Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:51 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: ./BaxCdPx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 84 20 5 6486 734 115 Max 85 21 6 6493 769 126 Sum 3049 733 211 233635 27129 4369 bravais-lattice index = 14 lattice parameter (alat) = 8.3186 a.u. unit-cell volume = 855.8086 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.318574 celldm(2)= 1.000000 celldm(3)= 1.716720 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 1.716720 ) 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 0.582506 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Cd 12.00 112.41100 Cd( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0138692), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0277384), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0416076), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0554768), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.0693460), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.0832152), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.0970844), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1109536), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.1248228), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.1386920), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.1525612), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.1664304), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.1802996), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.1941688), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.2080380), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.2219072), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.2357764), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.2496456), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.2635147), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.2773839), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.2912531), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.2912531), wk = 0.0033333 k( 141) = ( 0.0119048 0.0068732 0.2912531), wk = 0.0033333 k( 142) = ( 0.0238095 0.0137464 0.2912531), wk = 0.0033333 k( 143) = ( 0.0357143 0.0206197 0.2912531), wk = 0.0033333 k( 144) = ( 0.0476191 0.0274929 0.2912531), wk = 0.0033333 k( 145) = ( 0.0595238 0.0343661 0.2912531), wk = 0.0033333 k( 146) = ( 0.0714286 0.0412393 0.2912531), wk = 0.0033333 k( 147) = ( 0.0833333 0.0481125 0.2912531), wk = 0.0033333 k( 148) = ( 0.0952381 0.0549857 0.2912531), wk = 0.0033333 k( 149) = ( 0.1071429 0.0618590 0.2912531), wk = 0.0033333 k( 150) = ( 0.1190476 0.0687322 0.2912531), wk = 0.0033333 k( 151) = ( 0.1309524 0.0756054 0.2912531), wk = 0.0033333 k( 152) = ( 0.1428571 0.0824786 0.2912531), wk = 0.0033333 k( 153) = ( 0.1547619 0.0893518 0.2912531), wk = 0.0033333 k( 154) = ( 0.1666667 0.0962250 0.2912531), wk = 0.0033333 k( 155) = ( 0.1785714 0.1030983 0.2912531), wk = 0.0033333 k( 156) = ( 0.1904762 0.1099715 0.2912531), wk = 0.0033333 k( 157) = ( 0.2023810 0.1168447 0.2912531), wk = 0.0033333 k( 158) = ( 0.2142857 0.1237179 0.2912531), wk = 0.0033333 k( 159) = ( 0.2261905 0.1305911 0.2912531), wk = 0.0033333 k( 160) = ( 0.2380952 0.1374644 0.2912531), wk = 0.0033333 k( 161) = ( 0.2500000 0.1443376 0.2912531), wk = 0.0033333 k( 162) = ( 0.2619048 0.1512108 0.2912531), wk = 0.0033333 k( 163) = ( 0.2738095 0.1580840 0.2912531), wk = 0.0033333 k( 164) = ( 0.2857143 0.1649572 0.2912531), wk = 0.0033333 k( 165) = ( 0.2976190 0.1718304 0.2912531), wk = 0.0033333 k( 166) = ( 0.3095238 0.1787037 0.2912531), wk = 0.0033333 k( 167) = ( 0.3214286 0.1855769 0.2912531), wk = 0.0033333 k( 168) = ( 0.3333333 0.1924501 0.2912531), wk = 0.0033333 k( 169) = ( 0.3452381 0.1993233 0.2912531), wk = 0.0033333 k( 170) = ( 0.3571429 0.2061965 0.2912531), wk = 0.0033333 k( 171) = ( 0.3690476 0.2130697 0.2912531), wk = 0.0033333 k( 172) = ( 0.3809524 0.2199430 0.2912531), wk = 0.0033333 k( 173) = ( 0.3928571 0.2268162 0.2912531), wk = 0.0033333 k( 174) = ( 0.4047619 0.2336894 0.2912531), wk = 0.0033333 k( 175) = ( 0.4166667 0.2405626 0.2912531), wk = 0.0033333 k( 176) = ( 0.4285714 0.2474358 0.2912531), wk = 0.0033333 k( 177) = ( 0.4404762 0.2543090 0.2912531), wk = 0.0033333 k( 178) = ( 0.4523810 0.2611823 0.2912531), wk = 0.0033333 k( 179) = ( 0.4642857 0.2680555 0.2912531), wk = 0.0033333 k( 180) = ( 0.4761905 0.2749287 0.2912531), wk = 0.0033333 k( 181) = ( 0.4880952 0.2818019 0.2912531), wk = 0.0033333 k( 182) = ( 0.5000000 0.2886751 0.2912531), wk = 0.0033333 k( 183) = ( 0.5000000 0.2886751 0.2912531), wk = 0.0033333 k( 184) = ( 0.4930556 0.3007033 0.2912531), wk = 0.0033333 k( 185) = ( 0.4861111 0.3127314 0.2912531), wk = 0.0033333 k( 186) = ( 0.4791667 0.3247595 0.2912531), wk = 0.0033333 k( 187) = ( 0.4722222 0.3367877 0.2912531), wk = 0.0033333 k( 188) = ( 0.4652778 0.3488158 0.2912531), wk = 0.0033333 k( 189) = ( 0.4583333 0.3608439 0.2912531), wk = 0.0033333 k( 190) = ( 0.4513889 0.3728720 0.2912531), wk = 0.0033333 k( 191) = ( 0.4444444 0.3849002 0.2912531), wk = 0.0033333 k( 192) = ( 0.4375000 0.3969283 0.2912531), wk = 0.0033333 k( 193) = ( 0.4305556 0.4089564 0.2912531), wk = 0.0033333 k( 194) = ( 0.4236111 0.4209846 0.2912531), wk = 0.0033333 k( 195) = ( 0.4166667 0.4330127 0.2912531), wk = 0.0033333 k( 196) = ( 0.4097222 0.4450408 0.2912531), wk = 0.0033333 k( 197) = ( 0.4027778 0.4570690 0.2912531), wk = 0.0033333 k( 198) = ( 0.3958333 0.4690971 0.2912531), wk = 0.0033333 k( 199) = ( 0.3888889 0.4811252 0.2912531), wk = 0.0033333 k( 200) = ( 0.3819444 0.4931534 0.2912531), wk = 0.0033333 k( 201) = ( 0.3750000 0.5051815 0.2912531), wk = 0.0033333 k( 202) = ( 0.3680556 0.5172096 0.2912531), wk = 0.0033333 k( 203) = ( 0.3611111 0.5292377 0.2912531), wk = 0.0033333 k( 204) = ( 0.3541667 0.5412659 0.2912531), wk = 0.0033333 k( 205) = ( 0.3472222 0.5532940 0.2912531), wk = 0.0033333 k( 206) = ( 0.3402778 0.5653221 0.2912531), wk = 0.0033333 k( 207) = ( 0.3333333 0.5773503 0.2912531), wk = 0.0033333 k( 208) = ( 0.3333333 0.5773503 0.2912531), wk = 0.0033333 k( 209) = ( 0.3263889 0.5653221 0.2912531), wk = 0.0033333 k( 210) = ( 0.3194444 0.5532940 0.2912531), wk = 0.0033333 k( 211) = ( 0.3125000 0.5412659 0.2912531), wk = 0.0033333 k( 212) = ( 0.3055556 0.5292378 0.2912531), wk = 0.0033333 k( 213) = ( 0.2986111 0.5172096 0.2912531), wk = 0.0033333 k( 214) = ( 0.2916667 0.5051815 0.2912531), wk = 0.0033333 k( 215) = ( 0.2847222 0.4931534 0.2912531), wk = 0.0033333 k( 216) = ( 0.2777778 0.4811252 0.2912531), wk = 0.0033333 k( 217) = ( 0.2708333 0.4690971 0.2912531), wk = 0.0033333 k( 218) = ( 0.2638889 0.4570690 0.2912531), wk = 0.0033333 k( 219) = ( 0.2569444 0.4450408 0.2912531), wk = 0.0033333 k( 220) = ( 0.2500000 0.4330127 0.2912531), wk = 0.0033333 k( 221) = ( 0.2430556 0.4209846 0.2912531), wk = 0.0033333 k( 222) = ( 0.2361111 0.4089564 0.2912531), wk = 0.0033333 k( 223) = ( 0.2291667 0.3969283 0.2912531), wk = 0.0033333 k( 224) = ( 0.2222222 0.3849002 0.2912531), wk = 0.0033333 k( 225) = ( 0.2152778 0.3728721 0.2912531), wk = 0.0033333 k( 226) = ( 0.2083333 0.3608439 0.2912531), wk = 0.0033333 k( 227) = ( 0.2013889 0.3488158 0.2912531), wk = 0.0033333 k( 228) = ( 0.1944444 0.3367876 0.2912531), wk = 0.0033333 k( 229) = ( 0.1875000 0.3247595 0.2912531), wk = 0.0033333 k( 230) = ( 0.1805556 0.3127314 0.2912531), wk = 0.0033333 k( 231) = ( 0.1736111 0.3007033 0.2912531), wk = 0.0033333 k( 232) = ( 0.1666667 0.2886751 0.2912531), wk = 0.0033333 k( 233) = ( 0.1597222 0.2766470 0.2912531), wk = 0.0033333 k( 234) = ( 0.1527778 0.2646189 0.2912531), wk = 0.0033333 k( 235) = ( 0.1458333 0.2525907 0.2912531), wk = 0.0033333 k( 236) = ( 0.1388889 0.2405626 0.2912531), wk = 0.0033333 k( 237) = ( 0.1319444 0.2285345 0.2912531), wk = 0.0033333 k( 238) = ( 0.1250000 0.2165064 0.2912531), wk = 0.0033333 k( 239) = ( 0.1180556 0.2044782 0.2912531), wk = 0.0033333 k( 240) = ( 0.1111111 0.1924501 0.2912531), wk = 0.0033333 k( 241) = ( 0.1041667 0.1804220 0.2912531), wk = 0.0033333 k( 242) = ( 0.0972222 0.1683938 0.2912531), wk = 0.0033333 k( 243) = ( 0.0902778 0.1563657 0.2912531), wk = 0.0033333 k( 244) = ( 0.0833333 0.1443376 0.2912531), wk = 0.0033333 k( 245) = ( 0.0763889 0.1323094 0.2912531), wk = 0.0033333 k( 246) = ( 0.0694444 0.1202813 0.2912531), wk = 0.0033333 k( 247) = ( 0.0625000 0.1082532 0.2912531), wk = 0.0033333 k( 248) = ( 0.0555556 0.0962251 0.2912531), wk = 0.0033333 k( 249) = ( 0.0486111 0.0841969 0.2912531), wk = 0.0033333 k( 250) = ( 0.0416667 0.0721688 0.2912531), wk = 0.0033333 k( 251) = ( 0.0347222 0.0601406 0.2912531), wk = 0.0033333 k( 252) = ( 0.0277778 0.0481125 0.2912531), wk = 0.0033333 k( 253) = ( 0.0208333 0.0360844 0.2912531), wk = 0.0033333 k( 254) = ( 0.0138889 0.0240563 0.2912531), wk = 0.0033333 k( 255) = ( 0.0069444 0.0120281 0.2912531), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.2912531), wk = 0.0033333 k( 257) = ( 0.5000000 0.2886751 0.2912531), wk = 0.0033333 k( 258) = ( 0.5000000 0.2886751 0.2773839), wk = 0.0033333 k( 259) = ( 0.5000000 0.2886751 0.2635147), wk = 0.0033333 k( 260) = ( 0.5000000 0.2886751 0.2496456), wk = 0.0033333 k( 261) = ( 0.5000000 0.2886751 0.2357764), wk = 0.0033333 k( 262) = ( 0.5000000 0.2886751 0.2219072), wk = 0.0033333 k( 263) = ( 0.5000000 0.2886751 0.2080380), wk = 0.0033333 k( 264) = ( 0.5000000 0.2886751 0.1941688), wk = 0.0033333 k( 265) = ( 0.5000000 0.2886751 0.1802996), wk = 0.0033333 k( 266) = ( 0.5000000 0.2886751 0.1664304), wk = 0.0033333 k( 267) = ( 0.5000000 0.2886751 0.1525612), wk = 0.0033333 k( 268) = ( 0.5000000 0.2886751 0.1386920), wk = 0.0033333 k( 269) = ( 0.5000000 0.2886751 0.1248228), wk = 0.0033333 k( 270) = ( 0.5000000 0.2886751 0.1109536), wk = 0.0033333 k( 271) = ( 0.5000000 0.2886751 0.0970844), wk = 0.0033333 k( 272) = ( 0.5000000 0.2886751 0.0832152), wk = 0.0033333 k( 273) = ( 0.5000000 0.2886751 0.0693460), wk = 0.0033333 k( 274) = ( 0.5000000 0.2886751 0.0554768), wk = 0.0033333 k( 275) = ( 0.5000000 0.2886751 0.0416076), wk = 0.0033333 k( 276) = ( 0.5000000 0.2886751 0.0277384), wk = 0.0033333 k( 277) = ( 0.5000000 0.2886751 0.0138692), wk = 0.0033333 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.5773503 0.0138692), wk = 0.0033333 k( 281) = ( 0.3333333 0.5773503 0.0277384), wk = 0.0033333 k( 282) = ( 0.3333333 0.5773503 0.0416076), wk = 0.0033333 k( 283) = ( 0.3333333 0.5773503 0.0554768), wk = 0.0033333 k( 284) = ( 0.3333333 0.5773503 0.0693460), wk = 0.0033333 k( 285) = ( 0.3333333 0.5773503 0.0832152), wk = 0.0033333 k( 286) = ( 0.3333333 0.5773503 0.0970844), wk = 0.0033333 k( 287) = ( 0.3333333 0.5773503 0.1109536), wk = 0.0033333 k( 288) = ( 0.3333333 0.5773503 0.1248228), wk = 0.0033333 k( 289) = ( 0.3333333 0.5773503 0.1386920), wk = 0.0033333 k( 290) = ( 0.3333333 0.5773503 0.1525612), wk = 0.0033333 k( 291) = ( 0.3333333 0.5773503 0.1664304), wk = 0.0033333 k( 292) = ( 0.3333333 0.5773503 0.1802996), wk = 0.0033333 k( 293) = ( 0.3333333 0.5773503 0.1941688), wk = 0.0033333 k( 294) = ( 0.3333333 0.5773503 0.2080380), wk = 0.0033333 k( 295) = ( 0.3333333 0.5773503 0.2219072), wk = 0.0033333 k( 296) = ( 0.3333333 0.5773503 0.2357764), wk = 0.0033333 k( 297) = ( 0.3333333 0.5773503 0.2496456), wk = 0.0033333 k( 298) = ( 0.3333333 0.5773503 0.2635147), wk = 0.0033333 k( 299) = ( 0.3333333 0.5773503 0.2773839), wk = 0.0033333 k( 300) = ( 0.3333333 0.5773503 0.2912531), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0033333 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033333 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0033333 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033333 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.2261905 0.0000000 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033333 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0033333 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0033333 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0033333 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0033333 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033333 k( 36) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0033333 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033333 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0033333 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033333 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033333 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033333 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033333 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033333 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033333 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033333 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033333 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033333 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033333 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033333 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033333 k( 64) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033333 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033333 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033333 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033333 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033333 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033333 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033333 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033333 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033333 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033333 k( 79) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0033333 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033333 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033333 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033333 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033333 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033333 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0033333 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033333 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033333 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033333 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033333 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033333 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033333 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033333 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033333 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033333 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0033333 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033333 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033333 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033333 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033333 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033333 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033333 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033333 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033333 k( 107) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0033333 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033333 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033333 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033333 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033333 k( 112) = ( 0.0347222 0.0347222 -0.0000000), wk = 0.0033333 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033333 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033333 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033333 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 119) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033333 k( 120) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0033333 k( 121) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033333 k( 122) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033333 k( 123) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033333 k( 126) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033333 k( 127) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033333 k( 128) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 141) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033333 k( 142) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033333 k( 143) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033333 k( 144) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033333 k( 145) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033333 k( 146) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033333 k( 147) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033333 k( 148) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033333 k( 149) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033333 k( 150) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033333 k( 151) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033333 k( 152) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033333 k( 153) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033333 k( 154) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033333 k( 155) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033333 k( 156) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033333 k( 157) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033333 k( 158) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033333 k( 159) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033333 k( 160) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033333 k( 161) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033333 k( 162) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033333 k( 163) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033333 k( 164) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033333 k( 165) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033333 k( 166) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033333 k( 167) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033333 k( 168) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033333 k( 169) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033333 k( 170) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033333 k( 171) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033333 k( 172) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033333 k( 173) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033333 k( 174) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033333 k( 175) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033333 k( 176) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033333 k( 177) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033333 k( 178) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033333 k( 179) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033333 k( 180) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033333 k( 181) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033333 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 184) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033333 k( 185) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033333 k( 186) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033333 k( 187) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033333 k( 188) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033333 k( 189) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033333 k( 190) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033333 k( 191) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033333 k( 192) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033333 k( 193) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033333 k( 194) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033333 k( 195) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033333 k( 196) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033333 k( 197) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033333 k( 198) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033333 k( 199) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033333 k( 200) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033333 k( 201) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033333 k( 202) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033333 k( 203) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033333 k( 204) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033333 k( 205) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033333 k( 206) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033333 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 209) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033333 k( 210) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033333 k( 211) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033333 k( 212) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033333 k( 213) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033333 k( 214) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033333 k( 215) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033333 k( 216) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033333 k( 217) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033333 k( 218) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033333 k( 219) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033333 k( 220) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033333 k( 221) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033333 k( 222) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033333 k( 223) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033333 k( 224) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033333 k( 225) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033333 k( 226) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033333 k( 227) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033333 k( 228) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033333 k( 229) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033333 k( 230) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033333 k( 231) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033333 k( 232) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033333 k( 233) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033333 k( 234) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033333 k( 235) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033333 k( 236) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033333 k( 237) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033333 k( 238) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033333 k( 239) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033333 k( 240) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033333 k( 241) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033333 k( 242) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033333 k( 243) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033333 k( 244) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033333 k( 245) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033333 k( 246) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033333 k( 247) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033333 k( 248) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033333 k( 249) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033333 k( 250) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033333 k( 251) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033333 k( 252) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033333 k( 253) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033333 k( 254) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033333 k( 255) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033333 k( 256) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 257) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 258) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0033333 k( 259) = ( 0.5000000 0.0000000 0.4523809), wk = 0.0033333 k( 260) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0033333 k( 261) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0033333 k( 262) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0033333 k( 263) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0033333 k( 264) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033333 k( 265) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0033333 k( 266) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0033333 k( 267) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0033333 k( 268) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0033333 k( 269) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0033333 k( 270) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0033333 k( 271) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033333 k( 272) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0033333 k( 273) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0033333 k( 274) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0033333 k( 275) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0033333 k( 276) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0033333 k( 277) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0033333 k( 278) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033333 k( 279) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033333 k( 280) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0033333 k( 281) = ( 0.3333333 0.3333333 0.0476190), wk = 0.0033333 k( 282) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033333 k( 283) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0033333 k( 284) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0033333 k( 285) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033333 k( 286) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033333 k( 287) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0033333 k( 288) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033333 k( 289) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0033333 k( 290) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0033333 k( 291) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033333 k( 292) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0033333 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033333 k( 294) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033333 k( 295) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0033333 k( 296) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0033333 k( 297) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033333 k( 298) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0033333 k( 299) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0033333 k( 300) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 Dense grid: 233635 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 27129 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 200, 52) NL pseudopotentials 0.26 Mb ( 100, 171) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6493) G-vector shells 0.02 Mb ( 3069) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 200, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 171, 2, 52) The potential is recalculated from file : ./BaxCdPx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.4 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 11.3 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.8 secs Computing kpt #: 12 total cpu time spent up to now is 14.8 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.3 secs Computing kpt #: 15 total cpu time spent up to now is 17.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 18.7 secs Computing kpt #: 18 total cpu time spent up to now is 19.4 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 21.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.9 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 total cpu time spent up to now is 23.5 secs Computing kpt #: 24 total cpu time spent up to now is 24.3 secs Computing kpt #: 25 total cpu time spent up to now is 25.1 secs Computing kpt #: 26 total cpu time spent up to now is 25.9 secs Computing kpt #: 27 total cpu time spent up to now is 26.6 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.8 secs Computing kpt #: 31 total cpu time spent up to now is 29.5 secs Computing kpt #: 32 total cpu time spent up to now is 30.1 secs Computing kpt #: 33 total cpu time spent up to now is 30.7 secs Computing kpt #: 34 total cpu time spent up to now is 31.3 secs Computing kpt #: 35 total cpu time spent up to now is 31.9 secs Computing kpt #: 36 total cpu time spent up to now is 32.5 secs Computing kpt #: 37 total cpu time spent up to now is 33.1 secs Computing kpt #: 38 total cpu time spent up to now is 33.7 secs Computing kpt #: 39 total cpu time spent up to now is 34.4 secs Computing kpt #: 40 total cpu time spent up to now is 35.1 secs Computing kpt #: 41 total cpu time spent up to now is 35.8 secs Computing kpt #: 42 total cpu time spent up to now is 36.5 secs Computing kpt #: 43 total cpu time spent up to now is 37.2 secs Computing kpt #: 44 total cpu time spent up to now is 37.8 secs Computing kpt #: 45 total cpu time spent up to now is 38.5 secs Computing kpt #: 46 total cpu time spent up to now is 39.1 secs Computing kpt #: 47 total cpu time spent up to now is 39.9 secs Computing kpt #: 48 total cpu time spent up to now is 40.6 secs Computing kpt #: 49 total cpu time spent up to now is 41.3 secs Computing kpt #: 50 total cpu time spent up to now is 42.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 43.8 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.3 secs Computing kpt #: 53 total cpu time spent up to now is 46.4 secs Computing kpt #: 54 total cpu time spent up to now is 47.6 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.1 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.5 secs Computing kpt #: 57 total cpu time spent up to now is 51.8 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.3 secs Computing kpt #: 59 total cpu time spent up to now is 54.6 secs Computing kpt #: 60 total cpu time spent up to now is 55.5 secs Computing kpt #: 61 total cpu time spent up to now is 56.4 secs Computing kpt #: 62 total cpu time spent up to now is 57.3 secs Computing kpt #: 63 total cpu time spent up to now is 58.1 secs Computing kpt #: 64 total cpu time spent up to now is 59.0 secs Computing kpt #: 65 total cpu time spent up to now is 59.9 secs Computing kpt #: 66 total cpu time spent up to now is 60.7 secs Computing kpt #: 67 total cpu time spent up to now is 61.5 secs Computing kpt #: 68 total cpu time spent up to now is 62.2 secs Computing kpt #: 69 total cpu time spent up to now is 62.9 secs Computing kpt #: 70 total cpu time spent up to now is 63.6 secs Computing kpt #: 71 total cpu time spent up to now is 64.3 secs Computing kpt #: 72 total cpu time spent up to now is 64.9 secs Computing kpt #: 73 total cpu time spent up to now is 65.5 secs Computing kpt #: 74 total cpu time spent up to now is 66.1 secs Computing kpt #: 75 total cpu time spent up to now is 66.7 secs Computing kpt #: 76 total cpu time spent up to now is 67.2 secs Computing kpt #: 77 total cpu time spent up to now is 67.7 secs Computing kpt #: 78 total cpu time spent up to now is 68.2 secs Computing kpt #: 79 total cpu time spent up to now is 68.8 secs Computing kpt #: 80 total cpu time spent up to now is 69.3 secs Computing kpt #: 81 total cpu time spent up to now is 69.9 secs Computing kpt #: 82 total cpu time spent up to now is 70.5 secs Computing kpt #: 83 total cpu time spent up to now is 71.0 secs Computing kpt #: 84 total cpu time spent up to now is 71.5 secs Computing kpt #: 85 total cpu time spent up to now is 72.1 secs Computing kpt #: 86 total cpu time spent up to now is 72.7 secs Computing kpt #: 87 total cpu time spent up to now is 73.2 secs Computing kpt #: 88 total cpu time spent up to now is 73.9 secs Computing kpt #: 89 total cpu time spent up to now is 74.6 secs Computing kpt #: 90 total cpu time spent up to now is 75.3 secs Computing kpt #: 91 total cpu time spent up to now is 76.1 secs Computing kpt #: 92 total cpu time spent up to now is 76.9 secs Computing kpt #: 93 total cpu time spent up to now is 77.6 secs Computing kpt #: 94 total cpu time spent up to now is 78.4 secs Computing kpt #: 95 total cpu time spent up to now is 79.2 secs Computing kpt #: 96 total cpu time spent up to now is 80.0 secs Computing kpt #: 97 total cpu time spent up to now is 80.8 secs Computing kpt #: 98 total cpu time spent up to now is 81.6 secs Computing kpt #: 99 total cpu time spent up to now is 82.4 secs Computing kpt #: 100 total cpu time spent up to now is 83.2 secs Computing kpt #: 101 total cpu time spent up to now is 84.0 secs Computing kpt #: 102 total cpu time spent up to now is 84.7 secs Computing kpt #: 103 total cpu time spent up to now is 85.5 secs Computing kpt #: 104 total cpu time spent up to now is 86.3 secs Computing kpt #: 105 total cpu time spent up to now is 87.1 secs Computing kpt #: 106 total cpu time spent up to now is 87.9 secs Computing kpt #: 107 total cpu time spent up to now is 88.9 secs Computing kpt #: 108 total cpu time spent up to now is 90.0 secs Computing kpt #: 109 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.5 secs Computing kpt #: 110 total cpu time spent up to now is 92.7 secs Computing kpt #: 111 total cpu time spent up to now is 93.6 secs Computing kpt #: 112 total cpu time spent up to now is 94.5 secs Computing kpt #: 113 total cpu time spent up to now is 95.3 secs Computing kpt #: 114 total cpu time spent up to now is 96.2 secs Computing kpt #: 115 total cpu time spent up to now is 97.0 secs Computing kpt #: 116 total cpu time spent up to now is 97.9 secs Computing kpt #: 117 total cpu time spent up to now is 98.7 secs Computing kpt #: 118 total cpu time spent up to now is 99.4 secs Computing kpt #: 119 total cpu time spent up to now is 100.2 secs Computing kpt #: 120 total cpu time spent up to now is 101.1 secs Computing kpt #: 121 total cpu time spent up to now is 101.9 secs Computing kpt #: 122 total cpu time spent up to now is 102.8 secs Computing kpt #: 123 total cpu time spent up to now is 103.6 secs Computing kpt #: 124 total cpu time spent up to now is 104.5 secs Computing kpt #: 125 total cpu time spent up to now is 105.7 secs Computing kpt #: 126 total cpu time spent up to now is 106.6 secs Computing kpt #: 127 total cpu time spent up to now is 107.5 secs Computing kpt #: 128 total cpu time spent up to now is 108.3 secs Computing kpt #: 129 total cpu time spent up to now is 109.1 secs Computing kpt #: 130 total cpu time spent up to now is 109.9 secs Computing kpt #: 131 total cpu time spent up to now is 110.6 secs Computing kpt #: 132 total cpu time spent up to now is 111.5 secs Computing kpt #: 133 total cpu time spent up to now is 112.2 secs Computing kpt #: 134 total cpu time spent up to now is 113.1 secs Computing kpt #: 135 total cpu time spent up to now is 114.0 secs Computing kpt #: 136 total cpu time spent up to now is 114.8 secs Computing kpt #: 137 total cpu time spent up to now is 115.7 secs Computing kpt #: 138 total cpu time spent up to now is 116.4 secs Computing kpt #: 139 total cpu time spent up to now is 117.2 secs Computing kpt #: 140 total cpu time spent up to now is 118.0 secs Computing kpt #: 141 total cpu time spent up to now is 118.7 secs Computing kpt #: 142 total cpu time spent up to now is 119.5 secs Computing kpt #: 143 total cpu time spent up to now is 120.2 secs Computing kpt #: 144 total cpu time spent up to now is 121.0 secs Computing kpt #: 145 total cpu time spent up to now is 121.8 secs Computing kpt #: 146 total cpu time spent up to now is 122.7 secs Computing kpt #: 147 total cpu time spent up to now is 123.8 secs Computing kpt #: 148 total cpu time spent up to now is 124.7 secs Computing kpt #: 149 total cpu time spent up to now is 125.7 secs Computing kpt #: 150 total cpu time spent up to now is 126.7 secs Computing kpt #: 151 total cpu time spent up to now is 127.5 secs Computing kpt #: 152 total cpu time spent up to now is 128.5 secs Computing kpt #: 153 total cpu time spent up to now is 129.3 secs Computing kpt #: 154 total cpu time spent up to now is 130.0 secs Computing kpt #: 155 total cpu time spent up to now is 130.8 secs Computing kpt #: 156 total cpu time spent up to now is 131.4 secs Computing kpt #: 157 total cpu time spent up to now is 132.0 secs Computing kpt #: 158 total cpu time spent up to now is 132.7 secs Computing kpt #: 159 total cpu time spent up to now is 133.3 secs Computing kpt #: 160 total cpu time spent up to now is 133.8 secs Computing kpt #: 161 total cpu time spent up to now is 134.4 secs Computing kpt #: 162 total cpu time spent up to now is 135.0 secs Computing kpt #: 163 total cpu time spent up to now is 135.5 secs Computing kpt #: 164 total cpu time spent up to now is 136.0 secs Computing kpt #: 165 total cpu time spent up to now is 136.5 secs Computing kpt #: 166 total cpu time spent up to now is 137.0 secs Computing kpt #: 167 total cpu time spent up to now is 137.5 secs Computing kpt #: 168 total cpu time spent up to now is 137.9 secs Computing kpt #: 169 total cpu time spent up to now is 138.4 secs Computing kpt #: 170 total cpu time spent up to now is 138.9 secs Computing kpt #: 171 total cpu time spent up to now is 139.3 secs Computing kpt #: 172 total cpu time spent up to now is 139.7 secs Computing kpt #: 173 total cpu time spent up to now is 140.2 secs Computing kpt #: 174 total cpu time spent up to now is 140.7 secs Computing kpt #: 175 total cpu time spent up to now is 141.1 secs Computing kpt #: 176 total cpu time spent up to now is 141.6 secs Computing kpt #: 177 total cpu time spent up to now is 142.1 secs Computing kpt #: 178 total cpu time spent up to now is 142.5 secs Computing kpt #: 179 total cpu time spent up to now is 142.9 secs Computing kpt #: 180 total cpu time spent up to now is 143.3 secs Computing kpt #: 181 total cpu time spent up to now is 143.7 secs Computing kpt #: 182 total cpu time spent up to now is 144.2 secs Computing kpt #: 183 total cpu time spent up to now is 144.6 secs Computing kpt #: 184 total cpu time spent up to now is 145.1 secs Computing kpt #: 185 total cpu time spent up to now is 145.5 secs Computing kpt #: 186 total cpu time spent up to now is 145.9 secs Computing kpt #: 187 total cpu time spent up to now is 146.4 secs Computing kpt #: 188 total cpu time spent up to now is 146.9 secs Computing kpt #: 189 total cpu time spent up to now is 147.4 secs Computing kpt #: 190 total cpu time spent up to now is 147.9 secs Computing kpt #: 191 total cpu time spent up to now is 148.3 secs Computing kpt #: 192 total cpu time spent up to now is 148.9 secs Computing kpt #: 193 total cpu time spent up to now is 149.4 secs Computing kpt #: 194 total cpu time spent up to now is 149.9 secs Computing kpt #: 195 total cpu time spent up to now is 150.4 secs Computing kpt #: 196 total cpu time spent up to now is 150.8 secs Computing kpt #: 197 total cpu time spent up to now is 151.3 secs Computing kpt #: 198 total cpu time spent up to now is 151.8 secs Computing kpt #: 199 total cpu time spent up to now is 152.4 secs Computing kpt #: 200 total cpu time spent up to now is 153.0 secs Computing kpt #: 201 total cpu time spent up to now is 153.6 secs Computing kpt #: 202 total cpu time spent up to now is 154.2 secs Computing kpt #: 203 total cpu time spent up to now is 154.8 secs Computing kpt #: 204 total cpu time spent up to now is 155.5 secs Computing kpt #: 205 total cpu time spent up to now is 156.2 secs Computing kpt #: 206 total cpu time spent up to now is 157.0 secs Computing kpt #: 207 total cpu time spent up to now is 157.8 secs Computing kpt #: 208 total cpu time spent up to now is 159.2 secs Computing kpt #: 209 total cpu time spent up to now is 159.9 secs Computing kpt #: 210 total cpu time spent up to now is 160.6 secs Computing kpt #: 211 total cpu time spent up to now is 161.3 secs Computing kpt #: 212 total cpu time spent up to now is 162.0 secs Computing kpt #: 213 total cpu time spent up to now is 162.6 secs Computing kpt #: 214 total cpu time spent up to now is 163.4 secs Computing kpt #: 215 total cpu time spent up to now is 164.2 secs Computing kpt #: 216 total cpu time spent up to now is 164.9 secs Computing kpt #: 217 total cpu time spent up to now is 165.6 secs Computing kpt #: 218 total cpu time spent up to now is 166.4 secs Computing kpt #: 219 total cpu time spent up to now is 167.2 secs Computing kpt #: 220 total cpu time spent up to now is 167.9 secs Computing kpt #: 221 total cpu time spent up to now is 168.6 secs Computing kpt #: 222 total cpu time spent up to now is 169.3 secs Computing kpt #: 223 total cpu time spent up to now is 170.0 secs Computing kpt #: 224 total cpu time spent up to now is 170.6 secs Computing kpt #: 225 total cpu time spent up to now is 171.2 secs Computing kpt #: 226 total cpu time spent up to now is 171.8 secs Computing kpt #: 227 total cpu time spent up to now is 172.4 secs Computing kpt #: 228 total cpu time spent up to now is 173.1 secs Computing kpt #: 229 total cpu time spent up to now is 173.6 secs Computing kpt #: 230 total cpu time spent up to now is 174.3 secs Computing kpt #: 231 total cpu time spent up to now is 174.9 secs Computing kpt #: 232 total cpu time spent up to now is 175.6 secs Computing kpt #: 233 total cpu time spent up to now is 176.3 secs Computing kpt #: 234 total cpu time spent up to now is 177.0 secs Computing kpt #: 235 total cpu time spent up to now is 177.8 secs Computing kpt #: 236 total cpu time spent up to now is 178.5 secs Computing kpt #: 237 total cpu time spent up to now is 179.3 secs Computing kpt #: 238 total cpu time spent up to now is 180.0 secs Computing kpt #: 239 total cpu time spent up to now is 180.8 secs Computing kpt #: 240 total cpu time spent up to now is 181.5 secs Computing kpt #: 241 total cpu time spent up to now is 182.4 secs Computing kpt #: 242 total cpu time spent up to now is 183.2 secs Computing kpt #: 243 total cpu time spent up to now is 184.1 secs Computing kpt #: 244 total cpu time spent up to now is 185.0 secs Computing kpt #: 245 total cpu time spent up to now is 185.9 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.4 secs Computing kpt #: 247 total cpu time spent up to now is 188.3 secs Computing kpt #: 248 total cpu time spent up to now is 189.2 secs Computing kpt #: 249 total cpu time spent up to now is 190.0 secs Computing kpt #: 250 total cpu time spent up to now is 190.8 secs Computing kpt #: 251 total cpu time spent up to now is 191.6 secs Computing kpt #: 252 total cpu time spent up to now is 192.3 secs Computing kpt #: 253 total cpu time spent up to now is 193.1 secs Computing kpt #: 254 total cpu time spent up to now is 193.9 secs Computing kpt #: 255 total cpu time spent up to now is 194.6 secs Computing kpt #: 256 total cpu time spent up to now is 195.4 secs Computing kpt #: 257 total cpu time spent up to now is 195.8 secs Computing kpt #: 258 total cpu time spent up to now is 196.2 secs Computing kpt #: 259 total cpu time spent up to now is 196.6 secs Computing kpt #: 260 total cpu time spent up to now is 197.1 secs Computing kpt #: 261 total cpu time spent up to now is 197.5 secs Computing kpt #: 262 total cpu time spent up to now is 197.9 secs Computing kpt #: 263 total cpu time spent up to now is 198.3 secs Computing kpt #: 264 total cpu time spent up to now is 198.8 secs Computing kpt #: 265 total cpu time spent up to now is 199.2 secs Computing kpt #: 266 total cpu time spent up to now is 199.6 secs Computing kpt #: 267 total cpu time spent up to now is 200.0 secs Computing kpt #: 268 total cpu time spent up to now is 200.5 secs Computing kpt #: 269 total cpu time spent up to now is 200.9 secs Computing kpt #: 270 total cpu time spent up to now is 201.3 secs Computing kpt #: 271 total cpu time spent up to now is 201.8 secs Computing kpt #: 272 total cpu time spent up to now is 202.2 secs Computing kpt #: 273 total cpu time spent up to now is 202.7 secs Computing kpt #: 274 total cpu time spent up to now is 203.2 secs Computing kpt #: 275 total cpu time spent up to now is 203.8 secs Computing kpt #: 276 total cpu time spent up to now is 204.4 secs Computing kpt #: 277 total cpu time spent up to now is 205.0 secs Computing kpt #: 278 total cpu time spent up to now is 205.7 secs Computing kpt #: 279 total cpu time spent up to now is 206.4 secs Computing kpt #: 280 total cpu time spent up to now is 207.2 secs Computing kpt #: 281 total cpu time spent up to now is 208.0 secs Computing kpt #: 282 total cpu time spent up to now is 208.7 secs Computing kpt #: 283 total cpu time spent up to now is 209.5 secs Computing kpt #: 284 total cpu time spent up to now is 210.2 secs Computing kpt #: 285 total cpu time spent up to now is 211.0 secs Computing kpt #: 286 total cpu time spent up to now is 211.8 secs Computing kpt #: 287 total cpu time spent up to now is 212.5 secs Computing kpt #: 288 total cpu time spent up to now is 213.3 secs Computing kpt #: 289 total cpu time spent up to now is 214.1 secs Computing kpt #: 290 total cpu time spent up to now is 214.9 secs Computing kpt #: 291 total cpu time spent up to now is 215.7 secs Computing kpt #: 292 total cpu time spent up to now is 216.5 secs Computing kpt #: 293 total cpu time spent up to now is 217.3 secs Computing kpt #: 294 total cpu time spent up to now is 218.1 secs Computing kpt #: 295 total cpu time spent up to now is 219.0 secs Computing kpt #: 296 total cpu time spent up to now is 219.8 secs Computing kpt #: 297 total cpu time spent up to now is 220.5 secs Computing kpt #: 298 total cpu time spent up to now is 221.4 secs Computing kpt #: 299 total cpu time spent up to now is 222.2 secs Computing kpt #: 300 total cpu time spent up to now is 223.0 secs ethr = 2.27E-08, avg # of iterations = 43.0 total cpu time spent up to now is 223.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.8497 -18.8497 -5.5298 -5.5298 -3.7814 -3.7814 -3.3326 -3.3326 -2.0554 -2.0554 -1.3843 -1.3843 -0.3780 -0.3780 -0.3778 -0.3778 -0.2884 -0.2884 -0.0688 -0.0688 0.3146 0.3146 0.3746 0.3746 0.4894 0.4894 0.5649 0.5649 0.6544 0.6544 0.9712 0.9712 4.2636 4.2636 7.3876 7.3876 7.4112 7.4112 8.3991 8.3991 8.5146 8.5146 8.5541 8.5541 9.3274 9.3274 9.4915 9.4915 10.5604 10.5604 11.3337 11.3337 k = 0.0119 0.0069-0.0000 ( 3401 PWs) bands (ev): -18.8497 -18.8497 -5.5300 -5.5300 -3.7815 -3.7815 -3.3335 -3.3335 -2.0541 -2.0541 -1.3845 -1.3845 -0.3779 -0.3779 -0.3775 -0.3775 -0.2884 -0.2884 -0.0687 -0.0687 0.3147 0.3147 0.3745 0.3745 0.4891 0.4891 0.5654 0.5654 0.6541 0.6541 0.9715 0.9715 4.2653 4.2653 7.3817 7.3817 7.4067 7.4067 8.3983 8.3983 8.5026 8.5026 8.5438 8.5438 9.3433 9.3433 9.4967 9.4967 10.5645 10.5645 11.3399 11.3399 k = 0.0238 0.0137-0.0000 ( 3397 PWs) bands (ev): -18.8495 -18.8495 -5.5303 -5.5303 -3.7816 -3.7816 -3.3362 -3.3362 -2.0502 -2.0502 -1.3851 -1.3851 -0.3773 -0.3773 -0.3768 -0.3768 -0.2883 -0.2883 -0.0685 -0.0685 0.3151 0.3151 0.3740 0.3740 0.4881 0.4881 0.5667 0.5667 0.6535 0.6535 0.9724 0.9724 4.2706 4.2706 7.3582 7.3582 7.3994 7.3994 8.3930 8.3930 8.4595 8.4595 8.5270 8.5270 9.3865 9.3865 9.5127 9.5127 10.5767 10.5767 11.3580 11.3580 k = 0.0357 0.0206-0.0000 ( 3405 PWs) bands (ev): -18.8492 -18.8492 -5.5308 -5.5308 -3.7817 -3.7817 -3.3406 -3.3406 -2.0438 -2.0438 -1.3861 -1.3861 -0.3764 -0.3764 -0.3755 -0.3755 -0.2881 -0.2881 -0.0681 -0.0681 0.3157 0.3157 0.3733 0.3733 0.4867 0.4867 0.5688 0.5688 0.6523 0.6523 0.9739 0.9739 4.2793 4.2793 7.3153 7.3153 7.3933 7.3933 8.3552 8.3552 8.4148 8.4148 8.5101 8.5101 9.4464 9.4464 9.5408 9.5408 10.5965 10.5965 11.3869 11.3869 k = 0.0476 0.0275-0.0000 ( 3393 PWs) bands (ev): -18.8489 -18.8489 -5.5316 -5.5316 -3.7819 -3.7819 -3.3467 -3.3467 -2.0349 -2.0349 -1.3875 -1.3875 -0.3752 -0.3752 -0.3738 -0.3738 -0.2878 -0.2878 -0.0675 -0.0675 0.3166 0.3166 0.3723 0.3723 0.4848 0.4848 0.5714 0.5714 0.6508 0.6508 0.9760 0.9760 4.2915 4.2915 7.2571 7.2571 7.3867 7.3867 8.2643 8.2643 8.3996 8.3996 8.4899 8.4899 9.5108 9.5108 9.5847 9.5847 10.6236 10.6236 11.4250 11.4250 k = 0.0595 0.0344-0.0000 ( 3389 PWs) bands (ev): -18.8484 -18.8484 -5.5326 -5.5326 -3.7822 -3.7822 -3.3543 -3.3543 -2.0237 -2.0237 -1.3893 -1.3893 -0.3736 -0.3736 -0.3715 -0.3715 -0.2875 -0.2875 -0.0667 -0.0667 0.3177 0.3177 0.3711 0.3711 0.4826 0.4826 0.5745 0.5745 0.6489 0.6489 0.9786 0.9786 4.3070 4.3070 7.1871 7.1871 7.3788 7.3788 8.1548 8.1548 8.3852 8.3852 8.4654 8.4654 9.5701 9.5701 9.6478 9.6478 10.6574 10.6574 11.4707 11.4707 k = 0.0714 0.0412-0.0000 ( 3380 PWs) bands (ev): -18.8478 -18.8478 -5.5339 -5.5339 -3.7825 -3.7825 -3.3633 -3.3633 -2.0104 -2.0104 -1.3915 -1.3915 -0.3716 -0.3716 -0.3687 -0.3687 -0.2871 -0.2871 -0.0657 -0.0657 0.3191 0.3191 0.3697 0.3697 0.4803 0.4803 0.5779 0.5779 0.6466 0.6466 0.9819 0.9819 4.3257 4.3257 7.1078 7.1078 7.3694 7.3694 8.0367 8.0367 8.3654 8.3654 8.4367 8.4367 9.6253 9.6253 9.7247 9.7247 10.6971 10.6971 11.5225 11.5226 k = 0.0833 0.0481-0.0000 ( 3370 PWs) bands (ev): -18.8471 -18.8471 -5.5354 -5.5354 -3.7830 -3.7830 -3.3734 -3.3734 -1.9950 -1.9950 -1.3941 -1.3941 -0.3694 -0.3694 -0.3653 -0.3653 -0.2865 -0.2865 -0.0645 -0.0645 0.3208 0.3208 0.3683 0.3683 0.4778 0.4778 0.5814 0.5814 0.6440 0.6440 0.9858 0.9858 4.3476 4.3476 7.0213 7.0213 7.3585 7.3585 7.9137 7.9137 8.3392 8.3392 8.4039 8.4039 9.6811 9.6811 9.8068 9.8068 10.7425 10.7425 11.5797 11.5797 k = 0.0952 0.0550-0.0000 ( 3368 PWs) bands (ev): -18.8463 -18.8463 -5.5371 -5.5371 -3.7835 -3.7835 -3.3846 -3.3846 -1.9779 -1.9779 -1.3971 -1.3971 -0.3669 -0.3669 -0.3614 -0.3614 -0.2859 -0.2859 -0.0631 -0.0631 0.3227 0.3227 0.3668 0.3668 0.4753 0.4753 0.5848 0.5848 0.6412 0.6412 0.9902 0.9902 4.3723 4.3723 6.9290 6.9290 7.3460 7.3460 7.7881 7.7881 8.3069 8.3069 8.3674 8.3674 9.7391 9.7391 9.8893 9.8893 10.7930 10.7930 11.6413 11.6413 k = 0.1071 0.0619-0.0000 ( 3374 PWs) bands (ev): -18.8455 -18.8455 -5.5390 -5.5390 -3.7842 -3.7842 -3.3966 -3.3966 -1.9591 -1.9591 -1.4004 -1.4004 -0.3641 -0.3641 -0.3569 -0.3569 -0.2852 -0.2852 -0.0614 -0.0614 0.3248 0.3248 0.3654 0.3654 0.4728 0.4728 0.5879 0.5879 0.6383 0.6383 0.9953 0.9953 4.3998 4.3998 6.8321 6.8321 7.3319 7.3319 7.6617 7.6617 8.2692 8.2692 8.3275 8.3275 9.7991 9.7991 9.9688 9.9688 10.8487 10.8487 11.7047 11.7047 k = 0.1190 0.0687-0.0000 ( 3370 PWs) bands (ev): -18.8445 -18.8445 -5.5412 -5.5412 -3.7851 -3.7851 -3.4092 -3.4092 -1.9390 -1.9390 -1.4041 -1.4041 -0.3610 -0.3610 -0.3519 -0.3519 -0.2844 -0.2844 -0.0595 -0.0595 0.3272 0.3272 0.3641 0.3641 0.4703 0.4703 0.5905 0.5905 0.6356 0.6356 1.0009 1.0009 4.4298 4.4298 6.7315 6.7315 7.3161 7.3161 7.5360 7.5360 8.2270 8.2270 8.2846 8.2846 9.8606 9.8606 10.0424 10.0424 10.9099 10.9099 11.7331 11.7331 k = 0.1310 0.0756-0.0000 ( 3376 PWs) bands (ev): -18.8435 -18.8435 -5.5437 -5.5437 -3.7861 -3.7861 -3.4222 -3.4222 -1.9178 -1.9178 -1.4080 -1.4080 -0.3577 -0.3577 -0.3464 -0.3464 -0.2834 -0.2834 -0.0573 -0.0573 0.3299 0.3299 0.3630 0.3630 0.4678 0.4678 0.5923 0.5923 0.6333 0.6333 1.0070 1.0070 4.4620 4.4620 6.6278 6.6278 7.2979 7.2979 7.4128 7.4128 8.1810 8.1810 8.2393 8.2393 9.9232 9.9232 10.1071 10.1071 10.9769 10.9769 11.7340 11.7340 k = 0.1429 0.0825-0.0000 ( 3362 PWs) bands (ev): -18.8424 -18.8424 -5.5464 -5.5464 -3.7873 -3.7873 -3.4354 -3.4354 -1.8956 -1.8956 -1.4123 -1.4123 -0.3542 -0.3542 -0.3403 -0.3403 -0.2822 -0.2822 -0.0548 -0.0548 0.3328 0.3328 0.3621 0.3621 0.4654 0.4654 0.5930 0.5930 0.6317 0.6317 1.0136 1.0136 4.4963 4.4963 6.5213 6.5213 7.2666 7.2666 7.3041 7.3041 8.1317 8.1317 8.1920 8.1920 9.9866 9.9866 10.1600 10.1600 11.0504 11.0504 11.7380 11.7380 k = 0.1548 0.0894-0.0000 ( 3360 PWs) bands (ev): -18.8412 -18.8412 -5.5493 -5.5493 -3.7889 -3.7889 -3.4486 -3.4486 -1.8727 -1.8727 -1.4169 -1.4169 -0.3505 -0.3505 -0.3338 -0.3338 -0.2807 -0.2807 -0.0520 -0.0520 0.3361 0.3361 0.3614 0.3614 0.4630 0.4630 0.5924 0.5924 0.6311 0.6311 1.0206 1.0206 4.5322 4.5322 6.4124 6.4124 7.1655 7.1655 7.2673 7.2673 8.0798 8.0798 8.1434 8.1434 10.0504 10.0504 10.1994 10.1994 11.1309 11.1309 11.7503 11.7503 k = 0.1667 0.0962-0.0000 ( 3358 PWs) bands (ev): -18.8399 -18.8399 -5.5525 -5.5525 -3.7907 -3.7907 -3.4617 -3.4617 -1.8494 -1.8494 -1.4216 -1.4216 -0.3467 -0.3467 -0.3270 -0.3270 -0.2787 -0.2787 -0.0488 -0.0488 0.3397 0.3397 0.3611 0.3611 0.4607 0.4607 0.5904 0.5904 0.6316 0.6316 1.0281 1.0281 4.5693 4.5693 6.3013 6.3013 7.0531 7.0531 7.2453 7.2453 8.0256 8.0256 8.0940 8.0940 10.1138 10.1138 10.2249 10.2249 11.2181 11.2181 11.7726 11.7726 k = 0.1786 0.1031-0.0000 ( 3366 PWs) bands (ev): -18.8386 -18.8386 -5.5559 -5.5559 -3.7929 -3.7929 -3.4743 -3.4743 -1.8259 -1.8259 -1.4265 -1.4265 -0.3428 -0.3428 -0.3200 -0.3200 -0.2762 -0.2762 -0.0453 -0.0453 0.3436 0.3436 0.3611 0.3611 0.4584 0.4584 0.5872 0.5872 0.6329 0.6329 1.0359 1.0359 4.6074 4.6074 6.1883 6.1883 6.9447 6.9447 7.2233 7.2233 7.9697 7.9697 8.0441 8.0441 10.1736 10.1736 10.2405 10.2405 11.3108 11.3108 11.8052 11.8052 k = 0.1905 0.1100-0.0000 ( 3370 PWs) bands (ev): -18.8373 -18.8373 -5.5595 -5.5595 -3.7954 -3.7954 -3.4863 -3.4863 -1.8024 -1.8024 -1.4314 -1.4314 -0.3388 -0.3388 -0.3133 -0.3133 -0.2727 -0.2727 -0.0414 -0.0414 0.3478 0.3478 0.3617 0.3617 0.4561 0.4561 0.5832 0.5832 0.6350 0.6350 1.0440 1.0440 4.6457 4.6457 6.0735 6.0735 6.8419 6.8419 7.2006 7.2006 7.9124 7.9124 7.9942 7.9942 10.2080 10.2080 10.2691 10.2691 11.4071 11.4071 11.8472 11.8472 k = 0.2024 0.1168-0.0000 ( 3372 PWs) bands (ev): -18.8359 -18.8359 -5.5633 -5.5633 -3.7985 -3.7985 -3.4976 -3.4976 -1.7792 -1.7792 -1.4364 -1.4364 -0.3348 -0.3348 -0.3071 -0.3071 -0.2680 -0.2680 -0.0371 -0.0371 0.3522 0.3522 0.3629 0.3629 0.4540 0.4540 0.5786 0.5786 0.6375 0.6375 1.0523 1.0523 4.6839 4.6839 5.9574 5.9574 6.7455 6.7455 7.1773 7.1773 7.8542 7.8542 7.9446 7.9446 10.2032 10.2032 10.3272 10.3272 11.5045 11.5045 11.8973 11.8973 k = 0.2143 0.1237-0.0000 ( 3374 PWs) bands (ev): -18.8345 -18.8345 -5.5674 -5.5674 -3.8021 -3.8021 -3.5081 -3.5081 -1.7566 -1.7566 -1.4411 -1.4411 -0.3308 -0.3308 -0.3019 -0.3019 -0.2616 -0.2616 -0.0325 -0.0325 0.3561 0.3561 0.3653 0.3653 0.4519 0.4519 0.5737 0.5737 0.6403 0.6403 1.0609 1.0609 4.7212 4.7212 5.8403 5.8403 6.6561 6.6561 7.1534 7.1534 7.7953 7.7953 7.8955 7.8955 10.1831 10.1831 10.3930 10.3930 11.6000 11.6000 11.9540 11.9540 k = 0.2262 0.1306-0.0000 ( 3374 PWs) bands (ev): -18.8331 -18.8331 -5.5716 -5.5716 -3.8061 -3.8061 -3.5175 -3.5175 -1.7348 -1.7348 -1.4455 -1.4455 -0.3268 -0.3268 -0.2978 -0.2978 -0.2536 -0.2536 -0.0274 -0.0274 0.3589 0.3589 0.3697 0.3697 0.4498 0.4498 0.5687 0.5687 0.6434 0.6434 1.0695 1.0695 4.7568 4.7568 5.7228 5.7228 6.5741 6.5741 7.1289 7.1289 7.7362 7.7362 7.8472 7.8472 10.1554 10.1554 10.4608 10.4608 11.6904 11.6904 12.0155 12.0155 k = 0.2381 0.1375-0.0000 ( 3376 PWs) bands (ev): -18.8316 -18.8316 -5.5760 -5.5760 -3.8108 -3.8108 -3.5259 -3.5259 -1.7143 -1.7143 -1.4493 -1.4493 -0.3230 -0.3230 -0.2946 -0.2946 -0.2442 -0.2442 -0.0219 -0.0219 0.3608 0.3608 0.3758 0.3758 0.4479 0.4479 0.5636 0.5636 0.6467 0.6467 1.0781 1.0781 4.7899 4.7899 5.6056 5.6056 6.5001 6.5001 7.1041 7.1041 7.6771 7.6771 7.7998 7.7998 10.1231 10.1231 10.5296 10.5296 11.7728 11.7728 12.0802 12.0802 k = 0.2500 0.1443-0.0000 ( 3380 PWs) bands (ev): -18.8301 -18.8301 -5.5805 -5.5805 -3.8159 -3.8159 -3.5331 -3.5331 -1.6954 -1.6954 -1.4524 -1.4524 -0.3192 -0.3192 -0.2920 -0.2920 -0.2336 -0.2336 -0.0160 -0.0160 0.3623 0.3623 0.3832 0.3832 0.4462 0.4462 0.5588 0.5588 0.6503 0.6503 1.0866 1.0866 4.8192 4.8192 5.4896 5.4896 6.4346 6.4346 7.0790 7.0790 7.6182 7.6182 7.7536 7.7536 10.0879 10.0879 10.5989 10.5989 11.8451 11.8451 12.1461 12.1461 k = 0.2619 0.1512-0.0000 ( 3376 PWs) bands (ev): -18.8287 -18.8287 -5.5852 -5.5852 -3.8216 -3.8216 -3.5391 -3.5391 -1.6784 -1.6784 -1.4544 -1.4544 -0.3157 -0.3157 -0.2899 -0.2899 -0.2223 -0.2223 -0.0098 -0.0098 0.3636 0.3636 0.3913 0.3913 0.4448 0.4448 0.5542 0.5542 0.6542 0.6542 1.0950 1.0950 4.8432 4.8432 5.3760 5.3760 6.3780 6.3780 7.0538 7.0538 7.5598 7.5598 7.7087 7.7087 10.0512 10.0512 10.6684 10.6684 11.9061 11.9061 12.2109 12.2109 k = 0.2738 0.1581-0.0000 ( 3376 PWs) bands (ev): -18.8272 -18.8272 -5.5899 -5.5899 -3.8278 -3.8278 -3.5441 -3.5441 -1.6637 -1.6637 -1.4549 -1.4549 -0.3124 -0.3124 -0.2881 -0.2881 -0.2105 -0.2105 -0.0032 -0.0032 0.3647 0.3647 0.3998 0.3998 0.4438 0.4438 0.5501 0.5501 0.6585 0.6585 1.1031 1.1031 4.8595 4.8595 5.2672 5.2672 6.3307 6.3307 7.0287 7.0287 7.5023 7.5023 7.6653 7.6653 10.0140 10.0140 10.7376 10.7376 11.9559 11.9559 12.2712 12.2712 k = 0.2857 0.1650-0.0000 ( 3374 PWs) bands (ev): -18.8257 -18.8257 -5.5947 -5.5947 -3.8343 -3.8343 -3.5479 -3.5479 -1.6517 -1.6517 -1.4538 -1.4538 -0.3093 -0.3093 -0.2864 -0.2864 -0.1984 -0.1984 0.0038 0.0038 0.3658 0.3658 0.4081 0.4081 0.4438 0.4438 0.5468 0.5468 0.6634 0.6634 1.1108 1.1108 4.8634 4.8634 5.1673 5.1673 6.2930 6.2930 7.0037 7.0037 7.4456 7.4456 7.6235 7.6235 9.9771 9.9771 10.8062 10.8062 11.9948 11.9948 12.3232 12.3232 k = 0.2976 0.1718-0.0000 ( 3386 PWs) bands (ev): -18.8243 -18.8243 -5.5996 -5.5996 -3.8411 -3.8411 -3.5507 -3.5507 -1.6425 -1.6425 -1.4509 -1.4509 -0.3066 -0.3066 -0.2847 -0.2847 -0.1863 -0.1863 0.0110 0.0110 0.3666 0.3666 0.4151 0.4151 0.4454 0.4454 0.5443 0.5443 0.6691 0.6691 1.1181 1.1181 4.8462 4.8462 5.0854 5.0854 6.2651 6.2651 6.9791 6.9791 7.3901 7.3901 7.5834 7.5834 9.9409 9.9409 10.8739 10.8739 12.0234 12.0234 12.3630 12.3630 k = 0.3095 0.1787-0.0000 ( 3382 PWs) bands (ev): -18.8229 -18.8229 -5.6044 -5.6044 -3.8481 -3.8481 -3.5525 -3.5525 -1.6361 -1.6361 -1.4462 -1.4462 -0.3041 -0.3041 -0.2831 -0.2831 -0.1743 -0.1743 0.0184 0.0184 0.3673 0.3673 0.4196 0.4196 0.4496 0.4496 0.5430 0.5430 0.6757 0.6757 1.1248 1.1248 4.7974 4.7974 5.0320 5.0320 6.2470 6.2470 6.9550 6.9550 7.3360 7.3360 7.5451 7.5451 9.9060 9.9060 10.9402 10.9402 12.0414 12.0414 12.3887 12.3887 k = 0.3214 0.1856-0.0000 ( 3394 PWs) bands (ev): -18.8216 -18.8216 -5.6092 -5.6092 -3.8552 -3.8552 -3.5535 -3.5535 -1.6325 -1.6325 -1.4398 -1.4398 -0.3021 -0.3021 -0.2815 -0.2815 -0.1627 -0.1627 0.0259 0.0259 0.3679 0.3679 0.4213 0.4213 0.4558 0.4558 0.5433 0.5433 0.6837 0.6837 1.1307 1.1307 4.7211 4.7211 5.0035 5.0035 6.2383 6.2383 6.9314 6.9314 7.2832 7.2832 7.5088 7.5088 9.8726 9.8726 11.0045 11.0045 12.0478 12.0478 12.4031 12.4031 k = 0.3333 0.1925-0.0000 ( 3398 PWs) bands (ev): -18.8203 -18.8203 -5.6139 -5.6139 -3.8624 -3.8624 -3.5538 -3.5538 -1.6311 -1.6311 -1.4322 -1.4322 -0.3003 -0.3003 -0.2799 -0.2799 -0.1514 -0.1514 0.0335 0.0335 0.3682 0.3682 0.4212 0.4212 0.4625 0.4625 0.5455 0.5455 0.6934 0.6934 1.1359 1.1359 4.6320 4.6320 4.9862 4.9862 6.2384 6.2384 6.9087 6.9087 7.2320 7.2320 7.4745 7.4745 9.8411 9.8411 11.0665 11.0665 12.0412 12.0412 12.4128 12.4128 k = 0.3452 0.1993-0.0000 ( 3398 PWs) bands (ev): -18.8190 -18.8190 -5.6185 -5.6185 -3.8694 -3.8694 -3.5535 -3.5535 -1.6316 -1.6316 -1.4237 -1.4237 -0.2988 -0.2988 -0.2783 -0.2783 -0.1407 -0.1407 0.0410 0.0410 0.3684 0.3684 0.4202 0.4202 0.4683 0.4683 0.5496 0.5496 0.7052 0.7052 1.1401 1.1401 4.5394 4.5394 4.9717 4.9717 6.2464 6.2464 6.8867 6.8867 7.1825 7.1825 7.4424 7.4424 9.8115 9.8115 11.1257 11.1257 12.0212 12.0212 12.4244 12.4244 k = 0.3571 0.2062-0.0000 ( 3392 PWs) bands (ev): -18.8178 -18.8178 -5.6229 -5.6229 -3.8762 -3.8762 -3.5527 -3.5527 -1.6334 -1.6334 -1.4148 -1.4148 -0.2976 -0.2976 -0.2768 -0.2768 -0.1305 -0.1305 0.0484 0.0484 0.3685 0.3685 0.4186 0.4186 0.4727 0.4727 0.5553 0.5553 0.7194 0.7194 1.1431 1.1431 4.4477 4.4477 4.9569 4.9569 6.2612 6.2612 6.8658 6.8658 7.1347 7.1347 7.4123 7.4123 9.7839 9.7839 11.1815 11.1815 11.9894 11.9894 12.4421 12.4421 k = 0.3690 0.2131-0.0000 ( 3386 PWs) bands (ev): -18.8167 -18.8167 -5.6271 -5.6271 -3.8827 -3.8827 -3.5515 -3.5515 -1.6362 -1.6362 -1.4058 -1.4058 -0.2966 -0.2966 -0.2753 -0.2753 -0.1211 -0.1211 0.0555 0.0555 0.3684 0.3684 0.4167 0.4167 0.4756 0.4756 0.5619 0.5619 0.7364 0.7364 1.1450 1.1450 4.3591 4.3591 4.9411 4.9411 6.2818 6.2818 6.8460 6.8460 7.0887 7.0887 7.3845 7.3845 9.7585 9.7585 11.2337 11.2337 11.9488 11.9488 12.4669 12.4669 k = 0.3810 0.2199-0.0000 ( 3380 PWs) bands (ev): -18.8157 -18.8157 -5.6311 -5.6311 -3.8889 -3.8889 -3.5501 -3.5501 -1.6397 -1.6397 -1.3970 -1.3970 -0.2958 -0.2958 -0.2738 -0.2738 -0.1123 -0.1123 0.0622 0.0622 0.3683 0.3683 0.4145 0.4145 0.4773 0.4773 0.5686 0.5686 0.7562 0.7562 1.1454 1.1454 4.2748 4.2748 4.9245 4.9245 6.3070 6.3070 6.8274 6.8274 7.0445 7.0445 7.3590 7.3590 9.7353 9.7353 11.2818 11.2818 11.9032 11.9032 12.4985 12.4985 k = 0.3929 0.2268-0.0000 ( 3378 PWs) bands (ev): -18.8147 -18.8147 -5.6349 -5.6349 -3.8946 -3.8946 -3.5484 -3.5484 -1.6435 -1.6435 -1.3887 -1.3887 -0.2952 -0.2952 -0.2725 -0.2725 -0.1043 -0.1043 0.0685 0.0685 0.3682 0.3682 0.4122 0.4122 0.4784 0.4784 0.5749 0.5749 0.7785 0.7785 1.1443 1.1443 4.1958 4.1958 4.9074 4.9074 6.3358 6.3358 6.8100 6.8100 7.0021 7.0021 7.3358 7.3358 9.7143 9.7143 11.3257 11.3257 11.8554 11.8554 12.5361 12.5361 k = 0.4048 0.2337-0.0000 ( 3378 PWs) bands (ev): -18.8138 -18.8138 -5.6383 -5.6383 -3.8999 -3.8999 -3.5467 -3.5467 -1.6473 -1.6473 -1.3809 -1.3809 -0.2947 -0.2947 -0.2714 -0.2714 -0.0970 -0.0970 0.0743 0.0743 0.3680 0.3680 0.4098 0.4098 0.4789 0.4789 0.5804 0.5804 0.8030 0.8030 1.1415 1.1415 4.1229 4.1229 4.8904 4.8904 6.3671 6.3671 6.7940 6.7940 6.9615 6.9615 7.3150 7.3150 9.6956 9.6956 11.3651 11.3651 11.8080 11.8080 12.5785 12.5785 k = 0.4167 0.2406-0.0000 ( 3378 PWs) bands (ev): -18.8130 -18.8130 -5.6414 -5.6414 -3.9047 -3.9047 -3.5450 -3.5450 -1.6511 -1.6511 -1.3739 -1.3739 -0.2943 -0.2943 -0.2703 -0.2703 -0.0905 -0.0905 0.0795 0.0795 0.3679 0.3679 0.4075 0.4075 0.4792 0.4792 0.5851 0.5851 0.8290 0.8290 1.1370 1.1370 4.0567 4.0567 4.8742 4.8742 6.4001 6.4001 6.7791 6.7791 6.9229 6.9229 7.2965 7.2965 9.6791 9.6791 11.4000 11.4000 11.7629 11.7629 12.6252 12.6252 k = 0.4286 0.2474-0.0000 ( 3380 PWs) bands (ev): -18.8123 -18.8123 -5.6442 -5.6442 -3.9089 -3.9089 -3.5434 -3.5434 -1.6547 -1.6547 -1.3678 -1.3678 -0.2940 -0.2940 -0.2694 -0.2694 -0.0849 -0.0849 0.0841 0.0841 0.3678 0.3678 0.4052 0.4052 0.4794 0.4794 0.5890 0.5890 0.8559 0.8559 1.1306 1.1306 3.9978 3.9978 4.8591 4.8591 6.4342 6.4342 6.7654 6.7654 6.8863 6.8863 7.2805 7.2805 9.6648 9.6648 11.4303 11.4303 11.7213 11.7213 12.6752 12.6752 k = 0.4405 0.2543-0.0000 ( 3388 PWs) bands (ev): -18.8117 -18.8117 -5.6466 -5.6466 -3.9125 -3.9125 -3.5419 -3.5419 -1.6579 -1.6579 -1.3625 -1.3625 -0.2937 -0.2937 -0.2686 -0.2686 -0.0801 -0.0801 0.0881 0.0881 0.3678 0.3678 0.4030 0.4030 0.4795 0.4795 0.5920 0.5920 0.8829 0.8829 1.1224 1.1224 3.9469 3.9469 4.8457 4.8457 6.4687 6.4687 6.7523 6.7523 6.8521 6.8521 7.2669 7.2669 9.6527 9.6527 11.4561 11.4561 11.6842 11.6842 12.7278 12.7278 k = 0.4524 0.2612-0.0000 ( 3388 PWs) bands (ev): -18.8112 -18.8112 -5.6485 -5.6485 -3.9155 -3.9155 -3.5405 -3.5405 -1.6606 -1.6606 -1.3581 -1.3581 -0.2935 -0.2935 -0.2680 -0.2680 -0.0761 -0.0761 0.0914 0.0914 0.3679 0.3679 0.4011 0.4011 0.4796 0.4796 0.5944 0.5944 0.9093 0.9093 1.1125 1.1125 3.9044 3.9044 4.8342 4.8342 6.5032 6.5032 6.7389 6.7389 6.8214 6.8214 7.2557 7.2557 9.6429 9.6429 11.4775 11.4775 11.6526 11.6526 12.7818 12.7818 k = 0.4643 0.2681-0.0000 ( 3400 PWs) bands (ev): -18.8109 -18.8109 -5.6501 -5.6501 -3.9179 -3.9179 -3.5395 -3.5395 -1.6628 -1.6628 -1.3547 -1.3547 -0.2934 -0.2934 -0.2675 -0.2675 -0.0730 -0.0730 0.0939 0.0939 0.3680 0.3680 0.3994 0.3994 0.4796 0.4796 0.5962 0.5962 0.9338 0.9338 1.1014 1.1014 3.8709 3.8709 4.8250 4.8250 6.5369 6.5369 6.7236 6.7236 6.7959 6.7959 7.2470 7.2470 9.6352 9.6352 11.4947 11.4947 11.6267 11.6267 12.8357 12.8357 k = 0.4762 0.2749-0.0000 ( 3404 PWs) bands (ev): -18.8106 -18.8106 -5.6512 -5.6512 -3.9195 -3.9195 -3.5387 -3.5387 -1.6644 -1.6644 -1.3522 -1.3522 -0.2933 -0.2933 -0.2672 -0.2672 -0.0707 -0.0707 0.0958 0.0958 0.3681 0.3681 0.3982 0.3982 0.4796 0.4796 0.5974 0.5974 0.9550 0.9550 1.0902 1.0902 3.8466 3.8466 4.8183 4.8183 6.5692 6.5692 6.7044 6.7044 6.7779 6.7779 7.2408 7.2408 9.6298 9.6298 11.5076 11.5076 11.6073 11.6073 12.8862 12.8862 k = 0.4881 0.2818-0.0000 ( 3406 PWs) bands (ev): -18.8104 -18.8104 -5.6519 -5.6519 -3.9206 -3.9206 -3.5382 -3.5382 -1.6654 -1.6654 -1.3507 -1.3507 -0.2933 -0.2933 -0.2670 -0.2670 -0.0694 -0.0694 0.0969 0.0969 0.3682 0.3682 0.3974 0.3974 0.4797 0.4797 0.5981 0.5981 0.9705 0.9705 1.0809 1.0809 3.8320 3.8320 4.8142 4.8142 6.5976 6.5976 6.6831 6.6831 6.7681 6.7681 7.2371 7.2371 9.6265 9.6265 11.5159 11.5159 11.5949 11.5949 12.9264 12.9264 k = 0.5000 0.2887-0.0000 ( 3406 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9209 -3.9209 -3.5381 -3.5381 -1.6657 -1.6657 -1.3502 -1.3502 -0.2932 -0.2932 -0.2669 -0.2669 -0.0689 -0.0689 0.0973 0.0973 0.3682 0.3682 0.3971 0.3971 0.4797 0.4797 0.5984 0.5984 0.9764 0.9764 1.0771 1.0771 3.8271 3.8271 4.8129 4.8129 6.6120 6.6120 6.6708 6.6708 6.7650 6.7650 7.2358 7.2358 9.6254 9.6254 11.5189 11.5189 11.5905 11.5905 12.9429 12.9429 k = 0.5000 0.2887-0.0000 ( 3406 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9209 -3.9209 -3.5381 -3.5381 -1.6657 -1.6657 -1.3502 -1.3502 -0.2932 -0.2932 -0.2669 -0.2669 -0.0689 -0.0689 0.0973 0.0973 0.3682 0.3682 0.3971 0.3971 0.4797 0.4797 0.5984 0.5984 0.9764 0.9764 1.0771 1.0771 3.8271 3.8271 4.8129 4.8129 6.6120 6.6120 6.6708 6.6708 6.7650 6.7650 7.2358 7.2358 9.6254 9.6254 11.5189 11.5189 11.5905 11.5905 12.9429 12.9429 k = 0.4931 0.3007-0.0000 ( 3394 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9207 -3.9207 -3.5387 -3.5387 -1.6652 -1.6652 -1.3504 -1.3504 -0.2934 -0.2934 -0.2668 -0.2668 -0.0696 -0.0696 0.0980 0.0980 0.3681 0.3681 0.3973 0.3973 0.4796 0.4796 0.5983 0.5983 0.9767 0.9767 1.0777 1.0777 3.8283 3.8283 4.8108 4.8108 6.6105 6.6105 6.6718 6.6718 6.7587 6.7587 7.2364 7.2364 9.6349 9.6349 11.5197 11.5197 11.5884 11.5884 12.9464 12.9464 k = 0.4861 0.3127-0.0000 ( 3404 PWs) bands (ev): -18.8103 -18.8103 -5.6521 -5.6521 -3.9201 -3.9201 -3.5405 -3.5405 -1.6636 -1.6636 -1.3509 -1.3509 -0.2938 -0.2938 -0.2662 -0.2662 -0.0715 -0.0715 0.1002 0.1002 0.3678 0.3678 0.3977 0.3977 0.4795 0.4795 0.5981 0.5981 0.9777 0.9777 1.0795 1.0795 3.8320 3.8320 4.8046 4.8046 6.6046 6.6046 6.6744 6.6744 6.7416 6.7416 7.2379 7.2379 9.6629 9.6629 11.5222 11.5222 11.5821 11.5821 12.9568 12.9568 k = 0.4792 0.3248-0.0000 ( 3408 PWs) bands (ev): -18.8102 -18.8102 -5.6521 -5.6521 -3.9191 -3.9191 -3.5436 -3.5436 -1.6611 -1.6611 -1.3518 -1.3518 -0.2944 -0.2944 -0.2654 -0.2654 -0.0746 -0.0746 0.1036 0.1036 0.3675 0.3675 0.3982 0.3982 0.4792 0.4792 0.5977 0.5977 0.9794 0.9794 1.0825 1.0825 3.8381 3.8381 4.7944 4.7944 6.5897 6.5897 6.6768 6.6768 6.7214 6.7214 7.2402 7.2402 9.7083 9.7083 11.5261 11.5261 11.5717 11.5717 12.9739 12.9739 k = 0.4722 0.3368-0.0000 ( 3400 PWs) bands (ev): -18.8101 -18.8101 -5.6521 -5.6521 -3.9177 -3.9177 -3.5478 -3.5478 -1.6575 -1.6575 -1.3530 -1.3530 -0.2952 -0.2952 -0.2643 -0.2643 -0.0787 -0.0787 0.1081 0.1081 0.3671 0.3671 0.3990 0.3990 0.4790 0.4790 0.5971 0.5971 0.9817 0.9817 1.0868 1.0868 3.8467 3.8467 4.7804 4.7804 6.5577 6.5577 6.6750 6.6750 6.7118 6.7118 7.2433 7.2433 9.7692 9.7692 11.5315 11.5315 11.5575 11.5575 12.9970 12.9970 k = 0.4653 0.3488-0.0000 ( 3396 PWs) bands (ev): -18.8099 -18.8099 -5.6520 -5.6520 -3.9160 -3.9160 -3.5531 -3.5531 -1.6531 -1.6531 -1.3546 -1.3546 -0.2962 -0.2962 -0.2629 -0.2629 -0.0835 -0.0835 0.1135 0.1135 0.3668 0.3668 0.3998 0.3998 0.4787 0.4787 0.5962 0.5962 0.9846 0.9846 1.0922 1.0922 3.8576 3.8576 4.7629 4.7629 6.5047 6.5047 6.6715 6.6715 6.7165 6.7165 7.2469 7.2469 9.8436 9.8436 11.5378 11.5378 11.5404 11.5404 13.0251 13.0251 k = 0.4583 0.3608-0.0000 ( 3398 PWs) bands (ev): -18.8097 -18.8097 -5.6520 -5.6520 -3.9139 -3.9139 -3.5594 -3.5594 -1.6478 -1.6478 -1.3564 -1.3564 -0.2973 -0.2973 -0.2614 -0.2614 -0.0888 -0.0888 0.1194 0.1194 0.3668 0.3668 0.4006 0.4006 0.4783 0.4783 0.5951 0.5951 0.9880 0.9880 1.0988 1.0988 3.8708 3.8708 4.7420 4.7420 6.4349 6.4349 6.6713 6.6713 6.7278 6.7278 7.2508 7.2508 9.9293 9.9293 11.5196 11.5196 11.5459 11.5459 13.0555 13.0555 k = 0.4514 0.3729-0.0000 ( 3398 PWs) bands (ev): -18.8095 -18.8095 -5.6520 -5.6520 -3.9115 -3.9115 -3.5665 -3.5665 -1.6417 -1.6417 -1.3586 -1.3586 -0.2984 -0.2984 -0.2597 -0.2597 -0.0946 -0.0946 0.1257 0.1257 0.3671 0.3671 0.4014 0.4014 0.4780 0.4780 0.5936 0.5936 0.9918 0.9918 1.1065 1.1065 3.8863 3.8863 4.7183 4.7183 6.3538 6.3538 6.6746 6.6746 6.7424 6.7424 7.2546 7.2546 10.0241 10.0241 11.4971 11.4971 11.5544 11.5544 13.0820 13.0820 k = 0.4444 0.3849-0.0000 ( 3402 PWs) bands (ev): -18.8093 -18.8093 -5.6520 -5.6520 -3.9088 -3.9088 -3.5744 -3.5744 -1.6351 -1.6351 -1.3611 -1.3611 -0.2995 -0.2995 -0.2579 -0.2579 -0.1006 -0.1006 0.1321 0.1321 0.3678 0.3678 0.4022 0.4022 0.4777 0.4777 0.5919 0.5919 0.9960 0.9960 1.1153 1.1153 3.9039 3.9039 4.6921 4.6921 6.2650 6.2650 6.6803 6.6803 6.7591 6.7591 7.2580 7.2580 10.1262 10.1262 11.4732 11.4732 11.5632 11.5632 13.0885 13.0887 k = 0.4375 0.3969-0.0000 ( 3398 PWs) bands (ev): -18.8090 -18.8090 -5.6520 -5.6520 -3.9059 -3.9059 -3.5829 -3.5829 -1.6278 -1.6278 -1.3638 -1.3638 -0.3007 -0.3007 -0.2560 -0.2560 -0.1067 -0.1067 0.1384 0.1384 0.3690 0.3690 0.4030 0.4030 0.4775 0.4775 0.5897 0.5897 1.0005 1.0005 1.1250 1.1250 3.9236 3.9236 4.6637 4.6637 6.1713 6.1713 6.6880 6.6880 6.7774 6.7774 7.2609 7.2609 10.2337 10.2337 11.4486 11.4486 11.5721 11.5721 13.0524 13.0524 k = 0.4306 0.4090-0.0000 ( 3392 PWs) bands (ev): -18.8087 -18.8087 -5.6521 -5.6521 -3.9027 -3.9027 -3.5918 -3.5918 -1.6202 -1.6202 -1.3668 -1.3668 -0.3018 -0.3018 -0.2541 -0.2541 -0.1127 -0.1127 0.1446 0.1446 0.3708 0.3708 0.4038 0.4038 0.4773 0.4773 0.5872 0.5872 1.0053 1.0053 1.1356 1.1356 3.9452 3.9452 4.6336 4.6336 6.0746 6.0746 6.6973 6.6973 6.7969 6.7969 7.2629 7.2629 10.3452 10.3452 11.4243 11.4243 11.5806 11.5806 12.9998 12.9998 k = 0.4236 0.4210-0.0000 ( 3390 PWs) bands (ev): -18.8084 -18.8084 -5.6522 -5.6522 -3.8994 -3.8994 -3.6010 -3.6010 -1.6122 -1.6122 -1.3700 -1.3700 -0.3028 -0.3028 -0.2520 -0.2520 -0.1187 -0.1187 0.1504 0.1504 0.3730 0.3730 0.4046 0.4046 0.4771 0.4771 0.5844 0.5844 1.0103 1.0103 1.1470 1.1470 3.9685 3.9685 4.6023 4.6023 5.9766 5.9766 6.7081 6.7081 6.8171 6.8171 7.2639 7.2639 10.4594 10.4594 11.4009 11.4009 11.5883 11.5883 12.9358 12.9360 k = 0.4167 0.4330-0.0000 ( 3398 PWs) bands (ev): -18.8081 -18.8081 -5.6523 -5.6523 -3.8960 -3.8960 -3.6103 -3.6103 -1.6041 -1.6041 -1.3733 -1.3733 -0.3038 -0.3038 -0.2500 -0.2500 -0.1245 -0.1245 0.1558 0.1558 0.3757 0.3757 0.4056 0.4056 0.4770 0.4770 0.5812 0.5812 1.0154 1.0154 1.1588 1.1588 3.9934 3.9934 4.5702 4.5702 5.8789 5.8789 6.7202 6.7202 6.8377 6.8377 7.2636 7.2636 10.5755 10.5755 11.3794 11.3794 11.5946 11.5946 12.8552 12.8554 k = 0.4097 0.4450-0.0000 ( 3386 PWs) bands (ev): -18.8078 -18.8078 -5.6524 -5.6524 -3.8926 -3.8926 -3.6196 -3.6196 -1.5960 -1.5960 -1.3767 -1.3767 -0.3047 -0.3047 -0.2479 -0.2479 -0.1301 -0.1301 0.1607 0.1607 0.3787 0.3787 0.4068 0.4068 0.4769 0.4769 0.5778 0.5778 1.0205 1.0205 1.1711 1.1711 4.0197 4.0197 4.5377 4.5377 5.7825 5.7825 6.7335 6.7335 6.8581 6.8581 7.2620 7.2620 10.6926 10.6926 11.3603 11.3603 11.5990 11.5990 12.7685 12.7685 k = 0.4028 0.4571-0.0000 ( 3382 PWs) bands (ev): -18.8074 -18.8074 -5.6526 -5.6526 -3.8892 -3.8892 -3.6287 -3.6287 -1.5880 -1.5880 -1.3802 -1.3802 -0.3055 -0.3055 -0.2458 -0.2458 -0.1353 -0.1353 0.1650 0.1650 0.3818 0.3818 0.4084 0.4084 0.4768 0.4768 0.5741 0.5741 1.0258 1.0258 1.1834 1.1834 4.0469 4.0469 4.5053 4.5053 5.6889 5.6889 6.7480 6.7480 6.8781 6.8781 7.2589 7.2589 10.8101 10.8101 11.3444 11.3444 11.6009 11.6009 12.6828 12.6828 k = 0.3958 0.4691-0.0000 ( 3382 PWs) bands (ev): -18.8071 -18.8071 -5.6527 -5.6527 -3.8858 -3.8858 -3.6374 -3.6374 -1.5803 -1.5803 -1.3837 -1.3837 -0.3063 -0.3063 -0.2437 -0.2437 -0.1403 -0.1403 0.1689 0.1689 0.3847 0.3847 0.4105 0.4105 0.4767 0.4767 0.5703 0.5703 1.0310 1.0310 1.1956 1.1956 4.0749 4.0749 4.4734 4.4734 5.5990 5.5990 6.7633 6.7633 6.8971 6.8971 7.2544 7.2544 10.9273 10.9273 11.3322 11.3322 11.6000 11.6000 12.6002 12.6002 k = 0.3889 0.4811-0.0000 ( 3386 PWs) bands (ev): -18.8068 -18.8068 -5.6530 -5.6530 -3.8827 -3.8827 -3.6456 -3.6456 -1.5729 -1.5729 -1.3870 -1.3870 -0.3069 -0.3069 -0.2417 -0.2417 -0.1448 -0.1448 0.1722 0.1722 0.3872 0.3872 0.4134 0.4134 0.4766 0.4766 0.5665 0.5665 1.0362 1.0362 1.2075 1.2075 4.1032 4.1032 4.4424 4.4424 5.5141 5.5141 6.7795 6.7795 6.9147 6.9147 7.2486 7.2486 11.0437 11.0437 11.3244 11.3244 11.5959 11.5959 12.5218 12.5219 k = 0.3819 0.4932-0.0000 ( 3374 PWs) bands (ev): -18.8065 -18.8065 -5.6532 -5.6532 -3.8798 -3.8798 -3.6531 -3.6531 -1.5661 -1.5661 -1.3902 -1.3902 -0.3074 -0.3074 -0.2398 -0.2398 -0.1489 -0.1489 0.1750 0.1750 0.3891 0.3891 0.4170 0.4170 0.4765 0.4765 0.5626 0.5626 1.0413 1.0413 1.2187 1.2187 4.1312 4.1312 4.4126 4.4126 5.4353 5.4353 6.7962 6.7962 6.9306 6.9306 7.2415 7.2415 11.1579 11.1579 11.3222 11.3222 11.5886 11.5886 12.4480 12.4480 k = 0.3750 0.5052-0.0000 ( 3374 PWs) bands (ev): -18.8063 -18.8063 -5.6535 -5.6535 -3.8773 -3.8773 -3.6598 -3.6598 -1.5601 -1.5601 -1.3930 -1.3930 -0.3079 -0.3079 -0.2380 -0.2380 -0.1526 -0.1526 0.1774 0.1774 0.3905 0.3905 0.4210 0.4210 0.4764 0.4764 0.5589 0.5589 1.0461 1.0461 1.2290 1.2290 4.1584 4.1584 4.3846 4.3846 5.3638 5.3638 6.8132 6.8132 6.9444 6.9444 7.2334 7.2334 11.2620 11.2620 11.3326 11.3326 11.5789 11.5789 12.3786 12.3786 k = 0.3681 0.5172-0.0000 ( 3378 PWs) bands (ev): -18.8060 -18.8060 -5.6537 -5.6537 -3.8751 -3.8751 -3.6656 -3.6656 -1.5548 -1.5548 -1.3955 -1.3955 -0.3082 -0.3082 -0.2364 -0.2364 -0.1557 -0.1557 0.1794 0.1794 0.3913 0.3913 0.4251 0.4251 0.4763 0.4763 0.5554 0.5554 1.0507 1.0507 1.2382 1.2382 4.1841 4.1841 4.3587 4.3587 5.3007 5.3007 6.8301 6.8301 6.9559 6.9559 7.2247 7.2247 11.3102 11.3102 11.3980 11.3980 11.5706 11.5706 12.3128 12.3128 k = 0.3611 0.5292-0.0000 ( 3368 PWs) bands (ev): -18.8058 -18.8058 -5.6540 -5.6540 -3.8734 -3.8734 -3.6703 -3.6703 -1.5505 -1.5505 -1.3975 -1.3975 -0.3085 -0.3085 -0.2349 -0.2349 -0.1583 -0.1583 0.1810 0.1810 0.3919 0.3919 0.4291 0.4291 0.4763 0.4763 0.5522 0.5522 1.0549 1.0549 1.2461 1.2461 4.2077 4.2077 4.3351 4.3351 5.2474 5.2474 6.8463 6.8463 6.9648 6.9648 7.2157 7.2157 11.3255 11.3255 11.4740 11.4740 11.5853 11.5853 12.2479 12.2479 k = 0.3542 0.5413-0.0000 ( 3364 PWs) bands (ev): -18.8057 -18.8057 -5.6542 -5.6542 -3.8721 -3.8721 -3.6739 -3.6739 -1.5472 -1.5472 -1.3990 -1.3990 -0.3087 -0.3087 -0.2338 -0.2338 -0.1603 -0.1603 0.1822 0.1822 0.3922 0.3922 0.4324 0.4324 0.4763 0.4763 0.5496 0.5496 1.0585 1.0585 1.2523 1.2523 4.2283 4.2283 4.3144 4.3144 5.2049 5.2049 6.8611 6.8611 6.9713 6.9713 7.2071 7.2071 11.3413 11.3413 11.4865 11.4865 11.6639 11.6639 12.1795 12.1795 k = 0.3472 0.5533-0.0000 ( 3364 PWs) bands (ev): -18.8055 -18.8055 -5.6544 -5.6544 -3.8712 -3.8712 -3.6765 -3.6765 -1.5448 -1.5448 -1.4000 -1.4000 -0.3089 -0.3089 -0.2329 -0.2329 -0.1618 -0.1618 0.1831 0.1831 0.3924 0.3924 0.4350 0.4350 0.4765 0.4765 0.5476 0.5476 1.0614 1.0614 1.2568 1.2568 4.2454 4.2454 4.2969 4.2969 5.1741 5.1741 6.8734 6.8734 6.9755 6.9755 7.1997 7.1997 11.3609 11.3609 11.4691 11.4691 11.7695 11.7695 12.1093 12.1093 k = 0.3403 0.5653-0.0000 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8708 -3.8708 -3.6780 -3.6780 -1.5435 -1.5435 -1.4005 -1.4005 -0.3089 -0.3089 -0.2324 -0.2324 -0.1626 -0.1626 0.1836 0.1836 0.3924 0.3924 0.4365 0.4365 0.4766 0.4766 0.5464 0.5464 1.0634 1.0634 1.2595 1.2595 4.2583 4.2583 4.2833 4.2833 5.1557 5.1557 6.8817 6.8817 6.9778 6.9778 7.1944 7.1944 11.3845 11.3845 11.4441 11.4441 11.8779 11.8779 12.0401 12.0401 k = 0.3333 0.5774-0.0000 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8706 -3.8706 -3.6785 -3.6785 -1.5431 -1.5431 -1.4007 -1.4007 -0.3089 -0.3089 -0.2322 -0.2322 -0.1629 -0.1629 0.1838 0.1838 0.3924 0.3924 0.4370 0.4370 0.4767 0.4767 0.5460 0.5460 1.0641 1.0641 1.2604 1.2604 4.2641 4.2641 4.2770 4.2770 5.1496 5.1496 6.8847 6.8847 6.9786 6.9786 7.1924 7.1924 11.4061 11.4061 11.4216 11.4216 11.9650 11.9650 11.9792 11.9792 k = 0.3333 0.5774-0.0000 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8706 -3.8706 -3.6785 -3.6785 -1.5431 -1.5431 -1.4007 -1.4007 -0.3089 -0.3089 -0.2322 -0.2322 -0.1629 -0.1629 0.1838 0.1838 0.3924 0.3924 0.4370 0.4370 0.4767 0.4767 0.5460 0.5460 1.0641 1.0641 1.2604 1.2604 4.2641 4.2641 4.2770 4.2770 5.1496 5.1496 6.8847 6.8847 6.9786 6.9786 7.1924 7.1924 11.4061 11.4061 11.4216 11.4216 11.9650 11.9650 11.9792 11.9792 k = 0.3264 0.5653-0.0000 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8707 -3.8707 -3.6780 -3.6780 -1.5435 -1.5435 -1.4006 -1.4006 -0.3089 -0.3089 -0.2324 -0.2324 -0.1626 -0.1626 0.1836 0.1836 0.3924 0.3924 0.4366 0.4366 0.4766 0.4766 0.5464 0.5464 1.0632 1.0632 1.2596 1.2596 4.2611 4.2611 4.2808 4.2808 5.1554 5.1554 6.8815 6.8815 6.9777 6.9777 7.1948 7.1948 11.3812 11.3812 11.4474 11.4474 11.9057 11.9057 11.9838 11.9838 k = 0.3194 0.5533-0.0000 ( 3368 PWs) bands (ev): -18.8055 -18.8055 -5.6543 -5.6543 -3.8710 -3.8710 -3.6768 -3.6768 -1.5445 -1.5445 -1.4003 -1.4003 -0.3089 -0.3089 -0.2329 -0.2329 -0.1619 -0.1619 0.1830 0.1830 0.3924 0.3924 0.4353 0.4353 0.4762 0.4762 0.5475 0.5475 1.0605 1.0605 1.2572 1.2572 4.2589 4.2589 4.2863 4.2863 5.1722 5.1722 6.8719 6.8719 6.9749 6.9749 7.2024 7.2024 11.3477 11.3477 11.4834 11.4834 11.8423 11.8423 11.9513 11.9513 k = 0.3125 0.5413-0.0000 ( 3370 PWs) bands (ev): -18.8057 -18.8057 -5.6540 -5.6540 -3.8713 -3.8713 -3.6748 -3.6748 -1.5460 -1.5460 -1.4001 -1.4001 -0.3088 -0.3088 -0.2337 -0.2337 -0.1608 -0.1608 0.1819 0.1819 0.3925 0.3925 0.4333 0.4333 0.4756 0.4756 0.5492 0.5492 1.0555 1.0555 1.2535 1.2535 4.2604 4.2604 4.2920 4.2920 5.1988 5.1988 6.8562 6.8562 6.9698 6.9698 7.2155 7.2155 11.3115 11.3115 11.5229 11.5229 11.7814 11.7814 11.9176 11.9176 k = 0.3056 0.5292-0.0000 ( 3368 PWs) bands (ev): -18.8059 -18.8059 -5.6535 -5.6535 -3.8716 -3.8716 -3.6723 -3.6723 -1.5479 -1.5479 -1.3999 -1.3999 -0.3087 -0.3087 -0.2347 -0.2347 -0.1594 -0.1594 0.1803 0.1803 0.3926 0.3926 0.4308 0.4308 0.4747 0.4747 0.5513 0.5513 1.0478 1.0478 1.2490 1.2490 4.2662 4.2662 4.2988 4.2988 5.2337 5.2337 6.8352 6.8352 6.9626 6.9626 7.2337 7.2337 11.2729 11.2729 11.5639 11.5639 11.7250 11.7250 11.8875 11.8875 k = 0.2986 0.5172-0.0000 ( 3370 PWs) bands (ev): -18.8062 -18.8062 -5.6528 -5.6528 -3.8717 -3.8717 -3.6692 -3.6692 -1.5500 -1.5500 -1.4001 -1.4001 -0.3087 -0.3087 -0.2360 -0.2360 -0.1578 -0.1578 0.1782 0.1782 0.3927 0.3927 0.4280 0.4280 0.4736 0.4736 0.5535 0.5535 1.0371 1.0371 1.2439 1.2439 4.2764 4.2764 4.3079 4.3079 5.2758 5.2758 6.8094 6.8094 6.9540 6.9540 7.2563 7.2563 11.2318 11.2318 11.5963 11.5963 11.6828 11.6828 11.8623 11.8623 k = 0.2917 0.5052-0.0000 ( 3370 PWs) bands (ev): -18.8066 -18.8066 -5.6519 -5.6519 -3.8716 -3.8716 -3.6658 -3.6658 -1.5521 -1.5521 -1.4006 -1.4006 -0.3086 -0.3086 -0.2374 -0.2374 -0.1561 -0.1561 0.1753 0.1753 0.3930 0.3930 0.4249 0.4249 0.4725 0.4725 0.5558 0.5558 1.0232 1.0232 1.2386 1.2386 4.2912 4.2912 4.3200 4.3200 5.3237 5.3237 6.7794 6.7794 6.9448 6.9448 7.2824 7.2824 11.1882 11.1882 11.5815 11.5815 11.6929 11.6929 11.8424 11.8424 k = 0.2847 0.4932-0.0000 ( 3374 PWs) bands (ev): -18.8070 -18.8070 -5.6508 -5.6508 -3.8712 -3.8712 -3.6622 -3.6622 -1.5542 -1.5542 -1.4016 -1.4016 -0.3086 -0.3086 -0.2389 -0.2389 -0.1545 -0.1545 0.1718 0.1718 0.3934 0.3934 0.4217 0.4217 0.4713 0.4713 0.5580 0.5580 1.0061 1.0061 1.2333 1.2333 4.3106 4.3106 4.3359 4.3359 5.3764 5.3764 6.7457 6.7457 6.9356 6.9356 7.3115 7.3115 11.1425 11.1425 11.5357 11.5357 11.7388 11.7388 11.8276 11.8276 k = 0.2778 0.4811-0.0000 ( 3374 PWs) bands (ev): -18.8075 -18.8075 -5.6495 -5.6495 -3.8706 -3.8706 -3.6583 -3.6583 -1.5562 -1.5562 -1.4032 -1.4032 -0.3086 -0.3086 -0.2406 -0.2406 -0.1529 -0.1529 0.1675 0.1675 0.3939 0.3939 0.4184 0.4184 0.4702 0.4702 0.5599 0.5599 0.9860 0.9860 1.2282 1.2282 4.3346 4.3346 4.3562 4.3562 5.4330 5.4330 6.7091 6.7091 6.9273 6.9273 7.3428 7.3428 11.0949 11.0949 11.4859 11.4859 11.7908 11.7908 11.8196 11.8196 k = 0.2708 0.4691-0.0000 ( 3382 PWs) bands (ev): -18.8081 -18.8081 -5.6478 -5.6478 -3.8695 -3.8695 -3.6543 -3.6543 -1.5580 -1.5580 -1.4054 -1.4054 -0.3087 -0.3087 -0.2423 -0.2423 -0.1515 -0.1515 0.1624 0.1624 0.3944 0.3944 0.4151 0.4151 0.4693 0.4693 0.5615 0.5615 0.9633 0.9633 1.2231 1.2231 4.3630 4.3630 4.3812 4.3812 5.4927 5.4927 6.6701 6.6701 6.9203 6.9203 7.3762 7.3762 11.0460 11.0460 11.4366 11.4366 11.8060 11.8060 11.8555 11.8555 k = 0.2639 0.4571-0.0000 ( 3382 PWs) bands (ev): -18.8088 -18.8088 -5.6460 -5.6460 -3.8681 -3.8681 -3.6501 -3.6501 -1.5595 -1.5595 -1.4082 -1.4082 -0.3088 -0.3088 -0.2441 -0.2441 -0.1504 -0.1504 0.1564 0.1564 0.3950 0.3950 0.4120 0.4120 0.4685 0.4685 0.5625 0.5625 0.9385 0.9385 1.2182 1.2182 4.3953 4.3953 4.4114 4.4114 5.5547 5.5547 6.6296 6.6296 6.9151 6.9151 7.4111 7.4111 10.9962 10.9962 11.3888 11.3888 11.8023 11.8023 11.9150 11.9150 k = 0.2569 0.4450-0.0000 ( 3374 PWs) bands (ev): -18.8096 -18.8096 -5.6438 -5.6438 -3.8664 -3.8664 -3.6459 -3.6459 -1.5608 -1.5608 -1.4118 -1.4118 -0.3090 -0.3090 -0.2460 -0.2460 -0.1496 -0.1496 0.1495 0.1495 0.3955 0.3955 0.4092 0.4092 0.4678 0.4678 0.5631 0.5631 0.9122 0.9122 1.2132 1.2132 4.4307 4.4307 4.4473 4.4473 5.6181 5.6181 6.5885 6.5885 6.9120 6.9120 7.4474 7.4474 10.9462 10.9462 11.3428 11.3428 11.7991 11.7991 11.9764 11.9764 k = 0.2500 0.4330-0.0000 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6414 -5.6414 -3.8642 -3.8642 -3.6417 -3.6417 -1.5619 -1.5619 -1.4162 -1.4162 -0.3093 -0.3093 -0.2479 -0.2479 -0.1493 -0.1493 0.1418 0.1418 0.3954 0.3954 0.4071 0.4071 0.4674 0.4674 0.5630 0.5630 0.8849 0.8849 1.2081 1.2081 4.4687 4.4687 4.4891 4.4891 5.6822 5.6822 6.5480 6.5480 6.9113 6.9113 7.4848 7.4848 10.8963 10.8963 11.2986 11.2986 11.7959 11.7959 12.0382 12.0382 k = 0.2431 0.4210-0.0000 ( 3378 PWs) bands (ev): -18.8113 -18.8113 -5.6387 -5.6387 -3.8617 -3.8617 -3.6374 -3.6374 -1.5628 -1.5628 -1.4212 -1.4212 -0.3097 -0.3097 -0.2499 -0.2499 -0.1495 -0.1495 0.1332 0.1332 0.3942 0.3942 0.4063 0.4063 0.4671 0.4671 0.5623 0.5623 0.8575 0.8575 1.2028 1.2028 4.5090 4.5090 4.5366 4.5366 5.7459 5.7459 6.5092 6.5092 6.9132 6.9132 7.5233 7.5233 10.8470 10.8470 11.2563 11.2563 11.7917 11.7917 12.0991 12.0991 k = 0.2361 0.4090-0.0000 ( 3378 PWs) bands (ev): -18.8123 -18.8123 -5.6357 -5.6357 -3.8588 -3.8588 -3.6330 -3.6330 -1.5635 -1.5635 -1.4268 -1.4268 -0.3101 -0.3101 -0.2518 -0.2518 -0.1503 -0.1503 0.1239 0.1239 0.3920 0.3920 0.4069 0.4069 0.4669 0.4669 0.5608 0.5608 0.8306 0.8306 1.1971 1.1971 4.5513 4.5513 4.5891 4.5891 5.8080 5.8080 6.4741 6.4741 6.9181 6.9181 7.5626 7.5626 10.7987 10.7987 11.2160 11.2160 11.7855 11.7855 12.1574 12.1574 k = 0.2292 0.3969-0.0000 ( 3374 PWs) bands (ev): -18.8133 -18.8133 -5.6324 -5.6324 -3.8556 -3.8556 -3.6285 -3.6285 -1.5643 -1.5643 -1.4331 -1.4331 -0.3107 -0.3107 -0.2538 -0.2538 -0.1519 -0.1519 0.1138 0.1138 0.3891 0.3891 0.4082 0.4082 0.4666 0.4666 0.5586 0.5586 0.8047 0.8047 1.1910 1.1910 4.5952 4.5952 4.6463 4.6463 5.8669 5.8669 6.4447 6.4447 6.9261 6.9261 7.6027 7.6027 10.7517 10.7517 11.1776 11.1776 11.7763 11.7763 12.2115 12.2115 k = 0.2222 0.3849-0.0000 ( 3378 PWs) bands (ev): -18.8144 -18.8144 -5.6289 -5.6289 -3.8521 -3.8521 -3.6239 -3.6239 -1.5652 -1.5652 -1.4397 -1.4397 -0.3114 -0.3114 -0.2558 -0.2558 -0.1542 -0.1542 0.1031 0.1031 0.3859 0.3859 0.4101 0.4101 0.4661 0.4661 0.5557 0.5557 0.7804 0.7804 1.1846 1.1846 4.6398 4.6398 4.7079 4.7079 5.9204 5.9204 6.4241 6.4241 6.9374 6.9374 7.6433 7.6433 10.7063 10.7063 11.1411 11.1411 11.7633 11.7633 12.2589 12.2589 k = 0.2153 0.3729-0.0000 ( 3378 PWs) bands (ev): -18.8156 -18.8156 -5.6252 -5.6252 -3.8484 -3.8484 -3.6192 -3.6192 -1.5667 -1.5667 -1.4464 -1.4464 -0.3123 -0.3123 -0.2578 -0.2578 -0.1573 -0.1573 0.0919 0.0919 0.3826 0.3826 0.4124 0.4124 0.4652 0.4652 0.5524 0.5524 0.7583 0.7583 1.1777 1.1777 4.6840 4.6840 4.7737 4.7737 5.9660 5.9660 6.4156 6.4156 6.9522 6.9522 7.6844 7.6844 10.6628 10.6628 11.1064 11.1064 11.7461 11.7461 12.2968 12.2968 k = 0.2083 0.3608-0.0000 ( 3382 PWs) bands (ev): -18.8168 -18.8168 -5.6213 -5.6213 -3.8444 -3.8444 -3.6143 -3.6143 -1.5691 -1.5691 -1.4530 -1.4530 -0.3132 -0.3132 -0.2599 -0.2599 -0.1614 -0.1614 0.0803 0.0803 0.3792 0.3792 0.4148 0.4148 0.4634 0.4634 0.5489 0.5489 0.7386 0.7386 1.1704 1.1704 4.7266 4.7266 4.8436 4.8436 6.0019 6.0019 6.4222 6.4222 6.9705 6.9705 7.7259 7.7259 10.6211 10.6211 11.0734 11.0734 11.7244 11.7244 12.3223 12.3223 k = 0.2014 0.3488-0.0000 ( 3386 PWs) bands (ev): -18.8181 -18.8181 -5.6171 -5.6171 -3.8403 -3.8403 -3.6090 -3.6090 -1.5728 -1.5728 -1.4590 -1.4590 -0.3143 -0.3143 -0.2619 -0.2619 -0.1664 -0.1664 0.0687 0.0687 0.3758 0.3758 0.4173 0.4173 0.4604 0.4604 0.5457 0.5457 0.7215 0.7215 1.1627 1.1627 4.7660 4.7660 4.9172 4.9172 6.0285 6.0285 6.4447 6.4447 6.9926 6.9926 7.7675 7.7675 10.5816 10.5816 11.0420 11.0420 11.6981 11.6981 12.3324 12.3324 k = 0.1944 0.3368-0.0000 ( 3386 PWs) bands (ev): -18.8195 -18.8195 -5.6128 -5.6128 -3.8360 -3.8360 -3.6035 -3.6035 -1.5784 -1.5784 -1.4639 -1.4639 -0.3156 -0.3156 -0.2640 -0.2640 -0.1724 -0.1724 0.0570 0.0570 0.3725 0.3725 0.4199 0.4199 0.4560 0.4560 0.5432 0.5432 0.7069 0.7069 1.1547 1.1547 4.8006 4.8006 4.9943 4.9943 6.0490 6.0490 6.4813 6.4813 7.0184 7.0184 7.8093 7.8093 10.5442 10.5442 11.0120 11.0120 11.6676 11.6676 12.3253 12.3253 k = 0.1875 0.3248-0.0000 ( 3384 PWs) bands (ev): -18.8208 -18.8208 -5.6084 -5.6084 -3.8317 -3.8317 -3.5976 -3.5976 -1.5862 -1.5862 -1.4674 -1.4674 -0.3171 -0.3171 -0.2660 -0.2660 -0.1795 -0.1795 0.0456 0.0456 0.3693 0.3693 0.4225 0.4225 0.4502 0.4502 0.5419 0.5419 0.6947 0.6947 1.1463 1.1463 4.8288 4.8288 5.0749 5.0749 6.0686 6.0686 6.5283 6.5283 7.0482 7.0482 7.8510 7.8510 10.5089 10.5089 10.9832 10.9832 11.6331 11.6331 12.3011 12.3011 k = 0.1806 0.3127-0.0000 ( 3376 PWs) bands (ev): -18.8223 -18.8223 -5.6039 -5.6039 -3.8274 -3.8274 -3.5911 -3.5911 -1.5965 -1.5965 -1.4692 -1.4692 -0.3187 -0.3187 -0.2681 -0.2681 -0.1875 -0.1875 0.0346 0.0346 0.3662 0.3662 0.4248 0.4248 0.4433 0.4433 0.5420 0.5420 0.6846 0.6846 1.1376 1.1376 4.8493 4.8493 5.1585 5.1585 6.0921 6.0921 6.5819 6.5819 7.0818 7.0818 7.8925 7.8925 10.4757 10.4757 10.9551 10.9551 11.5952 11.5952 12.2614 12.2614 k = 0.1736 0.3007-0.0000 ( 3376 PWs) bands (ev): -18.8237 -18.8237 -5.5993 -5.5993 -3.8231 -3.8231 -3.5842 -3.5842 -1.6093 -1.6093 -1.4694 -1.4694 -0.3205 -0.3205 -0.2702 -0.2702 -0.1964 -0.1964 0.0240 0.0240 0.3633 0.3633 0.4257 0.4257 0.4368 0.4368 0.5434 0.5434 0.6761 0.6761 1.1286 1.1286 4.8609 4.8609 5.2450 5.2450 6.1231 6.1231 6.6391 6.6391 7.1195 7.1195 7.9337 7.9337 10.4444 10.4444 10.9273 10.9273 11.5545 11.5545 12.2093 12.2093 k = 0.1667 0.2887-0.0000 ( 3384 PWs) bands (ev): -18.8252 -18.8252 -5.5947 -5.5947 -3.8189 -3.8189 -3.5767 -3.5767 -1.6244 -1.6244 -1.4681 -1.4681 -0.3225 -0.3225 -0.2723 -0.2723 -0.2061 -0.2061 0.0142 0.0142 0.3605 0.3605 0.4218 0.4218 0.4346 0.4346 0.5459 0.5459 0.6690 0.6690 1.1195 1.1195 4.8634 4.8634 5.3342 5.3342 6.1638 6.1638 6.6980 6.6980 7.1611 7.1611 7.9744 7.9744 10.4147 10.4147 10.8991 10.8991 11.5116 11.5116 12.1482 12.1482 k = 0.1597 0.2766-0.0000 ( 3380 PWs) bands (ev): -18.8267 -18.8267 -5.5900 -5.5900 -3.8149 -3.8149 -3.5685 -3.5685 -1.6416 -1.6416 -1.4656 -1.4656 -0.3246 -0.3246 -0.2744 -0.2744 -0.2164 -0.2164 0.0050 0.0050 0.3579 0.3579 0.4140 0.4140 0.4362 0.4362 0.5493 0.5493 0.6629 0.6629 1.1103 1.1103 4.8569 4.8569 5.4259 5.4259 6.2153 6.2153 6.7572 6.7572 7.2068 7.2068 8.0145 8.0145 10.3864 10.3864 10.8699 10.8699 11.4672 11.4672 12.0818 12.0818 k = 0.1528 0.2646-0.0000 ( 3380 PWs) bands (ev): -18.8282 -18.8282 -5.5854 -5.5854 -3.8111 -3.8111 -3.5596 -3.5596 -1.6605 -1.6605 -1.4622 -1.4622 -0.3269 -0.3269 -0.2766 -0.2766 -0.2271 -0.2271 -0.0035 -0.0035 0.3555 0.3555 0.4056 0.4056 0.4386 0.4386 0.5533 0.5533 0.6577 0.6577 1.1009 1.1009 4.8422 4.8422 5.5197 5.5197 6.2773 6.2773 6.8155 6.8155 7.2563 7.2563 8.0537 8.0537 10.3590 10.3590 10.8386 10.8386 11.4218 11.4218 12.0134 12.0134 k = 0.1458 0.2526-0.0000 ( 3376 PWs) bands (ev): -18.8297 -18.8297 -5.5809 -5.5809 -3.8075 -3.8075 -3.5501 -3.5501 -1.6809 -1.6809 -1.4581 -1.4581 -0.3294 -0.3294 -0.2791 -0.2791 -0.2378 -0.2378 -0.0112 -0.0112 0.3532 0.3532 0.3974 0.3974 0.4412 0.4412 0.5579 0.5579 0.6530 0.6530 1.0915 1.0915 4.8206 4.8206 5.6156 5.6156 6.3494 6.3494 6.8722 6.8722 7.3097 7.3097 8.0920 8.0920 10.3322 10.3322 10.8040 10.8040 11.3758 11.3758 11.9459 11.9459 k = 0.1389 0.2406-0.0000 ( 3378 PWs) bands (ev): -18.8312 -18.8312 -5.5764 -5.5764 -3.8042 -3.8042 -3.5398 -3.5398 -1.7025 -1.7025 -1.4535 -1.4535 -0.3321 -0.3321 -0.2819 -0.2819 -0.2481 -0.2481 -0.0182 -0.0182 0.3511 0.3511 0.3898 0.3898 0.4439 0.4439 0.5628 0.5628 0.6489 0.6489 1.0821 1.0821 4.7934 4.7934 5.7132 5.7132 6.4304 6.4304 6.9268 6.9268 7.3669 7.3669 8.1291 8.1291 10.3052 10.3052 10.7648 10.7648 11.3298 11.3298 11.8820 11.8820 k = 0.1319 0.2285-0.0000 ( 3378 PWs) bands (ev): -18.8327 -18.8327 -5.5720 -5.5720 -3.8011 -3.8011 -3.5288 -3.5288 -1.7251 -1.7251 -1.4485 -1.4485 -0.3348 -0.3348 -0.2855 -0.2855 -0.2575 -0.2575 -0.0246 -0.0246 0.3491 0.3491 0.3830 0.3830 0.4466 0.4466 0.5679 0.5679 0.6451 0.6451 1.0728 1.0728 4.7617 4.7617 5.8124 5.8124 6.5195 6.5195 6.9789 6.9789 7.4276 7.4276 8.1650 8.1650 10.2775 10.2775 10.7198 10.7198 11.2839 11.2839 11.8241 11.8241 k = 0.1250 0.2165-0.0000 ( 3364 PWs) bands (ev): -18.8342 -18.8342 -5.5678 -5.5678 -3.7983 -3.7983 -3.5172 -3.5172 -1.7484 -1.7484 -1.4433 -1.4433 -0.3377 -0.3377 -0.2904 -0.2904 -0.2653 -0.2653 -0.0303 -0.0303 0.3471 0.3471 0.3771 0.3771 0.4492 0.4492 0.5730 0.5730 0.6416 0.6416 1.0637 1.0637 4.7269 4.7269 5.9129 5.9129 6.6155 6.6155 7.0281 7.0281 7.4918 7.4918 8.1994 8.1994 10.2486 10.2486 10.6678 10.6678 11.2384 11.2384 11.7743 11.7743 k = 0.1181 0.2045-0.0000 ( 3364 PWs) bands (ev): -18.8356 -18.8356 -5.5638 -5.5638 -3.7958 -3.7958 -3.5049 -3.5049 -1.7723 -1.7723 -1.4381 -1.4381 -0.3407 -0.3407 -0.2970 -0.2970 -0.2710 -0.2710 -0.0355 -0.0355 0.3451 0.3451 0.3722 0.3722 0.4518 0.4518 0.5781 0.5781 0.6385 0.6385 1.0547 1.0547 4.6900 4.6900 6.0144 6.0144 6.7175 6.7175 7.0743 7.0743 7.5590 7.5590 8.2323 8.2323 10.2178 10.2178 10.6080 10.6080 11.1933 11.1933 11.7340 11.7340 k = 0.1111 0.1925-0.0000 ( 3362 PWs) bands (ev): -18.8370 -18.8370 -5.5599 -5.5599 -3.7936 -3.7936 -3.4921 -3.4921 -1.7965 -1.7965 -1.4328 -1.4328 -0.3438 -0.3438 -0.3048 -0.3048 -0.2749 -0.2749 -0.0402 -0.0402 0.3429 0.3429 0.3683 0.3683 0.4545 0.4545 0.5828 0.5828 0.6357 0.6357 1.0460 1.0460 4.6518 4.6518 6.1167 6.1167 6.8246 6.8246 7.1172 7.1172 7.6289 7.6289 8.2634 8.2634 10.1847 10.1847 10.5404 10.5404 11.1485 11.1485 11.7038 11.7038 k = 0.1042 0.1804-0.0000 ( 3364 PWs) bands (ev): -18.8384 -18.8384 -5.5563 -5.5563 -3.7916 -3.7916 -3.4789 -3.4789 -1.8209 -1.8209 -1.4275 -1.4275 -0.3469 -0.3469 -0.3131 -0.3131 -0.2775 -0.2775 -0.0443 -0.0443 0.3406 0.3406 0.3656 0.3656 0.4570 0.4570 0.5869 0.5869 0.6334 0.6334 1.0375 1.0375 4.6132 4.6132 6.2196 6.2196 6.9360 6.9360 7.1569 7.1569 7.7013 7.7013 8.2927 8.2927 10.1488 10.1488 10.4653 10.4653 11.1037 11.1037 11.6839 11.6839 k = 0.0972 0.1684-0.0000 ( 3362 PWs) bands (ev): -18.8397 -18.8397 -5.5529 -5.5529 -3.7899 -3.7899 -3.4654 -3.4654 -1.8451 -1.8451 -1.4225 -1.4225 -0.3500 -0.3500 -0.3215 -0.3215 -0.2795 -0.2795 -0.0481 -0.0481 0.3379 0.3379 0.3639 0.3639 0.4596 0.4596 0.5903 0.5903 0.6318 0.6318 1.0295 1.0295 4.5748 4.5748 6.3228 6.3228 7.0508 7.0508 7.1936 7.1936 7.7754 7.7754 8.3201 8.3201 10.1098 10.1098 10.3837 10.3837 11.0590 11.0590 11.6735 11.6735 k = 0.0903 0.1564-0.0000 ( 3354 PWs) bands (ev): -18.8410 -18.8410 -5.5496 -5.5496 -3.7884 -3.7884 -3.4516 -3.4516 -1.8690 -1.8690 -1.4176 -1.4176 -0.3531 -0.3531 -0.3294 -0.3294 -0.2811 -0.2811 -0.0514 -0.0514 0.3352 0.3352 0.3630 0.3630 0.4622 0.4622 0.5924 0.5924 0.6312 0.6312 1.0218 1.0218 4.5371 4.5371 6.4260 6.4260 7.1664 7.1664 7.2294 7.2294 7.8508 7.8508 8.3454 8.3454 10.0676 10.0676 10.2970 10.2970 11.0139 11.0139 11.6713 11.6713 k = 0.0833 0.1443-0.0000 ( 3354 PWs) bands (ev): -18.8422 -18.8422 -5.5467 -5.5467 -3.7871 -3.7871 -3.4379 -3.4379 -1.8924 -1.8924 -1.4129 -1.4129 -0.3562 -0.3562 -0.3369 -0.3369 -0.2824 -0.2824 -0.0544 -0.0544 0.3325 0.3325 0.3630 0.3630 0.4647 0.4647 0.5932 0.5932 0.6316 0.6316 1.0145 1.0145 4.5007 4.5007 6.5287 6.5287 7.2467 7.2467 7.2998 7.2998 7.9266 7.9266 8.3686 8.3686 10.0219 10.0219 10.2069 10.2069 10.9684 10.9684 11.6754 11.6754 k = 0.0764 0.1323-0.0000 ( 3363 PWs) bands (ev): -18.8433 -18.8433 -5.5439 -5.5439 -3.7860 -3.7860 -3.4242 -3.4242 -1.9151 -1.9151 -1.4085 -1.4085 -0.3592 -0.3592 -0.3438 -0.3438 -0.2835 -0.2835 -0.0570 -0.0570 0.3298 0.3298 0.3634 0.3634 0.4673 0.4673 0.5926 0.5926 0.6331 0.6331 1.0077 1.0077 4.4659 4.4659 6.6306 6.6306 7.2772 7.2772 7.4187 7.4187 8.0020 8.0020 8.3896 8.3896 9.9725 9.9725 10.1151 10.1151 10.9224 10.9224 11.6832 11.6832 k = 0.0694 0.1203-0.0000 ( 3369 PWs) bands (ev): -18.8444 -18.8444 -5.5415 -5.5415 -3.7850 -3.7850 -3.4108 -3.4108 -1.9368 -1.9368 -1.4045 -1.4045 -0.3620 -0.3620 -0.3500 -0.3500 -0.2844 -0.2844 -0.0593 -0.0593 0.3273 0.3273 0.3643 0.3643 0.4699 0.4699 0.5908 0.5908 0.6354 0.6354 1.0015 1.0015 4.4330 4.4330 6.7312 6.7312 7.3011 7.3011 7.5425 7.5425 8.0757 8.0757 8.4083 8.4083 9.9193 9.9193 10.0233 10.0233 10.8761 10.8761 11.6902 11.6903 k = 0.0625 0.1083-0.0000 ( 3367 PWs) bands (ev): -18.8454 -18.8454 -5.5392 -5.5392 -3.7842 -3.7842 -3.3979 -3.3979 -1.9572 -1.9572 -1.4007 -1.4007 -0.3647 -0.3647 -0.3555 -0.3555 -0.2852 -0.2852 -0.0612 -0.0612 0.3249 0.3249 0.3655 0.3655 0.4725 0.4725 0.5882 0.5882 0.6381 0.6381 0.9958 0.9958 4.4025 4.4025 6.8297 6.8297 7.3217 7.3217 7.6676 7.6676 8.1465 8.1465 8.4250 8.4250 9.8621 9.8621 9.9335 9.9335 10.8296 10.8296 11.6882 11.6882 k = 0.0556 0.0962-0.0000 ( 3363 PWs) bands (ev): -18.8462 -18.8462 -5.5372 -5.5372 -3.7836 -3.7836 -3.3856 -3.3856 -1.9763 -1.9763 -1.3973 -1.3973 -0.3673 -0.3673 -0.3604 -0.3604 -0.2859 -0.2859 -0.0630 -0.0630 0.3228 0.3228 0.3668 0.3668 0.4750 0.4750 0.5851 0.5851 0.6409 0.6409 0.9907 0.9907 4.3745 4.3745 6.9255 6.9255 7.3393 7.3393 7.7927 7.7927 8.2128 8.2128 8.4396 8.4396 9.8006 9.8006 9.8476 9.8476 10.7836 10.7836 11.6574 11.6574 k = 0.0486 0.0842-0.0000 ( 3367 PWs) bands (ev): -18.8470 -18.8470 -5.5355 -5.5355 -3.7830 -3.7830 -3.3742 -3.3742 -1.9938 -1.9938 -1.3943 -1.3943 -0.3696 -0.3696 -0.3647 -0.3647 -0.2865 -0.2865 -0.0644 -0.0644 0.3209 0.3209 0.3682 0.3682 0.4776 0.4776 0.5817 0.5817 0.6438 0.6438 0.9861 0.9861 4.3493 4.3493 7.0174 7.0174 7.3544 7.3544 7.9167 7.9167 8.2726 8.2726 8.4527 8.4527 9.7350 9.7350 9.7676 9.7676 10.7389 10.7389 11.5966 11.5966 k = 0.0417 0.0722-0.0000 ( 3373 PWs) bands (ev): -18.8477 -18.8477 -5.5340 -5.5340 -3.7826 -3.7826 -3.3639 -3.3639 -2.0095 -2.0095 -1.3917 -1.3917 -0.3717 -0.3717 -0.3683 -0.3683 -0.2870 -0.2870 -0.0656 -0.0656 0.3192 0.3192 0.3697 0.3697 0.4801 0.4801 0.5781 0.5781 0.6464 0.6464 0.9821 0.9821 4.3270 4.3270 7.1041 7.1041 7.3670 7.3670 8.0383 8.0383 8.3234 8.3234 8.4651 8.4651 9.6655 9.6655 9.6953 9.6953 10.6967 10.6967 11.5334 11.5334 k = 0.0347 0.0601-0.0000 ( 3381 PWs) bands (ev): -18.8483 -18.8483 -5.5327 -5.5327 -3.7822 -3.7822 -3.3547 -3.3547 -2.0231 -2.0231 -1.3894 -1.3894 -0.3736 -0.3736 -0.3713 -0.3713 -0.2875 -0.2875 -0.0666 -0.0666 0.3178 0.3178 0.3710 0.3710 0.4825 0.4825 0.5747 0.5747 0.6487 0.6487 0.9788 0.9788 4.3079 4.3079 7.1840 7.1840 7.3775 7.3775 8.1553 8.1553 8.3627 8.3627 8.4785 8.4785 9.5933 9.5933 9.6324 9.6324 10.6581 10.6581 11.4765 11.4765 k = 0.0278 0.0481-0.0000 ( 3393 PWs) bands (ev): -18.8488 -18.8488 -5.5317 -5.5317 -3.7819 -3.7819 -3.3470 -3.3470 -2.0345 -2.0345 -1.3876 -1.3876 -0.3751 -0.3751 -0.3736 -0.3736 -0.2878 -0.2878 -0.0674 -0.0674 0.3166 0.3166 0.3722 0.3722 0.4847 0.4847 0.5716 0.5716 0.6507 0.6507 0.9761 0.9761 4.2921 4.2921 7.2548 7.2548 7.3860 7.3860 8.2642 8.2642 8.3894 8.3894 8.4940 8.4940 9.5202 9.5202 9.5807 9.5807 10.6246 10.6246 11.4279 11.4279 k = 0.0208 0.0361-0.0000 ( 3405 PWs) bands (ev): -18.8492 -18.8492 -5.5309 -5.5309 -3.7817 -3.7817 -3.3408 -3.3408 -2.0436 -2.0436 -1.3861 -1.3861 -0.3764 -0.3764 -0.3755 -0.3755 -0.2881 -0.2881 -0.0680 -0.0680 0.3157 0.3157 0.3732 0.3732 0.4866 0.4866 0.5688 0.5688 0.6523 0.6523 0.9739 0.9739 4.2797 4.2797 7.3138 7.3138 7.3930 7.3930 8.3554 8.3554 8.4103 8.4103 8.5107 8.5107 9.4496 9.4496 9.5408 9.5408 10.5972 10.5972 11.3882 11.3882 k = 0.0139 0.0241-0.0000 ( 3403 PWs) bands (ev): -18.8495 -18.8495 -5.5303 -5.5303 -3.7816 -3.7816 -3.3362 -3.3362 -2.0501 -2.0501 -1.3851 -1.3851 -0.3773 -0.3773 -0.3768 -0.3768 -0.2883 -0.2883 -0.0685 -0.0685 0.3151 0.3151 0.3740 0.3740 0.4881 0.4881 0.5667 0.5667 0.6534 0.6534 0.9724 0.9724 4.2707 4.2707 7.3575 7.3575 7.3993 7.3993 8.3929 8.3929 8.4580 8.4580 8.5268 8.5268 9.3878 9.3878 9.5131 9.5131 10.5770 10.5770 11.3585 11.3585 k = 0.0069 0.0120-0.0000 ( 3399 PWs) bands (ev): -18.8497 -18.8497 -5.5300 -5.5300 -3.7815 -3.7815 -3.3335 -3.3335 -2.0541 -2.0541 -1.3845 -1.3845 -0.3779 -0.3779 -0.3775 -0.3775 -0.2884 -0.2884 -0.0687 -0.0687 0.3147 0.3147 0.3745 0.3745 0.4891 0.4891 0.5654 0.5654 0.6541 0.6541 0.9715 0.9715 4.2654 4.2654 7.3815 7.3815 7.4066 7.4066 8.3983 8.3983 8.5023 8.5023 8.5436 8.5436 9.3437 9.3437 9.4968 9.4968 10.5646 10.5646 11.3400 11.3400 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.8497 -18.8497 -5.5298 -5.5298 -3.7814 -3.7814 -3.3326 -3.3326 -2.0554 -2.0554 -1.3843 -1.3843 -0.3780 -0.3780 -0.3778 -0.3778 -0.2884 -0.2884 -0.0688 -0.0688 0.3146 0.3146 0.3746 0.3746 0.4894 0.4894 0.5649 0.5649 0.6544 0.6544 0.9712 0.9712 4.2636 4.2636 7.3876 7.3876 7.4112 7.4112 8.3991 8.3991 8.5146 8.5146 8.5541 8.5541 9.3274 9.3274 9.4915 9.4915 10.5604 10.5604 11.3337 11.3337 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.8497 -18.8497 -5.5298 -5.5298 -3.7814 -3.7814 -3.3326 -3.3326 -2.0554 -2.0554 -1.3843 -1.3843 -0.3780 -0.3780 -0.3778 -0.3778 -0.2884 -0.2884 -0.0688 -0.0688 0.3146 0.3146 0.3746 0.3746 0.4894 0.4894 0.5649 0.5649 0.6544 0.6544 0.9712 0.9712 4.2636 4.2636 7.3876 7.3876 7.4112 7.4112 8.3991 8.3991 8.5146 8.5146 8.5541 8.5541 9.3274 9.3274 9.4915 9.4915 10.5604 10.5604 11.3337 11.3337 k = 0.0000 0.0000 0.0139 ( 3394 PWs) bands (ev): -18.8497 -18.8497 -5.5299 -5.5299 -3.7817 -3.7817 -3.3326 -3.3326 -2.0542 -2.0542 -1.3844 -1.3844 -0.3785 -0.3785 -0.3773 -0.3773 -0.2884 -0.2884 -0.0690 -0.0690 0.3146 0.3146 0.3746 0.3746 0.4889 0.4889 0.5650 0.5650 0.6543 0.6543 0.9694 0.9694 4.2671 4.2671 7.3887 7.3887 7.4124 7.4124 8.3854 8.3854 8.5109 8.5109 8.5516 8.5516 9.3390 9.3390 9.4942 9.4942 10.5631 10.5631 11.3354 11.3354 k = 0.0000 0.0000 0.0277 ( 3382 PWs) bands (ev): -18.8497 -18.8497 -5.5300 -5.5300 -3.7825 -3.7825 -3.3326 -3.3326 -2.0504 -2.0504 -1.3847 -1.3847 -0.3791 -0.3791 -0.3766 -0.3766 -0.2883 -0.2883 -0.0696 -0.0696 0.3148 0.3148 0.3747 0.3747 0.4876 0.4876 0.5652 0.5652 0.6541 0.6541 0.9638 0.9638 4.2777 4.2777 7.3920 7.3920 7.4158 7.4158 8.3459 8.3459 8.5009 8.5009 8.5441 8.5441 9.3682 9.3682 9.5054 9.5054 10.5712 10.5712 11.3405 11.3405 k = 0.0000 0.0000 0.0416 ( 3388 PWs) bands (ev): -18.8497 -18.8497 -5.5302 -5.5302 -3.7838 -3.7838 -3.3326 -3.3326 -2.0441 -2.0441 -1.3851 -1.3851 -0.3796 -0.3796 -0.3760 -0.3760 -0.2881 -0.2881 -0.0707 -0.0707 0.3150 0.3150 0.3749 0.3749 0.4854 0.4854 0.5655 0.5655 0.6538 0.6538 0.9548 0.9548 4.2952 4.2952 7.3975 7.3975 7.4214 7.4214 8.2851 8.2851 8.4866 8.4866 8.5319 8.5319 9.3982 9.3982 9.5354 9.5354 10.5849 10.5849 11.3484 11.3484 k = 0.0000 0.0000 0.0555 ( 3388 PWs) bands (ev): -18.8497 -18.8497 -5.5305 -5.5305 -3.7856 -3.7856 -3.3326 -3.3326 -2.0354 -2.0354 -1.3858 -1.3858 -0.3802 -0.3802 -0.3753 -0.3753 -0.2878 -0.2878 -0.0722 -0.0722 0.3153 0.3153 0.3751 0.3751 0.4822 0.4822 0.5659 0.5659 0.6535 0.6535 0.9427 0.9427 4.3193 4.3193 7.4052 7.4052 7.4293 7.4293 8.2094 8.2094 8.4685 8.4685 8.5150 8.5150 9.4140 9.4140 9.5923 9.5923 10.6043 10.6043 11.3584 11.3584 k = 0.0000 0.0000 0.0693 ( 3394 PWs) bands (ev): -18.8497 -18.8497 -5.5309 -5.5309 -3.7878 -3.7878 -3.3326 -3.3326 -2.0246 -2.0246 -1.3867 -1.3867 -0.3807 -0.3807 -0.3746 -0.3746 -0.2875 -0.2875 -0.0741 -0.0741 0.3157 0.3157 0.3754 0.3754 0.4782 0.4782 0.5664 0.5664 0.6530 0.6530 0.9278 0.9278 4.3495 4.3495 7.4152 7.4152 7.4394 7.4394 8.1241 8.1241 8.4466 8.4466 8.4939 8.4939 9.4175 9.4175 9.6687 9.6687 10.6300 10.6300 11.3697 11.3697 k = 0.0000 0.0000 0.0832 ( 3388 PWs) bands (ev): -18.8497 -18.8497 -5.5314 -5.5314 -3.7903 -3.7903 -3.3327 -3.3327 -2.0117 -2.0117 -1.3878 -1.3878 -0.3812 -0.3812 -0.3739 -0.3739 -0.2871 -0.2871 -0.0764 -0.0764 0.3162 0.3162 0.3758 0.3758 0.4733 0.4733 0.5670 0.5670 0.6524 0.6524 0.9107 0.9107 4.3852 4.3852 7.4272 7.4272 7.4517 7.4517 8.0331 8.0331 8.4213 8.4213 8.4688 8.4688 9.4147 9.4147 9.7542 9.7542 10.6624 10.6624 11.3811 11.3811 k = 0.0000 0.0000 0.0971 ( 3388 PWs) bands (ev): -18.8497 -18.8497 -5.5319 -5.5319 -3.7932 -3.7932 -3.3327 -3.3327 -1.9970 -1.9970 -1.3891 -1.3891 -0.3816 -0.3816 -0.3732 -0.3732 -0.2867 -0.2867 -0.0791 -0.0791 0.3168 0.3168 0.3762 0.3762 0.4675 0.4675 0.5676 0.5676 0.6517 0.6517 0.8920 0.8920 4.4260 4.4260 7.4414 7.4414 7.4662 7.4662 7.9390 7.9390 8.3926 8.3926 8.4402 8.4402 9.4088 9.4088 9.8424 9.8424 10.7022 10.7022 11.3916 11.3916 k = 0.0000 0.0000 0.1110 ( 3388 PWs) bands (ev): -18.8497 -18.8497 -5.5324 -5.5324 -3.7963 -3.7963 -3.3327 -3.3327 -1.9807 -1.9807 -1.3906 -1.3906 -0.3820 -0.3820 -0.3725 -0.3725 -0.2862 -0.2862 -0.0823 -0.0823 0.3174 0.3174 0.3766 0.3766 0.4607 0.4607 0.5683 0.5683 0.6510 0.6510 0.8723 0.8723 4.4710 4.4710 7.4577 7.4577 7.4828 7.4828 7.8437 7.8437 8.3610 8.3610 8.4085 8.4085 9.4012 9.4012 9.9293 9.9293 10.7506 10.7506 11.4003 11.4003 k = 0.0000 0.0000 0.1248 ( 3382 PWs) bands (ev): -18.8497 -18.8497 -5.5330 -5.5330 -3.7995 -3.7995 -3.3328 -3.3328 -1.9631 -1.9631 -1.3924 -1.3924 -0.3824 -0.3824 -0.3718 -0.3718 -0.2857 -0.2857 -0.0858 -0.0858 0.3180 0.3180 0.3770 0.3770 0.4532 0.4532 0.5691 0.5691 0.6502 0.6502 0.8521 0.8521 4.5195 4.5195 7.4761 7.4761 7.5015 7.5015 7.7487 7.7487 8.3269 8.3269 8.3742 8.3742 9.3925 9.3925 10.0116 10.0116 10.8082 10.8082 11.4067 11.4067 k = 0.0000 0.0000 0.1387 ( 3376 PWs) bands (ev): -18.8497 -18.8497 -5.5336 -5.5336 -3.8028 -3.8028 -3.3328 -3.3328 -1.9446 -1.9446 -1.3944 -1.3944 -0.3828 -0.3828 -0.3712 -0.3712 -0.2851 -0.2851 -0.0898 -0.0898 0.3187 0.3187 0.3775 0.3775 0.4448 0.4448 0.5698 0.5698 0.6494 0.6494 0.8321 0.8321 4.5707 4.5707 7.4965 7.4965 7.5222 7.5222 7.6552 7.6552 8.2906 8.2906 8.3375 8.3375 9.3834 9.3834 10.0873 10.0873 10.8760 10.8760 11.4104 11.4104 k = 0.0000 0.0000 0.1526 ( 3376 PWs) bands (ev): -18.8497 -18.8497 -5.5342 -5.5342 -3.8061 -3.8061 -3.3329 -3.3329 -1.9254 -1.9254 -1.3966 -1.3966 -0.3831 -0.3831 -0.3705 -0.3705 -0.2845 -0.2845 -0.0940 -0.0940 0.3195 0.3195 0.3780 0.3780 0.4359 0.4359 0.5706 0.5706 0.6486 0.6486 0.8127 0.8127 4.6237 4.6237 7.5189 7.5189 7.5450 7.5450 7.5641 7.5641 8.2525 8.2525 8.2991 8.2991 9.3742 9.3742 10.1547 10.1547 10.9539 10.9539 11.4116 11.4116 k = 0.0000 0.0000 0.1664 ( 3376 PWs) bands (ev): -18.8497 -18.8497 -5.5348 -5.5348 -3.8094 -3.8094 -3.3329 -3.3329 -1.9061 -1.9061 -1.3990 -1.3990 -0.3835 -0.3835 -0.3699 -0.3699 -0.2839 -0.2839 -0.0985 -0.0985 0.3202 0.3202 0.3784 0.3784 0.4264 0.4264 0.5714 0.5714 0.6478 0.6478 0.7945 0.7945 4.6774 4.6774 7.4763 7.4763 7.5433 7.5433 7.5697 7.5697 8.2130 8.2130 8.2592 8.2592 9.3651 9.3651 10.2132 10.2132 11.0414 11.0414 11.4106 11.4106 k = 0.0000 0.0000 0.1803 ( 3364 PWs) bands (ev): -18.8497 -18.8497 -5.5354 -5.5354 -3.8125 -3.8125 -3.3329 -3.3329 -1.8870 -1.8870 -1.4015 -1.4015 -0.3838 -0.3838 -0.3693 -0.3693 -0.2833 -0.2833 -0.1032 -0.1032 0.3210 0.3210 0.3789 0.3789 0.4166 0.4166 0.5721 0.5721 0.6470 0.6470 0.7778 0.7778 4.7309 4.7309 7.3930 7.3930 7.5695 7.5695 7.5962 7.5962 8.1724 8.1724 8.2183 8.2183 9.3565 9.3565 10.2630 10.2630 11.1371 11.1371 11.4081 11.4081 k = 0.0000 0.0000 0.1942 ( 3382 PWs) bands (ev): -18.8497 -18.8497 -5.5359 -5.5359 -3.8154 -3.8154 -3.3330 -3.3330 -1.8685 -1.8685 -1.4042 -1.4042 -0.3840 -0.3840 -0.3688 -0.3688 -0.2828 -0.2828 -0.1079 -0.1079 0.3217 0.3217 0.3793 0.3793 0.4069 0.4069 0.5728 0.5728 0.6463 0.6463 0.7628 0.7628 4.7829 4.7829 7.3151 7.3151 7.5974 7.5974 7.6244 7.6244 8.1311 8.1311 8.1767 8.1767 9.3484 9.3484 10.3046 10.3046 11.2387 11.2387 11.4048 11.4048 k = 0.0000 0.0000 0.2080 ( 3382 PWs) bands (ev): -18.8497 -18.8497 -5.5364 -5.5364 -3.8180 -3.8180 -3.3330 -3.3330 -1.8511 -1.8511 -1.4069 -1.4069 -0.3842 -0.3842 -0.3683 -0.3683 -0.2822 -0.2822 -0.1126 -0.1126 0.3225 0.3225 0.3797 0.3797 0.3976 0.3976 0.5735 0.5735 0.6456 0.6456 0.7497 0.7497 4.8321 4.8321 7.2437 7.2437 7.6271 7.6271 7.6542 7.6542 8.0894 8.0894 8.1348 8.1348 9.3411 9.3411 10.3389 10.3389 11.3412 11.3412 11.4041 11.4041 k = 0.0000 0.0000 0.2219 ( 3394 PWs) bands (ev): -18.8497 -18.8497 -5.5369 -5.5369 -3.8203 -3.8203 -3.3330 -3.3330 -1.8353 -1.8353 -1.4095 -1.4095 -0.3844 -0.3844 -0.3679 -0.3679 -0.2817 -0.2817 -0.1169 -0.1169 0.3232 0.3232 0.3801 0.3801 0.3889 0.3889 0.5741 0.5741 0.6450 0.6450 0.7386 0.7386 4.8773 4.8773 7.1801 7.1801 7.6584 7.6584 7.6855 7.6855 8.0477 8.0477 8.0930 8.0930 9.3347 9.3347 10.3666 10.3666 11.3881 11.3881 11.4320 11.4320 k = 0.0000 0.0000 0.2358 ( 3394 PWs) bands (ev): -18.8497 -18.8497 -5.5372 -5.5372 -3.8223 -3.8223 -3.3331 -3.3331 -1.8215 -1.8215 -1.4119 -1.4119 -0.3846 -0.3846 -0.3676 -0.3676 -0.2813 -0.2813 -0.1209 -0.1209 0.3239 0.3239 0.3804 0.3804 0.3811 0.3811 0.5747 0.5747 0.6445 0.6445 0.7296 0.7296 4.9169 4.9169 7.1256 7.1256 7.6911 7.6911 7.7178 7.7178 8.0062 8.0062 8.0518 8.0518 9.3293 9.3293 10.3885 10.3885 11.3868 11.3868 11.4255 11.4255 k = 0.0000 0.0000 0.2496 ( 3394 PWs) bands (ev): -18.8497 -18.8497 -5.5376 -5.5376 -3.8238 -3.8238 -3.3331 -3.3331 -1.8102 -1.8102 -1.4141 -1.4141 -0.3847 -0.3847 -0.3673 -0.3673 -0.2809 -0.2809 -0.1242 -0.1242 0.3245 0.3245 0.3747 0.3747 0.3806 0.3806 0.5752 0.5752 0.6441 0.6441 0.7226 0.7226 4.9496 4.9496 7.0814 7.0814 7.7250 7.7250 7.7507 7.7507 7.9653 7.9653 8.0119 8.0119 9.3251 9.3251 10.4051 10.4051 11.3837 11.3837 11.4202 11.4202 k = 0.0000 0.0000 0.2635 ( 3406 PWs) bands (ev): -18.8497 -18.8497 -5.5378 -5.5378 -3.8250 -3.8250 -3.3331 -3.3331 -1.8018 -1.8018 -1.4157 -1.4157 -0.3848 -0.3848 -0.3671 -0.3671 -0.2807 -0.2807 -0.1267 -0.1267 0.3251 0.3251 0.3699 0.3699 0.3808 0.3808 0.5755 0.5755 0.6438 0.6438 0.7177 0.7177 4.9741 4.9741 7.0488 7.0488 7.7595 7.7595 7.7828 7.7828 7.9257 7.9257 7.9747 7.9747 9.3219 9.3219 10.4166 10.4166 11.3811 11.3811 11.4162 11.4162 k = 0.0000 0.0000 0.2774 ( 3406 PWs) bands (ev): -18.8497 -18.8497 -5.5379 -5.5379 -3.8257 -3.8257 -3.3331 -3.3331 -1.7967 -1.7967 -1.4168 -1.4168 -0.3849 -0.3849 -0.3670 -0.3670 -0.2805 -0.2805 -0.1282 -0.1282 0.3254 0.3254 0.3669 0.3669 0.3809 0.3809 0.5757 0.5757 0.6436 0.6436 0.7147 0.7147 4.9893 4.9893 7.0288 7.0288 7.7927 7.7927 7.8106 7.8106 7.8895 7.8895 7.9439 7.9439 9.3201 9.3201 10.4235 10.4235 11.3794 11.3794 11.4138 11.4138 k = 0.0000 0.0000 0.2913 ( 3400 PWs) bands (ev): -18.8497 -18.8497 -5.5380 -5.5380 -3.8259 -3.8259 -3.3331 -3.3331 -1.7949 -1.7949 -1.4171 -1.4171 -0.3849 -0.3849 -0.3669 -0.3669 -0.2804 -0.2804 -0.1287 -0.1287 0.3255 0.3255 0.3659 0.3659 0.3809 0.3809 0.5758 0.5758 0.6435 0.6435 0.7137 0.7137 4.9944 4.9944 7.0220 7.0220 7.8121 7.8121 7.8233 7.8233 7.8691 7.8691 7.9301 7.9301 9.3194 9.3194 10.4257 10.4257 11.3788 11.3788 11.4130 11.4130 k = 0.0000 0.0000 0.2913 ( 3400 PWs) bands (ev): -18.8497 -18.8497 -5.5380 -5.5380 -3.8259 -3.8259 -3.3331 -3.3331 -1.7949 -1.7949 -1.4171 -1.4171 -0.3849 -0.3849 -0.3669 -0.3669 -0.2804 -0.2804 -0.1287 -0.1287 0.3255 0.3255 0.3659 0.3659 0.3809 0.3809 0.5758 0.5758 0.6435 0.6435 0.7137 0.7137 4.9944 4.9944 7.0220 7.0220 7.8121 7.8121 7.8233 7.8233 7.8691 7.8691 7.9301 7.9301 9.3194 9.3194 10.4257 10.4257 11.3788 11.3788 11.4130 11.4130 k = 0.0119 0.0069 0.2913 ( 3404 PWs) bands (ev): -18.8496 -18.8496 -5.5380 -5.5380 -3.8258 -3.8258 -3.3339 -3.3339 -1.7942 -1.7942 -1.4174 -1.4174 -0.3844 -0.3844 -0.3668 -0.3668 -0.2805 -0.2805 -0.1284 -0.1284 0.3256 0.3256 0.3641 0.3641 0.3831 0.3831 0.5760 0.5760 0.6434 0.6434 0.7141 0.7141 4.9938 4.9938 7.0226 7.0226 7.8060 7.8060 7.8112 7.8112 7.8713 7.8713 7.9254 7.9254 9.3339 9.3339 10.4255 10.4255 11.3825 11.3825 11.4159 11.4159 k = 0.0238 0.0137 0.2913 ( 3396 PWs) bands (ev): -18.8495 -18.8495 -5.5383 -5.5383 -3.8257 -3.8257 -3.3364 -3.3364 -1.7920 -1.7920 -1.4181 -1.4181 -0.3831 -0.3831 -0.3665 -0.3665 -0.2808 -0.2808 -0.1274 -0.1274 0.3259 0.3259 0.3604 0.3604 0.3877 0.3877 0.5768 0.5768 0.6430 0.6430 0.7153 0.7153 4.9919 4.9919 7.0241 7.0241 7.7727 7.7727 7.7943 7.7943 7.8669 7.8669 7.9200 7.9200 9.3753 9.3753 10.4252 10.4252 11.3930 11.3930 11.4243 11.4243 k = 0.0357 0.0206 0.2913 ( 3384 PWs) bands (ev): -18.8492 -18.8492 -5.5388 -5.5388 -3.8255 -3.8255 -3.3404 -3.3404 -1.7883 -1.7883 -1.4192 -1.4192 -0.3809 -0.3809 -0.3660 -0.3660 -0.2813 -0.2813 -0.1257 -0.1257 0.3263 0.3263 0.3563 0.3563 0.3934 0.3934 0.5781 0.5781 0.6423 0.6423 0.7174 0.7174 4.9888 4.9888 7.0261 7.0261 7.7151 7.7151 7.7723 7.7723 7.8493 7.8493 7.9230 7.9230 9.4384 9.4384 10.4257 10.4257 11.4080 11.4080 11.4385 11.4385 k = 0.0476 0.0275 0.2913 ( 3384 PWs) bands (ev): -18.8488 -18.8488 -5.5394 -5.5394 -3.8251 -3.8251 -3.3459 -3.3459 -1.7833 -1.7833 -1.4209 -1.4209 -0.3778 -0.3778 -0.3652 -0.3652 -0.2820 -0.2820 -0.1234 -0.1234 0.3270 0.3270 0.3525 0.3525 0.3993 0.3993 0.5800 0.5800 0.6413 0.6413 0.7204 0.7204 4.9844 4.9844 7.0277 7.0277 7.6387 7.6387 7.7444 7.7444 7.8255 7.8255 7.9299 7.9299 9.5171 9.5171 10.4286 10.4286 11.4225 11.4225 11.4605 11.4605 k = 0.0595 0.0344 0.2913 ( 3388 PWs) bands (ev): -18.8483 -18.8483 -5.5402 -5.5402 -3.8247 -3.8247 -3.3529 -3.3529 -1.7771 -1.7771 -1.4230 -1.4230 -0.3739 -0.3739 -0.3642 -0.3642 -0.2827 -0.2827 -0.1206 -0.1206 0.3277 0.3277 0.3491 0.3491 0.4053 0.4053 0.5824 0.5824 0.6401 0.6401 0.7243 0.7243 4.9788 4.9788 7.0271 7.0271 7.5503 7.5503 7.7117 7.7117 7.7981 7.7981 7.9370 7.9370 9.6049 9.6049 10.4358 10.4358 11.4307 11.4307 11.4918 11.4918 k = 0.0714 0.0412 0.2913 ( 3382 PWs) bands (ev): -18.8478 -18.8478 -5.5412 -5.5412 -3.8242 -3.8242 -3.3611 -3.3611 -1.7696 -1.7696 -1.4255 -1.4255 -0.3692 -0.3692 -0.3629 -0.3629 -0.2836 -0.2836 -0.1172 -0.1172 0.3286 0.3286 0.3463 0.3463 0.4111 0.4111 0.5854 0.5854 0.6385 0.6385 0.7293 0.7293 4.9721 4.9721 7.0206 7.0206 7.4585 7.4585 7.6750 7.6750 7.7671 7.7671 7.9434 7.9434 9.6962 9.6962 10.4495 10.4495 11.4297 11.4297 11.5312 11.5312 k = 0.0833 0.0481 0.2913 ( 3370 PWs) bands (ev): -18.8471 -18.8471 -5.5425 -5.5425 -3.8236 -3.8236 -3.3706 -3.3706 -1.7610 -1.7610 -1.4285 -1.4285 -0.3642 -0.3642 -0.3609 -0.3609 -0.2845 -0.2845 -0.1132 -0.1132 0.3295 0.3295 0.3442 0.3442 0.4166 0.4166 0.5889 0.5889 0.6367 0.6367 0.7355 0.7355 4.9642 4.9642 7.0012 7.0012 7.3738 7.3738 7.6349 7.6349 7.7322 7.7322 7.9488 7.9488 9.7858 9.7858 10.4724 10.4724 11.4170 11.4170 11.5772 11.5772 k = 0.0952 0.0550 0.2913 ( 3378 PWs) bands (ev): -18.8463 -18.8463 -5.5439 -5.5439 -3.8230 -3.8230 -3.3810 -3.3810 -1.7514 -1.7514 -1.4318 -1.4318 -0.3609 -0.3609 -0.3563 -0.3563 -0.2853 -0.2853 -0.1089 -0.1089 0.3304 0.3304 0.3429 0.3429 0.4216 0.4216 0.5928 0.5928 0.6345 0.6345 0.7430 0.7430 4.9552 4.9552 6.9584 6.9584 7.3090 7.3090 7.5918 7.5918 7.6936 7.6936 7.9531 7.9531 9.8693 9.8693 10.5068 10.5068 11.3916 11.3916 11.6286 11.6286 k = 0.1071 0.0619 0.2913 ( 3382 PWs) bands (ev): -18.8454 -18.8454 -5.5455 -5.5455 -3.8224 -3.8224 -3.3924 -3.3924 -1.7411 -1.7411 -1.4356 -1.4356 -0.3588 -0.3588 -0.3495 -0.3495 -0.2861 -0.2861 -0.1041 -0.1041 0.3312 0.3312 0.3425 0.3425 0.4261 0.4261 0.5971 0.5971 0.6322 0.6322 0.7520 0.7520 4.9451 4.9451 6.8856 6.8856 7.2725 7.2725 7.5460 7.5460 7.6513 7.6513 7.9563 7.9563 9.9431 9.9431 10.5543 10.5543 11.3538 11.3538 11.6847 11.6847 k = 0.1190 0.0687 0.2913 ( 3380 PWs) bands (ev): -18.8445 -18.8445 -5.5474 -5.5474 -3.8217 -3.8217 -3.4045 -3.4045 -1.7300 -1.7300 -1.4397 -1.4397 -0.3568 -0.3568 -0.3419 -0.3419 -0.2867 -0.2867 -0.0990 -0.0990 0.3318 0.3318 0.3432 0.3432 0.4300 0.4300 0.6016 0.6016 0.6296 0.6296 0.7624 0.7624 4.9339 4.9339 6.7881 6.7881 7.2600 7.2600 7.4979 7.4979 7.6056 7.6056 7.9587 7.9587 10.0055 10.0055 10.6147 10.6147 11.3055 11.3055 11.7433 11.7433 k = 0.1310 0.0756 0.2913 ( 3384 PWs) bands (ev): -18.8435 -18.8435 -5.5495 -5.5495 -3.8211 -3.8211 -3.4171 -3.4171 -1.7185 -1.7185 -1.4440 -1.4440 -0.3546 -0.3546 -0.3338 -0.3338 -0.2870 -0.2870 -0.0935 -0.0935 0.3324 0.3324 0.3447 0.3447 0.4332 0.4332 0.6062 0.6062 0.6270 0.6270 0.7745 0.7745 4.9218 4.9218 6.6758 6.6758 7.2624 7.2624 7.4480 7.4480 7.5570 7.5570 7.9601 7.9601 10.0567 10.0567 10.6856 10.6856 11.2500 11.2500 11.7639 11.7640 k = 0.1429 0.0825 0.2913 ( 3380 PWs) bands (ev): -18.8423 -18.8423 -5.5518 -5.5518 -3.8205 -3.8205 -3.4300 -3.4300 -1.7066 -1.7066 -1.4486 -1.4486 -0.3522 -0.3522 -0.3253 -0.3253 -0.2869 -0.2869 -0.0877 -0.0877 0.3332 0.3332 0.3470 0.3470 0.4358 0.4358 0.6102 0.6102 0.6249 0.6249 0.7882 0.7882 4.9086 4.9086 6.5557 6.5557 7.2727 7.2727 7.3965 7.3965 7.5062 7.5062 7.9606 7.9606 10.0986 10.0986 10.7627 10.7627 11.1909 11.1909 11.7487 11.7487 k = 0.1548 0.0894 0.2913 ( 3384 PWs) bands (ev): -18.8412 -18.8412 -5.5543 -5.5543 -3.8200 -3.8200 -3.4432 -3.4432 -1.6945 -1.6945 -1.4534 -1.4534 -0.3496 -0.3496 -0.3170 -0.3170 -0.2860 -0.2860 -0.0816 -0.0816 0.3341 0.3341 0.3500 0.3500 0.4378 0.4378 0.6124 0.6124 0.6243 0.6243 0.8036 0.8036 4.8945 4.8945 6.4318 6.4318 7.2864 7.2864 7.3443 7.3443 7.4541 7.4541 7.9603 7.9603 10.1331 10.1331 10.8397 10.8397 11.1329 11.1329 11.7291 11.7291 k = 0.1667 0.0962 0.2913 ( 3382 PWs) bands (ev): -18.8399 -18.8399 -5.5571 -5.5571 -3.8196 -3.8196 -3.4563 -3.4563 -1.6824 -1.6824 -1.4582 -1.4582 -0.3468 -0.3468 -0.3095 -0.3095 -0.2835 -0.2835 -0.0752 -0.0752 0.3354 0.3354 0.3536 0.3536 0.4393 0.4393 0.6114 0.6114 0.6267 0.6267 0.8206 0.8206 4.8795 4.8795 6.3062 6.3062 7.2844 7.2844 7.3057 7.3057 7.4043 7.4043 7.9592 7.9592 10.1619 10.1619 10.9065 10.9065 11.0847 11.0847 11.7057 11.7057 k = 0.1786 0.1031 0.2913 ( 3382 PWs) bands (ev): -18.8386 -18.8386 -5.5601 -5.5601 -3.8194 -3.8194 -3.4692 -3.4692 -1.6705 -1.6705 -1.4630 -1.4630 -0.3439 -0.3439 -0.3040 -0.3040 -0.2786 -0.2786 -0.0686 -0.0686 0.3370 0.3370 0.3578 0.3578 0.4402 0.4402 0.6085 0.6085 0.6308 0.6308 0.8390 0.8390 4.8636 4.8636 6.1804 6.1804 7.2334 7.2334 7.2984 7.2984 7.3720 7.3720 7.9573 7.9573 10.1856 10.1856 10.9362 10.9362 11.0721 11.0721 11.6780 11.6780 k = 0.1905 0.1100 0.2913 ( 3382 PWs) bands (ev): -18.8373 -18.8373 -5.5633 -5.5633 -3.8195 -3.8195 -3.4817 -3.4817 -1.6592 -1.6592 -1.4676 -1.4676 -0.3408 -0.3408 -0.3006 -0.3006 -0.2710 -0.2710 -0.0617 -0.0617 0.3388 0.3388 0.3626 0.3626 0.4406 0.4406 0.6048 0.6048 0.6354 0.6354 0.8588 0.8588 4.8468 4.8468 6.0553 6.0553 7.1788 7.1788 7.2579 7.2579 7.3761 7.3761 7.9547 7.9547 10.2042 10.2042 10.9152 10.9152 11.1081 11.1081 11.6458 11.6458 k = 0.2024 0.1168 0.2913 ( 3378 PWs) bands (ev): -18.8359 -18.8359 -5.5667 -5.5667 -3.8200 -3.8200 -3.4937 -3.4937 -1.6485 -1.6485 -1.4718 -1.4718 -0.3376 -0.3376 -0.2988 -0.2988 -0.2614 -0.2614 -0.0546 -0.0546 0.3408 0.3408 0.3682 0.3682 0.4407 0.4407 0.6008 0.6008 0.6403 0.6403 0.8799 0.8799 4.8291 4.8291 5.9315 5.9315 7.1237 7.1237 7.2027 7.2027 7.3951 7.3951 7.9513 7.9513 10.2169 10.2169 10.8811 10.8811 11.1550 11.1550 11.6089 11.6089 k = 0.2143 0.1237 0.2913 ( 3378 PWs) bands (ev): -18.8345 -18.8345 -5.5703 -5.5703 -3.8208 -3.8208 -3.5049 -3.5049 -1.6388 -1.6388 -1.4755 -1.4755 -0.3342 -0.3342 -0.2978 -0.2978 -0.2509 -0.2509 -0.0471 -0.0471 0.3429 0.3429 0.3744 0.3744 0.4404 0.4404 0.5966 0.5966 0.6453 0.6453 0.9019 0.9019 4.8105 4.8105 5.8096 5.8096 7.0685 7.0685 7.1437 7.1437 7.4178 7.4178 7.9473 7.9473 10.2224 10.2224 10.8521 10.8521 11.1954 11.1954 11.5674 11.5674 k = 0.2262 0.1306 0.2913 ( 3374 PWs) bands (ev): -18.8330 -18.8330 -5.5742 -5.5742 -3.8221 -3.8221 -3.5153 -3.5153 -1.6304 -1.6304 -1.4782 -1.4782 -0.3306 -0.3306 -0.2970 -0.2970 -0.2398 -0.2398 -0.0394 -0.0394 0.3451 0.3451 0.3813 0.3813 0.4399 0.4399 0.5923 0.5923 0.6504 0.6504 0.9247 0.9247 4.7911 4.7911 5.6900 5.6900 7.0133 7.0133 7.0836 7.0836 7.4417 7.4417 7.9426 7.9426 10.2198 10.2198 10.8337 10.8337 11.2250 11.2250 11.5218 11.5218 k = 0.2381 0.1375 0.2913 ( 3374 PWs) bands (ev): -18.8316 -18.8316 -5.5782 -5.5782 -3.8239 -3.8239 -3.5247 -3.5247 -1.6236 -1.6236 -1.4799 -1.4799 -0.3270 -0.3270 -0.2963 -0.2963 -0.2287 -0.2287 -0.0314 -0.0314 0.3474 0.3474 0.3889 0.3889 0.4393 0.4393 0.5881 0.5881 0.6557 0.6557 0.9480 0.9480 4.7708 4.7708 5.5732 5.5732 6.9582 6.9582 7.0236 7.0236 7.4659 7.4659 7.9374 7.9374 10.2089 10.2089 10.8275 10.8275 11.2433 11.2433 11.4729 11.4729 k = 0.2500 0.1443 0.2913 ( 3378 PWs) bands (ev): -18.8301 -18.8301 -5.5823 -5.5823 -3.8263 -3.8263 -3.5329 -3.5329 -1.6187 -1.6187 -1.4802 -1.4802 -0.3233 -0.3233 -0.2956 -0.2956 -0.2175 -0.2175 -0.0230 -0.0230 0.3497 0.3497 0.3968 0.3968 0.4387 0.4387 0.5841 0.5841 0.6612 0.6612 0.9717 0.9717 4.7496 4.7496 5.4596 5.4596 6.9031 6.9031 6.9643 6.9643 7.4900 7.4900 7.9316 7.9316 10.1903 10.1903 10.8331 10.8331 11.2513 11.2513 11.4219 11.4219 k = 0.2619 0.1512 0.2913 ( 3376 PWs) bands (ev): -18.8286 -18.8286 -5.5866 -5.5866 -3.8293 -3.8293 -3.5400 -3.5400 -1.6158 -1.6158 -1.4790 -1.4790 -0.3195 -0.3195 -0.2949 -0.2949 -0.2066 -0.2066 -0.0143 -0.0143 0.3519 0.3519 0.4050 0.4050 0.4382 0.4382 0.5803 0.5803 0.6670 0.6670 0.9954 0.9954 4.7275 4.7275 5.3494 5.3494 6.8479 6.8479 6.9065 6.9065 7.5137 7.5137 7.9254 7.9254 10.1655 10.1655 10.8485 10.8485 11.2506 11.2506 11.3704 11.3704 k = 0.2738 0.1581 0.2913 ( 3384 PWs) bands (ev): -18.8272 -18.8272 -5.5910 -5.5910 -3.8329 -3.8329 -3.5458 -3.5458 -1.6149 -1.6149 -1.4764 -1.4764 -0.3156 -0.3156 -0.2942 -0.2942 -0.1961 -0.1961 -0.0053 -0.0053 0.3541 0.3541 0.4126 0.4126 0.4385 0.4385 0.5770 0.5770 0.6734 0.6734 1.0189 1.0189 4.7046 4.7046 5.2431 5.2431 6.7924 6.7924 6.8510 6.8510 7.5368 7.5368 7.9189 7.9189 10.1362 10.1362 10.8709 10.8709 11.2434 11.2434 11.3203 11.3203 k = 0.2857 0.1650 0.2913 ( 3380 PWs) bands (ev): -18.8257 -18.8257 -5.5955 -5.5955 -3.8370 -3.8370 -3.5504 -3.5504 -1.6158 -1.6158 -1.4725 -1.4725 -0.3117 -0.3117 -0.2933 -0.2933 -0.1861 -0.1861 0.0040 0.0040 0.3562 0.3562 0.4187 0.4187 0.4404 0.4404 0.5743 0.5743 0.6804 0.6804 1.0419 1.0419 4.6807 4.6807 5.1410 5.1410 6.7365 6.7365 6.7982 6.7982 7.5592 7.5592 7.9121 7.9121 10.1041 10.1041 10.8963 10.8963 11.2320 11.2320 11.2743 11.2743 k = 0.2976 0.1718 0.2913 ( 3380 PWs) bands (ev): -18.8243 -18.8243 -5.6001 -5.6001 -3.8416 -3.8416 -3.5539 -3.5539 -1.6184 -1.6184 -1.4675 -1.4675 -0.3079 -0.3079 -0.2924 -0.2924 -0.1767 -0.1767 0.0136 0.0136 0.3581 0.3581 0.4220 0.4220 0.4445 0.4445 0.5725 0.5725 0.6882 0.6882 1.0642 1.0642 4.6560 4.6560 5.0434 5.0434 6.6807 6.6807 6.7483 6.7483 7.5808 7.5808 7.9051 7.9051 10.0703 10.0703 10.9194 10.9194 11.2202 11.2202 11.2348 11.2348 k = 0.3095 0.1787 0.2913 ( 3386 PWs) bands (ev): -18.8229 -18.8229 -5.6046 -5.6046 -3.8467 -3.8467 -3.5562 -3.5562 -1.6221 -1.6221 -1.4619 -1.4619 -0.3042 -0.3042 -0.2913 -0.2913 -0.1679 -0.1679 0.0235 0.0235 0.3599 0.3599 0.4229 0.4229 0.4504 0.4504 0.5718 0.5718 0.6971 0.6971 1.0854 1.0854 4.6303 4.6303 4.9508 4.9508 6.6253 6.6253 6.7013 6.7013 7.6015 7.6015 7.8980 7.8980 10.0357 10.0357 10.9330 10.9330 11.2019 11.2019 11.2159 11.2159 k = 0.3214 0.1856 0.2913 ( 3392 PWs) bands (ev): -18.8216 -18.8216 -5.6091 -5.6091 -3.8521 -3.8521 -3.5575 -3.5575 -1.6267 -1.6267 -1.4558 -1.4558 -0.3006 -0.3006 -0.2901 -0.2901 -0.1598 -0.1598 0.0335 0.0335 0.3616 0.3616 0.4226 0.4226 0.4563 0.4563 0.5725 0.5725 0.7073 0.7073 1.1053 1.1053 4.6036 4.6036 4.8636 4.8636 6.5710 6.5710 6.6571 6.6571 7.6213 7.6213 7.8910 7.8910 10.0007 10.0007 10.9312 10.9312 11.1746 11.1746 11.2268 11.2268 k = 0.3333 0.1925 0.2913 ( 3400 PWs) bands (ev): -18.8203 -18.8203 -5.6136 -5.6136 -3.8577 -3.8577 -3.5580 -3.5580 -1.6320 -1.6320 -1.4496 -1.4496 -0.2973 -0.2973 -0.2886 -0.2886 -0.1524 -0.1524 0.0435 0.0435 0.3632 0.3632 0.4216 0.4216 0.4612 0.4612 0.5745 0.5745 0.7190 0.7190 1.1235 1.1235 4.5760 4.5760 4.7821 4.7821 6.5182 6.5182 6.6155 6.6155 7.6401 7.6401 7.8842 7.8842 9.9656 9.9656 10.9147 10.9147 11.1491 11.1491 11.2564 11.2564 k = 0.3452 0.1993 0.2913 ( 3392 PWs) bands (ev): -18.8190 -18.8190 -5.6179 -5.6179 -3.8634 -3.8634 -3.5577 -3.5577 -1.6376 -1.6376 -1.4434 -1.4434 -0.2944 -0.2944 -0.2867 -0.2867 -0.1457 -0.1457 0.0536 0.0536 0.3647 0.3647 0.4204 0.4204 0.4647 0.4647 0.5779 0.5779 0.7326 0.7326 1.1397 1.1397 4.5472 4.5472 4.7070 4.7070 6.4673 6.4673 6.5767 6.5767 7.6579 7.6579 7.8776 7.8776 9.9307 9.9307 10.8895 10.8895 11.1244 11.1244 11.3001 11.3001 k = 0.3571 0.2062 0.2913 ( 3384 PWs) bands (ev): -18.8178 -18.8178 -5.6221 -5.6221 -3.8692 -3.8692 -3.5567 -3.5567 -1.6435 -1.6435 -1.4374 -1.4374 -0.2921 -0.2921 -0.2844 -0.2844 -0.1398 -0.1398 0.0634 0.0634 0.3660 0.3660 0.4190 0.4190 0.4666 0.4666 0.5824 0.5824 0.7481 0.7481 1.1538 1.1538 4.5171 4.5171 4.6388 4.6388 6.4189 6.4189 6.5404 6.5404 7.6747 7.6747 7.8715 7.8715 9.8961 9.8961 10.8612 10.8612 11.1002 11.1002 11.3528 11.3528 k = 0.3690 0.2131 0.2913 ( 3384 PWs) bands (ev): -18.8167 -18.8167 -5.6262 -5.6262 -3.8748 -3.8748 -3.5553 -3.5553 -1.6493 -1.6493 -1.4317 -1.4317 -0.2904 -0.2904 -0.2817 -0.2817 -0.1345 -0.1345 0.0731 0.0731 0.3672 0.3672 0.4174 0.4174 0.4672 0.4672 0.5875 0.5875 0.7657 0.7657 1.1653 1.1653 4.4851 4.4851 4.5784 4.5784 6.3732 6.3732 6.5068 6.5068 7.6903 7.6903 7.8660 7.8660 9.8620 9.8620 10.8331 10.8331 11.0766 11.0766 11.4108 11.4108 k = 0.3810 0.2199 0.2913 ( 3388 PWs) bands (ev): -18.8157 -18.8157 -5.6300 -5.6300 -3.8803 -3.8803 -3.5536 -3.5536 -1.6550 -1.6550 -1.4264 -1.4264 -0.2890 -0.2890 -0.2789 -0.2789 -0.1298 -0.1298 0.0823 0.0823 0.3684 0.3684 0.4158 0.4158 0.4667 0.4667 0.5928 0.5928 0.7853 0.7853 1.1742 1.1742 4.4509 4.4509 4.5267 4.5267 6.3306 6.3306 6.4760 6.4760 7.7045 7.7045 7.8612 7.8612 9.8287 9.8287 10.8071 10.8071 11.0538 11.0538 11.4715 11.4715 k = 0.3929 0.2268 0.2913 ( 3390 PWs) bands (ev): -18.8147 -18.8147 -5.6336 -5.6336 -3.8854 -3.8854 -3.5516 -3.5516 -1.6605 -1.6605 -1.4214 -1.4214 -0.2879 -0.2879 -0.2760 -0.2760 -0.1257 -0.1257 0.0910 0.0910 0.3696 0.3696 0.4141 0.4141 0.4654 0.4654 0.5979 0.5979 0.8068 0.8068 1.1803 1.1803 4.4150 4.4150 4.4835 4.4835 6.2913 6.2913 6.4478 6.4478 7.7174 7.7174 7.8573 7.8573 9.7966 9.7966 10.7840 10.7840 11.0320 11.0320 11.5332 11.5332 k = 0.4048 0.2337 0.2913 ( 3394 PWs) bands (ev): -18.8138 -18.8138 -5.6369 -5.6369 -3.8902 -3.8902 -3.5495 -3.5495 -1.6657 -1.6657 -1.4170 -1.4170 -0.2870 -0.2870 -0.2733 -0.2733 -0.1222 -0.1222 0.0992 0.0992 0.3708 0.3708 0.4124 0.4124 0.4638 0.4638 0.6026 0.6026 0.8297 0.8297 1.1834 1.1834 4.3793 4.3793 4.4472 4.4472 6.2555 6.2555 6.4225 6.4225 7.7286 7.7286 7.8545 7.8545 9.7659 9.7659 10.7642 10.7642 11.0116 11.0116 11.5943 11.5943 k = 0.4167 0.2406 0.2913 ( 3394 PWs) bands (ev): -18.8130 -18.8130 -5.6399 -5.6399 -3.8946 -3.8946 -3.5475 -3.5475 -1.6704 -1.6704 -1.4130 -1.4130 -0.2861 -0.2861 -0.2708 -0.2708 -0.1193 -0.1193 0.1067 0.1067 0.3719 0.3719 0.4105 0.4105 0.4619 0.4619 0.6068 0.6068 0.8536 0.8536 1.1837 1.1837 4.3463 4.3463 4.4159 4.4159 6.2235 6.2235 6.4000 6.4000 7.7381 7.7381 7.8528 7.8528 9.7373 9.7373 10.7476 10.7476 10.9927 10.9927 11.6532 11.6532 k = 0.4286 0.2474 0.2913 ( 3394 PWs) bands (ev): -18.8123 -18.8123 -5.6426 -5.6426 -3.8985 -3.8985 -3.5455 -3.5455 -1.6747 -1.6747 -1.4096 -1.4096 -0.2854 -0.2854 -0.2685 -0.2685 -0.1167 -0.1167 0.1133 0.1133 0.3732 0.3732 0.4086 0.4086 0.4600 0.4600 0.6104 0.6104 0.8781 0.8781 1.1811 1.1811 4.3176 4.3176 4.3882 4.3882 6.1955 6.1955 6.3804 6.3804 7.7457 7.7457 7.8523 7.8523 9.7111 9.7111 10.7343 10.7343 10.9756 10.9756 11.7086 11.7086 k = 0.4405 0.2543 0.2913 ( 3394 PWs) bands (ev): -18.8117 -18.8117 -5.6449 -5.6449 -3.9018 -3.9018 -3.5436 -3.5436 -1.6784 -1.6784 -1.4066 -1.4066 -0.2848 -0.2848 -0.2665 -0.2665 -0.1147 -0.1147 0.1191 0.1191 0.3744 0.3744 0.4066 0.4066 0.4582 0.4582 0.6135 0.6135 0.9023 0.9023 1.1761 1.1761 4.2939 4.2939 4.3635 4.3635 6.1715 6.1715 6.3638 6.3638 7.7515 7.7515 7.8527 7.8527 9.6879 9.6879 10.7238 10.7238 10.9605 10.9605 11.7589 11.7589 k = 0.4524 0.2612 0.2913 ( 3390 PWs) bands (ev): -18.8112 -18.8112 -5.6468 -5.6468 -3.9046 -3.9046 -3.5420 -3.5420 -1.6814 -1.6814 -1.4042 -1.4042 -0.2844 -0.2844 -0.2648 -0.2648 -0.1130 -0.1130 0.1240 0.1240 0.3757 0.3757 0.4047 0.4047 0.4566 0.4566 0.6159 0.6159 0.9255 0.9255 1.1690 1.1690 4.2757 4.2757 4.3419 4.3419 6.1518 6.1518 6.3501 6.3501 7.7556 7.7556 7.8539 7.8539 9.6681 9.6681 10.7158 10.7158 10.9477 10.9477 11.8027 11.8027 k = 0.4643 0.2681 0.2913 ( 3382 PWs) bands (ev): -18.8109 -18.8109 -5.6483 -5.6483 -3.9068 -3.9068 -3.5407 -3.5407 -1.6839 -1.6839 -1.4024 -1.4024 -0.2840 -0.2840 -0.2635 -0.2635 -0.1118 -0.1118 0.1278 0.1278 0.3769 0.3769 0.4028 0.4028 0.4554 0.4554 0.6178 0.6178 0.9466 0.9466 1.1608 1.1608 4.2625 4.2625 4.3239 4.3239 6.1363 6.1363 6.3395 6.3395 7.7584 7.7584 7.8555 7.8555 9.6523 9.6523 10.7101 10.7101 10.9375 10.9375 11.8386 11.8386 k = 0.4762 0.2749 0.2913 ( 3374 PWs) bands (ev): -18.8106 -18.8106 -5.6494 -5.6494 -3.9084 -3.9084 -3.5398 -3.5398 -1.6857 -1.6857 -1.4010 -1.4010 -0.2837 -0.2837 -0.2625 -0.2625 -0.1109 -0.1109 0.1306 0.1306 0.3780 0.3780 0.4013 0.4013 0.4545 0.4545 0.6191 0.6191 0.9639 0.9639 1.1528 1.1528 4.2541 4.2541 4.3099 4.3099 6.1252 6.1252 6.3318 6.3318 7.7602 7.7602 7.8569 7.8569 9.6407 9.6407 10.7063 10.7063 10.9300 10.9300 11.8653 11.8653 k = 0.4881 0.2818 0.2913 ( 3370 PWs) bands (ev): -18.8104 -18.8104 -5.6500 -5.6500 -3.9094 -3.9094 -3.5392 -3.5392 -1.6867 -1.6867 -1.4002 -1.4002 -0.2835 -0.2835 -0.2619 -0.2619 -0.1104 -0.1104 0.1323 0.1323 0.3787 0.3787 0.4003 0.4003 0.4539 0.4539 0.6199 0.6199 0.9757 0.9757 1.1467 1.1467 4.2495 4.2495 4.3010 4.3010 6.1186 6.1186 6.3272 6.3272 7.7611 7.7611 7.8579 7.8579 9.6336 9.6336 10.7041 10.7041 10.9254 10.9254 11.8817 11.8817 k = 0.5000 0.2887 0.2913 ( 3376 PWs) bands (ev): -18.8104 -18.8104 -5.6503 -5.6503 -3.9097 -3.9097 -3.5390 -3.5390 -1.6871 -1.6871 -1.3999 -1.3999 -0.2835 -0.2835 -0.2617 -0.2617 -0.1102 -0.1102 0.1328 0.1328 0.3790 0.3790 0.3999 0.3999 0.4537 0.4537 0.6202 0.6202 0.9799 0.9799 1.1444 1.1444 4.2481 4.2481 4.2979 4.2979 6.1163 6.1163 6.3257 6.3257 7.7614 7.7614 7.8583 7.8583 9.6312 9.6312 10.7034 10.7034 10.9239 10.9239 11.8873 11.8873 k = 0.5000 0.2887 0.2913 ( 3376 PWs) bands (ev): -18.8104 -18.8104 -5.6503 -5.6503 -3.9097 -3.9097 -3.5390 -3.5390 -1.6871 -1.6871 -1.3999 -1.3999 -0.2835 -0.2835 -0.2617 -0.2617 -0.1102 -0.1102 0.1328 0.1328 0.3790 0.3790 0.3999 0.3999 0.4537 0.4537 0.6202 0.6202 0.9799 0.9799 1.1444 1.1444 4.2481 4.2481 4.2979 4.2979 6.1163 6.1163 6.3257 6.3257 7.7614 7.7614 7.8583 7.8583 9.6312 9.6312 10.7034 10.7034 10.9239 10.9239 11.8873 11.8873 k = 0.4931 0.3007 0.2913 ( 3372 PWs) bands (ev): -18.8103 -18.8103 -5.6503 -5.6503 -3.9095 -3.9095 -3.5396 -3.5396 -1.6866 -1.6866 -1.4000 -1.4000 -0.2835 -0.2835 -0.2616 -0.2616 -0.1104 -0.1104 0.1330 0.1330 0.3790 0.3790 0.4000 0.4000 0.4538 0.4538 0.6199 0.6199 0.9798 0.9798 1.1450 1.1450 4.2490 4.2490 4.2983 4.2983 6.1176 6.1176 6.3219 6.3219 7.7569 7.7569 7.8531 7.8531 9.6356 9.6356 10.7081 10.7081 10.9318 10.9318 11.8824 11.8824 k = 0.4861 0.3127 0.2913 ( 3372 PWs) bands (ev): -18.8103 -18.8103 -5.6503 -5.6503 -3.9089 -3.9089 -3.5414 -3.5414 -1.6851 -1.6851 -1.4003 -1.4003 -0.2838 -0.2838 -0.2612 -0.2612 -0.1108 -0.1108 0.1334 0.1334 0.3791 0.3791 0.4002 0.4002 0.4540 0.4540 0.6191 0.6191 0.9796 0.9796 1.1471 1.1471 4.2517 4.2517 4.2994 4.2994 6.1213 6.1213 6.3107 6.3107 7.7428 7.7428 7.8388 7.8388 9.6483 9.6483 10.7224 10.7224 10.9553 10.9553 11.8684 11.8684 k = 0.4792 0.3248 0.2913 ( 3384 PWs) bands (ev): -18.8102 -18.8102 -5.6503 -5.6503 -3.9080 -3.9080 -3.5444 -3.5444 -1.6826 -1.6826 -1.4008 -1.4008 -0.2841 -0.2841 -0.2606 -0.2606 -0.1115 -0.1115 0.1341 0.1341 0.3793 0.3793 0.4005 0.4005 0.4544 0.4544 0.6179 0.6179 0.9792 0.9792 1.1503 1.1503 4.2561 4.2561 4.3012 4.3012 6.1273 6.1273 6.2927 6.2927 7.7168 7.7168 7.8183 7.8183 9.6690 9.6690 10.7462 10.7462 10.9939 10.9939 11.8467 11.8467 k = 0.4722 0.3368 0.2913 ( 3388 PWs) bands (ev): -18.8101 -18.8101 -5.6502 -5.6502 -3.9066 -3.9066 -3.5485 -3.5485 -1.6791 -1.6791 -1.4015 -1.4015 -0.2846 -0.2846 -0.2598 -0.2598 -0.1125 -0.1125 0.1350 0.1350 0.3796 0.3796 0.4009 0.4009 0.4549 0.4549 0.6161 0.6161 0.9789 0.9789 1.1547 1.1547 4.2622 4.2622 4.3038 4.3038 6.1354 6.1354 6.2688 6.2688 7.6771 7.6771 7.7947 7.7947 9.6968 9.6968 10.7798 10.7798 11.0466 11.0466 11.8190 11.8190 k = 0.4653 0.3488 0.2913 ( 3388 PWs) bands (ev): -18.8099 -18.8099 -5.6502 -5.6502 -3.9049 -3.9049 -3.5536 -3.5536 -1.6748 -1.6748 -1.4024 -1.4024 -0.2851 -0.2851 -0.2588 -0.2588 -0.1138 -0.1138 0.1362 0.1362 0.3801 0.3801 0.4013 0.4013 0.4555 0.4555 0.6138 0.6138 0.9786 0.9786 1.1601 1.1601 4.2696 4.2696 4.3072 4.3072 6.1445 6.1445 6.2408 6.2408 7.6244 7.6244 7.7691 7.7691 9.7310 9.7310 10.8234 10.8234 11.1120 11.1120 11.7870 11.7870 k = 0.4583 0.3608 0.2913 ( 3392 PWs) bands (ev): -18.8097 -18.8097 -5.6502 -5.6502 -3.9028 -3.9028 -3.5597 -3.5597 -1.6696 -1.6696 -1.4035 -1.4035 -0.2857 -0.2857 -0.2576 -0.2576 -0.1154 -0.1154 0.1378 0.1378 0.3809 0.3809 0.4017 0.4017 0.4563 0.4563 0.6110 0.6110 0.9785 0.9785 1.1663 1.1663 4.2781 4.2781 4.3117 4.3117 6.1507 6.1507 6.2136 6.2136 7.5612 7.5612 7.7406 7.7406 9.7707 9.7707 10.8769 10.8769 11.1888 11.1888 11.7518 11.7518 k = 0.4514 0.3729 0.2913 ( 3388 PWs) bands (ev): -18.8095 -18.8095 -5.6503 -5.6503 -3.9005 -3.9005 -3.5667 -3.5667 -1.6637 -1.6637 -1.4048 -1.4048 -0.2862 -0.2862 -0.2563 -0.2563 -0.1172 -0.1172 0.1395 0.1395 0.3819 0.3819 0.4021 0.4021 0.4573 0.4573 0.6077 0.6077 0.9786 0.9786 1.1731 1.1731 4.2872 4.2872 4.3173 4.3173 6.1397 6.1397 6.2025 6.2025 7.4901 7.4901 7.7086 7.7086 9.8155 9.8155 10.9403 10.9403 11.2752 11.2752 11.7143 11.7143 k = 0.4444 0.3849 0.2913 ( 3382 PWs) bands (ev): -18.8092 -18.8092 -5.6503 -5.6503 -3.8978 -3.8978 -3.5743 -3.5743 -1.6572 -1.6572 -1.4063 -1.4063 -0.2868 -0.2868 -0.2549 -0.2549 -0.1193 -0.1193 0.1416 0.1416 0.3832 0.3832 0.4025 0.4025 0.4584 0.4584 0.6040 0.6040 0.9790 0.9790 1.1803 1.1803 4.2964 4.2964 4.3246 4.3246 6.1072 6.1072 6.2126 6.2126 7.4135 7.4135 7.6723 7.6723 9.8649 9.8649 11.0132 11.0132 11.3695 11.3695 11.6754 11.6754 k = 0.4375 0.3969 0.2913 ( 3386 PWs) bands (ev): -18.8090 -18.8090 -5.6503 -5.6503 -3.8949 -3.8949 -3.5825 -3.5825 -1.6502 -1.6502 -1.4080 -1.4080 -0.2873 -0.2873 -0.2534 -0.2534 -0.1215 -0.1215 0.1439 0.1439 0.3848 0.3848 0.4030 0.4030 0.4596 0.4596 0.5999 0.5999 0.9798 0.9798 1.1877 1.1877 4.3049 4.3049 4.3339 4.3339 6.0669 6.0669 6.2312 6.2312 7.3335 7.3335 7.6318 7.6318 9.9184 9.9184 11.0953 11.0953 11.4689 11.4689 11.6364 11.6364 k = 0.4306 0.4090 0.2913 ( 3378 PWs) bands (ev): -18.8087 -18.8087 -5.6504 -5.6504 -3.8919 -3.8919 -3.5912 -3.5912 -1.6427 -1.6427 -1.4099 -1.4099 -0.2878 -0.2878 -0.2518 -0.2518 -0.1240 -0.1240 0.1464 0.1464 0.3867 0.3867 0.4035 0.4035 0.4610 0.4610 0.5953 0.5953 0.9810 0.9810 1.1951 1.1951 4.3126 4.3126 4.3450 4.3450 6.0243 6.0243 6.2537 6.2537 7.2518 7.2518 7.5871 7.5871 9.9757 9.9757 11.1856 11.1856 11.5568 11.5568 11.6130 11.6130 k = 0.4236 0.4210 0.2913 ( 3378 PWs) bands (ev): -18.8084 -18.8084 -5.6505 -5.6505 -3.8886 -3.8886 -3.6001 -3.6001 -1.6350 -1.6350 -1.4120 -1.4120 -0.2883 -0.2883 -0.2502 -0.2502 -0.1267 -0.1267 0.1492 0.1492 0.3888 0.3888 0.4041 0.4041 0.4624 0.4624 0.5904 0.5904 0.9827 0.9827 1.2024 1.2024 4.3196 4.3196 4.3575 4.3575 5.9812 5.9812 6.2789 6.2789 7.1699 7.1699 7.5386 7.5386 10.0368 10.0368 11.2825 11.2825 11.5427 11.5427 11.6952 11.6952 k = 0.4167 0.4330 0.2913 ( 3386 PWs) bands (ev): -18.8081 -18.8081 -5.6506 -5.6506 -3.8853 -3.8853 -3.6092 -3.6092 -1.6271 -1.6271 -1.4142 -1.4142 -0.2886 -0.2886 -0.2485 -0.2485 -0.1294 -0.1294 0.1520 0.1520 0.3909 0.3909 0.4050 0.4050 0.4640 0.4640 0.5852 0.5852 0.9849 0.9849 1.2093 1.2093 4.3261 4.3261 4.3708 4.3708 5.9388 5.9388 6.3062 6.3062 7.0893 7.0893 7.4868 7.4868 10.1011 10.1011 11.3796 11.3796 11.5096 11.5096 11.8040 11.8040 k = 0.4097 0.4450 0.2913 ( 3386 PWs) bands (ev): -18.8078 -18.8078 -5.6508 -5.6508 -3.8820 -3.8820 -3.6182 -3.6182 -1.6192 -1.6192 -1.4166 -1.4166 -0.2889 -0.2889 -0.2467 -0.2467 -0.1323 -0.1323 0.1550 0.1550 0.3929 0.3929 0.4064 0.4064 0.4656 0.4656 0.5798 0.5798 0.9876 0.9876 1.2157 1.2157 4.3324 4.3324 4.3842 4.3842 5.8978 5.8978 6.3353 6.3353 7.0112 7.0112 7.4323 7.4323 10.1686 10.1686 11.4229 11.4229 11.5340 11.5340 11.9144 11.9144 k = 0.4028 0.4571 0.2913 ( 3390 PWs) bands (ev): -18.8074 -18.8074 -5.6510 -5.6510 -3.8787 -3.8787 -3.6270 -3.6270 -1.6114 -1.6114 -1.4191 -1.4191 -0.2891 -0.2891 -0.2450 -0.2450 -0.1351 -0.1351 0.1581 0.1581 0.3944 0.3944 0.4084 0.4084 0.4673 0.4673 0.5742 0.5742 0.9907 0.9907 1.2215 1.2215 4.3387 4.3387 4.3972 4.3972 5.8591 5.8591 6.3657 6.3657 6.9370 6.9370 7.3758 7.3758 10.2387 10.2387 11.3903 11.3903 11.6385 11.6385 12.0235 12.0235 k = 0.3958 0.4691 0.2913 ( 3402 PWs) bands (ev): -18.8071 -18.8071 -5.6512 -5.6512 -3.8755 -3.8755 -3.6354 -3.6354 -1.6038 -1.6038 -1.4217 -1.4217 -0.2893 -0.2893 -0.2432 -0.2432 -0.1380 -0.1380 0.1611 0.1611 0.3954 0.3954 0.4111 0.4111 0.4691 0.4691 0.5685 0.5685 0.9944 0.9944 1.2266 1.2266 4.3449 4.3449 4.4093 4.4093 5.8230 5.8230 6.3968 6.3968 6.8681 6.8681 7.3178 7.3178 10.3110 10.3110 11.3458 11.3458 11.7583 11.7583 12.1292 12.1292 k = 0.3889 0.4811 0.2913 ( 3402 PWs) bands (ev): -18.8068 -18.8068 -5.6514 -5.6514 -3.8724 -3.8724 -3.6433 -3.6433 -1.5966 -1.5966 -1.4242 -1.4242 -0.2894 -0.2894 -0.2414 -0.2414 -0.1407 -0.1407 0.1641 0.1641 0.3960 0.3960 0.4144 0.4144 0.4709 0.4709 0.5628 0.5628 0.9985 0.9985 1.2308 1.2308 4.3511 4.3511 4.4202 4.4202 5.7901 5.7901 6.4276 6.4276 6.8063 6.8063 7.2591 7.2591 10.3849 10.3849 11.2989 11.2989 11.8831 11.8831 12.2296 12.2296 k = 0.3819 0.4932 0.2913 ( 3396 PWs) bands (ev): -18.8065 -18.8065 -5.6517 -5.6517 -3.8697 -3.8697 -3.6505 -3.6505 -1.5899 -1.5899 -1.4267 -1.4267 -0.2894 -0.2894 -0.2397 -0.2397 -0.1433 -0.1433 0.1669 0.1669 0.3963 0.3963 0.4179 0.4179 0.4728 0.4728 0.5572 0.5572 1.0030 1.0030 1.2341 1.2341 4.3573 4.3573 4.4293 4.4293 5.7607 5.7607 6.4562 6.4562 6.7541 6.7541 7.2002 7.2002 10.4598 10.4598 11.2509 11.2509 12.0098 12.0098 12.3226 12.3226 k = 0.3750 0.5052 0.2913 ( 3392 PWs) bands (ev): -18.8063 -18.8063 -5.6519 -5.6519 -3.8673 -3.8673 -3.6569 -3.6569 -1.5838 -1.5838 -1.4290 -1.4290 -0.2893 -0.2893 -0.2381 -0.2381 -0.1458 -0.1458 0.1696 0.1696 0.3964 0.3964 0.4214 0.4214 0.4746 0.4746 0.5519 0.5519 1.0077 1.0077 1.2365 1.2365 4.3636 4.3636 4.4363 4.4363 5.7351 5.7351 6.4793 6.4793 6.7156 6.7156 7.1419 7.1419 10.5347 10.5347 11.2027 11.2027 12.1363 12.1363 12.4066 12.4066 k = 0.3681 0.5172 0.2913 ( 3384 PWs) bands (ev): -18.8060 -18.8060 -5.6522 -5.6522 -3.8652 -3.8652 -3.6624 -3.6624 -1.5786 -1.5786 -1.4311 -1.4311 -0.2893 -0.2893 -0.2366 -0.2366 -0.1480 -0.1480 0.1720 0.1720 0.3963 0.3963 0.4248 0.4248 0.4765 0.4765 0.5470 0.5470 1.0125 1.0125 1.2380 1.2380 4.3699 4.3699 4.4411 4.4411 5.7134 5.7134 6.4916 6.4916 6.6963 6.6963 7.0846 7.0846 10.6086 10.6086 11.1544 11.1544 12.2600 12.2600 12.4800 12.4800 k = 0.3611 0.5292 0.2913 ( 3388 PWs) bands (ev): -18.8058 -18.8058 -5.6525 -5.6525 -3.8636 -3.8636 -3.6668 -3.6668 -1.5742 -1.5742 -1.4329 -1.4329 -0.2892 -0.2892 -0.2352 -0.2352 -0.1498 -0.1498 0.1742 0.1742 0.3962 0.3962 0.4277 0.4277 0.4783 0.4783 0.5426 0.5426 1.0173 1.0173 1.2387 1.2387 4.3762 4.3762 4.4435 4.4435 5.6957 5.6957 6.4905 6.4905 6.6994 6.6994 7.0289 7.0289 10.6802 10.6802 11.1064 11.1064 12.3774 12.3774 12.5423 12.5423 k = 0.3542 0.5413 0.2913 ( 3392 PWs) bands (ev): -18.8057 -18.8057 -5.6527 -5.6527 -3.8624 -3.8624 -3.6703 -3.6703 -1.5707 -1.5707 -1.4343 -1.4343 -0.2891 -0.2891 -0.2340 -0.2340 -0.1514 -0.1514 0.1759 0.1759 0.3961 0.3961 0.4301 0.4301 0.4799 0.4799 0.5389 0.5389 1.0216 1.0216 1.2388 1.2388 4.3824 4.3824 4.4437 4.4437 5.6821 5.6821 6.4803 6.4803 6.7207 6.7207 6.9754 6.9754 10.7481 10.7481 11.0591 11.0591 12.4842 12.4842 12.5936 12.5936 k = 0.3472 0.5533 0.2913 ( 3392 PWs) bands (ev): -18.8055 -18.8055 -5.6529 -5.6529 -3.8616 -3.8616 -3.6727 -3.6727 -1.5683 -1.5683 -1.4353 -1.4353 -0.2890 -0.2890 -0.2332 -0.2332 -0.1525 -0.1525 0.1772 0.1772 0.3960 0.3960 0.4319 0.4319 0.4812 0.4812 0.5361 0.5361 1.0252 1.0252 1.2385 1.2385 4.3882 4.3882 4.4419 4.4419 5.6724 5.6724 6.4685 6.4685 6.7528 6.7528 6.9245 6.9245 10.8105 10.8105 11.0130 11.0130 12.5747 12.5747 12.6355 12.6355 k = 0.3403 0.5653 0.2913 ( 3392 PWs) bands (ev): -18.8055 -18.8055 -5.6530 -5.6530 -3.8612 -3.8612 -3.6741 -3.6741 -1.5669 -1.5669 -1.4359 -1.4359 -0.2889 -0.2889 -0.2326 -0.2326 -0.1532 -0.1532 0.1781 0.1781 0.3959 0.3959 0.4330 0.4330 0.4821 0.4821 0.5344 0.5344 1.0278 1.0278 1.2381 1.2381 4.3928 4.3928 4.4394 4.4394 5.6668 5.6668 6.4599 6.4599 6.7908 6.7908 6.8767 6.8767 10.8647 10.8647 10.9695 10.9695 12.6423 12.6423 12.6706 12.6706 k = 0.3333 0.5774 0.2913 ( 3384 PWs) bands (ev): -18.8054 -18.8054 -5.6530 -5.6530 -3.8611 -3.8611 -3.6745 -3.6745 -1.5665 -1.5665 -1.4360 -1.4360 -0.2889 -0.2889 -0.2324 -0.2324 -0.1534 -0.1534 0.1784 0.1784 0.3959 0.3959 0.4333 0.4333 0.4823 0.4823 0.5339 0.5339 1.0287 1.0287 1.2379 1.2379 4.3948 4.3948 4.4381 4.4381 5.6649 5.6649 6.4567 6.4567 6.8295 6.8295 6.8349 6.8349 10.8959 10.8959 10.9420 10.9420 12.6785 12.6785 12.6926 12.6926 k = 0.3333 0.5774 0.2913 ( 3384 PWs) bands (ev): -18.8054 -18.8054 -5.6530 -5.6530 -3.8611 -3.8611 -3.6745 -3.6745 -1.5665 -1.5665 -1.4360 -1.4360 -0.2889 -0.2889 -0.2324 -0.2324 -0.1534 -0.1534 0.1784 0.1784 0.3959 0.3959 0.4333 0.4333 0.4823 0.4823 0.5339 0.5339 1.0287 1.0287 1.2379 1.2379 4.3948 4.3948 4.4381 4.4381 5.6649 5.6649 6.4567 6.4567 6.8295 6.8295 6.8349 6.8349 10.8959 10.8959 10.9420 10.9420 12.6785 12.6785 12.6926 12.6927 k = 0.3264 0.5653 0.2913 ( 3390 PWs) bands (ev): -18.8055 -18.8055 -5.6530 -5.6530 -3.8611 -3.8611 -3.6741 -3.6741 -1.5669 -1.5669 -1.4359 -1.4359 -0.2889 -0.2889 -0.2326 -0.2326 -0.1532 -0.1532 0.1781 0.1781 0.3959 0.3959 0.4330 0.4330 0.4821 0.4821 0.5344 0.5344 1.0276 1.0276 1.2382 1.2382 4.3925 4.3925 4.4400 4.4400 5.6667 5.6667 6.4600 6.4600 6.7916 6.7916 6.8756 6.8756 10.8691 10.8691 10.9648 10.9648 12.6304 12.6304 12.7038 12.7038 k = 0.3194 0.5533 0.2913 ( 3394 PWs) bands (ev): -18.8055 -18.8055 -5.6528 -5.6528 -3.8614 -3.8614 -3.6730 -3.6730 -1.5680 -1.5680 -1.4355 -1.4355 -0.2890 -0.2890 -0.2332 -0.2332 -0.1525 -0.1525 0.1771 0.1771 0.3960 0.3960 0.4321 0.4321 0.4813 0.4813 0.5358 0.5358 1.0242 1.0242 1.2393 1.2393 4.3861 4.3861 4.4456 4.4456 5.6721 5.6721 6.4700 6.4700 6.7553 6.7553 6.9200 6.9200 10.8291 10.8291 10.9925 10.9925 12.5660 12.5660 12.7048 12.7048 k = 0.3125 0.5413 0.2913 ( 3402 PWs) bands (ev): -18.8057 -18.8057 -5.6525 -5.6525 -3.8616 -3.8616 -3.6712 -3.6712 -1.5698 -1.5698 -1.4350 -1.4350 -0.2892 -0.2892 -0.2343 -0.2343 -0.1515 -0.1515 0.1754 0.1754 0.3962 0.3962 0.4306 0.4306 0.4802 0.4802 0.5379 0.5379 1.0181 1.0181 1.2412 1.2412 4.3775 4.3775 4.4540 4.4540 5.6808 5.6808 6.4865 6.4865 6.7235 6.7235 6.9649 6.9649 10.7890 10.7890 11.0120 11.0120 12.4984 12.4984 12.6957 12.6957 k = 0.3056 0.5292 0.2913 ( 3394 PWs) bands (ev): -18.8059 -18.8059 -5.6520 -5.6520 -3.8617 -3.8617 -3.6689 -3.6689 -1.5720 -1.5720 -1.4344 -1.4344 -0.2894 -0.2894 -0.2357 -0.2357 -0.1501 -0.1501 0.1730 0.1730 0.3965 0.3965 0.4288 0.4288 0.4790 0.4790 0.5404 0.5404 1.0093 1.0093 1.2439 1.2439 4.3684 4.3684 4.4641 4.4641 5.6928 5.6928 6.5091 6.5091 6.6965 6.6965 7.0098 7.0098 10.7502 10.7502 11.0227 11.0227 12.4286 12.4286 12.6810 12.6810 k = 0.2986 0.5172 0.2913 ( 3390 PWs) bands (ev): -18.8062 -18.8062 -5.6513 -5.6513 -3.8617 -3.8617 -3.6662 -3.6662 -1.5744 -1.5744 -1.4340 -1.4340 -0.2898 -0.2898 -0.2375 -0.2375 -0.1484 -0.1484 0.1698 0.1698 0.3969 0.3969 0.4267 0.4267 0.4776 0.4776 0.5431 0.5431 0.9979 0.9979 1.2472 1.2472 4.3600 4.3600 4.4753 4.4753 5.7081 5.7081 6.5372 6.5372 6.6746 6.6746 7.0546 7.0546 10.7130 10.7130 11.0253 11.0253 12.3575 12.3575 12.6634 12.6634 k = 0.2917 0.5052 0.2913 ( 3396 PWs) bands (ev): -18.8066 -18.8066 -5.6505 -5.6505 -3.8615 -3.8615 -3.6632 -3.6632 -1.5770 -1.5770 -1.4337 -1.4337 -0.2902 -0.2902 -0.2396 -0.2396 -0.1466 -0.1466 0.1657 0.1657 0.3972 0.3972 0.4244 0.4244 0.4764 0.4764 0.5459 0.5459 0.9841 0.9841 1.2507 1.2507 4.3535 4.3535 4.4874 4.4874 5.7264 5.7264 6.5698 6.5698 6.6585 6.6585 7.0986 7.0986 10.6777 10.6777 11.0208 11.0208 12.2858 12.2858 12.6441 12.6441 k = 0.2847 0.4932 0.2913 ( 3388 PWs) bands (ev): -18.8070 -18.8070 -5.6494 -5.6494 -3.8611 -3.8611 -3.6600 -3.6600 -1.5796 -1.5796 -1.4337 -1.4337 -0.2907 -0.2907 -0.2419 -0.2419 -0.1447 -0.1447 0.1609 0.1609 0.3976 0.3976 0.4221 0.4221 0.4753 0.4753 0.5486 0.5486 0.9683 0.9683 1.2540 1.2540 4.3498 4.3498 4.5002 4.5002 5.7479 5.7479 6.6036 6.6036 6.6508 6.6508 7.1418 7.1418 10.6445 10.6445 11.0105 11.0105 12.2142 12.2142 12.6232 12.6232 k = 0.2778 0.4811 0.2913 ( 3392 PWs) bands (ev): -18.8075 -18.8075 -5.6480 -5.6480 -3.8603 -3.8603 -3.6566 -3.6566 -1.5821 -1.5821 -1.4340 -1.4340 -0.2914 -0.2914 -0.2446 -0.2446 -0.1429 -0.1429 0.1553 0.1553 0.3978 0.3978 0.4198 0.4198 0.4743 0.4743 0.5511 0.5511 0.9507 0.9507 1.2566 1.2566 4.3497 4.3497 4.5134 4.5134 5.7725 5.7725 6.6230 6.6230 6.6667 6.6667 7.1836 7.1836 10.6135 10.6135 10.9959 10.9959 12.1436 12.1436 12.5991 12.5991 k = 0.2708 0.4691 0.2913 ( 3392 PWs) bands (ev): -18.8081 -18.8081 -5.6464 -5.6464 -3.8592 -3.8592 -3.6531 -3.6531 -1.5844 -1.5844 -1.4348 -1.4348 -0.2921 -0.2921 -0.2474 -0.2474 -0.1412 -0.1412 0.1488 0.1488 0.3977 0.3977 0.4177 0.4177 0.4736 0.4736 0.5534 0.5534 0.9318 0.9318 1.2581 1.2581 4.3538 4.3538 4.5269 4.5269 5.8003 5.8003 6.6259 6.6259 6.7074 6.7074 7.2240 7.2240 10.5850 10.5850 10.9783 10.9783 12.0745 12.0745 12.5680 12.5680 k = 0.2639 0.4571 0.2913 ( 3392 PWs) bands (ev): -18.8088 -18.8088 -5.6446 -5.6446 -3.8578 -3.8578 -3.6495 -3.6495 -1.5864 -1.5864 -1.4359 -1.4359 -0.2929 -0.2929 -0.2504 -0.2504 -0.1397 -0.1397 0.1416 0.1416 0.3971 0.3971 0.4161 0.4161 0.4732 0.4732 0.5554 0.5554 0.9118 0.9118 1.2582 1.2582 4.3628 4.3628 4.5406 4.5406 5.8315 5.8315 6.6291 6.6291 6.7556 6.7556 7.2625 7.2625 10.5591 10.5591 10.9586 10.9586 12.0075 12.0075 12.5247 12.5247 k = 0.2569 0.4450 0.2913 ( 3388 PWs) bands (ev): -18.8096 -18.8096 -5.6425 -5.6425 -3.8560 -3.8560 -3.6459 -3.6459 -1.5880 -1.5880 -1.4375 -1.4375 -0.2938 -0.2938 -0.2536 -0.2536 -0.1385 -0.1385 0.1337 0.1337 0.3959 0.3959 0.4150 0.4150 0.4731 0.4731 0.5571 0.5571 0.8911 0.8911 1.2566 1.2566 4.3773 4.3773 4.5543 4.5543 5.8660 5.8660 6.6356 6.6356 6.8073 6.8073 7.2989 7.2989 10.5359 10.5359 10.9380 10.9380 11.9432 11.9432 12.4678 12.4678 k = 0.2500 0.4330 0.2913 ( 3388 PWs) bands (ev): -18.8104 -18.8104 -5.6401 -5.6401 -3.8539 -3.8539 -3.6422 -3.6422 -1.5892 -1.5892 -1.4396 -1.4396 -0.2948 -0.2948 -0.2568 -0.2568 -0.1376 -0.1376 0.1252 0.1252 0.3940 0.3940 0.4145 0.4145 0.4732 0.4732 0.5585 0.5585 0.8701 0.8701 1.2530 1.2530 4.3976 4.3976 4.5681 4.5681 5.9041 5.9041 6.6459 6.6459 6.8615 6.8615 7.3329 7.3329 10.5156 10.5156 10.9171 10.9171 11.8821 11.8821 12.4012 12.4012 k = 0.2431 0.4210 0.2913 ( 3392 PWs) bands (ev): -18.8113 -18.8113 -5.6375 -5.6375 -3.8516 -3.8516 -3.6385 -3.6385 -1.5900 -1.5900 -1.4423 -1.4423 -0.2959 -0.2959 -0.2601 -0.2601 -0.1373 -0.1373 0.1160 0.1160 0.3914 0.3914 0.4146 0.4146 0.4734 0.4734 0.5595 0.5595 0.8490 0.8490 1.2473 1.2473 4.4241 4.4241 4.5818 4.5818 5.9457 5.9457 6.6597 6.6597 6.9175 6.9175 7.3644 7.3644 10.4983 10.4983 10.8965 10.8965 11.8246 11.8246 12.3291 12.3291 k = 0.2361 0.4090 0.2913 ( 3400 PWs) bands (ev): -18.8123 -18.8123 -5.6346 -5.6346 -3.8490 -3.8490 -3.6346 -3.6346 -1.5904 -1.5904 -1.4454 -1.4454 -0.2971 -0.2971 -0.2635 -0.2635 -0.1375 -0.1375 0.1064 0.1064 0.3883 0.3883 0.4151 0.4151 0.4738 0.4738 0.5602 0.5602 0.8282 0.8282 1.2393 1.2393 4.4569 4.4569 4.5954 4.5954 5.9909 5.9909 6.6768 6.6768 6.9746 6.9746 7.3931 7.3931 10.4844 10.4844 10.8769 10.8769 11.7713 11.7713 12.2540 12.2540 k = 0.2292 0.3969 0.2913 ( 3392 PWs) bands (ev): -18.8133 -18.8133 -5.6314 -5.6314 -3.8462 -3.8462 -3.6307 -3.6307 -1.5903 -1.5903 -1.4490 -1.4490 -0.2985 -0.2985 -0.2668 -0.2668 -0.1383 -0.1383 0.0963 0.0963 0.3849 0.3849 0.4158 0.4158 0.4741 0.4741 0.5606 0.5606 0.8079 0.8079 1.2291 1.2291 4.4961 4.4961 4.6091 4.6091 6.0399 6.0399 6.6969 6.6969 7.0323 7.0323 7.4188 7.4188 10.4738 10.4738 10.8584 10.8584 11.7224 11.7224 12.1771 12.1771 k = 0.2222 0.3849 0.2913 ( 3396 PWs) bands (ev): -18.8144 -18.8144 -5.6280 -5.6280 -3.8433 -3.8433 -3.6265 -3.6265 -1.5898 -1.5898 -1.4530 -1.4530 -0.2999 -0.2999 -0.2702 -0.2702 -0.1398 -0.1398 0.0859 0.0859 0.3813 0.3813 0.4167 0.4167 0.4743 0.4743 0.5609 0.5609 0.7884 0.7884 1.2167 1.2167 4.5417 4.5417 4.6229 4.6229 6.0925 6.0925 6.7196 6.7196 7.0902 7.0902 7.4415 7.4415 10.4669 10.4669 10.8414 10.8414 11.6784 11.6784 12.0992 12.0992 k = 0.2153 0.3729 0.2913 ( 3384 PWs) bands (ev): -18.8156 -18.8156 -5.6244 -5.6244 -3.8403 -3.8403 -3.6221 -3.6221 -1.5889 -1.5889 -1.4575 -1.4575 -0.3014 -0.3014 -0.2735 -0.2735 -0.1421 -0.1421 0.0753 0.0753 0.3776 0.3776 0.4176 0.4176 0.4740 0.4740 0.5610 0.5610 0.7700 0.7700 1.2021 1.2021 4.5928 4.5928 4.6377 4.6377 6.1488 6.1488 6.7446 6.7446 7.1475 7.1475 7.4611 7.4611 10.4637 10.4637 10.8258 10.8258 11.6396 11.6396 12.0206 12.0206 k = 0.2083 0.3608 0.2913 ( 3384 PWs) bands (ev): -18.8168 -18.8168 -5.6207 -5.6207 -3.8373 -3.8373 -3.6174 -3.6174 -1.5879 -1.5879 -1.4623 -1.4623 -0.3031 -0.3031 -0.2766 -0.2766 -0.1452 -0.1452 0.0645 0.0645 0.3737 0.3737 0.4185 0.4185 0.4731 0.4731 0.5613 0.5613 0.7528 0.7528 1.1855 1.1855 4.6393 4.6393 4.6635 4.6635 6.2086 6.2086 6.7715 6.7715 7.2038 7.2038 7.4778 7.4778 10.4644 10.4644 10.8117 10.8117 11.6062 11.6062 11.9417 11.9417 k = 0.2014 0.3488 0.2913 ( 3384 PWs) bands (ev): -18.8181 -18.8181 -5.6167 -5.6167 -3.8343 -3.8343 -3.6122 -3.6122 -1.5866 -1.5866 -1.4673 -1.4673 -0.3049 -0.3049 -0.2797 -0.2797 -0.1493 -0.1493 0.0537 0.0537 0.3699 0.3699 0.4193 0.4193 0.4713 0.4713 0.5617 0.5617 0.7370 0.7370 1.1671 1.1671 4.6589 4.6589 4.7227 4.7227 6.2718 6.2718 6.8001 6.8001 7.2581 7.2581 7.4918 7.4918 10.4692 10.4692 10.7991 10.7991 11.5784 11.5784 11.8627 11.8627 k = 0.1944 0.3368 0.2913 ( 3384 PWs) bands (ev): -18.8195 -18.8195 -5.6126 -5.6126 -3.8315 -3.8315 -3.6066 -3.6066 -1.5855 -1.5855 -1.4724 -1.4724 -0.3069 -0.3069 -0.2825 -0.2825 -0.1542 -0.1542 0.0431 0.0431 0.3661 0.3661 0.4200 0.4200 0.4687 0.4687 0.5626 0.5626 0.7227 0.7227 1.1470 1.1470 4.6734 4.6734 4.7932 4.7932 6.3383 6.3383 6.8302 6.8302 7.3094 7.3094 7.5038 7.5038 10.4782 10.4782 10.7877 10.7877 11.5561 11.5561 11.7837 11.7837 k = 0.1875 0.3248 0.2913 ( 3388 PWs) bands (ev): -18.8208 -18.8208 -5.6084 -5.6084 -3.8287 -3.8287 -3.6004 -3.6004 -1.5846 -1.5846 -1.4774 -1.4774 -0.3091 -0.3091 -0.2852 -0.2852 -0.1601 -0.1601 0.0326 0.0326 0.3624 0.3624 0.4204 0.4204 0.4651 0.4651 0.5640 0.5640 0.7100 0.7100 1.1255 1.1255 4.6874 4.6874 4.8703 4.8703 6.4078 6.4078 6.8614 6.8614 7.3562 7.3562 7.5150 7.5150 10.4916 10.4916 10.7772 10.7772 11.5394 11.5394 11.7049 11.7049 k = 0.1806 0.3127 0.2913 ( 3380 PWs) bands (ev): -18.8223 -18.8223 -5.6041 -5.6041 -3.8263 -3.8263 -3.5936 -3.5936 -1.5843 -1.5843 -1.4820 -1.4820 -0.3115 -0.3115 -0.2876 -0.2876 -0.1670 -0.1670 0.0223 0.0223 0.3587 0.3587 0.4203 0.4203 0.4608 0.4608 0.5660 0.5660 0.6987 0.6987 1.1028 1.1028 4.7015 4.7015 4.9532 4.9532 6.4800 6.4800 6.8936 6.8936 7.3954 7.3954 7.5280 7.5280 10.5093 10.5093 10.7673 10.7673 11.5279 11.5279 11.6266 11.6266 k = 0.1736 0.3007 0.2913 ( 3384 PWs) bands (ev): -18.8237 -18.8237 -5.5998 -5.5998 -3.8241 -3.8241 -3.5861 -3.5861 -1.5849 -1.5849 -1.4858 -1.4858 -0.3141 -0.3141 -0.2897 -0.2897 -0.1748 -0.1748 0.0124 0.0124 0.3552 0.3552 0.4194 0.4194 0.4563 0.4563 0.5686 0.5686 0.6888 0.6888 1.0792 1.0792 4.7157 4.7157 5.0416 5.0416 6.5548 6.5548 6.9267 6.9267 7.4234 7.4234 7.5464 7.5464 10.5316 10.5316 10.7574 10.7574 11.5189 11.5189 11.5514 11.5514 k = 0.1667 0.2887 0.2913 ( 3388 PWs) bands (ev): -18.8252 -18.8252 -5.5954 -5.5954 -3.8221 -3.8221 -3.5779 -3.5779 -1.5868 -1.5868 -1.4887 -1.4887 -0.3169 -0.3169 -0.2916 -0.2916 -0.1835 -0.1835 0.0028 0.0028 0.3519 0.3519 0.4174 0.4174 0.4520 0.4520 0.5718 0.5718 0.6800 0.6800 1.0549 1.0549 4.7302 4.7302 5.1351 5.1351 6.6318 6.6318 6.9604 6.9604 7.4378 7.4378 7.5722 7.5722 10.5585 10.5585 10.7468 10.7468 11.4663 11.4663 11.5252 11.5252 k = 0.1597 0.2766 0.2913 ( 3392 PWs) bands (ev): -18.8267 -18.8267 -5.5911 -5.5911 -3.8205 -3.8205 -3.5689 -3.5689 -1.5903 -1.5903 -1.4902 -1.4902 -0.3198 -0.3198 -0.2931 -0.2931 -0.1929 -0.1929 -0.0063 -0.0063 0.3487 0.3487 0.4139 0.4139 0.4486 0.4486 0.5753 0.5753 0.6723 0.6723 1.0301 1.0301 4.7449 4.7449 5.2336 5.2336 6.7107 6.7107 6.9949 6.9949 7.4410 7.4410 7.6033 7.6033 10.5898 10.5898 10.7347 10.7347 11.3900 11.3900 11.5280 11.5280 k = 0.1528 0.2646 0.2913 ( 3382 PWs) bands (ev): -18.8282 -18.8282 -5.5868 -5.5868 -3.8193 -3.8193 -3.5592 -3.5592 -1.5955 -1.5955 -1.4904 -1.4904 -0.3228 -0.3228 -0.2945 -0.2945 -0.2031 -0.2031 -0.0151 -0.0151 0.3457 0.3457 0.4090 0.4090 0.4462 0.4462 0.5793 0.5793 0.6654 0.6654 1.0051 1.0051 4.7598 4.7598 5.3365 5.3365 6.7910 6.7910 7.0300 7.0300 7.4365 7.4365 7.6359 7.6359 10.6256 10.6256 10.7201 10.7201 11.3134 11.3134 11.5363 11.5363 k = 0.1458 0.2526 0.2913 ( 3382 PWs) bands (ev): -18.8297 -18.8297 -5.5826 -5.5826 -3.8183 -3.8183 -3.5487 -3.5487 -1.6023 -1.6023 -1.4891 -1.4891 -0.3259 -0.3259 -0.2957 -0.2957 -0.2137 -0.2137 -0.0236 -0.0236 0.3430 0.3430 0.4029 0.4029 0.4448 0.4448 0.5835 0.5835 0.6592 0.6592 0.9801 0.9801 4.7750 4.7750 5.4437 5.4437 6.8723 6.8723 7.0658 7.0658 7.4271 7.4271 7.6677 7.6677 10.6656 10.6656 10.7020 10.7020 11.2375 11.2375 11.5493 11.5493 k = 0.1389 0.2406 0.2913 ( 3382 PWs) bands (ev): -18.8312 -18.8312 -5.5785 -5.5785 -3.8177 -3.8177 -3.5376 -3.5376 -1.6107 -1.6107 -1.4867 -1.4867 -0.3291 -0.3291 -0.2967 -0.2967 -0.2248 -0.2248 -0.0317 -0.0317 0.3404 0.3404 0.3962 0.3962 0.4440 0.4440 0.5878 0.5878 0.6535 0.6535 0.9554 0.9554 4.7903 4.7903 5.5549 5.5549 6.9538 6.9538 7.1027 7.1027 7.4141 7.4141 7.6973 7.6973 10.6778 10.6778 10.7112 10.7112 11.1627 11.1627 11.5666 11.5666 k = 0.1319 0.2285 0.2913 ( 3380 PWs) bands (ev): -18.8327 -18.8327 -5.5746 -5.5746 -3.8173 -3.8173 -3.5257 -3.5257 -1.6203 -1.6203 -1.4833 -1.4833 -0.3322 -0.3322 -0.2976 -0.2976 -0.2360 -0.2360 -0.0395 -0.0395 0.3381 0.3381 0.3892 0.3892 0.4436 0.4436 0.5923 0.5923 0.6482 0.6482 0.9311 0.9311 4.8057 4.8057 5.6696 5.6696 7.0344 7.0344 7.1413 7.1413 7.3986 7.3986 7.7241 7.7241 10.6494 10.6494 10.7593 10.7593 11.0892 11.0892 11.5882 11.5882 k = 0.1250 0.2165 0.2913 ( 3388 PWs) bands (ev): -18.8342 -18.8342 -5.5707 -5.5707 -3.8172 -3.8172 -3.5133 -3.5133 -1.6309 -1.6309 -1.4792 -1.4792 -0.3353 -0.3353 -0.2986 -0.2986 -0.2471 -0.2471 -0.0470 -0.0470 0.3361 0.3361 0.3824 0.3824 0.4433 0.4433 0.5968 0.5968 0.6431 0.6431 0.9075 0.9075 4.8211 4.8211 5.7875 5.7875 7.1114 7.1114 7.1837 7.1837 7.3815 7.3815 7.7480 7.7480 10.6143 10.6143 10.8111 10.8111 11.0176 11.0176 11.6136 11.6136 k = 0.1181 0.2045 0.2913 ( 3384 PWs) bands (ev): -18.8356 -18.8356 -5.5671 -5.5671 -3.8173 -3.8173 -3.5004 -3.5004 -1.6424 -1.6424 -1.4746 -1.4746 -0.3384 -0.3384 -0.2997 -0.2997 -0.2579 -0.2579 -0.0542 -0.0542 0.3344 0.3344 0.3758 0.3758 0.4429 0.4429 0.6012 0.6012 0.6382 0.6382 0.8847 0.8847 4.8364 4.8364 5.9083 5.9083 7.1780 7.1780 7.2359 7.2359 7.3634 7.3634 7.7689 7.7689 10.5723 10.5723 10.8646 10.8646 10.9499 10.9499 11.6418 11.6418 k = 0.1111 0.1925 0.2913 ( 3384 PWs) bands (ev): -18.8370 -18.8370 -5.5637 -5.5637 -3.8176 -3.8176 -3.4871 -3.4871 -1.6544 -1.6544 -1.4697 -1.4697 -0.3414 -0.3414 -0.3015 -0.3015 -0.2678 -0.2678 -0.0613 -0.0613 0.3329 0.3329 0.3697 0.3697 0.4423 0.4423 0.6055 0.6055 0.6334 0.6334 0.8631 0.8631 4.8516 4.8516 6.0315 6.0315 7.2291 7.2291 7.3001 7.3001 7.3477 7.3477 7.7868 7.7868 10.5234 10.5234 10.8718 10.8718 10.9338 10.9338 11.6712 11.6712 k = 0.1042 0.1804 0.2913 ( 3376 PWs) bands (ev): -18.8384 -18.8384 -5.5604 -5.5604 -3.8181 -3.8181 -3.4735 -3.4735 -1.6668 -1.6668 -1.4646 -1.4646 -0.3443 -0.3443 -0.3044 -0.3044 -0.2761 -0.2761 -0.0681 -0.0681 0.3318 0.3318 0.3640 0.3640 0.4415 0.4415 0.6095 0.6095 0.6287 0.6287 0.8426 0.8426 4.8665 4.8665 6.1566 6.1566 7.2710 7.2710 7.3208 7.3208 7.3830 7.3830 7.8019 7.8019 10.4676 10.4676 10.8110 10.8110 10.9909 10.9909 11.6994 11.6994 k = 0.0972 0.1684 0.2913 ( 3380 PWs) bands (ev): -18.8397 -18.8397 -5.5574 -5.5574 -3.8187 -3.8187 -3.4597 -3.4597 -1.6794 -1.6794 -1.4594 -1.4594 -0.3471 -0.3471 -0.3093 -0.3093 -0.2819 -0.2819 -0.0746 -0.0746 0.3309 0.3309 0.3590 0.3590 0.4403 0.4403 0.6129 0.6129 0.6243 0.6243 0.8236 0.8236 4.8810 4.8810 6.2829 6.2829 7.2939 7.2939 7.3223 7.3223 7.4554 7.4554 7.8145 7.8145 10.4051 10.4051 10.7502 10.7502 11.0530 11.0530 11.7244 11.7244 k = 0.0903 0.1564 0.2913 ( 3382 PWs) bands (ev): -18.8410 -18.8410 -5.5546 -5.5546 -3.8193 -3.8193 -3.4460 -3.4460 -1.6920 -1.6920 -1.4543 -1.4543 -0.3497 -0.3497 -0.3163 -0.3163 -0.2851 -0.2851 -0.0810 -0.0810 0.3304 0.3304 0.3545 0.3545 0.4387 0.4387 0.6142 0.6142 0.6218 0.6218 0.8061 0.8061 4.8951 4.8951 6.4095 6.4095 7.2812 7.2812 7.3585 7.3585 7.5270 7.5270 7.8248 7.8248 10.3361 10.3361 10.6928 10.6928 11.1161 11.1161 11.7454 11.7454 k = 0.0833 0.1443 0.2913 ( 3378 PWs) bands (ev): -18.8422 -18.8422 -5.5520 -5.5520 -3.8200 -3.8200 -3.4323 -3.4323 -1.7046 -1.7046 -1.4494 -1.4494 -0.3522 -0.3522 -0.3244 -0.3244 -0.2865 -0.2865 -0.0871 -0.0871 0.3301 0.3301 0.3506 0.3506 0.4365 0.4365 0.6114 0.6114 0.6233 0.6233 0.7903 0.7903 4.9085 4.9085 6.5352 6.5352 7.2668 7.2668 7.3989 7.3989 7.5953 7.5953 7.8331 7.8331 10.2607 10.2607 10.6399 10.6399 11.1786 11.1786 11.7623 11.7623 k = 0.0764 0.1323 0.2913 ( 3380 PWs) bands (ev): -18.8433 -18.8433 -5.5497 -5.5497 -3.8208 -3.8208 -3.4189 -3.4189 -1.7168 -1.7168 -1.4446 -1.4446 -0.3546 -0.3546 -0.3328 -0.3328 -0.2868 -0.2868 -0.0929 -0.0929 0.3301 0.3301 0.3475 0.3475 0.4338 0.4338 0.6069 0.6069 0.6262 0.6262 0.7762 0.7762 4.9213 4.9213 6.6577 6.6577 7.2562 7.2562 7.4401 7.4401 7.6590 7.6590 7.8396 7.8396 10.1794 10.1794 10.5921 10.5921 11.2388 11.2388 11.7754 11.7754 k = 0.0694 0.1203 0.2913 ( 3376 PWs) bands (ev): -18.8444 -18.8444 -5.5476 -5.5476 -3.8215 -3.8215 -3.4060 -3.4060 -1.7287 -1.7287 -1.4401 -1.4401 -0.3568 -0.3568 -0.3410 -0.3410 -0.2866 -0.2866 -0.0985 -0.0985 0.3301 0.3301 0.3451 0.3451 0.4305 0.4305 0.6021 0.6021 0.6291 0.6291 0.7637 0.7637 4.9333 4.9333 6.7734 6.7734 7.2532 7.2532 7.4818 7.4818 7.7169 7.7169 7.8446 7.8446 10.0926 10.0926 10.5500 10.5500 11.2944 11.2944 11.7741 11.7742 k = 0.0625 0.1083 0.2913 ( 3372 PWs) bands (ev): -18.8453 -18.8453 -5.5457 -5.5457 -3.8222 -3.8222 -3.3936 -3.3936 -1.7400 -1.7400 -1.4360 -1.4360 -0.3588 -0.3588 -0.3487 -0.3487 -0.2861 -0.2861 -0.1037 -0.1037 0.3301 0.3301 0.3437 0.3437 0.4266 0.4266 0.5975 0.5975 0.6318 0.6318 0.7530 0.7530 4.9444 4.9444 6.8752 6.8752 7.2645 7.2645 7.5237 7.5237 7.7682 7.7682 7.8486 7.8486 10.0009 10.0009 10.5141 10.5141 11.3430 11.3430 11.7138 11.7138 k = 0.0556 0.0962 0.2913 ( 3378 PWs) bands (ev): -18.8462 -18.8462 -5.5440 -5.5440 -3.8229 -3.8229 -3.3820 -3.3820 -1.7506 -1.7506 -1.4322 -1.4322 -0.3609 -0.3609 -0.3556 -0.3556 -0.2854 -0.2854 -0.1085 -0.1085 0.3299 0.3299 0.3434 0.3434 0.4220 0.4220 0.5931 0.5931 0.6343 0.6343 0.7438 0.7438 4.9545 4.9545 6.9526 6.9526 7.2997 7.2997 7.5657 7.5657 7.8120 7.8120 7.8518 7.8518 9.9052 9.9052 10.4847 10.4847 11.3822 11.3822 11.6507 11.6507 k = 0.0486 0.0842 0.2913 ( 3376 PWs) bands (ev): -18.8470 -18.8470 -5.5425 -5.5425 -3.8236 -3.8236 -3.3713 -3.3713 -1.7603 -1.7603 -1.4287 -1.4287 -0.3640 -0.3640 -0.3606 -0.3606 -0.2845 -0.2845 -0.1130 -0.1130 0.3293 0.3293 0.3443 0.3443 0.4170 0.4170 0.5891 0.5891 0.6365 0.6365 0.7360 0.7360 4.9636 4.9636 6.9988 6.9988 7.3645 7.3645 7.6074 7.6074 7.8457 7.8457 7.8566 7.8566 9.8072 9.8072 10.4618 10.4618 11.4098 11.4098 11.5923 11.5923 k = 0.0417 0.0722 0.2913 ( 3380 PWs) bands (ev): -18.8477 -18.8477 -5.5413 -5.5413 -3.8242 -3.8242 -3.3617 -3.3617 -1.7690 -1.7690 -1.4257 -1.4257 -0.3689 -0.3689 -0.3628 -0.3628 -0.2836 -0.2836 -0.1169 -0.1169 0.3285 0.3285 0.3462 0.3462 0.4114 0.4114 0.5856 0.5856 0.6384 0.6384 0.7297 0.7297 4.9717 4.9717 7.0198 7.0198 7.4513 7.4513 7.6484 7.6484 7.8544 7.8544 7.8778 7.8778 9.7085 9.7085 10.4452 10.4452 11.4250 11.4250 11.5407 11.5407 k = 0.0347 0.0601 0.2913 ( 3380 PWs) bands (ev): -18.8483 -18.8483 -5.5403 -5.5403 -3.8247 -3.8247 -3.3533 -3.3533 -1.7767 -1.7767 -1.4231 -1.4231 -0.3736 -0.3736 -0.3641 -0.3641 -0.2828 -0.2828 -0.1204 -0.1204 0.3277 0.3277 0.3489 0.3489 0.4056 0.4056 0.5826 0.5826 0.6400 0.6400 0.7245 0.7245 4.9785 4.9785 7.0269 7.0269 7.5462 7.5462 7.6881 7.6881 7.8570 7.8570 7.8970 7.8970 9.6121 9.6121 10.4343 10.4343 11.4284 11.4284 11.4971 11.4971 k = 0.0278 0.0481 0.2913 ( 3388 PWs) bands (ev): -18.8488 -18.8488 -5.5394 -5.5394 -3.8251 -3.8251 -3.3462 -3.3462 -1.7831 -1.7831 -1.4210 -1.4210 -0.3776 -0.3776 -0.3652 -0.3652 -0.2820 -0.2820 -0.1233 -0.1233 0.3270 0.3270 0.3523 0.3523 0.3996 0.3996 0.5801 0.5801 0.6413 0.6413 0.7205 0.7205 4.9842 4.9842 7.0277 7.0277 7.6378 7.6378 7.7259 7.7259 7.8600 7.8600 7.9088 7.9088 9.5213 9.5213 10.4282 10.4282 11.4219 11.4219 11.4630 11.4630 k = 0.0208 0.0361 0.2913 ( 3392 PWs) bands (ev): -18.8492 -18.8492 -5.5388 -5.5388 -3.8255 -3.8255 -3.3405 -3.3405 -1.7882 -1.7882 -1.4193 -1.4193 -0.3808 -0.3808 -0.3659 -0.3659 -0.2813 -0.2813 -0.1257 -0.1257 0.3264 0.3264 0.3562 0.3562 0.3935 0.3935 0.5782 0.5782 0.6423 0.6423 0.7175 0.7175 4.9887 4.9887 7.0262 7.0262 7.7168 7.7168 7.7605 7.7605 7.8644 7.8644 7.9146 7.9146 9.4408 9.4408 10.4257 10.4257 11.4083 11.4083 11.4394 11.4394 k = 0.0139 0.0241 0.2913 ( 3398 PWs) bands (ev): -18.8495 -18.8495 -5.5383 -5.5383 -3.8257 -3.8257 -3.3364 -3.3364 -1.7919 -1.7919 -1.4181 -1.4181 -0.3830 -0.3830 -0.3665 -0.3665 -0.2808 -0.2808 -0.1274 -0.1274 0.3259 0.3259 0.3603 0.3603 0.3879 0.3879 0.5768 0.5768 0.6430 0.6430 0.7154 0.7154 4.9919 4.9919 7.0241 7.0241 7.7747 7.7747 7.7892 7.7892 7.8700 7.8700 7.9183 7.9183 9.3764 9.3764 10.4252 10.4252 11.3933 11.3933 11.4245 11.4245 k = 0.0069 0.0120 0.2913 ( 3406 PWs) bands (ev): -18.8496 -18.8496 -5.5380 -5.5380 -3.8258 -3.8258 -3.3340 -3.3340 -1.7942 -1.7942 -1.4174 -1.4174 -0.3844 -0.3844 -0.3668 -0.3668 -0.2805 -0.2805 -0.1284 -0.1284 0.3256 0.3256 0.3641 0.3641 0.3831 0.3831 0.5760 0.5760 0.6434 0.6434 0.7141 0.7141 4.9938 4.9938 7.0226 7.0226 7.8062 7.8062 7.8105 7.8105 7.8714 7.8714 7.9253 7.9253 9.3342 9.3342 10.4255 10.4255 11.3826 11.3826 11.4159 11.4159 k = 0.0000 0.0000 0.2913 ( 3400 PWs) bands (ev): -18.8497 -18.8497 -5.5380 -5.5380 -3.8259 -3.8259 -3.3331 -3.3331 -1.7949 -1.7949 -1.4171 -1.4171 -0.3849 -0.3849 -0.3669 -0.3669 -0.2804 -0.2804 -0.1287 -0.1287 0.3255 0.3255 0.3659 0.3659 0.3809 0.3809 0.5758 0.5758 0.6435 0.6435 0.7137 0.7137 4.9944 4.9944 7.0220 7.0220 7.8121 7.8121 7.8233 7.8233 7.8691 7.8691 7.9301 7.9301 9.3194 9.3194 10.4257 10.4257 11.3788 11.3788 11.4130 11.4130 k = 0.5000 0.2887 0.2913 ( 3376 PWs) bands (ev): -18.8104 -18.8104 -5.6503 -5.6503 -3.9097 -3.9097 -3.5390 -3.5390 -1.6871 -1.6871 -1.3999 -1.3999 -0.2835 -0.2835 -0.2617 -0.2617 -0.1102 -0.1102 0.1328 0.1328 0.3790 0.3790 0.3999 0.3999 0.4537 0.4537 0.6202 0.6202 0.9799 0.9799 1.1444 1.1444 4.2481 4.2481 4.2979 4.2979 6.1163 6.1163 6.3257 6.3257 7.7614 7.7614 7.8583 7.8583 9.6312 9.6312 10.7034 10.7034 10.9239 10.9239 11.8873 11.8873 k = 0.5000 0.2887 0.2774 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6503 -5.6503 -3.9098 -3.9098 -3.5390 -3.5390 -1.6869 -1.6869 -1.3997 -1.3997 -0.2835 -0.2835 -0.2618 -0.2618 -0.1100 -0.1100 0.1327 0.1327 0.3790 0.3790 0.3998 0.3998 0.4539 0.4539 0.6201 0.6201 0.9799 0.9799 1.1439 1.1439 4.2383 4.2383 4.3074 4.3074 6.1193 6.1193 6.3272 6.3272 7.7562 7.7562 7.8530 7.8530 9.6345 9.6345 10.7075 10.7075 10.9275 10.9275 11.8879 11.8879 k = 0.5000 0.2887 0.2635 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6503 -5.6503 -3.9100 -3.9100 -3.5390 -3.5390 -1.6865 -1.6865 -1.3990 -1.3990 -0.2834 -0.2834 -0.2621 -0.2621 -0.1094 -0.1094 0.1322 0.1322 0.3791 0.3791 0.3995 0.3995 0.4543 0.4543 0.6197 0.6197 0.9799 0.9799 1.1427 1.1427 4.2181 4.2181 4.3267 4.3267 6.1280 6.1280 6.3318 6.3318 7.7399 7.7399 7.8384 7.8384 9.6437 9.6437 10.7203 10.7203 10.9380 10.9380 11.8896 11.8896 k = 0.5000 0.2887 0.2496 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6504 -5.6504 -3.9103 -3.9103 -3.5389 -3.5389 -1.6858 -1.6858 -1.3979 -1.3979 -0.2834 -0.2834 -0.2625 -0.2625 -0.1084 -0.1084 0.1313 0.1313 0.3791 0.3791 0.3991 0.3991 0.4551 0.4551 0.6191 0.6191 0.9799 0.9799 1.1407 1.1407 4.1945 4.1945 4.3492 4.3492 6.1423 6.1423 6.3394 6.3394 7.7113 7.7113 7.8174 7.8174 9.6569 9.6569 10.7430 10.7430 10.9547 10.9547 11.8922 11.8922 k = 0.5000 0.2887 0.2358 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6504 -5.6504 -3.9107 -3.9107 -3.5389 -3.5389 -1.6848 -1.6848 -1.3963 -1.3963 -0.2834 -0.2834 -0.2630 -0.2630 -0.1069 -0.1069 0.1302 0.1302 0.3792 0.3792 0.3984 0.3984 0.4561 0.4561 0.6183 0.6183 0.9800 0.9800 1.1379 1.1379 4.1691 4.1691 4.3733 4.3733 6.1616 6.1616 6.3500 6.3500 7.6694 7.6694 7.7927 7.7927 9.6718 9.6718 10.7773 10.7773 10.9766 10.9766 11.8956 11.8956 k = 0.5000 0.2887 0.2219 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6505 -5.6505 -3.9112 -3.9112 -3.5389 -3.5389 -1.6836 -1.6836 -1.3943 -1.3943 -0.2835 -0.2835 -0.2637 -0.2637 -0.1052 -0.1052 0.1287 0.1287 0.3793 0.3793 0.3977 0.3977 0.4574 0.4574 0.6174 0.6174 0.9800 0.9800 1.1345 1.1345 4.1424 4.1424 4.3990 4.3990 6.1854 6.1854 6.3636 6.3636 7.6155 7.6155 7.7657 7.7657 9.6857 9.6857 10.8245 10.8245 11.0025 11.0025 11.8995 11.8995 k = 0.5000 0.2887 0.2080 ( 3374 PWs) bands (ev): -18.8104 -18.8104 -5.6506 -5.6506 -3.9119 -3.9119 -3.5388 -3.5388 -1.6822 -1.6822 -1.3920 -1.3920 -0.2836 -0.2836 -0.2644 -0.2644 -0.1031 -0.1031 0.1270 0.1270 0.3792 0.3792 0.3970 0.3970 0.4588 0.4588 0.6162 0.6162 0.9800 0.9800 1.1305 1.1305 4.1147 4.1147 4.4262 4.4262 6.2128 6.2128 6.3802 6.3802 7.5521 7.5521 7.7364 7.7364 9.6969 9.6969 10.8854 10.8854 11.0315 11.0315 11.9034 11.9034 k = 0.5000 0.2887 0.1942 ( 3386 PWs) bands (ev): -18.8104 -18.8104 -5.6507 -5.6507 -3.9126 -3.9126 -3.5388 -3.5388 -1.6807 -1.6807 -1.3892 -1.3892 -0.2837 -0.2837 -0.2651 -0.2651 -0.1007 -0.1007 0.1250 0.1250 0.3791 0.3791 0.3963 0.3963 0.4605 0.4605 0.6149 0.6149 0.9800 0.9800 1.1260 1.1260 4.0864 4.0864 4.4549 4.4549 6.2431 6.2431 6.3996 6.3996 7.4817 7.4817 7.7048 7.7048 9.7040 9.7040 10.9597 10.9597 11.0630 11.0630 11.9071 11.9071 k = 0.5000 0.2887 0.1803 ( 3390 PWs) bands (ev): -18.8104 -18.8104 -5.6509 -5.6509 -3.9133 -3.9133 -3.5387 -3.5387 -1.6791 -1.6791 -1.3861 -1.3861 -0.2840 -0.2840 -0.2658 -0.2658 -0.0981 -0.0981 0.1228 0.1228 0.3788 0.3788 0.3957 0.3957 0.4622 0.4622 0.6135 0.6135 0.9799 0.9799 1.1213 1.1213 4.0578 4.0578 4.4852 4.4852 6.2756 6.2756 6.4218 6.4218 7.4069 7.4069 7.6706 7.6706 9.7067 9.7067 11.0453 11.0453 11.0975 11.0975 11.9104 11.9104 k = 0.5000 0.2887 0.1664 ( 3392 PWs) bands (ev): -18.8104 -18.8104 -5.6510 -5.6510 -3.9141 -3.9141 -3.5386 -3.5386 -1.6774 -1.6774 -1.3828 -1.3828 -0.2845 -0.2845 -0.2664 -0.2664 -0.0953 -0.0953 0.1204 0.1204 0.3783 0.3783 0.3952 0.3952 0.4641 0.4641 0.6119 0.6119 0.9799 0.9799 1.1162 1.1162 4.0295 4.0295 4.5167 4.5167 6.3092 6.3092 6.4466 6.4466 7.3296 7.3296 7.6341 7.6341 9.7055 9.7055 11.1203 11.1203 11.1546 11.1546 11.9134 11.9134 k = 0.5000 0.2887 0.1526 ( 3388 PWs) bands (ev): -18.8104 -18.8104 -5.6511 -5.6511 -3.9149 -3.9149 -3.5386 -3.5386 -1.6758 -1.6758 -1.3792 -1.3792 -0.2851 -0.2851 -0.2669 -0.2669 -0.0923 -0.0923 0.1179 0.1179 0.3776 0.3776 0.3949 0.3949 0.4660 0.4660 0.6103 0.6103 0.9797 0.9797 1.1111 1.1111 4.0016 4.0016 4.5494 4.5494 6.3434 6.3434 6.4739 6.4739 7.2515 7.2515 7.5955 7.5955 9.7009 9.7009 11.1594 11.1594 11.2568 11.2568 11.9166 11.9166 k = 0.5000 0.2887 0.1387 ( 3396 PWs) bands (ev): -18.8104 -18.8104 -5.6513 -5.6513 -3.9158 -3.9158 -3.5385 -3.5385 -1.6742 -1.6742 -1.3755 -1.3755 -0.2859 -0.2859 -0.2672 -0.2672 -0.0893 -0.0893 0.1153 0.1153 0.3767 0.3767 0.3949 0.3949 0.4679 0.4679 0.6087 0.6087 0.9795 0.9795 1.1060 1.1060 3.9747 3.9747 4.5827 4.5827 6.3774 6.3774 6.5033 6.5033 7.1740 7.1740 7.5552 7.5552 9.6938 9.6938 11.1950 11.1950 11.3677 11.3677 11.9221 11.9221 k = 0.5000 0.2887 0.1248 ( 3392 PWs) bands (ev): -18.8104 -18.8104 -5.6514 -5.6514 -3.9166 -3.9166 -3.5384 -3.5384 -1.6727 -1.6727 -1.3717 -1.3717 -0.2868 -0.2868 -0.2674 -0.2674 -0.0862 -0.0862 0.1127 0.1127 0.3756 0.3756 0.3949 0.3949 0.4698 0.4698 0.6071 0.6071 0.9792 0.9792 1.1011 1.1011 3.9492 3.9492 4.6163 4.6163 6.4107 6.4107 6.5343 6.5343 7.0985 7.0985 7.5138 7.5138 9.6850 9.6850 11.2304 11.2304 11.4776 11.4776 11.9343 11.9343 k = 0.5000 0.2887 0.1110 ( 3394 PWs) bands (ev): -18.8104 -18.8104 -5.6515 -5.6515 -3.9174 -3.9174 -3.5384 -3.5384 -1.6713 -1.6713 -1.3680 -1.3680 -0.2878 -0.2878 -0.2675 -0.2675 -0.0832 -0.0832 0.1100 0.1100 0.3744 0.3744 0.3952 0.3952 0.4716 0.4716 0.6055 0.6055 0.9789 0.9789 1.0965 1.0965 3.9253 3.9253 4.6496 4.6496 6.4428 6.4428 6.5663 6.5663 7.0261 7.0261 7.4718 7.4718 9.6754 9.6754 11.2659 11.2659 11.5749 11.5749 11.9633 11.9633 k = 0.5000 0.2887 0.0971 ( 3400 PWs) bands (ev): -18.8104 -18.8104 -5.6517 -5.6517 -3.9181 -3.9181 -3.5383 -3.5383 -1.6700 -1.6700 -1.3644 -1.3644 -0.2888 -0.2888 -0.2675 -0.2675 -0.0803 -0.0803 0.1075 0.1075 0.3732 0.3732 0.3955 0.3955 0.4733 0.4733 0.6040 0.6040 0.9785 0.9785 1.0921 1.0921 3.9035 3.9035 4.6819 4.6819 6.4733 6.4733 6.5988 6.5988 6.9582 6.9582 7.4299 7.4299 9.6655 9.6655 11.3014 11.3014 11.6434 11.6434 12.0240 12.0240 k = 0.5000 0.2887 0.0832 ( 3400 PWs) bands (ev): -18.8104 -18.8104 -5.6518 -5.6518 -3.9188 -3.9188 -3.5382 -3.5382 -1.6689 -1.6689 -1.3610 -1.3610 -0.2898 -0.2898 -0.2674 -0.2674 -0.0776 -0.0776 0.1051 0.1051 0.3721 0.3721 0.3958 0.3958 0.4748 0.4748 0.6027 0.6027 0.9781 0.9781 1.0883 1.0883 3.8840 3.8840 4.7125 4.7125 6.5018 6.5018 6.6307 6.6307 6.8957 6.8957 7.3888 7.3888 9.6560 9.6560 11.3371 11.3371 11.6757 11.6757 12.1231 12.1231 k = 0.5000 0.2887 0.0693 ( 3396 PWs) bands (ev): -18.8104 -18.8104 -5.6519 -5.6519 -3.9194 -3.9194 -3.5382 -3.5382 -1.6679 -1.6679 -1.3579 -1.3579 -0.2907 -0.2907 -0.2673 -0.2673 -0.0751 -0.0751 0.1029 0.1029 0.3710 0.3710 0.3962 0.3962 0.4762 0.4762 0.6014 0.6014 0.9777 0.9777 1.0849 1.0849 3.8671 3.8671 4.7405 4.7405 6.5280 6.5280 6.6611 6.6611 6.8399 6.8399 7.3496 7.3496 9.6473 9.6473 11.3727 11.3727 11.6807 11.6807 12.2511 12.2511 k = 0.5000 0.2887 0.0555 ( 3398 PWs) bands (ev): -18.8104 -18.8104 -5.6520 -5.6520 -3.9199 -3.9199 -3.5381 -3.5381 -1.6671 -1.6671 -1.3553 -1.3553 -0.2916 -0.2916 -0.2672 -0.2672 -0.0730 -0.0730 0.1010 0.1010 0.3700 0.3700 0.3965 0.3965 0.4774 0.4774 0.6004 0.6004 0.9773 0.9773 1.0821 1.0821 3.8529 3.8529 4.7650 4.7650 6.5517 6.5517 6.6879 6.6879 6.7926 6.7926 7.3136 7.3136 9.6398 9.6398 11.4081 11.4081 11.6700 11.6700 12.3960 12.3960 k = 0.5000 0.2887 0.0416 ( 3394 PWs) bands (ev): -18.8104 -18.8104 -5.6520 -5.6520 -3.9204 -3.9204 -3.5381 -3.5381 -1.6665 -1.6665 -1.3531 -1.3531 -0.2923 -0.2923 -0.2671 -0.2671 -0.0713 -0.0713 0.0994 0.0994 0.3693 0.3693 0.3968 0.3968 0.4784 0.4784 0.5995 0.5995 0.9769 0.9769 1.0799 1.0799 3.8417 3.8417 4.7852 4.7852 6.5728 6.5728 6.7052 6.7052 6.7591 6.7591 7.2822 7.2822 9.6336 9.6336 11.4429 11.4429 11.6505 11.6505 12.5500 12.5500 k = 0.5000 0.2887 0.0277 ( 3398 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9207 -3.9207 -3.5381 -3.5381 -1.6661 -1.6661 -1.3515 -1.3515 -0.2928 -0.2928 -0.2670 -0.2670 -0.0700 -0.0700 0.0982 0.0982 0.3687 0.3687 0.3970 0.3970 0.4791 0.4791 0.5989 0.5989 0.9766 0.9766 1.0784 1.0784 3.8336 3.8336 4.8003 4.8003 6.5910 6.5910 6.6977 6.6977 6.7535 6.7535 7.2574 7.2574 9.6291 9.6291 11.4760 11.4760 11.6267 11.6267 12.7074 12.7074 k = 0.5000 0.2887 0.0139 ( 3398 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9208 -3.9208 -3.5381 -3.5381 -1.6658 -1.6658 -1.3506 -1.3506 -0.2931 -0.2931 -0.2670 -0.2670 -0.0692 -0.0692 0.0975 0.0975 0.3683 0.3683 0.3971 0.3971 0.4795 0.4795 0.5985 0.5985 0.9764 0.9764 1.0774 1.0774 3.8287 3.8287 4.8097 4.8097 6.6056 6.6056 6.6793 6.6793 6.7614 6.7614 7.2414 7.2414 9.6263 9.6263 11.5049 11.5049 11.6029 11.6029 12.8572 12.8572 k = 0.5000 0.2887-0.0000 ( 3406 PWs) bands (ev): -18.8104 -18.8104 -5.6521 -5.6521 -3.9209 -3.9209 -3.5381 -3.5381 -1.6657 -1.6657 -1.3502 -1.3502 -0.2932 -0.2932 -0.2669 -0.2669 -0.0689 -0.0689 0.0973 0.0973 0.3682 0.3682 0.3971 0.3971 0.4797 0.4797 0.5984 0.5984 0.9764 0.9764 1.0771 1.0771 3.8271 3.8271 4.8129 4.8129 6.6120 6.6120 6.6708 6.6708 6.7650 6.7650 7.2358 7.2358 9.6254 9.6254 11.5189 11.5189 11.5905 11.5905 12.9429 12.9429 k = 0.3333 0.5774-0.0000 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8706 -3.8706 -3.6785 -3.6785 -1.5431 -1.5431 -1.4007 -1.4007 -0.3089 -0.3089 -0.2322 -0.2322 -0.1629 -0.1629 0.1838 0.1838 0.3924 0.3924 0.4370 0.4370 0.4767 0.4767 0.5460 0.5460 1.0641 1.0641 1.2604 1.2604 4.2641 4.2641 4.2770 4.2770 5.1496 5.1496 6.8847 6.8847 6.9786 6.9786 7.1924 7.1924 11.4061 11.4061 11.4216 11.4216 11.9650 11.9650 11.9792 11.9792 k = 0.3333 0.5774 0.0139 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8706 -3.8706 -3.6784 -3.6784 -1.5432 -1.5432 -1.4009 -1.4009 -0.3088 -0.3088 -0.2322 -0.2322 -0.1628 -0.1628 0.1838 0.1838 0.3925 0.3925 0.4370 0.4370 0.4767 0.4767 0.5459 0.5459 1.0639 1.0639 1.2603 1.2603 4.2651 4.2651 4.2777 4.2777 5.1515 5.1515 6.8844 6.8844 6.9778 6.9778 7.1891 7.1891 11.4002 11.4002 11.4152 11.4152 11.9726 11.9726 11.9868 11.9868 k = 0.3333 0.5774 0.0277 ( 3363 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8704 -3.8704 -3.6784 -3.6784 -1.5436 -1.5436 -1.4015 -1.4015 -0.3085 -0.3085 -0.2322 -0.2322 -0.1627 -0.1627 0.1837 0.1837 0.3925 0.3925 0.4370 0.4370 0.4768 0.4768 0.5457 0.5457 1.0633 1.0633 1.2599 1.2599 4.2678 4.2678 4.2796 4.2796 5.1573 5.1573 6.8835 6.8835 6.9755 6.9755 7.1794 7.1794 11.3834 11.3834 11.3968 11.3968 11.9944 11.9944 12.0084 12.0084 k = 0.3333 0.5774 0.0416 ( 3363 PWs) bands (ev): -18.8054 -18.8054 -5.6545 -5.6545 -3.8702 -3.8702 -3.6783 -3.6783 -1.5443 -1.5443 -1.4025 -1.4025 -0.3080 -0.3080 -0.2322 -0.2322 -0.1624 -0.1624 0.1836 0.1836 0.3926 0.3926 0.4369 0.4369 0.4770 0.4770 0.5453 0.5453 1.0623 1.0623 1.2593 1.2593 4.2723 4.2723 4.2828 4.2828 5.1670 5.1670 6.8820 6.8820 6.9717 6.9717 7.1634 7.1634 11.3581 11.3581 11.3693 11.3693 12.0278 12.0278 12.0410 12.0410 k = 0.3333 0.5774 0.0555 ( 3354 PWs) bands (ev): -18.8054 -18.8054 -5.6544 -5.6544 -3.8698 -3.8698 -3.6781 -3.6781 -1.5451 -1.5451 -1.4038 -1.4038 -0.3073 -0.3073 -0.2322 -0.2322 -0.1620 -0.1620 0.1834 0.1834 0.3927 0.3927 0.4368 0.4368 0.4772 0.4772 0.5448 0.5448 1.0610 1.0610 1.2584 1.2584 4.2786 4.2786 4.2871 4.2871 5.1804 5.1804 6.8799 6.8799 6.9665 6.9665 7.1414 7.1414 11.3271 11.3271 11.3354 11.3354 12.0699 12.0699 12.0806 12.0806 k = 0.3333 0.5774 0.0693 ( 3354 PWs) bands (ev): -18.8054 -18.8054 -5.6543 -5.6543 -3.8694 -3.8694 -3.6779 -3.6779 -1.5462 -1.5462 -1.4055 -1.4055 -0.3064 -0.3064 -0.2322 -0.2322 -0.1616 -0.1616 0.1832 0.1832 0.3928 0.3928 0.4367 0.4367 0.4774 0.4774 0.5442 0.5442 1.0593 1.0593 1.2573 1.2573 4.2863 4.2863 4.2925 4.2925 5.1974 5.1974 6.8772 6.8772 6.9599 6.9599 7.1137 7.1137 11.2928 11.2928 11.2979 11.2979 12.1180 12.1180 12.1219 12.1219 k = 0.3333 0.5774 0.0832 ( 3354 PWs) bands (ev): -18.8054 -18.8054 -5.6543 -5.6543 -3.8688 -3.8688 -3.6777 -3.6777 -1.5475 -1.5475 -1.4074 -1.4074 -0.3053 -0.3053 -0.2322 -0.2322 -0.1610 -0.1610 0.1830 0.1830 0.3929 0.3929 0.4365 0.4365 0.4777 0.4777 0.5435 0.5435 1.0573 1.0573 1.2561 1.2561 4.2955 4.2955 4.2989 4.2989 5.2180 5.2180 6.8740 6.8740 6.9522 6.9522 7.0808 7.0808 11.2570 11.2570 11.2584 11.2584 12.1597 12.1597 12.1700 12.1700 k = 0.3333 0.5774 0.0971 ( 3357 PWs) bands (ev): -18.8054 -18.8054 -5.6542 -5.6542 -3.8682 -3.8682 -3.6775 -3.6775 -1.5490 -1.5490 -1.4096 -1.4096 -0.3041 -0.3041 -0.2322 -0.2322 -0.1604 -0.1604 0.1827 0.1827 0.3931 0.3931 0.4363 0.4363 0.4781 0.4781 0.5427 0.5427 1.0551 1.0551 1.2547 1.2547 4.3059 4.3059 4.3061 4.3061 5.2420 5.2420 6.8701 6.8701 6.9433 6.9433 7.0434 7.0434 11.2185 11.2185 11.2210 11.2210 12.1961 12.1961 12.2241 12.2241 k = 0.3333 0.5774 0.1110 ( 3372 PWs) bands (ev): -18.8054 -18.8054 -5.6541 -5.6541 -3.8676 -3.8676 -3.6772 -3.6772 -1.5505 -1.5505 -1.4120 -1.4120 -0.3028 -0.3028 -0.2322 -0.2322 -0.1598 -0.1598 0.1824 0.1824 0.3933 0.3933 0.4361 0.4361 0.4784 0.4784 0.5418 0.5418 1.0527 1.0527 1.2531 1.2531 4.3139 4.3139 4.3174 4.3174 5.2692 5.2692 6.8654 6.8654 6.9336 6.9336 7.0021 7.0021 11.1791 11.1791 11.1858 11.1858 12.2339 12.2339 12.2789 12.2789 k = 0.3333 0.5774 0.1248 ( 3381 PWs) bands (ev): -18.8054 -18.8054 -5.6540 -5.6540 -3.8669 -3.8669 -3.6769 -3.6769 -1.5522 -1.5522 -1.4145 -1.4145 -0.3014 -0.3014 -0.2322 -0.2322 -0.1591 -0.1591 0.1820 0.1820 0.3935 0.3935 0.4359 0.4359 0.4788 0.4788 0.5409 0.5409 1.0502 1.0502 1.2515 1.2515 4.3223 4.3223 4.3296 4.3296 5.2993 5.2993 6.8594 6.8594 6.9232 6.9232 6.9584 6.9584 11.1409 11.1409 11.1519 11.1519 12.2739 12.2739 12.3332 12.3332 k = 0.3333 0.5774 0.1387 ( 3399 PWs) bands (ev): -18.8054 -18.8054 -5.6538 -5.6538 -3.8662 -3.8662 -3.6767 -3.6767 -1.5540 -1.5540 -1.4171 -1.4171 -0.2999 -0.2999 -0.2322 -0.2322 -0.1584 -0.1584 0.1816 0.1816 0.3937 0.3937 0.4356 0.4356 0.4793 0.4793 0.5400 0.5400 1.0476 1.0476 1.2498 1.2498 4.3310 4.3310 4.3423 4.3423 5.3321 5.3321 6.8500 6.8500 6.9124 6.9124 6.9149 6.9149 11.1045 11.1045 11.1198 11.1198 12.3159 12.3159 12.3858 12.3858 k = 0.3333 0.5774 0.1526 ( 3396 PWs) bands (ev): -18.8054 -18.8054 -5.6537 -5.6537 -3.8655 -3.8655 -3.6764 -3.6764 -1.5557 -1.5557 -1.4198 -1.4198 -0.2984 -0.2984 -0.2322 -0.2322 -0.1577 -0.1577 0.1812 0.1812 0.3940 0.3940 0.4354 0.4354 0.4797 0.4797 0.5391 0.5391 1.0449 1.0449 1.2482 1.2482 4.3398 4.3398 4.3553 4.3553 5.3672 5.3672 6.8287 6.8287 6.8810 6.8810 6.9012 6.9012 11.0703 11.0703 11.0899 11.0899 12.3596 12.3596 12.4357 12.4357 k = 0.3333 0.5774 0.1664 ( 3396 PWs) bands (ev): -18.8054 -18.8054 -5.6536 -5.6536 -3.8648 -3.8648 -3.6761 -3.6761 -1.5574 -1.5574 -1.4224 -1.4224 -0.2969 -0.2969 -0.2322 -0.2322 -0.1570 -0.1570 0.1808 0.1808 0.3943 0.3943 0.4351 0.4351 0.4801 0.4801 0.5382 0.5382 1.0423 1.0423 1.2465 1.2465 4.3485 4.3485 4.3682 4.3682 5.4041 5.4041 6.7882 6.7882 6.8648 6.8648 6.8901 6.8901 11.0386 11.0386 11.0624 11.0624 12.4044 12.4044 12.4822 12.4822 k = 0.3333 0.5774 0.1803 ( 3408 PWs) bands (ev): -18.8054 -18.8054 -5.6535 -5.6535 -3.8641 -3.8641 -3.6758 -3.6758 -1.5591 -1.5591 -1.4249 -1.4249 -0.2955 -0.2955 -0.2322 -0.2322 -0.1563 -0.1563 0.1804 0.1804 0.3945 0.3945 0.4348 0.4348 0.4805 0.4805 0.5374 0.5374 1.0398 1.0398 1.2449 1.2449 4.3569 4.3569 4.3808 4.3808 5.4424 5.4424 6.7391 6.7391 6.8569 6.8569 6.8793 6.8793 11.0096 11.0096 11.0375 11.0375 12.4498 12.4498 12.5244 12.5244 k = 0.3333 0.5774 0.1942 ( 3396 PWs) bands (ev): -18.8054 -18.8054 -5.6534 -5.6534 -3.8635 -3.8635 -3.6755 -3.6755 -1.5607 -1.5607 -1.4273 -1.4273 -0.2941 -0.2941 -0.2323 -0.2323 -0.1557 -0.1557 0.1800 0.1800 0.3948 0.3948 0.4345 0.4345 0.4809 0.4809 0.5366 0.5366 1.0374 1.0374 1.2434 1.2434 4.3649 4.3649 4.3928 4.3928 5.4812 5.4812 6.6882 6.6882 6.8514 6.8514 6.8689 6.8689 10.9836 10.9836 11.0154 11.0154 12.4950 12.4950 12.5618 12.5618 k = 0.3333 0.5774 0.2080 ( 3396 PWs) bands (ev): -18.8054 -18.8054 -5.6533 -5.6533 -3.8629 -3.8629 -3.6753 -3.6753 -1.5621 -1.5621 -1.4294 -1.4294 -0.2928 -0.2928 -0.2323 -0.2323 -0.1551 -0.1551 0.1796 0.1796 0.3950 0.3950 0.4342 0.4342 0.4813 0.4813 0.5359 0.5359 1.0353 1.0353 1.2420 1.2420 4.3723 4.3723 4.4038 4.4038 5.5198 5.5198 6.6379 6.6379 6.8470 6.8470 6.8593 6.8593 10.9607 10.9607 10.9961 10.9961 12.5395 12.5395 12.5939 12.5939 k = 0.3333 0.5774 0.2219 ( 3408 PWs) bands (ev): -18.8054 -18.8054 -5.6532 -5.6532 -3.8623 -3.8623 -3.6751 -3.6751 -1.5634 -1.5634 -1.4314 -1.4314 -0.2917 -0.2917 -0.2323 -0.2323 -0.1546 -0.1546 0.1793 0.1793 0.3953 0.3953 0.4340 0.4340 0.4816 0.4816 0.5353 0.5353 1.0334 1.0334 1.2408 1.2408 4.3788 4.3788 4.4137 4.4137 5.5569 5.5569 6.5903 6.5903 6.8434 6.8434 6.8507 6.8507 10.9411 10.9411 10.9796 10.9796 12.5821 12.5821 12.6207 12.6207 k = 0.3333 0.5774 0.2358 ( 3405 PWs) bands (ev): -18.8054 -18.8054 -5.6532 -5.6532 -3.8619 -3.8619 -3.6749 -3.6749 -1.5644 -1.5644 -1.4330 -1.4330 -0.2907 -0.2907 -0.2323 -0.2323 -0.1542 -0.1542 0.1790 0.1790 0.3955 0.3955 0.4337 0.4337 0.4818 0.4818 0.5348 0.5348 1.0317 1.0317 1.2398 1.2398 4.3844 4.3844 4.4222 4.4222 5.5913 5.5913 6.5470 6.5470 6.8404 6.8404 6.8434 6.8434 10.9250 10.9250 10.9661 10.9661 12.6218 12.6218 12.6420 12.6420 k = 0.3333 0.5774 0.2496 ( 3399 PWs) bands (ev): -18.8054 -18.8054 -5.6531 -5.6531 -3.8615 -3.8615 -3.6747 -3.6747 -1.5653 -1.5653 -1.4343 -1.4343 -0.2899 -0.2899 -0.2324 -0.2324 -0.1539 -0.1539 0.1787 0.1787 0.3956 0.3956 0.4336 0.4336 0.4821 0.4821 0.5344 0.5344 1.0304 1.0304 1.2390 1.2390 4.3889 4.3889 4.4290 4.4290 5.6212 5.6212 6.5099 6.5099 6.8374 6.8374 6.8380 6.8380 10.9123 10.9123 10.9556 10.9556 12.6563 12.6563 12.6583 12.6583 k = 0.3333 0.5774 0.2635 ( 3405 PWs) bands (ev): -18.8054 -18.8054 -5.6531 -5.6531 -3.8613 -3.8613 -3.6746 -3.6746 -1.5659 -1.5659 -1.4353 -1.4353 -0.2894 -0.2894 -0.2324 -0.2324 -0.1536 -0.1536 0.1785 0.1785 0.3958 0.3958 0.4334 0.4334 0.4822 0.4822 0.5341 0.5341 1.0295 1.0295 1.2384 1.2384 4.3921 4.3921 4.4340 4.4340 5.6446 5.6446 6.4812 6.4812 6.8331 6.8331 6.8363 6.8363 10.9032 10.9032 10.9481 10.9481 12.6696 12.6696 12.6801 12.6801 k = 0.3333 0.5774 0.2774 ( 3399 PWs) bands (ev): -18.8054 -18.8054 -5.6531 -5.6531 -3.8611 -3.8611 -3.6746 -3.6746 -1.5663 -1.5663 -1.4358 -1.4358 -0.2890 -0.2890 -0.2324 -0.2324 -0.1535 -0.1535 0.1784 0.1784 0.3958 0.3958 0.4333 0.4333 0.4823 0.4823 0.5339 0.5339 1.0289 1.0289 1.2380 1.2380 4.3941 4.3941 4.4370 4.4370 5.6597 5.6597 6.4630 6.4630 6.8304 6.8304 6.8353 6.8353 10.8977 10.8977 10.9435 10.9435 12.6763 12.6763 12.6899 12.6899 k = 0.3333 0.5774 0.2913 ( 3384 PWs) bands (ev): -18.8054 -18.8054 -5.6530 -5.6530 -3.8611 -3.8611 -3.6745 -3.6745 -1.5665 -1.5665 -1.4360 -1.4360 -0.2889 -0.2889 -0.2324 -0.2324 -0.1534 -0.1534 0.1784 0.1784 0.3959 0.3959 0.4333 0.4333 0.4823 0.4823 0.5339 0.5339 1.0287 1.0287 1.2379 1.2379 4.3948 4.3948 4.4381 4.4381 5.6649 5.6649 6.4567 6.4567 6.8295 6.8295 6.8349 6.8349 10.8959 10.8959 10.9420 10.9420 12.6785 12.6785 12.6926 12.6926 Writing output data file BaxCdPx2.save init_run : 0.72s CPU 1.08s WALL ( 1 calls) electrons : 216.43s CPU 219.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 216.42s CPU 219.68s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 300 calls) cegterg : 205.94s CPU 208.73s WALL ( 803 calls) Called by sum_band: Called by *egterg: h_psi : 97.87s CPU 99.38s WALL ( 13988 calls) s_psi : 9.80s CPU 9.70s WALL ( 13988 calls) g_psi : 0.24s CPU 0.26s WALL ( 12885 calls) cdiaghg : 86.57s CPU 87.63s WALL ( 13185 calls) cegterg:over : 7.14s CPU 7.16s WALL ( 12885 calls) cegterg:upda : 6.77s CPU 6.97s WALL ( 12885 calls) cegterg:last : 2.76s CPU 2.94s WALL ( 1702 calls) cdiaghg:chol : 4.89s CPU 4.95s WALL ( 13185 calls) cdiaghg:inve : 3.16s CPU 3.18s WALL ( 13185 calls) cdiaghg:para : 5.29s CPU 5.10s WALL ( 26370 calls) Called by h_psi: h_psi:vloc : 78.36s CPU 79.84s WALL ( 13988 calls) h_psi:vnl : 19.29s CPU 19.28s WALL ( 13988 calls) add_vuspsi : 10.06s CPU 10.29s WALL ( 13988 calls) General routines calbec : 9.18s CPU 8.96s WALL ( 13988 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.50s CPU 66.39s WALL ( 1031236 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.24s WALL ( 600 calls) Parallel routines fft_scatter : 24.99s CPU 25.51s WALL ( 1031259 calls) PWSCF : 3m51.30s CPU 4m 3.36s WALL This run was terminated on: 13:59:54 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=