887 8.5887 8.5887 12.0243 12.0243 12.0247 12.0247 12.7704 12.7704 12.7707 12.7707 13.4056 13.4056 13.4063 13.4063 13.9577 13.9577 13.9583 13.9583 14.0708 14.0708 14.0713 14.0713 16.0669 16.0674 k = 0.1429 0.0825 0.3781 ( 7970 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5906 -20.5906 -20.5889 -20.5889 -20.0092 -20.0092 -20.0075 -20.0075 -19.7878 -19.7878 -19.7861 -19.7861 4.7695 4.7695 4.7697 4.7697 6.5845 6.5845 6.5845 6.5845 6.9716 6.9716 6.9716 6.9716 7.7540 7.7540 7.7541 7.7541 8.3390 8.3390 8.3390 8.3390 8.6062 8.6062 8.6062 8.6062 11.9173 11.9173 11.9176 11.9176 12.7347 12.7347 12.7351 12.7351 13.4010 13.4010 13.4016 13.4016 13.9546 13.9546 13.9552 13.9552 14.0706 14.0706 14.0711 14.0711 16.0584 16.0588 k = 0.1548 0.0894 0.3781 ( 7978 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5907 -20.5907 -20.5890 -20.5890 -20.0094 -20.0094 -20.0077 -20.0077 -19.7878 -19.7878 -19.7861 -19.7861 4.8032 4.8032 4.8034 4.8034 6.5857 6.5857 6.5857 6.5857 6.9730 6.9730 6.9731 6.9731 7.7591 7.7591 7.7591 7.7591 8.3368 8.3368 8.3368 8.3368 8.6239 8.6239 8.6239 8.6239 11.8058 11.8058 11.8061 11.8061 12.6981 12.6981 12.6984 12.6984 13.3953 13.3953 13.3960 13.3960 13.9512 13.9512 13.9517 13.9517 14.0702 14.0702 14.0706 14.0706 16.0365 16.0369 k = 0.1667 0.0962 0.3781 ( 7976 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5908 -20.5908 -20.5891 -20.5891 -20.0095 -20.0095 -20.0078 -20.0078 -19.7878 -19.7878 -19.7861 -19.7861 4.8393 4.8393 4.8395 4.8395 6.5867 6.5867 6.5867 6.5867 6.9749 6.9749 6.9750 6.9750 7.7645 7.7645 7.7645 7.7645 8.3351 8.3351 8.3352 8.3352 8.6417 8.6417 8.6418 8.6418 11.6907 11.6907 11.6910 11.6910 12.6605 12.6605 12.6607 12.6607 13.3889 13.3889 13.3896 13.3896 13.9474 13.9474 13.9480 13.9480 14.0694 14.0694 14.0698 14.0698 16.0011 16.0015 k = 0.1786 0.1031 0.3781 ( 7966 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5909 -20.5909 -20.5892 -20.5892 -20.0097 -20.0097 -20.0079 -20.0079 -19.7878 -19.7878 -19.7860 -19.7860 4.8777 4.8777 4.8779 4.8779 6.5876 6.5876 6.5876 6.5876 6.9773 6.9773 6.9774 6.9774 7.7703 7.7703 7.7703 7.7703 8.3340 8.3340 8.3340 8.3340 8.6597 8.6597 8.6597 8.6597 11.5727 11.5727 11.5730 11.5730 12.6218 12.6218 12.6220 12.6220 13.3819 13.3819 13.3826 13.3826 13.9435 13.9435 13.9440 13.9440 14.0684 14.0684 14.0688 14.0688 15.9536 15.9537 k = 0.1905 0.1100 0.3781 ( 7958 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5910 -20.5910 -20.5893 -20.5893 -20.0098 -20.0098 -20.0081 -20.0081 -19.7878 -19.7878 -19.7860 -19.7860 4.9184 4.9184 4.9186 4.9186 6.5883 6.5883 6.5883 6.5883 6.9803 6.9803 6.9803 6.9803 7.7764 7.7764 7.7764 7.7764 8.3334 8.3334 8.3334 8.3334 8.6776 8.6776 8.6776 8.6776 11.4523 11.4523 11.4526 11.4526 12.5821 12.5821 12.5822 12.5822 13.3744 13.3744 13.3750 13.3750 13.9394 13.9394 13.9399 13.9399 14.0671 14.0671 14.0674 14.0674 15.8962 15.8962 k = 0.2024 0.1168 0.3781 ( 7968 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5911 -20.5911 -20.5893 -20.5893 -20.0099 -20.0099 -20.0082 -20.0082 -19.7878 -19.7878 -19.7860 -19.7860 4.9612 4.9612 4.9614 4.9614 6.5888 6.5888 6.5889 6.5889 6.9838 6.9838 6.9839 6.9839 7.7828 7.7828 7.7829 7.7829 8.3333 8.3333 8.3333 8.3333 8.6953 8.6953 8.6953 8.6953 11.3303 11.3303 11.3306 11.3306 12.5414 12.5414 12.5416 12.5416 13.3665 13.3665 13.3671 13.3671 13.9352 13.9352 13.9357 13.9357 14.0655 14.0655 14.0658 14.0658 15.8315 15.8315 k = 0.2143 0.1237 0.3781 ( 7972 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5912 -20.5912 -20.5894 -20.5894 -20.0101 -20.0101 -20.0084 -20.0084 -19.7878 -19.7878 -19.7860 -19.7860 5.0059 5.0059 5.0061 5.0061 6.5893 6.5893 6.5893 6.5893 6.9881 6.9881 6.9881 6.9881 7.7895 7.7895 7.7895 7.7895 8.3336 8.3336 8.3337 8.3337 8.7128 8.7128 8.7128 8.7128 11.2071 11.2071 11.2073 11.2073 12.5000 12.5000 12.5000 12.5000 13.3584 13.3584 13.3590 13.3590 13.9312 13.9312 13.9316 13.9316 14.0637 14.0637 14.0639 14.0639 15.7615 15.7615 k = 0.2262 0.1306 0.3781 ( 7980 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5913 -20.5913 -20.5895 -20.5895 -20.0103 -20.0103 -20.0085 -20.0085 -19.7878 -19.7878 -19.7860 -19.7860 5.0526 5.0526 5.0528 5.0528 6.5896 6.5896 6.5896 6.5896 6.9930 6.9930 6.9931 6.9931 7.7964 7.7964 7.7964 7.7964 8.3344 8.3344 8.3345 8.3345 8.7299 8.7299 8.7300 8.7300 11.0832 11.0832 11.0834 11.0834 12.4578 12.4578 12.4578 12.4578 13.3502 13.3502 13.3508 13.3508 13.9272 13.9272 13.9277 13.9277 14.0615 14.0615 14.0618 14.0618 15.6882 15.6888 k = 0.2381 0.1375 0.3781 ( 7988 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5914 -20.5914 -20.5896 -20.5896 -20.0104 -20.0104 -20.0087 -20.0087 -19.7878 -19.7878 -19.7860 -19.7860 5.1010 5.1010 5.1011 5.1011 6.5899 6.5899 6.5899 6.5899 6.9986 6.9986 6.9987 6.9987 7.8033 7.8033 7.8033 7.8033 8.3356 8.3356 8.3357 8.3357 8.7466 8.7466 8.7466 8.7466 10.9590 10.9590 10.9592 10.9592 12.4151 12.4151 12.4151 12.4151 13.3419 13.3419 13.3426 13.3426 13.9236 13.9236 13.9240 13.9240 14.0591 14.0591 14.0594 14.0594 15.6128 15.6128 k = 0.2500 0.1443 0.3781 ( 7992 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5915 -20.5915 -20.5897 -20.5897 -20.0106 -20.0106 -20.0089 -20.0089 -19.7878 -19.7878 -19.7860 -19.7860 5.1509 5.1509 5.1511 5.1511 6.5901 6.5901 6.5901 6.5901 7.0051 7.0051 7.0051 7.0051 7.8103 7.8103 7.8103 7.8103 8.3372 8.3372 8.3373 8.3373 8.7626 8.7626 8.7626 8.7626 10.8352 10.8352 10.8354 10.8354 12.3720 12.3720 12.3720 12.3720 13.3339 13.3339 13.3345 13.3345 13.9203 13.9203 13.9208 13.9208 14.0564 14.0564 14.0567 14.0567 15.5366 15.5366 k = 0.2619 0.1512 0.3781 ( 7992 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5916 -20.5916 -20.5898 -20.5898 -20.0107 -20.0107 -20.0090 -20.0090 -19.7878 -19.7878 -19.7860 -19.7860 5.2021 5.2021 5.2023 5.2023 6.5903 6.5903 6.5904 6.5904 7.0123 7.0123 7.0124 7.0124 7.8171 7.8171 7.8171 7.8171 8.3392 8.3392 8.3393 8.3393 8.7778 8.7778 8.7778 8.7778 10.7120 10.7120 10.7122 10.7122 12.3287 12.3287 12.3288 12.3288 13.3260 13.3260 13.3266 13.3266 13.9175 13.9175 13.9179 13.9179 14.0535 14.0535 14.0539 14.0539 15.4604 15.4604 k = 0.2738 0.1581 0.3781 ( 7994 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5917 -20.5917 -20.5899 -20.5899 -20.0109 -20.0109 -20.0092 -20.0092 -19.7878 -19.7878 -19.7860 -19.7860 5.2545 5.2545 5.2547 5.2547 6.5907 6.5907 6.5907 6.5907 7.0205 7.0205 7.0206 7.0206 7.8237 7.8237 7.8237 7.8237 8.3416 8.3416 8.3416 8.3416 8.7920 8.7920 8.7920 8.7920 10.5901 10.5901 10.5903 10.5903 12.2854 12.2854 12.2856 12.2856 13.3185 13.3185 13.3190 13.3190 13.9152 13.9152 13.9157 13.9157 14.0503 14.0503 14.0508 14.0508 15.3847 15.3847 k = 0.2857 0.1650 0.3781 ( 7994 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5918 -20.5918 -20.5900 -20.5900 -20.0111 -20.0111 -20.0093 -20.0093 -19.7878 -19.7878 -19.7860 -19.7860 5.3078 5.3078 5.3080 5.3080 6.5912 6.5912 6.5912 6.5912 7.0296 7.0296 7.0297 7.0297 7.8298 7.8298 7.8298 7.8298 8.3442 8.3442 8.3443 8.3443 8.8050 8.8050 8.8050 8.8050 10.4700 10.4700 10.4702 10.4702 12.2424 12.2424 12.2426 12.2426 13.3114 13.3114 13.3119 13.3119 13.9136 13.9136 13.9141 13.9141 14.0470 14.0470 14.0475 14.0475 15.3101 15.3101 k = 0.2976 0.1718 0.3781 ( 7998 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5919 -20.5919 -20.5901 -20.5901 -20.0112 -20.0112 -20.0095 -20.0095 -19.7878 -19.7878 -19.7860 -19.7860 5.3616 5.3616 5.3618 5.3618 6.5919 6.5919 6.5919 6.5919 7.0398 7.0398 7.0399 7.0399 7.8354 7.8354 7.8354 7.8354 8.3473 8.3473 8.3473 8.3473 8.8167 8.8167 8.8167 8.8167 10.3522 10.3522 10.3523 10.3523 12.1999 12.1999 12.2001 12.2001 13.3047 13.3047 13.3053 13.3053 13.9127 13.9127 13.9132 13.9132 14.0435 14.0435 14.0441 14.0441 15.2369 15.2369 k = 0.3095 0.1787 0.3781 ( 7986 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5919 -20.5919 -20.5902 -20.5902 -20.0114 -20.0114 -20.0096 -20.0096 -19.7877 -19.7877 -19.7860 -19.7860 5.4157 5.4157 5.4159 5.4159 6.5929 6.5929 6.5929 6.5929 7.0512 7.0512 7.0512 7.0512 7.8401 7.8401 7.8401 7.8401 8.3506 8.3506 8.3506 8.3506 8.8266 8.8266 8.8267 8.8267 10.2373 10.2373 10.2374 10.2374 12.1580 12.1580 12.1582 12.1582 13.2986 13.2986 13.2992 13.2992 13.9126 13.9126 13.9131 13.9131 14.0399 14.0399 14.0406 14.0406 15.1655 15.1655 k = 0.3214 0.1856 0.3781 ( 7986 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5920 -20.5920 -20.5903 -20.5903 -20.0115 -20.0115 -20.0098 -20.0098 -19.7877 -19.7877 -19.7860 -19.7860 5.4697 5.4697 5.4699 5.4699 6.5943 6.5943 6.5943 6.5943 7.0638 7.0638 7.0639 7.0639 7.8438 7.8438 7.8438 7.8438 8.3542 8.3542 8.3542 8.3542 8.8346 8.8346 8.8347 8.8347 10.1260 10.1260 10.1261 10.1261 12.1171 12.1171 12.1173 12.1173 13.2932 13.2932 13.2937 13.2937 13.9134 13.9134 13.9138 13.9138 14.0363 14.0363 14.0370 14.0370 15.0960 15.0960 k = 0.3333 0.1925 0.3781 ( 7986 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5921 -20.5921 -20.5904 -20.5904 -20.0116 -20.0116 -20.0099 -20.0099 -19.7877 -19.7877 -19.7860 -19.7860 5.5232 5.5232 5.5234 5.5234 6.5961 6.5961 6.5962 6.5962 7.0780 7.0780 7.0780 7.0780 7.8462 7.8462 7.8462 7.8462 8.3581 8.3581 8.3581 8.3581 8.8403 8.8403 8.8404 8.8404 10.0191 10.0191 10.0193 10.0193 12.0773 12.0773 12.0776 12.0776 13.2883 13.2883 13.2888 13.2888 13.9151 13.9151 13.9155 13.9155 14.0327 14.0327 14.0334 14.0334 15.0288 15.0288 k = 0.3452 0.1993 0.3781 ( 8000 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5922 -20.5922 -20.5905 -20.5905 -20.0118 -20.0118 -20.0101 -20.0101 -19.7877 -19.7877 -19.7860 -19.7860 5.5758 5.5758 5.5759 5.5759 6.5984 6.5984 6.5985 6.5985 7.0938 7.0938 7.0938 7.0938 7.8469 7.8469 7.8469 7.8469 8.3622 8.3622 8.3623 8.3623 8.8433 8.8433 8.8433 8.8433 9.9175 9.9175 9.9177 9.9177 12.0390 12.0390 12.0392 12.0392 13.2841 13.2841 13.2846 13.2846 13.9177 13.9177 13.9181 13.9181 14.0291 14.0291 14.0298 14.0298 14.9639 14.9639 k = 0.3571 0.2062 0.3781 ( 8004 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5923 -20.5923 -20.5905 -20.5905 -20.0119 -20.0119 -20.0102 -20.0102 -19.7877 -19.7877 -19.7860 -19.7860 5.6268 5.6268 5.6270 5.6270 6.6013 6.6013 6.6013 6.6013 7.1114 7.1114 7.1115 7.1115 7.8456 7.8456 7.8457 7.8457 8.3666 8.3666 8.3667 8.3667 8.8431 8.8431 8.8431 8.8431 9.8222 9.8222 9.8223 9.8223 12.0022 12.0022 12.0025 12.0025 13.2806 13.2806 13.2811 13.2811 13.9213 13.9213 13.9217 13.9217 14.0256 14.0256 14.0264 14.0264 14.9015 14.9015 k = 0.3690 0.2131 0.3781 ( 8012 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5924 -20.5924 -20.5906 -20.5906 -20.0120 -20.0120 -20.0103 -20.0103 -19.7877 -19.7877 -19.7860 -19.7860 5.6760 5.6760 5.6761 5.6761 6.6046 6.6046 6.6047 6.6047 7.1312 7.1312 7.1313 7.1313 7.8420 7.8420 7.8421 7.8421 8.3712 8.3712 8.3713 8.3713 8.8392 8.8392 8.8392 8.8392 9.7341 9.7341 9.7342 9.7342 11.9673 11.9673 11.9677 11.9677 13.2777 13.2777 13.2782 13.2782 13.9259 13.9259 13.9263 13.9263 14.0222 14.0222 14.0231 14.0231 14.8419 14.8419 k = 0.3810 0.2199 0.3781 ( 8020 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5924 -20.5924 -20.5907 -20.5907 -20.0121 -20.0121 -20.0104 -20.0104 -19.7877 -19.7877 -19.7860 -19.7860 5.7226 5.7226 5.7228 5.7228 6.6085 6.6085 6.6086 6.6086 7.1534 7.1534 7.1534 7.1534 7.8357 7.8357 7.8358 7.8358 8.3760 8.3760 8.3760 8.3760 8.8313 8.8313 8.8313 8.8313 9.6543 9.6543 9.6544 9.6544 11.9346 11.9346 11.9349 11.9349 13.2754 13.2754 13.2759 13.2759 13.9314 13.9314 13.9318 13.9318 14.0191 14.0191 14.0200 14.0200 14.7853 14.7853 k = 0.3929 0.2268 0.3781 ( 8018 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5925 -20.5925 -20.5908 -20.5908 -20.0122 -20.0122 -20.0105 -20.0105 -19.7877 -19.7877 -19.7860 -19.7860 5.7663 5.7663 5.7664 5.7664 6.6128 6.6128 6.6129 6.6129 7.1780 7.1780 7.1781 7.1781 7.8263 7.8263 7.8263 7.8263 8.3809 8.3809 8.3810 8.3810 8.8192 8.8192 8.8192 8.8192 9.5837 9.5837 9.5838 9.5838 11.9041 11.9041 11.9045 11.9045 13.2736 13.2736 13.2742 13.2742 13.9377 13.9377 13.9381 13.9381 14.0164 14.0164 14.0173 14.0173 14.7318 14.7318 k = 0.4048 0.2337 0.3781 ( 8014 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5925 -20.5925 -20.5908 -20.5908 -20.0123 -20.0123 -20.0106 -20.0106 -19.7877 -19.7877 -19.7860 -19.7860 5.8064 5.8064 5.8066 5.8066 6.6175 6.6175 6.6176 6.6176 7.2054 7.2054 7.2055 7.2055 7.8133 7.8133 7.8134 7.8134 8.3860 8.3860 8.3860 8.3860 8.8029 8.8029 8.8029 8.8029 9.5230 9.5230 9.5231 9.5231 11.8763 11.8763 11.8766 11.8766 13.2723 13.2723 13.2729 13.2729 13.9447 13.9447 13.9452 13.9452 14.0140 14.0140 14.0150 14.0150 14.6818 14.6818 k = 0.4167 0.2406 0.3781 ( 8010 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5926 -20.5926 -20.5909 -20.5909 -20.0124 -20.0124 -20.0107 -20.0107 -19.7877 -19.7877 -19.7860 -19.7860 5.8426 5.8426 5.8428 5.8428 6.6224 6.6224 6.6225 6.6225 7.2355 7.2355 7.2356 7.2356 7.7966 7.7966 7.7966 7.7966 8.3911 8.3911 8.3911 8.3911 8.7830 8.7830 8.7831 8.7831 9.4724 9.4724 9.4725 9.4725 11.8511 11.8511 11.8515 11.8515 13.2715 13.2715 13.2721 13.2721 13.9520 13.9520 13.9526 13.9526 14.0122 14.0122 14.0132 14.0132 14.6357 14.6360 k = 0.4286 0.2474 0.3781 ( 7986 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5926 -20.5926 -20.5909 -20.5909 -20.0125 -20.0125 -20.0108 -20.0108 -19.7877 -19.7877 -19.7860 -19.7860 5.8745 5.8745 5.8746 5.8746 6.6272 6.6272 6.6273 6.6273 7.2683 7.2683 7.2684 7.2684 7.7759 7.7759 7.7759 7.7759 8.3961 8.3961 8.3962 8.3962 8.7607 8.7607 8.7608 8.7608 9.4315 9.4315 9.4316 9.4316 11.8289 11.8289 11.8293 11.8293 13.2709 13.2709 13.2716 13.2716 13.9595 13.9595 13.9601 13.9601 14.0112 14.0112 14.0121 14.0121 14.5936 14.5936 k = 0.4405 0.2543 0.3781 ( 7994 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5927 -20.5927 -20.5909 -20.5909 -20.0126 -20.0126 -20.0108 -20.0108 -19.7877 -19.7877 -19.7860 -19.7860 5.9018 5.9018 5.9019 5.9019 6.6319 6.6319 6.6320 6.6320 7.3034 7.3034 7.3035 7.3035 7.7513 7.7513 7.7514 7.7514 8.4011 8.4011 8.4011 8.4011 8.7376 8.7376 8.7376 8.7376 9.3996 9.3996 9.3997 9.3997 11.8098 11.8098 11.8102 11.8102 13.2707 13.2707 13.2713 13.2713 13.9664 13.9664 13.9671 13.9671 14.0111 14.0111 14.0120 14.0120 14.5563 14.5566 k = 0.4524 0.2612 0.3781 ( 8000 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5927 -20.5927 -20.5910 -20.5910 -20.0126 -20.0126 -20.0109 -20.0109 -19.7877 -19.7877 -19.7860 -19.7860 5.9243 5.9243 5.9244 5.9244 6.6361 6.6361 6.6362 6.6362 7.3401 7.3401 7.3401 7.3401 7.7234 7.7234 7.7235 7.7235 8.4057 8.4057 8.4058 8.4058 8.7154 8.7154 8.7154 8.7154 9.3756 9.3756 9.3757 9.3757 11.7939 11.7939 11.7943 11.7943 13.2706 13.2706 13.2713 13.2713 13.9722 13.9722 13.9730 13.9730 14.0121 14.0121 14.0131 14.0131 14.5242 14.5246 k = 0.4643 0.2681 0.3781 ( 7988 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5927 -20.5927 -20.5910 -20.5910 -20.0127 -20.0127 -20.0109 -20.0109 -19.7877 -19.7877 -19.7860 -19.7860 5.9418 5.9418 5.9419 5.9419 6.6396 6.6396 6.6397 6.6397 7.3770 7.3770 7.3771 7.3771 7.6934 7.6934 7.6935 7.6935 8.4098 8.4098 8.4098 8.4098 8.6959 8.6959 8.6959 8.6959 9.3583 9.3583 9.3584 9.3584 11.7815 11.7815 11.7818 11.7818 13.2706 13.2706 13.2713 13.2713 13.9764 13.9764 13.9774 13.9774 14.0142 14.0142 14.0152 14.0152 14.4981 14.4982 k = 0.4762 0.2749 0.3781 ( 7988 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9544 5.9544 5.9545 5.9545 6.6423 6.6423 6.6424 6.6424 7.4116 7.4116 7.4117 7.4117 7.6638 7.6638 7.6639 7.6639 8.4131 8.4131 8.4131 8.4131 8.6807 8.6807 8.6808 8.6808 9.3468 9.3468 9.3468 9.3468 11.7725 11.7725 11.7729 11.7729 13.2707 13.2707 13.2714 13.2714 13.9791 13.9791 13.9801 13.9801 14.0166 14.0166 14.0177 14.0177 14.4787 14.4787 k = 0.4881 0.2818 0.3781 ( 7996 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9619 5.9619 5.9620 5.9620 6.6440 6.6440 6.6441 6.6441 7.4388 7.4388 7.4388 7.4388 7.6396 7.6396 7.6397 7.6397 8.4152 8.4152 8.4152 8.4152 8.6711 8.6711 8.6711 8.6711 9.3401 9.3401 9.3402 9.3402 11.7671 11.7671 11.7675 11.7675 13.2707 13.2707 13.2714 13.2714 13.9804 13.9804 13.9816 13.9816 14.0186 14.0186 14.0197 14.0197 14.4668 14.4669 k = 0.5000 0.2887 0.3781 ( 8004 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9644 5.9644 5.9645 5.9645 6.6445 6.6445 6.6446 6.6446 7.4498 7.4498 7.4498 7.4498 7.6296 7.6296 7.6297 7.6297 8.4160 8.4160 8.4160 8.4160 8.6678 8.6678 8.6678 8.6678 9.3380 9.3380 9.3380 9.3380 11.7653 11.7653 11.7656 11.7656 13.2707 13.2707 13.2714 13.2714 13.9809 13.9809 13.9820 13.9820 14.0194 14.0194 14.0205 14.0205 14.4627 14.4628 k = 0.5000 0.2887 0.3781 ( 8004 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9644 5.9644 5.9645 5.9645 6.6445 6.6445 6.6446 6.6446 7.4498 7.4498 7.4498 7.4498 7.6296 7.6296 7.6297 7.6297 8.4160 8.4160 8.4160 8.4160 8.6678 8.6678 8.6678 8.6678 9.3380 9.3380 9.3380 9.3380 11.7653 11.7653 11.7656 11.7656 13.2707 13.2707 13.2714 13.2714 13.9809 13.9809 13.9820 13.9820 14.0194 14.0194 14.0205 14.0205 14.4628 14.4629 k = 0.4931 0.3007 0.3781 ( 7988 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9594 5.9594 5.9719 5.9719 6.6389 6.6389 6.6508 6.6508 7.4254 7.4254 7.4714 7.4714 7.6229 7.6229 7.6379 7.6379 8.3982 8.3982 8.4334 8.4334 8.6394 8.6394 8.6985 8.6985 9.3339 9.3339 9.3413 9.3413 11.7529 11.7529 11.7709 11.7709 13.2714 13.2714 13.2722 13.2722 13.9568 13.9568 13.9580 13.9580 14.0430 14.0430 14.0457 14.0457 14.4618 14.4621 k = 0.4861 0.3127 0.3781 ( 7980 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9567 5.9567 5.9818 5.9818 6.6337 6.6337 6.6576 6.6576 7.3989 7.3989 7.4893 7.4893 7.6169 7.6169 7.6486 7.6486 8.3808 8.3808 8.4495 8.4495 8.6144 8.6144 8.7309 8.7309 9.3291 9.3291 9.3441 9.3441 11.7334 11.7334 11.7692 11.7692 13.2735 13.2735 13.2743 13.2743 13.9200 13.9200 13.9227 13.9227 14.0789 14.0789 14.0838 14.0838 14.4598 14.4598 k = 0.4792 0.3248 0.3781 ( 7976 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9563 5.9563 5.9942 5.9942 6.6291 6.6291 6.6648 6.6648 7.3712 7.3712 7.5028 7.5028 7.6109 7.6109 7.6624 7.6624 8.3640 8.3640 8.4616 8.4616 8.5954 8.5954 8.7645 8.7645 9.3235 9.3235 9.3463 9.3463 11.7073 11.7073 11.7603 11.7603 13.2770 13.2770 13.2779 13.2779 13.8828 13.8828 13.8870 13.8870 14.1158 14.1158 14.1230 14.1230 14.4572 14.4573 k = 0.4722 0.3368 0.3781 ( 7984 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0128 -20.0128 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9580 5.9580 6.0092 6.0092 6.6251 6.6251 6.6724 6.6724 7.3426 7.3426 7.5118 7.5118 7.6044 7.6044 7.6795 7.6795 8.3479 8.3479 8.4660 8.4660 8.5862 8.5862 8.7991 8.7991 9.3171 9.3171 9.3481 9.3481 11.6748 11.6748 11.7446 11.7446 13.2818 13.2818 13.2826 13.2826 13.8464 13.8464 13.8522 13.8522 14.1521 14.1521 14.1619 14.1619 14.4542 14.4542 k = 0.4653 0.3488 0.3781 ( 7980 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0128 -20.0128 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9617 5.9617 6.0266 6.0266 6.6218 6.6218 6.6804 6.6804 7.3135 7.3135 7.5170 7.5170 7.5971 7.5971 7.6992 7.6992 8.3327 8.3327 8.4597 8.4597 8.5896 8.5896 8.8342 8.8342 9.3099 9.3099 9.3497 9.3497 11.6363 11.6363 11.7222 11.7222 13.2879 13.2879 13.2886 13.2886 13.8115 13.8115 13.8186 13.8186 14.1872 14.1872 14.1999 14.1999 14.4511 14.4511 k = 0.4583 0.3608 0.3781 ( 7976 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5929 -20.5929 -20.5910 -20.5910 -20.0128 -20.0128 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9674 5.9674 6.0466 6.0466 6.6191 6.6191 6.6887 6.6887 7.2843 7.2843 7.5192 7.5192 7.5887 7.5887 7.7208 7.7208 8.3184 8.3184 8.4451 8.4451 8.6033 8.6033 8.8697 8.8697 9.3019 9.3019 9.3514 9.3514 11.5926 11.5926 11.6936 11.6936 13.2949 13.2949 13.2956 13.2956 13.7782 13.7782 13.7866 13.7866 14.2202 14.2202 14.2362 14.2362 14.4482 14.4482 k = 0.4514 0.3729 0.3781 ( 7980 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5929 -20.5929 -20.5910 -20.5910 -20.0129 -20.0129 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9748 5.9748 6.0691 6.0691 6.6170 6.6170 6.6973 6.6973 7.2550 7.2550 7.5193 7.5193 7.5790 7.5790 7.7433 7.7433 8.3051 8.3051 8.4260 8.4260 8.6231 8.6231 8.9052 8.9052 9.2932 9.2932 9.3534 9.3534 11.5440 11.5440 11.6591 11.6591 13.3027 13.3027 13.3038 13.3038 13.7468 13.7468 13.7563 13.7563 14.2501 14.2501 14.2697 14.2697 14.4465 14.4465 k = 0.4444 0.3849 0.3781 ( 7974 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5929 -20.5929 -20.5910 -20.5910 -20.0129 -20.0129 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9838 5.9838 6.0940 6.0940 6.6156 6.6156 6.7060 6.7060 7.2260 7.2260 7.5180 7.5180 7.5678 7.5678 7.7660 7.7660 8.2926 8.2926 8.4054 8.4054 8.6463 8.6463 8.9401 8.9401 9.2838 9.2838 9.3561 9.3561 11.4914 11.4914 11.6193 11.6193 13.3110 13.3110 13.3129 13.3129 13.7176 13.7176 13.7282 13.7282 14.2758 14.2758 14.2987 14.2987 14.4476 14.4476 k = 0.4375 0.3969 0.3781 ( 7966 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5930 -20.5930 -20.5910 -20.5910 -20.0130 -20.0130 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9942 5.9942 6.1214 6.1214 6.6149 6.6149 6.7149 6.7149 7.1974 7.1974 7.5161 7.5161 7.5552 7.5552 7.7880 7.7880 8.2811 8.2811 8.3845 8.3845 8.6714 8.6714 8.9739 8.9739 9.2738 9.2738 9.3599 9.3599 11.4354 11.4354 11.5750 11.5750 13.3198 13.3198 13.3227 13.3227 13.6907 13.6907 13.7022 13.7022 14.2956 14.2956 14.3207 14.3207 14.4537 14.4537 k = 0.4306 0.4090 0.3781 ( 7982 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5930 -20.5930 -20.5910 -20.5910 -20.0130 -20.0130 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 6.0058 6.0058 6.1512 6.1512 6.6149 6.6149 6.7237 6.7237 7.1692 7.1692 7.5141 7.5141 7.5409 7.5409 7.8089 7.8089 8.2704 8.2704 8.3641 8.3641 8.6975 8.6975 9.0061 9.0061 9.2633 9.2633 9.3654 9.3654 11.3769 11.3769 11.5266 11.5266 13.3288 13.3288 13.3330 13.3330 13.6663 13.6663 13.6785 13.6785 14.3084 14.3084 14.3337 14.3337 14.4671 14.4671 k = 0.4236 0.4210 0.3781 ( 7982 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5930 -20.5930 -20.5910 -20.5910 -20.0131 -20.0131 -20.0111 -20.0111 -19.7877 -19.7877 -19.7860 -19.7860 6.0183 6.0183 6.1833 6.1833 6.6155 6.6155 6.7325 6.7325 7.1417 7.1417 7.5123 7.5123 7.5251 7.5251 7.8280 7.8280 8.2607 8.2607 8.3448 8.3448 8.7240 8.7240 9.0358 9.0358 9.2525 9.2525 9.3732 9.3732 11.3166 11.3166 11.4752 11.4752 13.3378 13.3378 13.3434 13.3434 13.6445 13.6445 13.6574 13.6574 14.3140 14.3140 14.3376 14.3376 14.4873 14.4873 k = 0.4167 0.4330 0.3781 ( 7976 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5931 -20.5931 -20.5910 -20.5910 -20.0131 -20.0131 -20.0111 -20.0111 -19.7877 -19.7877 -19.7860 -19.7860 6.0316 6.0316 6.2175 6.2175 6.6168 6.6168 6.7411 6.7411 7.1150 7.1150 7.5076 7.5076 7.5112 7.5112 7.8448 7.8448 8.2518 8.2518 8.3270 8.3270 8.7504 8.7504 9.0623 9.0623 9.2415 9.2415 9.3839 9.3839 11.2555 11.2555 11.4213 11.4213 13.3465 13.3465 13.3537 13.3537 13.6256 13.6256 13.6389 13.6389 14.3135 14.3135 14.3350 14.3350 14.5121 14.5122 k = 0.4097 0.4450 0.3781 ( 7980 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5931 -20.5931 -20.5910 -20.5910 -20.0132 -20.0132 -20.0111 -20.0111 -19.7877 -19.7877 -19.7859 -19.7859 6.0453 6.0453 6.2537 6.2537 6.6188 6.6188 6.7493 6.7493 7.0892 7.0892 7.4885 7.4885 7.5111 7.5111 7.8587 7.8587 8.2438 8.2438 8.3111 8.3111 8.7761 8.7761 9.0849 9.0849 9.2306 9.2306 9.3979 9.3979 11.1945 11.1945 11.3660 11.3660 13.3547 13.3547 13.3635 13.3635 13.6096 13.6096 13.6232 13.6232 14.3084 14.3084 14.3283 14.3283 14.5391 14.5392 k = 0.4028 0.4571 0.3781 ( 7986 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5932 -20.5932 -20.5910 -20.5910 -20.0132 -20.0132 -20.0111 -20.0111 -19.7877 -19.7877 -19.7859 -19.7859 6.0591 6.0591 6.2917 6.2917 6.6213 6.6213 6.7569 6.7569 7.0646 7.0646 7.4679 7.4679 7.5123 7.5123 7.8690 7.8690 8.2366 8.2366 8.2974 8.2974 8.8009 8.8009 9.1033 9.1033 9.2198 9.2198 9.4153 9.4153 11.1344 11.1344 11.3101 11.3101 13.3621 13.3621 13.3724 13.3724 13.5968 13.5968 13.6103 13.6103 14.2999 14.2999 14.3190 14.3190 14.5615 14.5615 k = 0.3958 0.4691 0.3781 ( 7990 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5932 -20.5932 -20.5910 -20.5910 -20.0133 -20.0133 -20.0111 -20.0111 -19.7877 -19.7877 -19.7859 -19.7859 6.0728 6.0728 6.3313 6.3313 6.6243 6.6243 6.7636 6.7636 7.0413 7.0413 7.4459 7.4459 7.5151 7.5151 7.8754 7.8754 8.2303 8.2303 8.2864 8.2864 8.8241 8.8241 9.1175 9.1175 9.2097 9.2097 9.4357 9.4357 11.0763 11.0763 11.2547 11.2547 13.3685 13.3685 13.3800 13.3800 13.5874 13.5874 13.6004 13.6004 14.2892 14.2892 14.3083 14.3083 14.5834 14.5834 k = 0.3889 0.4811 0.3781 ( 8000 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5932 -20.5932 -20.5910 -20.5910 -20.0133 -20.0133 -20.0111 -20.0111 -19.7877 -19.7877 -19.7859 -19.7859 6.0860 6.0860 6.3722 6.3722 6.6278 6.6278 6.7692 6.7692 7.0198 7.0198 7.4227 7.4227 7.5198 7.5198 7.8774 7.8774 8.2247 8.2247 8.2781 8.2781 8.8452 8.8452 9.1279 9.1279 9.2003 9.2003 9.4585 9.4585 11.0210 11.0210 11.2006 11.2006 13.3735 13.3735 13.3861 13.3861 13.5812 13.5812 13.5934 13.5934 14.2770 14.2770 14.2967 14.2967 14.6042 14.6042 k = 0.3819 0.4932 0.3781 ( 8012 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5910 -20.5910 -20.0134 -20.0134 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.0985 6.0985 6.4139 6.4139 6.6315 6.6315 6.7731 6.7731 7.0005 7.0005 7.3986 7.3986 7.5264 7.5264 7.8749 7.8749 8.2199 8.2199 8.2727 8.2727 8.8639 8.8639 9.1350 9.1350 9.1920 9.1920 9.4824 9.4824 10.9696 10.9696 11.1491 11.1491 13.3773 13.3773 13.3906 13.3906 13.5782 13.5782 13.5892 13.5892 14.2641 14.2641 14.2848 14.2848 14.6234 14.6234 k = 0.3750 0.5052 0.3781 ( 8020 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5910 -20.5910 -20.0134 -20.0134 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1100 6.1100 6.4559 6.4559 6.6354 6.6354 6.7747 6.7747 6.9839 6.9839 7.3739 7.3739 7.5350 7.5350 7.8682 7.8682 8.2159 8.2159 8.2698 8.2698 8.8796 8.8796 9.1397 9.1397 9.1849 9.1849 9.5063 9.5063 10.9230 10.9230 11.1012 11.1012 13.3798 13.3798 13.3934 13.3934 13.5780 13.5780 13.5873 13.5873 14.2509 14.2509 14.2730 14.2730 14.6406 14.6406 k = 0.3681 0.5172 0.3781 ( 8016 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1203 6.1203 6.4975 6.4975 6.6393 6.6393 6.7735 6.7735 6.9706 6.9706 7.3493 7.3493 7.5457 7.5457 7.8577 7.8577 8.2125 8.2125 8.2689 8.2689 8.8921 8.8921 9.1425 9.1425 9.1794 9.1794 9.5290 9.5290 10.8819 10.8819 11.0581 11.0581 13.3811 13.3811 13.3948 13.3948 13.5799 13.5799 13.5873 13.5873 14.2382 14.2382 14.2619 14.2619 14.6554 14.6554 k = 0.3611 0.5292 0.3781 ( 8020 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1291 6.1291 6.5377 6.5377 6.6429 6.6429 6.7690 6.7690 6.9611 6.9611 7.3256 7.3256 7.5580 7.5580 7.8445 7.8445 8.2099 8.2099 8.2696 8.2696 8.9015 8.9015 9.1440 9.1440 9.1752 9.1752 9.5492 9.5492 10.8473 10.8473 11.0208 11.0208 13.3817 13.3817 13.3952 13.3952 13.5831 13.5831 13.5887 13.5887 14.2264 14.2264 14.2518 14.2518 14.6676 14.6676 k = 0.3542 0.5413 0.3781 ( 8032 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1363 6.1363 6.5750 6.5750 6.6461 6.6461 6.7613 6.7613 6.9554 6.9554 7.3039 7.3039 7.5712 7.5712 7.8298 7.8298 8.2079 8.2079 8.2710 8.2710 8.9079 8.9079 9.1446 9.1446 9.1724 9.1724 9.5660 9.5660 10.8198 10.8198 10.9906 10.9906 13.3817 13.3817 13.3950 13.3950 13.5869 13.5869 13.5907 13.5907 14.2163 14.2163 14.2432 14.2432 14.6769 14.6769 k = 0.3472 0.5533 0.3781 ( 8032 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1416 6.1416 6.6072 6.6072 6.6486 6.6486 6.7514 6.7514 6.9530 6.9530 7.2858 7.2858 7.5839 7.5839 7.8155 7.8155 8.2065 8.2065 8.2726 8.2726 8.9117 8.9117 9.1448 9.1448 9.1706 9.1706 9.5785 9.5785 10.7998 10.7998 10.9682 10.9682 13.3814 13.3814 13.3946 13.3946 13.5904 13.5904 13.5927 13.5927 14.2084 14.2084 14.2366 14.2366 14.6835 14.6835 k = 0.3403 0.5653 0.3781 ( 8032 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1448 6.1448 6.6306 6.6306 6.6502 6.6502 6.7420 6.7420 6.9527 6.9527 7.2733 7.2733 7.5939 7.5939 7.8045 7.8045 8.2057 8.2057 8.2738 8.2738 8.9136 8.9136 9.1448 9.1448 9.1696 9.1696 9.5861 9.5861 10.7877 10.7877 10.9545 10.9545 13.3812 13.3812 13.3941 13.3941 13.5928 13.5928 13.5942 13.5942 14.2034 14.2034 14.2324 14.2324 14.6873 14.6873 k = 0.3333 0.5774 0.3781 ( 8028 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1460 6.1460 6.6395 6.6395 6.6508 6.6508 6.7380 6.7380 6.9530 6.9530 7.2687 7.2687 7.5980 7.5980 7.8001 7.8001 8.2055 8.2055 8.2742 8.2742 8.9141 8.9141 9.1447 9.1447 9.1693 9.1693 9.5887 9.5887 10.7837 10.7837 10.9499 10.9499 13.3811 13.3811 13.3940 13.3940 13.5938 13.5938 13.5948 13.5948 14.2016 14.2016 14.2309 14.2309 14.6885 14.6885 k = 0.3333 0.5774 0.3781 ( 8028 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1460 6.1460 6.6395 6.6395 6.6508 6.6508 6.7380 6.7380 6.9530 6.9530 7.2687 7.2687 7.5980 7.5980 7.8001 7.8001 8.2055 8.2055 8.2742 8.2742 8.9141 8.9141 9.1447 9.1447 9.1693 9.1693 9.5887 9.5887 10.7837 10.7837 10.9499 10.9499 13.3811 13.3811 13.3940 13.3940 13.5938 13.5938 13.5948 13.5948 14.2016 14.2016 14.2309 14.2309 14.6885 14.6885 k = 0.3264 0.5653 0.3781 ( 8036 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1448 6.1448 6.6309 6.6309 6.6502 6.6502 6.7415 6.7415 6.9523 6.9523 7.2738 7.2738 7.5933 7.5933 7.8051 7.8051 8.2057 8.2057 8.2737 8.2737 8.9137 8.9137 9.1448 9.1448 9.1697 9.1697 9.5862 9.5862 10.7877 10.7877 10.9545 10.9545 13.3812 13.3812 13.3942 13.3942 13.5928 13.5928 13.5941 13.5941 14.2035 14.2035 14.2325 14.2325 14.6874 14.6874 k = 0.3194 0.5533 0.3781 ( 8038 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1412 6.1412 6.6089 6.6089 6.6483 6.6483 6.7484 6.7484 6.9499 6.9499 7.2896 7.2896 7.5797 7.5797 7.8197 7.8197 8.2064 8.2064 8.2723 8.2723 8.9130 8.9130 9.1451 9.1451 9.1710 9.1710 9.5795 9.5795 10.7994 10.7994 10.9680 10.9680 13.3816 13.3816 13.3948 13.3948 13.5897 13.5897 13.5922 13.5922 14.2092 14.2092 14.2371 14.2371 14.6844 14.6844 k = 0.3125 0.5413 0.3781 ( 8034 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1349 6.1349 6.5783 6.5783 6.6451 6.6451 6.7538 6.7538 6.9461 6.9461 7.3155 7.3155 7.5591 7.5591 7.8417 7.8417 8.2075 8.2075 8.2700 8.2700 8.9121 8.9121 9.1456 9.1456 9.1740 9.1740 9.5692 9.5692 10.8185 10.8185 10.9900 10.9900 13.3824 13.3824 13.3958 13.3958 13.5846 13.5846 13.5889 13.5889 14.2186 14.2186 14.2449 14.2449 14.6800 14.6800 k = 0.3056 0.5292 0.3781 ( 8026 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5910 -20.5910 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1259 6.1259 6.5414 6.5414 6.6406 6.6406 6.7560 6.7560 6.9417 6.9417 7.3496 7.3496 7.5339 7.5339 7.8680 7.8680 8.2090 8.2090 8.2673 8.2673 8.9111 8.9111 9.1462 9.1462 9.1792 9.1792 9.5566 9.5566 10.8445 10.8445 11.0197 11.0197 13.3833 13.3833 13.3972 13.3972 13.5779 13.5779 13.5847 13.5847 14.2316 14.2316 14.2554 14.2554 14.6749 14.6749 k = 0.2986 0.5172 0.3781 ( 8030 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5910 -20.5910 -20.0134 -20.0134 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1139 6.1139 6.4995 6.4995 6.6349 6.6349 6.7547 6.7547 6.9376 6.9376 7.3900 7.3900 7.5061 7.5061 7.8959 7.8959 8.2108 8.2108 8.2650 8.2650 8.9100 8.9100 9.1467 9.1467 9.1876 9.1876 9.5432 9.5432 10.8768 10.8768 11.0562 11.0562 13.3842 13.3842 13.3988 13.3988 13.5700 13.5700 13.5798 13.5798 14.2475 14.2475 14.2684 14.2684 14.6696 14.6696 k = 0.2917 0.5052 0.3781 ( 8042 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5933 -20.5933 -20.5910 -20.5910 -20.0134 -20.0134 -20.0111 -20.0111 -19.7877 -19.7877 -19.7859 -19.7859 6.0987 6.0987 6.4531 6.4531 6.6282 6.6282 6.7506 6.7506 6.9344 6.9344 7.4344 7.4344 7.4769 7.4769 7.9229 7.9229 8.2129 8.2129 8.2639 8.2639 8.9085 8.9085 9.1468 9.1468 9.2001 9.2001 9.5306 9.5306 10.9147 10.9147 11.0987 11.0987 13.3851 13.3851 13.4003 13.4003 13.5615 13.5615 13.5748 13.5748 14.2658 14.2658 14.2833 14.2833 14.6651 14.6651 k = 0.2847 0.4932 0.3781 ( 8046 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5932 -20.5932 -20.5910 -20.5910 -20.0133 -20.0133 -20.0111 -20.0111 -19.7877 -19.7877 -19.7860 -19.7860 6.0801 6.0801 6.4028 6.4028 6.6207 6.6207 6.7443 6.7443 6.9322 6.9322 7.4474 7.4474 7.4812 7.4812 7.9468 7.9468 8.2153 8.2153 8.2651 8.2651 8.9066 8.9066 9.1459 9.1459 9.2178 9.2178 9.5204 9.5204 10.9578 10.9578 11.1464 11.1464 13.3855 13.3855 13.4014 13.4014 13.5532 13.5532 13.5703 13.5703 14.2852 14.2852 14.2991 14.2991 14.6625 14.6625 k = 0.2778 0.4811 0.3781 ( 8036 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5932 -20.5932 -20.5910 -20.5910 -20.0133 -20.0133 -20.0111 -20.0111 -19.7877 -19.7877 -19.7860 -19.7860 6.0580 6.0580 6.3491 6.3491 6.6126 6.6126 6.7368 6.7368 6.9307 6.9307 7.4182 7.4182 7.5287 7.5287 7.9657 7.9657 8.2179 8.2179 8.2694 8.2694 8.9040 8.9040 9.1435 9.1435 9.2415 9.2415 9.5144 9.5144 11.0054 11.0054 11.1985 11.1985 13.3853 13.3853 13.4018 13.4018 13.5460 13.5460 13.5669 13.5669 14.3046 14.3046 14.3148 14.3148 14.6629 14.6630 k = 0.2708 0.4691 0.3781 ( 8044 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5931 -20.5931 -20.5910 -20.5910 -20.0132 -20.0132 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 6.0321 6.0321 6.2924 6.2924 6.6043 6.6043 6.7287 6.7287 6.9299 6.9299 7.3898 7.3898 7.5756 7.5756 7.9785 7.9785 8.2207 8.2207 8.2775 8.2775 8.9008 8.9008 9.1388 9.1388 9.2720 9.2720 9.5145 9.5145 11.0569 11.0569 11.2542 11.2542 13.3841 13.3841 13.4009 13.4009 13.5406 13.5406 13.5652 13.5652 14.3224 14.3224 14.3292 14.3292 14.6680 14.6680 k = 0.2639 0.4571 0.3781 ( 8040 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5931 -20.5931 -20.5909 -20.5909 -20.0131 -20.0131 -20.0109 -20.0109 -19.7877 -19.7877 -19.7860 -19.7860 6.0025 6.0025 6.2334 6.2334 6.5961 6.5961 6.7203 6.7203 6.9294 6.9294 7.3623 7.3623 7.6208 7.6208 7.9848 7.9848 8.2237 8.2237 8.2888 8.2888 8.8969 8.8969 9.1315 9.1315 9.3099 9.3099 9.5220 9.5220 11.1117 11.1117 11.3128 11.3128 13.3820 13.3820 13.3985 13.3985 13.5379 13.5379 13.5656 13.5656 14.3372 14.3372 14.3409 14.3409 14.6793 14.6793 k = 0.2569 0.4450 0.3781 ( 8020 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5930 -20.5930 -20.5909 -20.5909 -20.0130 -20.0130 -20.0109 -20.0109 -19.7877 -19.7877 -19.7860 -19.7860 5.9690 5.9690 6.1723 6.1723 6.5882 6.5882 6.7120 6.7120 6.9293 6.9293 7.3361 7.3361 7.6635 7.6635 7.9852 7.9852 8.2269 8.2269 8.3025 8.3025 8.8923 8.8923 9.1214 9.1214 9.3554 9.3554 9.5381 9.5381 11.1694 11.1694 11.3740 11.3740 13.3788 13.3788 13.3943 13.3943 13.5381 13.5381 13.5685 13.5685 14.3475 14.3475 14.3490 14.3490 14.6981 14.6981 k = 0.2500 0.4330 0.3781 ( 8006 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5929 -20.5929 -20.5909 -20.5909 -20.0129 -20.0129 -20.0108 -20.0108 -19.7877 -19.7877 -19.7860 -19.7860 5.9319 5.9319 6.1096 6.1096 6.5808 6.5808 6.7041 6.7041 6.9292 6.9292 7.3113 7.3113 7.7027 7.7027 7.9808 7.9808 8.2302 8.2302 8.3171 8.3171 8.8872 8.8872 9.1086 9.1086 9.4087 9.4087 9.5632 9.5632 11.2296 11.2296 11.4370 11.4370 13.3747 13.3747 13.3887 13.3887 13.5414 13.5414 13.5739 13.5739 14.3522 14.3522 14.3531 14.3531 14.7252 14.7254 k = 0.2431 0.4210 0.3781 ( 8014 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5929 -20.5929 -20.5908 -20.5908 -20.0128 -20.0128 -20.0107 -20.0107 -19.7877 -19.7877 -19.7860 -19.7860 5.8913 5.8913 6.0456 6.0456 6.5741 6.5741 6.6964 6.6964 6.9292 6.9292 7.2877 7.2877 7.7380 7.7380 7.9728 7.9728 8.2336 8.2336 8.3314 8.3314 8.8815 8.8815 9.0935 9.0935 9.4698 9.4698 9.5974 9.5974 11.2917 11.2917 11.5015 11.5015 13.3700 13.3700 13.3821 13.3821 13.5474 13.5474 13.5817 13.5817 14.3516 14.3516 14.3533 14.3533 14.7549 14.7553 k = 0.2361 0.4090 0.3781 ( 8010 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5908 -20.5908 -20.0127 -20.0127 -20.0106 -20.0106 -19.7877 -19.7877 -19.7860 -19.7860 5.8475 5.8475 5.9808 5.9808 6.5682 6.5682 6.6893 6.6893 6.9292 6.9292 7.2655 7.2655 7.7688 7.7688 7.9623 7.9623 8.2372 8.2372 8.3444 8.3444 8.8753 8.8753 9.0767 9.0767 9.5384 9.5384 9.6408 9.6408 11.3554 11.3554 11.5671 11.5671 13.3650 13.3650 13.3749 13.3749 13.5560 13.5560 13.5918 13.5918 14.3469 14.3469 14.3494 14.3494 14.7905 14.7905 k = 0.2292 0.3969 0.3781 ( 8018 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5927 -20.5927 -20.5907 -20.5907 -20.0125 -20.0125 -20.0105 -20.0105 -19.7877 -19.7877 -19.7860 -19.7860 5.8008 5.8008 5.9155 5.9155 6.5633 6.5633 6.6826 6.6826 6.9292 6.9292 7.2446 7.2446 7.7950 7.7950 7.9502 7.9502 8.2408 8.2408 8.3556 8.3556 8.8686 8.8686 9.0585 9.0585 9.6141 9.6141 9.6929 9.6929 11.4203 11.4203 11.6334 11.6334 13.3600 13.3600 13.3677 13.3677 13.5665 13.5665 13.6039 13.6039 14.3390 14.3390 14.3422 14.3422 14.8326 14.8326 k = 0.2222 0.3849 0.3781 ( 8006 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5926 -20.5926 -20.5906 -20.5906 -20.0124 -20.0124 -20.0104 -20.0104 -19.7877 -19.7877 -19.7860 -19.7860 5.7517 5.7517 5.8498 5.8498 6.5593 6.5593 6.6763 6.6763 6.9292 6.9292 7.2248 7.2248 7.8165 7.8165 7.9370 7.9370 8.2446 8.2446 8.3647 8.3647 8.8614 8.8614 9.0394 9.0394 9.6965 9.6965 9.7533 9.7533 11.4860 11.4860 11.7001 11.7001 13.3553 13.3553 13.3608 13.3608 13.5788 13.5788 13.6179 13.6179 14.3286 14.3286 14.3325 14.3325 14.8803 14.8803 k = 0.2153 0.3729 0.3781 ( 8012 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5925 -20.5925 -20.5906 -20.5906 -20.0123 -20.0123 -20.0103 -20.0103 -19.7877 -19.7877 -19.7860 -19.7860 5.7004 5.7004 5.7841 5.7841 6.5562 6.5562 6.6704 6.6704 6.9293 6.9293 7.2060 7.2060 7.8334 7.8334 7.9234 7.9234 8.2484 8.2484 8.3717 8.3717 8.8535 8.8535 9.0198 9.0198 9.7849 9.7849 9.8216 9.8216 11.5523 11.5523 11.7669 11.7669 13.3512 13.3512 13.3546 13.3546 13.5926 13.5926 13.6333 13.6333 14.3164 14.3164 14.3209 14.3209 14.9331 14.9331 k = 0.2083 0.3608 0.3781 ( 8004 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5924 -20.5924 -20.5905 -20.5905 -20.0121 -20.0121 -20.0102 -20.0102 -19.7877 -19.7877 -19.7860 -19.7860 5.6476 5.6476 5.7187 5.7187 6.5540 6.5540 6.6649 6.6649 6.9294 6.9294 7.1882 7.1882 7.8459 7.8459 7.9095 7.9095 8.2523 8.2523 8.3767 8.3767 8.8451 8.8451 8.9997 8.9997 9.8788 9.8788 9.8972 9.8972 11.6189 11.6189 11.8334 11.8334 13.3478 13.3478 13.3493 13.3493 13.6075 13.6075 13.6502 13.6502 14.3029 14.3029 14.3081 14.3081 14.9905 14.9905 k = 0.2014 0.3488 0.3781 ( 8006 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5923 -20.5923 -20.5904 -20.5904 -20.0120 -20.0120 -20.0101 -20.0101 -19.7877 -19.7877 -19.7860 -19.7860 5.5935 5.5935 5.6537 5.6537 6.5526 6.5526 6.6598 6.6598 6.9296 6.9296 7.1712 7.1712 7.8545 7.8545 7.8958 7.8958 8.2561 8.2561 8.3800 8.3800 8.8359 8.8359 8.9793 8.9793 9.9776 9.9776 9.9796 9.9796 11.6855 11.6855 11.8995 11.8995 13.3448 13.3448 13.3454 13.3454 13.6235 13.6235 13.6681 13.6681 14.2885 14.2885 14.2944 14.2944 15.0523 15.0523 k = 0.1944 0.3368 0.3781 ( 8006 PWs) bands (ev): -43.8774 -43.8774 -43.8755 -43.8755 -20.5922 -20.5922 -20.5904 -20.5904 -20.0118 -20.0118 -20.0099 -20.0099 -19.7877 -19.7877 -19.7860 -19.7860 5.5386 5.5386 5.5894 5.5894 6.5520 6.5520 6.6549 6.6549 6.9299 6.9299 7.1550 7.1550 7.8595 7.8595 7.8823 7.8823 8.2600 8.2600 8.3818 8.3818 8.8261 8.8261 8.9588 8.9588 10.0681 10.0681 10.0808 10.0808 11.7518 11.7518 11.9648 11.9648 13.3416 13.3416 13.3437 13.3437 13.6403 13.6403 13.6871 13.6871 14.2736 14.2736 14.2802 14.2802 15.1181 15.1181 k = 0.1875 0.3248 0.3781 ( 7990 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5921 -20.5921 -20.5903 -20.5903 -20.0117 -20.0117 -20.0098 -20.0098 -19.7877 -19.7877 -19.7860 -19.7860 5.4832 5.4832 5.5260 5.5260 6.5520 6.5520 6.6503 6.6503 6.9303 6.9303 7.1394 7.1394 7.8614 7.8614 7.8693 7.8693 8.2638 8.2638 8.3824 8.3824 8.8155 8.8155 8.9381 8.9381 10.1622 10.1622 10.1879 10.1879 11.8177 11.8177 12.0293 12.0293 13.3395 13.3395 13.3431 13.3431 13.6578 13.6578 13.7068 13.7068 14.2582 14.2582 14.2658 14.2658 15.1878 15.1878 k = 0.1806 0.3127 0.3781 ( 7990 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5920 -20.5920 -20.5902 -20.5902 -20.0115 -20.0115 -20.0097 -20.0097 -19.7877 -19.7877 -19.7860 -19.7860 5.4277 5.4277 5.4636 5.4636 6.5526 6.5526 6.6459 6.6459 6.9309 6.9309 7.1245 7.1245 7.8568 7.8568 7.8607 7.8607 8.2676 8.2676 8.3819 8.3819 8.8043 8.8043 8.9172 8.9172 10.2613 10.2613 10.2984 10.2984 11.8829 11.8829 12.0926 12.0926 13.3385 13.3385 13.3435 13.3435 13.6759 13.6759 13.7271 13.7271 14.2427 14.2427 14.2512 14.2512 15.2612 15.2612 k = 0.1736 0.3007 0.3781 ( 7986 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5919 -20.5919 -20.5901 -20.5901 -20.0113 -20.0113 -20.0095 -20.0095 -19.7878 -19.7878 -19.7860 -19.7860 5.3723 5.3723 5.4024 5.4024 6.5537 6.5537 6.6416 6.6416 6.9317 6.9317 7.1103 7.1103 7.8449 7.8449 7.8579 7.8579 8.2714 8.2714 8.3805 8.3805 8.7923 8.7923 8.8962 8.8962 10.3648 10.3648 10.4117 10.4117 11.9472 11.9472 12.1546 12.1546 13.3386 13.3386 13.3448 13.3448 13.6945 13.6945 13.7478 13.7478 14.2272 14.2272 14.2368 14.2368 15.3382 15.3382 k = 0.1667 0.2887 0.3781 ( 7994 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5918 -20.5918 -20.5900 -20.5900 -20.0112 -20.0112 -20.0094 -20.0094 -19.7878 -19.7878 -19.7860 -19.7860 5.3175 5.3175 5.3426 5.3426 6.5552 6.5552 6.6375 6.6375 6.9327 6.9327 7.0966 7.0966 7.8336 7.8336 7.8532 7.8532 8.2751 8.2751 8.3786 8.3786 8.7796 8.7796 8.8751 8.8751 10.4722 10.4722 10.5275 10.5275 12.0105 12.0105 12.2152 12.2152 13.3397 13.3397 13.3471 13.3471 13.7133 13.7133 13.7688 13.7688 14.2118 14.2118 14.2226 14.2226 15.4186 15.4186 k = 0.1597 0.2766 0.3781 ( 7994 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5917 -20.5917 -20.5899 -20.5899 -20.0110 -20.0110 -20.0092 -20.0092 -19.7878 -19.7878 -19.7860 -19.7860 5.2634 5.2634 5.2843 5.2843 6.5571 6.5571 6.6335 6.6335 6.9338 6.9338 7.0835 7.0835 7.8231 7.8231 7.8472 7.8472 8.2787 8.2787 8.3762 8.3762 8.7663 8.7663 8.8538 8.8538 10.5830 10.5830 10.6453 10.6453 12.0726 12.0726 12.2741 12.2741 13.3418 13.3418 13.3502 13.3502 13.7322 13.7322 13.7899 13.7899 14.1967 14.1967 14.2087 14.2087 15.5022 15.5022 k = 0.1528 0.2646 0.3781 ( 7990 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5916 -20.5916 -20.5898 -20.5898 -20.0108 -20.0108 -20.0090 -20.0090 -19.7878 -19.7878 -19.7860 -19.7860 5.2104 5.2104 5.2276 5.2276 6.5592 6.5592 6.6295 6.6295 6.9352 6.9352 7.0710 7.0710 7.8132 7.8132 7.8402 7.8402 8.2824 8.2824 8.3735 8.3735 8.7524 8.7524 8.8325 8.8325 10.6965 10.6965 10.7648 10.7648 12.1335 12.1335 12.3312 12.3312 13.3448 13.3448 13.3540 13.3540 13.7512 13.7512 13.8109 13.8109 14.1818 14.1818 14.1953 14.1953 15.5888 15.5888 k = 0.1458 0.2526 0.3781 ( 7996 PWs) bands (ev): -43.8774 -43.8774 -43.8756 -43.8756 -20.5915 -20.5915 -20.5897 -20.5897 -20.0106 -20.0106 -20.0089 -20.0089 -19.7878 -19.7878 -19.7860 -19.7860 5.1585 5.1585 5.1727 5.1727 6.5614 6.5614 6.6256 6.6256 6.9368 6.9368 7.0591 7.0591 7.8041 7.8041 7.8324 7.8324 8.2860 8.2860 8.3707 8.3707 8.7380 8.7380 8.8110 8.8110 10.8124 10.8124 10.8854 10.8854 12.1929 12.1929 12.3864 12.3864 13.3485 13.3485 13.3585 13.3585 13.7700 13.7700 13.8315 13.8315 14.1673 14.1673 14.1824 14.1824 15.6781 15.6781 k = 0.1389 0.2406 0.3781 ( 7988 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5914 -20.5914 -20.5896 -20.5896 -20.0105 -20.0105 -20.0087 -20.0087 -19.7878 -19.7878 -19.7860 -19.7860 5.1081 5.1081 5.1197 5.1197 6.5637 6.5637 6.6217 6.6217 6.9386 6.9386 7.0479 7.0479 7.7956 7.7956 7.8241 7.8241 8.2896 8.2896 8.3678 8.3678 8.7231 8.7231 8.7896 8.7896 10.9301 10.9301 11.0068 11.0068 12.2508 12.2508 12.4396 12.4396 13.3529 13.3529 13.3635 13.3635 13.7885 13.7885 13.8518 13.8518 14.1533 14.1533 14.1701 14.1701 15.7694 15.7694 k = 0.1319 0.2285 0.3781 ( 7992 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5913 -20.5913 -20.5895 -20.5895 -20.0103 -20.0103 -20.0086 -20.0086 -19.7878 -19.7878 -19.7860 -19.7860 5.0592 5.0592 5.0687 5.0687 6.5660 6.5660 6.6179 6.6179 6.9406 6.9406 7.0373 7.0373 7.7878 7.7878 7.8156 7.8156 8.2933 8.2933 8.3649 8.3649 8.7078 8.7078 8.7680 8.7680 11.0491 11.0491 11.1285 11.1285 12.3072 12.3072 12.4907 12.4907 13.3579 13.3579 13.3690 13.3690 13.8066 13.8066 13.8713 13.8713 14.1397 14.1397 14.1585 14.1585 15.8612 15.8612 k = 0.1250 0.2165 0.3781 ( 7988 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5912 -20.5912 -20.5894 -20.5894 -20.0101 -20.0101 -20.0084 -20.0084 -19.7878 -19.7878 -19.7860 -19.7860 5.0121 5.0121 5.0198 5.0198 6.5682 6.5682 6.6141 6.6141 6.9427 6.9427 7.0276 7.0276 7.7806 7.7806 7.8070 7.8070 8.2971 8.2971 8.3622 8.3622 8.6922 8.6922 8.7466 8.7466 11.1690 11.1690 11.2502 11.2502 12.3620 12.3620 12.5395 12.5395 13.3632 13.3632 13.3748 13.3748 13.8242 13.8242 13.8901 13.8901 14.1268 14.1268 14.1476 14.1476 15.9501 15.9501 k = 0.1181 0.2045 0.3781 ( 7984 PWs) bands (ev): -43.8775 -43.8775 -43.8756 -43.8756 -20.5911 -20.5911 -20.5894 -20.5894 -20.0100 -20.0100 -20.0083 -20.0083 -19.7878 -19.7878 -19.7860 -19.7860 4.9668 4.9668 4.9730 4.9730 6.5703 6.5703 6.6104 6.6104 6.9450 6.9450 7.0186 7.0186 7.7740 7.7740 7.7985 7.7985 8.3010 8.3010 8.3597 8.3597 8.6763 8.6763 8.7251 8.7251 11.2891 11.2891 11.3712 11.3712 12.4151 12.4151 12.5861 12.5861 13.3689 13.3689 13.3808 13.3808 13.8410 13.8410 13.9078 13.9078 14.1145 14.1145 14.1375 14.1375 16.0251 16.0251 k = 0.1111 0.1925 0.3781 ( 7988 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5910 -20.5910 -20.5893 -20.5893 -20.0098 -20.0098 -20.0081 -20.0081 -19.7878 -19.7878 -19.7860 -19.7860 4.9236 4.9236 4.9285 4.9285 6.5722 6.5722 6.6067 6.6067 6.9473 6.9473 7.0103 7.0103 7.7680 7.7680 7.7902 7.7902 8.3050 8.3050 8.3575 8.3575 8.6603 8.6603 8.7039 8.7039 11.4091 11.4091 11.4911 11.4911 12.4666 12.4666 12.6304 12.6304 13.3748 13.3748 13.3869 13.3869 13.8570 13.8570 13.9242 13.9242 14.1031 14.1031 14.1282 14.1282 16.0715 16.0716 k = 0.1042 0.1804 0.3781 ( 7984 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5909 -20.5909 -20.5892 -20.5892 -20.0097 -20.0097 -20.0080 -20.0080 -19.7878 -19.7878 -19.7860 -19.7860 4.8825 4.8825 4.8864 4.8864 6.5738 6.5738 6.6031 6.6031 6.9497 6.9497 7.0030 7.0030 7.7625 7.7625 7.7822 7.7822 8.3092 8.3092 8.3558 8.3558 8.6441 8.6441 8.6828 8.6828 11.5283 11.5283 11.6094 11.6094 12.5166 12.5166 12.6723 12.6723 13.3807 13.3807 13.3928 13.3928 13.8720 13.8720 13.9392 13.9392 14.0925 14.0925 14.1197 14.1197 16.0911 16.0916 k = 0.0972 0.1684 0.3781 ( 7972 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5908 -20.5908 -20.5891 -20.5891 -20.0095 -20.0095 -20.0078 -20.0078 -19.7878 -19.7878 -19.7861 -19.7861 4.8436 4.8436 4.8467 4.8467 6.5751 6.5751 6.5996 6.5996 6.9521 6.9521 6.9964 6.9964 7.7576 7.7576 7.7747 7.7747 8.3136 8.3136 8.3545 8.3545 8.6279 8.6279 8.6619 8.6619 11.6462 11.6462 11.7254 11.7254 12.5649 12.5649 12.7118 12.7118 13.3864 13.3864 13.3985 13.3985 13.8861 13.8861 13.9524 13.9524 14.0831 14.0831 14.1121 14.1121 16.1000 16.1000 k = 0.0903 0.1564 0.3781 ( 7980 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5907 -20.5907 -20.5890 -20.5890 -20.0094 -20.0094 -20.0077 -20.0077 -19.7878 -19.7878 -19.7861 -19.7861 4.8070 4.8070 4.8094 4.8094 6.5762 6.5762 6.5962 6.5962 6.9545 6.9545 6.9907 6.9907 7.7531 7.7531 7.7676 7.7676 8.3183 8.3183 8.3537 8.3537 8.6118 8.6118 8.6414 8.6414 11.7620 11.7620 11.8384 11.8384 12.6118 12.6118 12.7489 12.7489 13.3919 13.3919 13.4038 13.4038 13.8990 13.8990 13.9635 13.9635 14.0750 14.0750 14.1053 14.1053 16.1033 16.1033 k = 0.0833 0.1443 0.3781 ( 7976 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5907 -20.5907 -20.5889 -20.5889 -20.0093 -20.0093 -20.0075 -20.0075 -19.7878 -19.7878 -19.7861 -19.7861 4.7729 4.7729 4.7747 4.7747 6.5769 6.5769 6.5929 6.5929 6.9569 6.9569 6.9859 6.9859 7.7490 7.7490 7.7610 7.7610 8.3233 8.3233 8.3536 8.3536 8.5957 8.5957 8.6212 8.6212 11.8751 11.8751 11.9476 11.9476 12.6575 12.6575 12.7838 12.7838 13.3968 13.3968 13.4085 13.4085 13.9108 13.9108 13.9723 13.9723 14.0685 14.0685 14.0992 14.0992 16.1007 16.1007 k = 0.0764 0.1323 0.3781 ( 7984 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5906 -20.5906 -20.5888 -20.5888 -20.0091 -20.0091 -20.0074 -20.0074 -19.7878 -19.7878 -19.7861 -19.7861 4.7412 4.7412 4.7426 4.7426 6.5773 6.5773 6.5899 6.5899 6.9591 6.9591 6.9818 6.9818 7.7453 7.7453 7.7550 7.7550 8.3286 8.3286 8.3541 8.3541 8.5798 8.5798 8.6015 8.6015 11.9846 11.9846 12.0522 12.0522 12.7020 12.7020 12.8166 12.8166 13.4012 13.4012 13.4124 13.4124 13.9214 13.9214 13.9784 13.9784 14.0639 14.0639 14.0938 14.0938 16.0921 16.0922 k = 0.0694 0.1203 0.3781 ( 7986 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5905 -20.5905 -20.5888 -20.5888 -20.0090 -20.0090 -20.0073 -20.0073 -19.7878 -19.7878 -19.7861 -19.7861 4.7121 4.7121 4.7131 4.7131 6.5774 6.5774 6.5870 6.5870 6.9612 6.9612 6.9785 6.9785 7.7420 7.7420 7.7496 7.7496 8.3342 8.3342 8.3553 8.3553 8.5642 8.5642 8.5822 8.5822 12.0897 12.0897 12.1511 12.1511 12.7457 12.7457 12.8475 12.8475 13.4047 13.4047 13.4153 13.4153 13.9309 13.9309 13.9818 13.9818 14.0613 14.0613 14.0890 14.0890 16.0779 16.0779 k = 0.0625 0.1083 0.3781 ( 7990 PWs) bands (ev): -43.8775 -43.8775 -43.8757 -43.8757 -20.5904 -20.5904 -20.5887 -20.5887 -20.0089 -20.0089 -20.0072 -20.0072 -19.7878 -19.7878 -19.7861 -19.7861 4.6856 4.6856 4.6863 4.6863 6.5773 6.5773 6.5843 6.5843 6.9631 6.9631 6.9758 6.9758 7.7390 7.7390 7.7447 7.7447 8.3402 8.3402 8.3572 8.3572 8.5489 8.5489 8.5636 8.5636 12.1892 12.1892 12.2434 12.2434 12.7889 12.7889 12.8767 12.8767 13.4071 13.4071 13.4169 13.4169 13.9394 13.9394 13.9828 13.9828 14.0603 14.0603 14.0846 14.0846 16.0588 16.0588 k = 0.0556 0.0962 0.3781 ( 7990 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5904 -20.5904 -20.5887 -20.5887 -20.0088 -20.0088 -20.0071 -20.0071 -19.7878 -19.7878 -19.7861 -19.7861 4.6617 4.6617 4.6622 4.6622 6.5769 6.5769 6.5819 6.5819 6.9648 6.9648 6.9738 6.9738 7.7363 7.7363 7.7404 7.7404 8.3466 8.3466 8.3599 8.3599 8.5340 8.5340 8.5457 8.5457 12.2820 12.2820 12.3278 12.3278 12.8317 12.8317 12.9047 12.9047 13.4083 13.4083 13.4171 13.4171 13.9468 13.9468 13.9820 13.9820 14.0605 14.0605 14.0805 14.0805 16.0360 16.0363 k = 0.0486 0.0842 0.3781 ( 8002 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5903 -20.5903 -20.5886 -20.5886 -20.0087 -20.0087 -20.0070 -20.0070 -19.7878 -19.7878 -19.7861 -19.7861 4.6405 4.6405 4.6409 4.6409 6.5764 6.5764 6.5798 6.5798 6.9663 6.9663 6.9724 6.9724 7.7339 7.7339 7.7368 7.7368 8.3533 8.3533 8.3634 8.3634 8.5195 8.5195 8.5285 8.5285 12.3668 12.3668 12.4032 12.4032 12.8742 12.8742 12.9319 12.9319 13.4080 13.4080 13.4157 13.4157 13.9533 13.9533 13.9801 13.9801 14.0612 14.0612 14.0767 14.0767 16.0111 16.0114 k = 0.0417 0.0722 0.3781 ( 8006 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5903 -20.5903 -20.5886 -20.5886 -20.0087 -20.0087 -20.0069 -20.0069 -19.7878 -19.7878 -19.7861 -19.7861 4.6221 4.6221 4.6224 4.6224 6.5758 6.5758 6.5779 6.5779 6.9675 6.9675 6.9714 6.9714 7.7318 7.7318 7.7337 7.7337 8.3604 8.3604 8.3677 8.3677 8.5056 8.5056 8.5121 8.5121 12.4420 12.4420 12.4689 12.4689 12.9162 12.9162 12.9587 12.9587 13.4062 13.4062 13.4125 13.4125 13.9589 13.9589 13.9779 13.9779 14.0619 14.0619 14.0730 14.0730 15.9854 15.9854 k = 0.0347 0.0601 0.3781 ( 7994 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0086 -20.0086 -20.0069 -20.0069 -19.7878 -19.7878 -19.7861 -19.7861 4.6064 4.6064 4.6067 4.6067 6.5751 6.5751 6.5764 6.5764 6.9686 6.9686 6.9708 6.9708 7.7300 7.7300 7.7311 7.7311 8.3678 8.3678 8.3728 8.3728 8.4923 8.4923 8.4968 8.4968 12.5064 12.5064 12.5242 12.5242 12.9570 12.9570 12.9853 12.9853 13.4029 13.4029 13.4076 13.4076 13.9636 13.9636 13.9759 13.9759 14.0622 14.0622 14.0695 14.0695 15.9604 15.9606 k = 0.0278 0.0481 0.3781 ( 7992 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0085 -20.0085 -20.0068 -20.0068 -19.7878 -19.7878 -19.7861 -19.7861 4.5936 4.5936 4.5938 4.5938 6.5745 6.5745 6.5751 6.5751 6.9693 6.9693 6.9705 6.9705 7.7285 7.7285 7.7291 7.7291 8.3754 8.3754 8.3784 8.3784 8.4798 8.4798 8.4826 8.4826 12.5588 12.5588 12.5690 12.5690 12.9951 12.9951 13.0115 13.0115 13.3981 13.3981 13.4013 13.4013 13.9673 13.9673 13.9743 13.9743 14.0622 14.0622 14.0664 14.0664 15.9377 15.9379 k = 0.0208 0.0361 0.3781 ( 7984 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5885 -20.5885 -20.0085 -20.0085 -20.0068 -20.0068 -19.7878 -19.7878 -19.7861 -19.7861 4.5835 4.5835 4.5838 4.5838 6.5739 6.5739 6.5742 6.5742 6.9699 6.9699 6.9704 6.9704 7.7273 7.7273 7.7275 7.7275 8.3829 8.3829 8.3844 8.3844 8.4685 8.4685 8.4699 8.4699 12.5988 12.5988 12.6035 12.6035 13.0285 13.0285 13.0363 13.0363 13.3924 13.3924 13.3942 13.3942 13.9700 13.9700 13.9733 13.9733 14.0617 14.0617 14.0638 14.0638 15.9184 15.9185 k = 0.0139 0.0241 0.3781 ( 7976 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0085 -20.0085 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5764 4.5764 4.5766 4.5766 6.5734 6.5734 6.5735 6.5735 6.9703 6.9703 6.9704 6.9704 7.7264 7.7264 7.7265 7.7265 8.3898 8.3898 8.3903 8.3903 8.4587 8.4587 8.4593 8.4593 12.6265 12.6265 12.6280 12.6280 13.0548 13.0548 13.0574 13.0574 13.3866 13.3866 13.3875 13.3875 13.9716 13.9716 13.9731 13.9731 14.0608 14.0608 14.0620 14.0620 15.9040 15.9040 k = 0.0069 0.0120 0.3781 ( 7948 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0084 -20.0084 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5721 4.5721 4.5723 4.5723 6.5731 6.5731 6.5731 6.5731 6.9704 6.9704 6.9705 6.9705 7.7258 7.7258 7.7259 7.7259 8.3950 8.3950 8.3951 8.3951 8.4517 8.4517 8.4518 8.4518 12.6423 12.6423 12.6430 12.6430 13.0714 13.0714 13.0723 13.0723 13.3820 13.3820 13.3827 13.3827 13.9723 13.9723 13.9733 13.9733 14.0600 14.0600 14.0611 14.0611 15.8949 15.8950 k = 0.0000 0.0000 0.3781 ( 7952 PWs) bands (ev): -43.8776 -43.8776 -43.8757 -43.8757 -20.5902 -20.5902 -20.5884 -20.5884 -20.0084 -20.0084 -20.0067 -20.0067 -19.7878 -19.7878 -19.7861 -19.7861 4.5706 4.5706 4.5708 4.5708 6.5730 6.5730 6.5730 6.5730 6.9705 6.9705 6.9705 6.9705 7.7256 7.7256 7.7257 7.7257 8.3970 8.3970 8.3971 8.3971 8.4489 8.4489 8.4490 8.4490 12.6474 12.6474 12.6481 12.6481 13.0770 13.0770 13.0778 13.0778 13.3803 13.3803 13.3810 13.3810 13.9724 13.9724 13.9734 13.9734 14.0597 14.0597 14.0608 14.0608 15.8918 15.8918 k = 0.5000 0.2887 0.3781 ( 8004 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5928 -20.5928 -20.5910 -20.5910 -20.0127 -20.0127 -20.0110 -20.0110 -19.7877 -19.7877 -19.7860 -19.7860 5.9644 5.9644 5.9645 5.9645 6.6445 6.6445 6.6446 6.6446 7.4498 7.4498 7.4498 7.4498 7.6296 7.6296 7.6297 7.6297 8.4160 8.4160 8.4160 8.4160 8.6678 8.6678 8.6678 8.6678 9.3380 9.3380 9.3380 9.3380 11.7653 11.7653 11.7656 11.7656 13.2707 13.2707 13.2714 13.2714 13.9809 13.9809 13.9820 13.9820 14.0194 14.0194 14.0205 14.0205 14.4627 14.4630 k = 0.5000 0.2887 0.3641 ( 7990 PWs) bands (ev): -43.8778 -43.8778 -43.8750 -43.8750 -20.5931 -20.5931 -20.5908 -20.5908 -20.0133 -20.0133 -20.0104 -20.0104 -19.7949 -19.7949 -19.7787 -19.7787 5.9373 5.9373 5.9896 5.9896 6.6332 6.6332 6.6567 6.6567 7.4216 7.4216 7.4769 7.4769 7.6079 7.6079 7.6538 7.6538 8.4102 8.4102 8.4216 8.4216 8.6552 8.6552 8.6798 8.6798 9.3034 9.3034 9.3783 9.3783 11.7574 11.7574 11.7723 11.7723 13.2395 13.2395 13.2977 13.2977 13.9663 13.9663 13.9758 13.9758 14.0121 14.0121 14.0494 14.0494 14.4154 14.4154 k = 0.5000 0.2887 0.3501 ( 7990 PWs) bands (ev): -43.8788 -43.8788 -43.8740 -43.8740 -20.5937 -20.5937 -20.5903 -20.5903 -20.0144 -20.0144 -20.0093 -20.0093 -19.8028 -19.8028 -19.7706 -19.7706 5.9084 5.9084 6.0123 6.0123 6.6230 6.6230 6.6692 6.6692 7.3933 7.3933 7.5006 7.5006 7.5902 7.5902 7.6801 7.6801 8.4045 8.4045 8.4270 8.4270 8.6420 8.6420 8.6911 8.6911 9.2750 9.2750 9.4239 9.4239 11.7483 11.7483 11.7779 11.7779 13.2035 13.2035 13.3189 13.3189 13.9346 13.9346 13.9665 13.9665 14.0213 14.0213 14.0839 14.0839 14.3687 14.3687 k = 0.5000 0.2887 0.3361 ( 7990 PWs) bands (ev): -43.8799 -43.8799 -43.8729 -43.8729 -20.5945 -20.5945 -20.5897 -20.5897 -20.0155 -20.0155 -20.0082 -20.0082 -19.8106 -19.8106 -19.7626 -19.7626 5.8782 5.8782 6.0321 6.0321 6.6143 6.6143 6.6818 6.6818 7.3653 7.3653 7.5153 7.5153 7.5817 7.5817 7.7083 7.7083 8.3988 8.3988 8.4321 8.4321 8.6284 8.6284 8.7015 8.7015 9.2530 9.2530 9.4744 9.4744 11.7381 11.7381 11.7822 11.7822 13.1637 13.1637 13.3342 13.3342 13.8992 13.8992 13.9570 13.9570 14.0340 14.0340 14.1198 14.1198 14.3235 14.3235 k = 0.5000 0.2887 0.3221 ( 7994 PWs) bands (ev): -43.8809 -43.8809 -43.8719 -43.8719 -20.5953 -20.5953 -20.5891 -20.5891 -20.0167 -20.0167 -20.0070 -20.0070 -19.8183 -19.8183 -19.7545 -19.7545 5.8470 5.8470 6.0487 6.0487 6.6075 6.6075 6.6944 6.6944 7.3380 7.3380 7.5136 7.5136 7.5893 7.5893 7.7384 7.7384 8.3934 8.3934 8.4368 8.4368 8.6143 8.6143 8.7111 8.7111 9.2379 9.2379 9.5296 9.5296 11.7271 11.7271 11.7852 11.7852 13.1206 13.1206 13.3435 13.3435 13.8616 13.8616 13.9480 13.9480 14.0479 14.0479 14.1563 14.1563 14.2806 14.2806 k = 0.5000 0.2887 0.3081 ( 7998 PWs) bands (ev): -43.8820 -43.8820 -43.8708 -43.8708 -20.5962 -20.5962 -20.5886 -20.5886 -20.0178 -20.0178 -20.0059 -20.0059 -19.8258 -19.8258 -19.7465 -19.7465 5.8153 5.8153 6.0617 6.0617 6.6030 6.6030 6.7067 6.7067 7.3117 7.3117 7.5008 7.5008 7.6071 7.6071 7.7702 7.7702 8.3883 8.3883 8.4412 8.4412 8.5999 8.5999 8.7197 8.7197 9.2300 9.2300 9.5891 9.5891 11.7152 11.7152 11.7868 11.7868 13.0749 13.0749 13.3465 13.3465 13.8215 13.8215 13.9397 13.9397 14.0624 14.0624 14.1917 14.1917 14.2420 14.2420 k = 0.5000 0.2887 0.2941 ( 8006 PWs) bands (ev): -43.8830 -43.8830 -43.8698 -43.8698 -20.5971 -20.5971 -20.5881 -20.5881 -20.0190 -20.0190 -20.0047 -20.0047 -19.8332 -19.8332 -19.7386 -19.7386 5.7832 5.7832 6.0709 6.0709 6.6011 6.6011 6.7186 6.7186 7.2865 7.2865 7.4845 7.4845 7.6272 7.6272 7.8035 7.8035 8.3836 8.3836 8.4451 8.4451 8.5853 8.5853 8.7271 8.7271 9.2292 9.2292 9.6527 9.6527 11.7028 11.7028 11.7870 11.7870 13.0272 13.0272 13.3431 13.3431 13.7785 13.7785 13.9320 13.9320 14.0772 14.0772 14.1957 14.1957 14.2384 14.2384 k = 0.5000 0.2887 0.2800 ( 8016 PWs) bands (ev): -43.8840 -43.8840 -43.8687 -43.8687 -20.5980 -20.5980 -20.5877 -20.5877 -20.0201 -20.0201 -20.0036 -20.0036 -19.8403 -19.8403 -19.7308 -19.7308 5.7510 5.7510 6.0763 6.0763 6.6019 6.6019 6.7300 6.7300 7.2625 7.2625 7.4672 7.4672 7.6469 7.6469 7.8378 7.8378 8.3794 8.3794 8.4487 8.4487 8.5706 8.5706 8.7335 8.7335 9.2358 9.2358 9.7202 9.7202 11.6898 11.6898 11.7859 11.7859 12.9778 12.9778 13.3333 13.3333 13.7321 13.7321 13.9250 13.9250 14.0913 14.0913 14.1653 14.1653 14.2736 14.2736 k = 0.5000 0.2887 0.2660 ( 8004 PWs) bands (ev): -43.8851 -43.8851 -43.8677 -43.8677 -20.5990 -20.5990 -20.5872 -20.5872 -20.0212 -20.0212 -20.0025 -20.0025 -19.8472 -19.8472 -19.7232 -19.7232 5.7191 5.7191 6.0780 6.0780 6.6054 6.6054 6.7408 6.7408 7.2397 7.2397 7.4499 7.4499 7.6652 7.6652 7.8727 7.8727 8.3758 8.3758 8.4522 8.4522 8.5562 8.5562 8.7387 8.7387 9.2495 9.2495 9.7912 9.7912 11.6764 11.6764 11.7835 11.7835 12.9273 12.9273 13.3170 13.3170 13.6824 13.6824 13.9187 13.9187 14.1006 14.1006 14.1408 14.1408 14.3108 14.3108 k = 0.5000 0.2887 0.2520 ( 7984 PWs) bands (ev): -43.8860 -43.8860 -43.8668 -43.8668 -20.6000 -20.6000 -20.5868 -20.5868 -20.0222 -20.0222 -20.0015 -20.0015 -19.8539 -19.8539 -19.7158 -19.7158 5.6875 5.6875 6.0763 6.0763 6.6115 6.6115 6.7511 6.7511 7.2181 7.2181 7.4327 7.4327 7.6818 7.6818 7.9077 7.9077 8.3726 8.3726 8.4555 8.4555 8.5422 8.5422 8.7429 8.7429 9.2700 9.2700 9.8655 9.8655 11.6627 11.6627 11.7798 11.7798 12.8761 12.8761 13.2944 13.2944 13.6292 13.6292 13.9129 13.9129 14.0911 14.0911 14.1382 14.1382 14.3479 14.3479 k = 0.5000 0.2887 0.2380 ( 7996 PWs) bands (ev): -43.8870 -43.8870 -43.8658 -43.8658 -20.6010 -20.6010 -20.5865 -20.5865 -20.0232 -20.0232 -20.0004 -20.0004 -19.8603 -19.8603 -19.7086 -19.7086 5.6566 5.6566 6.0715 6.0715 6.6199 6.6199 6.7607 6.7607 7.1978 7.1978 7.4158 7.4158 7.6967 7.6967 7.9422 7.9422 8.3700 8.3700 8.4589 8.4589 8.5288 8.5288 8.7461 8.7461 9.2970 9.2970 9.9430 9.9430 11.6489 11.6489 11.7749 11.7749 12.8245 12.8245 13.2655 13.2655 13.5730 13.5730 13.9077 13.9077 14.0698 14.0698 14.1506 14.1506 14.3841 14.3841 k = 0.5000 0.2887 0.2240 ( 8012 PWs) bands (ev): -43.8879 -43.8879 -43.8649 -43.8649 -20.6019 -20.6019 -20.5862 -20.5862 -20.0242 -20.0242 -19.9994 -19.9994 -19.8664 -19.8664 -19.7016 -19.7016 5.6266 5.6266 6.0642 6.0642 6.6303 6.6303 6.7696 6.7696 7.1787 7.1787 7.3992 7.3992 7.7097 7.7097 7.9755 7.9755 8.3678 8.3678 8.4627 8.4627 8.5164 8.5164 8.7484 8.7484 9.3299 9.3299 10.0234 10.0234 11.6351 11.6351 11.7689 11.7689 12.7726 12.7726 13.2304 13.2304 13.5141 13.5141 13.9030 13.9030 14.0483 14.0483 14.1659 14.1659 14.4192 14.4192 k = 0.5000 0.2887 0.2100 ( 8018 PWs) bands (ev): -43.8887 -43.8887 -43.8640 -43.8640 -20.6029 -20.6029 -20.5859 -20.5859 -20.0252 -20.0252 -19.9985 -19.9985 -19.8722 -19.8722 -19.6949 -19.6949 5.5975 5.5975 6.0550 6.0550 6.6423 6.6423 6.7779 6.7779 7.1607 7.1607 7.3831 7.3831 7.7211 7.7211 8.0073 8.0073 8.3660 8.3660 8.4669 8.4669 8.5052 8.5052 8.7499 8.7499 9.3682 9.3682 10.1064 10.1064 11.6214 11.6214 11.7618 11.7618 12.7208 12.7208 13.1892 13.1892 13.4532 13.4532 13.8988 13.8988 14.0287 14.0287 14.1818 14.1818 14.4530 14.4530 k = 0.5000 0.2887 0.1960 ( 8010 PWs) bands (ev): -43.8896 -43.8896 -43.8632 -43.8632 -20.6039 -20.6039 -20.5856 -20.5856 -20.0261 -20.0261 -19.9976 -19.9976 -19.8777 -19.8777 -19.6884 -19.6884 5.5697 5.5697 6.0443 6.0443 6.6555 6.6555 6.7856 6.7856 7.1439 7.1439 7.3672 7.3672 7.7309 7.7309 8.0370 8.0370 8.3643 8.3643 8.4716 8.4716 8.4959 8.4959 8.7506 8.7506 9.4114 9.4114 10.1917 10.1917 11.6080 11.6080 11.7539 11.7539 12.6693 12.6693 13.1422 13.1422 13.3912 13.3912 13.8951 13.8951 14.0110 14.0110 14.1978 14.1978 14.4852 14.4852 k = 0.5000 0.2887 0.1820 ( 8010 PWs) bands (ev): -43.8904 -43.8904 -43.8624 -43.8624 -20.6048 -20.6048 -20.5854 -20.5854 -20.0269 -20.0269 -19.9967 -19.9967 -19.8829 -19.8829 -19.6823 -19.6823 5.5431 5.5431 6.0326 6.0326 6.6696 6.6696 6.7927 6.7927 7.1282 7.1282 7.3519 7.3519 7.7392 7.7392 8.0642 8.0642 8.3626 8.3626 8.4756 8.4756 8.4899 8.4899 8.7504 8.7504 9.4588 9.4588 10.2790 10.2790 11.5949 11.5949 11.7451 11.7451 12.6181 12.6181 13.0895 13.0895 13.3287 13.3287 13.8917 13.8917 13.9952 13.9952 14.2135 14.2135 14.5156 14.5156 k = 0.5000 0.2887 0.1680 ( 7994 PWs) bands (ev): -43.8911 -43.8911 -43.8617 -43.8617 -20.6057 -20.6057 -20.5852 -20.5852 -20.0277 -20.0277 -19.9959 -19.9959 -19.8877 -19.8877 -19.6766 -19.6766 5.5181 5.5181 6.0203 6.0203 6.6842 6.6842 6.7991 6.7991 7.1135 7.1135 7.3370 7.3370 7.7462 7.7462 8.0887 8.0887 8.3606 8.3606 8.4746 8.4746 8.4918 8.4918 8.7494 8.7494 9.5098 9.5098 10.3679 10.3679 11.5822 11.5822 11.7356 11.7356 12.5675 12.5675 13.0316 13.0316 13.2668 13.2668 13.8887 13.8887 13.9812 13.9812 14.2288 14.2288 14.5442 14.5442 k = 0.5000 0.2887 0.1540 ( 8000 PWs) bands (ev): -43.8918 -43.8918 -43.8610 -43.8610 -20.6066 -20.6066 -20.5851 -20.5851 -20.0284 -20.0284 -19.9952 -19.9952 -19.8922 -19.8922 -19.6712 -19.6712 5.4946 5.4946 6.0079 6.0079 6.6990 6.6990 6.8050 6.8050 7.0998 7.0998 7.3226 7.3226 7.7519 7.7519 8.1102 8.1102 8.3582 8.3582 8.4706 8.4706 8.4999 8.4999 8.7476 8.7476 9.5634 9.5634 10.4579 10.4579 11.5701 11.5701 11.7256 11.7256 12.5176 12.5176 12.9688 12.9688 13.2063 13.2063 13.8861 13.8861 13.9687 13.9687 14.2434 14.2434 14.5709 14.5709 k = 0.5000 0.2887 0.1400 ( 7998 PWs) bands (ev): -43.8924 -43.8924 -43.8603 -43.8603 -20.6074 -20.6074 -20.5849 -20.5849 -20.0291 -20.0291 -19.9945 -19.9945 -19.8963 -19.8963 -19.6662 -19.6662 5.4728 5.4728 5.9956 5.9956 6.7139 6.7139 6.8104 6.8104 7.0870 7.0870 7.3089 7.3089 7.7566 7.7566 8.1289 8.1289 8.3552 8.3552 8.4671 8.4671 8.5106 8.5106 8.7449 8.7449 9.6191 9.6191 10.5485 10.5485 11.5586 11.5586 11.7153 11.7153 12.4688 12.4688 12.9015 12.9015 13.1484 13.1484 13.8837 13.8837 13.9577 13.9577 14.2573 14.2573 14.5954 14.5954 k = 0.5000 0.2887 0.1260 ( 8004 PWs) bands (ev): -43.8930 -43.8930 -43.8597 -43.8597 -20.6081 -20.6081 -20.5848 -20.5848 -20.0298 -20.0298 -19.9939 -19.9939 -19.9001 -19.9001 -19.6616 -19.6616 5.4529 5.4529 5.9838 5.9838 6.7285 6.7285 6.8152 6.8152 7.0751 7.0751 7.2959 7.2959 7.7604 7.7604 8.1447 8.1447 8.3518 8.3518 8.4646 8.4646 8.5233 8.5233 8.7412 8.7412 9.6756 9.6756 10.6389 10.6389 11.5477 11.5477 11.7049 11.7049 12.4214 12.4214 12.8305 12.8305 13.0937 13.0937 13.8816 13.8816 13.9481 13.9481 14.2703 14.2703 14.6179 14.6179 k = 0.5000 0.2887 0.1120 ( 7990 PWs) bands (ev): -43.8935 -43.8935 -43.8592 -43.8592 -20.6088 -20.6088 -20.5847 -20.5847 -20.0303 -20.0303 -19.9933 -19.9933 -19.9034 -19.9034 -19.6574 -19.6574 5.4348 5.4348 5.9727 5.9727 6.7427 6.7427 6.8194 6.8194 7.0641 7.0641 7.2837 7.2837 7.7634 7.7634 8.1579 8.1579 8.3480 8.3480 8.4630 8.4630 8.5373 8.5373 8.7366 8.7366 9.7320 9.7320 10.7282 10.7282 11.5376 11.5376 11.6949 11.6949 12.3759 12.3759 12.7566 12.7566 13.0433 13.0433 13.8798 13.8798 13.9397 13.9397 14.2823 14.2823 14.6381 14.6381 k = 0.5000 0.2887 0.0980 ( 7996 PWs) bands (ev): -43.8940 -43.8940 -43.8587 -43.8587 -20.6095 -20.6095 -20.5846 -20.5846 -20.0308 -20.0308 -19.9928 -19.9928 -19.9064 -19.9064 -19.6537 -19.6537 5.4186 5.4186 5.9625 5.9625 6.7562 6.7562 6.8232 6.8232 7.0540 7.0540 7.2725 7.2725 7.7657 7.7657 8.1689 8.1689 8.3441 8.3441 8.4622 8.4622 8.5524 8.5524 8.7310 8.7310 9.7871 9.7871 10.8153 10.8153 11.5281 11.5281 11.6857 11.6857 12.3330 12.3330 12.6808 12.6808 12.9978 12.9978 13.8782 13.8782 13.9324 13.9324 14.2931 14.2931 14.6560 14.6560 k = 0.5000 0.2887 0.0840 ( 7984 PWs) bands (ev): -43.8944 -43.8944 -43.8583 -43.8583 -20.6101 -20.6101 -20.5845 -20.5845 -20.0313 -20.0313 -19.9923 -19.9923 -19.9090 -19.9090 -19.6505 -19.6505 5.4045 5.4045 5.9533 5.9533 6.7687 6.7687 6.8264 6.8264 7.0449 7.0449 7.2624 7.2624 7.7675 7.7675 8.1778 8.1778 8.3401 8.3401 8.4619 8.4619 8.5683 8.5683 8.7243 8.7243 9.8396 9.8396 10.8986 10.8986 11.5192 11.5192 11.6780 11.6780 12.2935 12.2935 12.6048 12.6048 12.9576 12.9576 13.8768 13.8768 13.9263 13.9263 14.3027 14.3027 14.6717 14.6717 k = 0.5000 0.2887 0.0700 ( 8006 PWs) bands (ev): -43.8948 -43.8948 -43.8580 -43.8580 -20.6105 -20.6105 -20.5844 -20.5844 -20.0317 -20.0317 -19.9920 -19.9920 -19.9112 -19.9112 -19.6477 -19.6477 5.3925 5.3925 5.9453 5.9453 6.7801 6.7801 6.8292 6.8292 7.0367 7.0367 7.2536 7.2536 7.7688 7.7688 8.1850 8.1850 8.3363 8.3363 8.4619 8.4619 8.5845 8.5845 8.7165 8.7165 9.8879 9.8879 10.9760 10.9760 11.5111 11.5111 11.6728 11.6728 12.2582 12.2582 12.5302 12.5302 12.9232 12.9232 13.8755 13.8755 13.9213 13.9213 14.3110 14.3110 14.6850 14.6850 k = 0.5000 0.2887 0.0560 ( 8006 PWs) bands (ev): -43.8951 -43.8951 -43.8577 -43.8577 -20.6110 -20.6110 -20.5844 -20.5844 -20.0320 -20.0320 -19.9917 -19.9917 -19.9131 -19.9131 -19.6454 -19.6454 5.3826 5.3826 5.9387 5.9387 6.7901 6.7901 6.8314 6.8314 7.0297 7.0297 7.2461 7.2461 7.7698 7.7698 8.1906 8.1906 8.3329 8.3329 8.4622 8.4622 8.6008 8.6008 8.7076 8.7076 9.9304 9.9304 11.0452 11.0452 11.5036 11.5036 11.6708 11.6708 12.2280 12.2280 12.4597 12.4597 12.8949 12.8949 13.8745 13.8745 13.9172 13.9172 14.3179 14.3179 14.6959 14.6959 k = 0.5000 0.2887 0.0420 ( 8006 PWs) bands (ev): -43.8953 -43.8953 -43.8574 -43.8574 -20.6113 -20.6113 -20.5843 -20.5843 -20.0322 -20.0322 -19.9914 -19.9914 -19.9145 -19.9145 -19.6437 -19.6437 5.3748 5.3748 5.9334 5.9334 6.7983 6.7983 6.8332 6.8332 7.0239 7.0239 7.2401 7.2401 7.7705 7.7705 8.1948 8.1948 8.3301 8.3301 8.4625 8.4625 8.6168 8.6168 8.6977 8.6977 9.9657 9.9657 11.1030 11.1030 11.4970 11.4970 11.6725 11.6725 12.2037 12.2037 12.3966 12.3966 12.8728 12.8728 13.8737 13.8737 13.9142 13.9142 14.3234 14.3234 14.7045 14.7045 k = 0.5000 0.2887 0.0280 ( 7996 PWs) bands (ev): -43.8954 -43.8954 -43.8573 -43.8573 -20.6115 -20.6115 -20.5843 -20.5843 -20.0324 -20.0324 -19.9912 -19.9912 -19.9155 -19.9155 -19.6424 -19.6424 5.3693 5.3693 5.9296 5.9296 6.8044 6.8044 6.8345 6.8345 7.0196 7.0196 7.2358 7.2358 7.7710 7.7710 8.1978 8.1978 8.3280 8.3280 8.4628 8.4628 8.6323 8.6323 8.6866 8.6866 9.9922 9.9922 11.1468 11.1468 11.4917 11.4917 11.6769 11.6769 12.1860 12.1860 12.3455 12.3455 12.8570 12.8570 13.8731 13.8731 13.9120 13.9120 14.3273 14.3273 14.7106 14.7106 k = 0.5000 0.2887 0.0140 ( 7988 PWs) bands (ev): -43.8955 -43.8955 -43.8572 -43.8572 -20.6116 -20.6116 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9161 -19.9161 -19.6416 -19.6416 5.3659 5.3659 5.9273 5.9273 6.8082 6.8082 6.8352 6.8352 7.0169 7.0169 7.2331 7.2331 7.7712 7.7712 8.1996 8.1996 8.3267 8.3267 8.4630 8.4630 8.6470 8.6470 8.6746 8.6746 10.0087 10.0087 11.1739 11.1739 11.4882 11.4882 11.6816 11.6816 12.1751 12.1751 12.3116 12.3116 12.8474 12.8474 13.8728 13.8728 13.9107 13.9107 14.3296 14.3296 14.7142 14.7142 k = 0.5000 0.2887-0.0000 ( 7976 PWs) bands (ev): -43.8956 -43.8956 -43.8571 -43.8571 -20.6117 -20.6117 -20.5843 -20.5843 -20.0325 -20.0325 -19.9911 -19.9911 -19.9163 -19.9163 -19.6413 -19.6413 5.3648 5.3648 5.9265 5.9265 6.8095 6.8095 6.8355 6.8355 7.0160 7.0160 7.2322 7.2322 7.7713 7.7713 8.2002 8.2002 8.3262 8.3262 8.4630 8.4630 8.6591 8.6591 8.6634 8.6634 10.0143 10.0143 11.1832 11.1832 11.4870 11.4870 11.6837 11.6837 12.1715 12.1715 12.2996 12.2996 12.8443 12.8443 13.8726 13.8726 13.9103 13.9103 14.3304 14.3304 14.7155 14.7155 k = 0.3333 0.5774-0.0000 ( 8004 PWs) bands (ev): -43.8955 -43.8955 -43.8571 -43.8571 -20.6119 -20.6119 -20.5847 -20.5847 -20.0332 -20.0332 -19.9915 -19.9915 -19.9162 -19.9162 -19.6414 -19.6414 5.7094 5.7094 5.9251 5.9251 6.8347 6.8347 6.8551 6.8551 7.0086 7.0086 7.5732 7.5732 7.9881 7.9881 8.0046 8.0046 8.2631 8.2631 8.3657 8.3657 8.8171 8.8171 8.8919 8.8919 9.2903 9.2903 10.5383 10.5383 10.6615 10.6615 12.0413 12.0413 12.0458 12.0458 12.5515 12.5515 13.0938 13.0938 13.8123 13.8123 13.8539 13.8539 14.9276 14.9276 14.9409 14.9409 k = 0.3333 0.5774 0.0140 ( 8001 PWs) bands (ev): -43.8955 -43.8955 -43.8572 -43.8572 -20.6118 -20.6118 -20.5847 -20.5847 -20.0331 -20.0331 -19.9916 -19.9916 -19.9160 -19.9160 -19.6417 -19.6417 5.7104 5.7104 5.9263 5.9263 6.8347 6.8347 6.8554 6.8554 7.0083 7.0083 7.5723 7.5723 7.9872 7.9872 8.0042 8.0042 8.2618 8.2618 8.3673 8.3673 8.8142 8.8142 8.8920 8.8920 9.2952 9.2952 10.5322 10.5322 10.6550 10.6550 12.0465 12.0465 12.0522 12.0522 12.5491 12.5491 13.0956 13.0956 13.8127 13.8127 13.8542 13.8542 14.9268 14.9268 14.9400 14.9400 k = 0.3333 0.5774 0.0280 ( 8010 PWs) bands (ev): -43.8954 -43.8954 -43.8573 -43.8573 -20.6117 -20.6117 -20.5847 -20.5847 -20.0330 -20.0330 -19.9917 -19.9917 -19.9154 -19.9154 -19.6425 -19.6425 5.7136 5.7136 5.9301 5.9301 6.8347 6.8347 6.8564 6.8564 7.0074 7.0074 7.5694 7.5694 7.9846 7.9846 8.0027 8.0027 8.2581 8.2581 8.3720 8.3720 8.8059 8.8059 8.8922 8.8922 9.3093 9.3093 10.5144 10.5144 10.6358 10.6358 12.0615 12.0615 12.0710 12.0710 12.5423 12.5423 13.1011 13.1011 13.8136 13.8136 13.8550 13.8550 14.9242 14.9242 14.9372 14.9372 k = 0.3333 0.5774 0.0420 ( 8001 PWs) bands (ev): -43.8952 -43.8952 -43.8574 -43.8574 -20.6115 -20.6115 -20.5847 -20.5847 -20.0328 -20.0328 -19.9918 -19.9918 -19.9144 -19.9144 -19.6438 -19.6438 5.7188 5.7188 5.9363 5.9363 6.8346 6.8346 6.8579 6.8579 7.0059 7.0059 7.5647 7.5647 7.9803 7.9803 8.0003 8.0003 8.2529 8.2529 8.3787 8.3787 8.7935 8.7935 8.8926 8.8926 9.3317 9.3317 10.4860 10.4860 10.6051 10.6051 12.0846 12.0846 12.1011 12.1011 12.5316 12.5316 13.1103 13.1103 13.8152 13.8152 13.8563 13.8563 14.9201 14.9201 14.9326 14.9326 k = 0.3333 0.5774 0.0560 ( 8013 PWs) bands (ev): -43.8950 -43.8950 -43.8577 -43.8577 -20.6112 -20.6112 -20.5848 -20.5848 -20.0326 -20.0326 -19.9921 -19.9921 -19.9130 -19.9130 -19.6455 -19.6455 5.7260 5.7260 5.9451 5.9451 6.8345 6.8345 6.8599 6.8599 7.0038 7.0038 7.5580 7.5580 7.9742 7.9742 7.9969 7.9969 8.2468 8.2468 8.3865 8.3865 8.7787 8.7787 8.8931 8.8931 9.3608 9.3608 10.4486 10.4486 10.5646 10.5646 12.1129 12.1129 12.1411 12.1411 12.5184 12.5184 13.1231 13.1231 13.8172 13.8172 13.8579 13.8579 14.9143 14.9143 14.9261 14.9261 k = 0.3333 0.5774 0.0700 ( 8007 PWs) bands (ev): -43.8947 -43.8947 -43.8579 -43.8579 -20.6108 -20.6108 -20.5848 -20.5848 -20.0323 -20.0323 -19.9924 -19.9924 -19.9112 -19.9112 -19.6478 -19.6478 5.7352 5.7352 5.9563 5.9563 6.8343 6.8343 6.8625 6.8625 7.0010 7.0010 7.5497 7.5497 7.9663 7.9663 7.9926 7.9926 8.2404 8.2404 8.3942 8.3942 8.7631 8.7631 8.8937 8.8937 9.3955 9.3955 10.4038 10.4038 10.5161 10.5161 12.1425 12.1425 12.1890 12.1890 12.5053 12.5053 13.1396 13.1396 13.8196 13.8196 13.8597 13.8597 14.9070 14.9070 14.9180 14.9180 k = 0.3333 0.5774 0.0840 ( 8013 PWs) bands (ev): -43.8944 -43.8944 -43.8583 -43.8583 -20.6103 -20.6103 -20.5849 -20.5849 -20.0319 -20.0319 -19.9928 -19.9928 -19.9090 -19.9090 -19.6506 -19.6506 5.7465 5.7465 5.9699 5.9699 6.8341 6.8341 6.8656 6.8656 6.9976 6.9976 7.5396 7.5396 7.9567 7.9567 7.9874 7.9874 8.2342 8.2342 8.4008 8.4008 8.7484 8.7484 8.8945 8.8945 9.4344 9.4344 10.3535 10.3535 10.4615 10.4615 12.1677 12.1677 12.2434 12.2434 12.4965 12.4965 13.1597 13.1597 13.8223 13.8223 13.8616 13.8616 14.8983 14.8983 14.9083 14.9083 k = 0.3333 0.5774 0.0980 ( 8007 PWs) bands (ev): -43.8940 -43.8940 -43.8587 -43.8587 -20.6097 -20.6097 -20.5850 -20.5850 -20.0315 -20.0315 -19.9932 -19.9932 -19.9064 -19.9064 -19.6538 -19.6538 5.7596 5.7596 5.9858 5.9858 6.8337 6.8337 6.8692 6.8692 6.9935 6.9935 7.5279 7.5279 7.9453 7.9453 7.9813 7.9813 8.2283 8.2283 8.4056 8.4056 8.7361 8.7361 8.8954 8.8954 9.4766 9.4766 10.2994 10.2994 10.4026 10.4026 12.1813 12.1813 12.3025 12.3025 12.4978 12.4978 13.1833 13.1833 13.8249 13.8249 13.8634 13.8634 14.8884 14.8884 14.8971 14.8971 k = 0.3333 0.5774 0.1120 ( 8001 PWs) bands (ev): -43.8935 -43.8935 -43.8592 -43.8592 -20.6091 -20.6091 -20.5851 -20.5851 -20.0310 -20.0310 -19.9937 -19.9937 -19.9034 -19.9034 -19.6575 -19.6575 5.7745 5.7745 6.0042 6.0042 6.8332 6.8332 6.8731 6.8731 6.9888 6.9888 7.5148 7.5148 7.9321 7.9321 7.9744 7.9744 8.2230 8.2230 8.4077 8.4077 8.7274 8.7274 8.8963 8.8963 9.5211 9.5211 10.2430 10.2430 10.3411 10.3411 12.1775 12.1775 12.3650 12.3650 12.5143 12.5143 13.2105 13.2105 13.8273 13.8273 13.8647 13.8647 14.8773 14.8773 14.8847 14.8847 k = 0.3333 0.5774 0.1260 ( 8004 PWs) bands (ev): -43.8930 -43.8930 -43.8597 -43.8597 -20.6084 -20.6084 -20.5852 -20.5852 -20.0304 -20.0304 -19.9943 -19.9943 -19.9000 -19.9000 -19.6617 -19.6617 5.7913 5.7913 6.0248 6.0248 6.8323 6.8323 6.8775 6.8775 6.9832 6.9832 7.5003 7.5003 7.9172 7.9172 7.9665 7.9665 8.2183 8.2183 8.4067 8.4067 8.7231 8.7231 8.8974 8.8974 9.5671 9.5671 10.1853 10.1853 10.2785 10.2785 12.1555 12.1555 12.4298 12.4298 12.5460 12.5460 13.2411 13.2411 13.8293 13.8293 13.8653 13.8653 14.8653 14.8653 14.8711 14.8711 k = 0.3333 0.5774 0.1400 ( 7998 PWs) bands (ev): -43.8924 -43.8924 -43.8603 -43.8603 -20.6076 -20.6076 -20.5853 -20.5853 -20.0298 -20.0298 -19.9949 -19.9949 -19.8963 -19.8963 -19.6663 -19.6663 5.8096 5.8096 6.0476 6.0476 6.8312 6.8312 6.8821 6.8821 6.9769 6.9769 7.4847 7.4847 7.9005 7.9005 7.9578 7.9578 8.2142 8.2142 8.4024 8.4024 8.7237 8.7237 8.8986 8.8986 9.6134 9.6134 10.1277 10.1277 10.2168 10.2168 12.1187 12.1187 12.4959 12.4959 12.5890 12.5890 13.2750 13.2750 13.8305 13.8305 13.8650 13.8650 14.8526 14.8526 14.8566 14.8566 k = 0.3333 0.5774 0.1540 ( 7992 PWs) bands (ev): -43.8917 -43.8917 -43.8609 -43.8609 -20.6068 -20.6068 -20.5854 -20.5854 -20.0291 -20.0291 -19.9956 -19.9956 -19.8921 -19.8921 -19.6713 -19.6713 5.8296 5.8296 6.0725 6.0725 6.8296 6.8296 6.8871 6.8871 6.9697 6.9697 7.4681 7.4681 7.8823 7.8823 7.9483 7.9483 8.2107 8.2107 8.3953 8.3953 8.7291 8.7291 8.8998 8.8998 9.6581 9.6581 10.0709 10.0709 10.1582 10.1582 12.0711 12.0711 12.5625 12.5625 12.6392 12.6392 13.3121 13.3121 13.8307 13.8307 13.8635 13.8635 14.8393 14.8393 14.8415 14.8415 k = 0.3333 0.5774 0.1680 ( 8010 PWs) bands (ev): -43.8911 -43.8911 -43.8616 -43.8616 -20.6059 -20.6059 -20.5856 -20.5856 -20.0283 -20.0283 -19.9964 -19.9964 -19.8877 -19.8877 -19.6766 -19.6766 5.8509 5.8509 6.0995 6.0995 6.8275 6.8275 6.8924 6.8924 6.9616 6.9616 7.4508 7.4508 7.8625 7.8625 7.9381 7.9381 8.2078 8.2078 8.3859 8.3859 8.7388 8.7388 8.9010 8.9010 9.6979 9.6979 10.0156 10.0156 10.1067 10.1067 12.0157 12.0157 12.6291 12.6291 12.6933 12.6933 13.3522 13.3522 13.8296 13.8296 13.8604 13.8604 14.8258 14.8258 14.8260 14.8260 k = 0.3333 0.5774 0.1820 ( 7986 PWs) bands (ev): -43.8903 -43.8903 -43.8624 -43.8624 -20.6050 -20.6050 -20.5858 -20.5858 -20.0275 -20.0275 -19.9972 -19.9972 -19.8828 -19.8828 -19.6824 -19.6824 5.8735 5.8735 6.1285 6.1285 6.8247 6.8247 6.8978 6.8978 6.9524 6.9524 7.4330 7.4330 7.8413 7.8413 7.9271 7.9271 8.2054 8.2054 8.3750 8.3750 8.7523 8.7523 8.9023 8.9023 9.7268 9.7268 9.9626 9.9626 10.0685 10.0685 11.9545 11.9545 12.6951 12.6951 12.7496 12.7496 13.3953 13.3953 13.8269 13.8269 13.8554 13.8554 14.8105 14.8105 14.8122 14.8122 k = 0.3333 0.5774 0.1960 ( 7986 PWs) bands (ev): -43.8895 -43.8895 -43.8632 -43.8632 -20.6041 -20.6041 -20.5860 -20.5860 -20.0267 -20.0267 -19.9981 -19.9981 -19.8777 -19.8777 -19.6885 -19.6885 5.8971 5.8971 6.1592 6.1592 6.8212 6.8212 6.9034 6.9034 6.9421 6.9421 7.4149 7.4149 7.8190 7.8190 7.9155 7.9155 8.2036 8.2036 8.3634 8.3634 8.7690 8.7690 8.9035 8.9035 9.7361 9.7361 9.9122 9.9122 10.0527 10.0527 11.8887 11.8887 12.7603 12.7603 12.8067 12.8067 13.4412 13.4412 13.8222 13.8222 13.8485 13.8485 14.7951 14.7951 14.7986 14.7986 k = 0.3333 0.5774 0.2100 ( 7998 PWs) bands (ev): -43.8887 -43.8887 -43.8640 -43.8640 -20.6032 -20.6032 -20.5863 -20.5863 -20.0258 -20.0258 -19.9990 -19.9990 -19.8722 -19.8722 -19.6949 -19.6949 5.9216 5.9216 6.1917 6.1917 6.8169 6.8169 6.9090 6.9090 6.9306 6.9306 7.3969 7.3969 7.7958 7.7958 7.9034 7.9034 8.2023 8.2023 8.3516 8.3516 8.7883 8.7883 8.9048 8.9048 9.7208 9.7208 9.8649 9.8649 10.0646 10.0646 11.8193 11.8193 12.8242 12.8242 12.8640 12.8640 13.4897 13.4897 13.8153 13.8153 13.8392 13.8392 14.7801 14.7801 14.7853 14.7853 k = 0.3333 0.5774 0.2240 ( 7995 PWs) bands (ev): -43.8878 -43.8878 -43.8649 -43.8649 -20.6022 -20.6022 -20.5865 -20.5865 -20.0248 -20.0248 -19.9999 -19.9999 -19.8664 -19.8664 -19.7016 -19.7016 5.9468 5.9468 6.2258 6.2258 6.8117 6.8117 6.9146 6.9146 6.9176 6.9176 7.3791 7.3791 7.7720 7.7720 7.8911 7.8911 8.2015 8.2015 8.3400 8.3400 8.8098 8.8098 8.9061 8.9061 9.6860 9.6860 9.8209 9.8209 10.0993 10.0993 11.7469 11.7469 12.8868 12.8868 12.9209 12.9209 13.5407 13.5407 13.8060 13.8060 13.8274 13.8274 14.7658 14.7658 14.7721 14.7721 k = 0.3333 0.5774 0.2380 ( 8016 PWs) bands (ev): -43.8869 -43.8869 -43.8658 -43.8658 -20.6012 -20.6012 -20.5868 -20.5868 -20.0239 -20.0239 -20.0009 -20.0009 -19.8602 -19.8602 -19.7086 -19.7086 5.9723 5.9723 6.2613 6.2613 6.8056 6.8056 6.9030 6.9030 6.9202 6.9202 7.3619 7.3619 7.7481 7.7481 7.8786 7.8786 8.2010 8.2010 8.3291 8.3291 8.8333 8.8333 8.9073 8.9073 9.6403 9.6403 9.7806 9.7806 10.1483 10.1483 11.6722 11.6722 12.9477 12.9477 12.9770 12.9770 13.5941 13.5941 13.7942 13.7942 13.8130 13.8130 14.7525 14.7525 14.7583 14.7583 k = 0.3333 0.5774 0.2520 ( 8040 PWs) bands (ev): -43.8860 -43.8860 -43.8667 -43.8667 -20.6003 -20.6003 -20.5872 -20.5872 -20.0228 -20.0228 -20.0019 -20.0019 -19.8538 -19.8538 -19.7158 -19.7158 5.9977 5.9977 6.2980 6.2980 6.7986 6.7986 6.8867 6.8867 6.9255 6.9255 7.3455 7.3455 7.7244 7.7244 7.8662 7.8662 8.2009 8.2009 8.3190 8.3190 8.8586 8.8586 8.9084 8.9084 9.5897 9.5897 9.7439 9.7439 10.2057 10.2057 11.5957 11.5957 13.0069 13.0069 13.0320 13.0320 13.6496 13.6496 13.7796 13.7796 13.7960 13.7960 14.7402 14.7402 14.7412 14.7412 k = 0.3333 0.5774 0.2660 ( 8019 PWs) bands (ev): -43.8850 -43.8850 -43.8677 -43.8677 -20.5993 -20.5993 -20.5876 -20.5876 -20.0218 -20.0218 -20.0030 -20.0030 -19.8472 -19.8472 -19.7233 -19.7233 6.0228 6.0228 6.3358 6.3358 6.7907 6.7907 6.8685 6.8685 6.9307 6.9307 7.3303 7.3303 7.7015 7.7015 7.8542 7.8542 8.2011 8.2011 8.3098 8.3098 8.8854 8.8854 8.9095 8.9095 9.5374 9.5374 9.7111 9.7111 10.2683 10.2683 11.5178 11.5178 13.0641 13.0641 13.0858 13.0858 13.7071 13.7071 13.7623 13.7623 13.7763 13.7763 14.7113 14.7113 14.7292 14.7292 k = 0.3333 0.5774 0.2800 ( 8013 PWs) bands (ev): -43.8840 -43.8840 -43.8687 -43.8687 -20.5984 -20.5984 -20.5880 -20.5880 -20.0207 -20.0207 -20.0041 -20.0041 -19.8403 -19.8403 -19.7309 -19.7309 6.0471 6.0471 6.3744 6.3744 6.7822 6.7822 6.8483 6.8483 6.9354 6.9354 7.3164 7.3164 7.6798 7.6798 7.8429 7.8429 8.2016 8.2016 8.3016 8.3016 8.9105 8.9105 8.9138 8.9138 9.4850 9.4850 9.6822 9.6822 10.3346 10.3346 11.4389 11.4389 13.1192 13.1192 13.1380 13.1380 13.7423 13.7423 13.7541 13.7541 13.7664 13.7664 14.6626 14.6626 14.7194 14.7194 k = 0.3333 0.5774 0.2941 ( 8013 PWs) bands (ev): -43.8830 -43.8830 -43.8697 -43.8697 -20.5974 -20.5974 -20.5884 -20.5884 -20.0196 -20.0196 -20.0052 -20.0052 -19.8331 -19.8331 -19.7386 -19.7386 6.0701 6.0701 6.4136 6.4136 6.7734 6.7734 6.8259 6.8259 6.9398 6.9398 7.3040 7.3040 7.6597 7.6597 7.8324 7.8324 8.2022 8.2022 8.2945 8.2945 8.9114 8.9114 8.9437 8.9437 9.4334 9.4334 9.6573 9.6573 10.4034 10.4034 11.3594 11.3594 13.1720 13.1720 13.1884 13.1884 13.7199 13.7199 13.7296 13.7296 13.8274 13.8274 14.6048 14.6048 14.7110 14.7110 k = 0.3333 0.5774 0.3081 ( 8028 PWs) bands (ev): -43.8819 -43.8819 -43.8708 -43.8708 -20.5966 -20.5966 -20.5889 -20.5889 -20.0185 -20.0185 -20.0063 -20.0063 -19.8258 -19.8258 -19.7465 -19.7465 6.0911 6.0911 6.4531 6.4531 6.7645 6.7645 6.8013 6.8013 6.9436 6.9436 7.2934 7.2934 7.6418 7.6418 7.8230 7.8230 8.2029 8.2029 8.2884 8.2884 8.9122 8.9122 8.9751 8.9751 9.3831 9.3831 9.6362 9.6362 10.4741 10.4741 11.2798 11.2798 13.2220 13.2220 13.2366 13.2366 13.6955 13.6955 13.7032 13.7032 13.8897 13.8897 14.5433 14.5433 14.7040 14.7040 k = 0.3333 0.5774 0.3221 ( 8040 PWs) bands (ev): -43.8809 -43.8809 -43.8719 -43.8719 -20.5957 -20.5957 -20.5894 -20.5894 -20.0173 -20.0173 -20.0075 -20.0075 -19.8183 -19.8183 -19.7545 -19.7545 6.1096 6.1096 6.4926 6.4926 6.7561 6.7561 6.7743 6.7743 6.9469 6.9469 7.2845 7.2845 7.6266 7.6266 7.8151 7.8151 8.2037 8.2037 8.2833 8.2833 8.9129 8.9129 9.0081 9.0081 9.3345 9.3345 9.6190 9.6190 10.5460 10.5460 11.2006 11.2006 13.2686 13.2686 13.2819 13.2819 13.6696 13.6696 13.6756 13.6756 13.9533 13.9533 14.4799 14.4799 14.6983 14.6983 k = 0.3333 0.5774 0.3361 ( 8034 PWs) bands (ev): -43.8798 -43.8798 -43.8729 -43.8729 -20.5949 -20.5949 -20.5899 -20.5899 -20.0162 -20.0162 -20.0086 -20.0086 -19.8106 -19.8106 -19.7626 -19.7626 6.1249 6.1249 6.5318 6.5318 6.7452 6.7452 6.7487 6.7487 6.9495 6.9495 7.2776 7.2776 7.6143 7.6143 7.8086 7.8086 8.2044 8.2044 8.2794 8.2794 8.9134 8.9134 9.0425 9.0425 9.2876 9.2876 9.6057 9.6057 10.6183 10.6183 11.1227 11.1227 13.3108 13.3108 13.3234 13.3234 13.6435 13.6435 13.6479 13.6479 14.0178 14.0178 14.4152 14.4152 14.6940 14.6940 k = 0.3333 0.5774 0.3501 ( 8028 PWs) bands (ev): -43.8788 -43.8788 -43.8740 -43.8740 -20.5942 -20.5942 -20.5904 -20.5904 -20.0151 -20.0151 -20.0097 -20.0097 -19.8028 -19.8028 -19.7706 -19.7706 6.1364 6.1364 6.5705 6.5705 6.7139 6.7139 6.7429 6.7429 6.9514 6.9514 7.2727 7.2727 7.6053 7.6053 7.8039 7.8039 8.2050 8.2050 8.2765 8.2765 8.9138 8.9138 9.0784 9.0784 9.2427 9.2427 9.5962 9.5962 10.6890 10.6890 11.0479 11.0479 13.3464 13.3464 13.3588 13.3588 13.6193 13.6193 13.6222 13.6222 14.0830 14.0830 14.3497 14.3497 14.6909 14.6909 k = 0.3333 0.5774 0.3641 ( 8022 PWs) bands (ev): -43.8778 -43.8778 -43.8749 -43.8749 -20.5936 -20.5936 -20.5909 -20.5909 -20.0141 -20.0141 -20.0107 -20.0107 -19.7949 -19.7949 -19.7787 -19.7787 6.1435 6.1435 6.6081 6.6081 6.6807 6.6807 6.7392 6.7392 6.9526 6.9526 7.2697 7.2697 7.5998 7.5998 7.8010 7.8010 8.2053 8.2053 8.2748 8.2748 8.9140 8.9140 9.1155 9.1155 9.2003 9.2003 9.5905 9.5905 10.7521 10.7521 10.9823 10.9823 13.3716 13.3716 13.3843 13.3843 13.6009 13.6009 13.6025 13.6025 14.1483 14.1483 14.2843 14.2843 14.6891 14.6891 k = 0.3333 0.5774 0.3781 ( 8028 PWs) bands (ev): -43.8773 -43.8773 -43.8755 -43.8755 -20.5934 -20.5934 -20.5911 -20.5911 -20.0135 -20.0135 -20.0112 -20.0112 -19.7877 -19.7877 -19.7859 -19.7859 6.1460 6.1460 6.6395 6.6395 6.6508 6.6508 6.7380 6.7380 6.9530 6.9530 7.2687 7.2687 7.5980 7.5980 7.8001 7.8001 8.2055 8.2055 8.2742 8.2742 8.9141 8.9141 9.1447 9.1447 9.1693 9.1693 9.5887 9.5887 10.7837 10.7837 10.9499 10.9499 13.3811 13.3811 13.3940 13.3940 13.5938 13.5938 13.5948 13.5948 14.2016 14.2016 14.2309 14.2309 14.6885 14.6885 Writing output data file TiAlAu.save init_run : 0.31s CPU 0.45s WALL ( 1 calls) electrons : 630.88s CPU 662.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 630.87s CPU 662.51s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.15s WALL ( 318 calls) cegterg : 448.74s CPU 453.44s WALL ( 760 calls) Called by sum_band: Called by *egterg: h_psi : 243.50s CPU 246.48s WALL ( 13526 calls) s_psi : 18.43s CPU 18.10s WALL ( 13526 calls) g_psi : 0.92s CPU 1.03s WALL ( 12448 calls) cdiaghg : 129.74s CPU 131.08s WALL ( 12766 calls) cegterg:over : 25.62s CPU 25.87s WALL ( 12448 calls) cegterg:upda : 22.96s CPU 23.62s WALL ( 12448 calls) cegterg:last : 12.94s CPU 12.90s WALL ( 2317 calls) cdiaghg:chol : 7.45s CPU 7.57s WALL ( 12766 calls) cdiaghg:inve : 5.21s CPU 5.42s WALL ( 12766 calls) cdiaghg:para : 8.93s CPU 8.92s WALL ( 25532 calls) Called by h_psi: h_psi:vloc : 198.41s CPU 200.73s WALL ( 13526 calls) h_psi:vnl : 44.22s CPU 44.84s WALL ( 13526 calls) add_vuspsi : 24.32s CPU 24.47s WALL ( 13526 calls) General routines calbec : 19.82s CPU 20.33s WALL ( 13526 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 182.84s CPU 185.02s WALL ( 1672680 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.40s WALL ( 636 calls) Parallel routines fft_scatter : 64.20s CPU 65.50s WALL ( 1672703 calls) PWSCF : 10m57.70s CPU 11m55.95s WALL This run was terminated on: 18:48:31 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=