Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:35:37 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: ./CaxCdAsx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 23 7 6130 933 149 Max 85 24 8 6137 962 156 Sum 3037 859 253 220789 34085 5383 bravais-lattice index = 14 lattice parameter (alat) = 8.2978 a.u. unit-cell volume = 809.5065 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.297787 celldm(2)= 1.000000 celldm(3)= 1.636074 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 1.636074 ) 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 0.611219 ) PseudoPot. # 1 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. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0138913), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0277827), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0416740), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0555654), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.0694567), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.0833481), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.0972394), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1111308), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.1250221), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.1389135), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.1528048), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.1666962), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.1805875), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.1944789), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.2083702), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.2222616), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.2361529), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.2500443), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.2639356), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.2778270), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.2917183), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.3056097), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.3056097), wk = 0.0033003 k( 142) = ( 0.0119048 0.0068732 0.3056097), wk = 0.0033003 k( 143) = ( 0.0238095 0.0137464 0.3056097), wk = 0.0033003 k( 144) = ( 0.0357143 0.0206197 0.3056097), wk = 0.0033003 k( 145) = ( 0.0476191 0.0274929 0.3056097), wk = 0.0033003 k( 146) = ( 0.0595238 0.0343661 0.3056097), wk = 0.0033003 k( 147) = ( 0.0714286 0.0412393 0.3056097), wk = 0.0033003 k( 148) = ( 0.0833333 0.0481125 0.3056097), wk = 0.0033003 k( 149) = ( 0.0952381 0.0549857 0.3056097), wk = 0.0033003 k( 150) = ( 0.1071429 0.0618590 0.3056097), wk = 0.0033003 k( 151) = ( 0.1190476 0.0687322 0.3056097), wk = 0.0033003 k( 152) = ( 0.1309524 0.0756054 0.3056097), wk = 0.0033003 k( 153) = ( 0.1428571 0.0824786 0.3056097), wk = 0.0033003 k( 154) = ( 0.1547619 0.0893518 0.3056097), wk = 0.0033003 k( 155) = ( 0.1666667 0.0962250 0.3056097), wk = 0.0033003 k( 156) = ( 0.1785714 0.1030983 0.3056097), wk = 0.0033003 k( 157) = ( 0.1904762 0.1099715 0.3056097), wk = 0.0033003 k( 158) = ( 0.2023810 0.1168447 0.3056097), wk = 0.0033003 k( 159) = ( 0.2142857 0.1237179 0.3056097), wk = 0.0033003 k( 160) = ( 0.2261905 0.1305911 0.3056097), wk = 0.0033003 k( 161) = ( 0.2380952 0.1374644 0.3056097), wk = 0.0033003 k( 162) = ( 0.2500000 0.1443376 0.3056097), wk = 0.0033003 k( 163) = ( 0.2619048 0.1512108 0.3056097), wk = 0.0033003 k( 164) = ( 0.2738095 0.1580840 0.3056097), wk = 0.0033003 k( 165) = ( 0.2857143 0.1649572 0.3056097), wk = 0.0033003 k( 166) = ( 0.2976190 0.1718304 0.3056097), wk = 0.0033003 k( 167) = ( 0.3095238 0.1787037 0.3056097), wk = 0.0033003 k( 168) = ( 0.3214286 0.1855769 0.3056097), wk = 0.0033003 k( 169) = ( 0.3333333 0.1924501 0.3056097), wk = 0.0033003 k( 170) = ( 0.3452381 0.1993233 0.3056097), wk = 0.0033003 k( 171) = ( 0.3571429 0.2061965 0.3056097), wk = 0.0033003 k( 172) = ( 0.3690476 0.2130697 0.3056097), wk = 0.0033003 k( 173) = ( 0.3809524 0.2199430 0.3056097), wk = 0.0033003 k( 174) = ( 0.3928571 0.2268162 0.3056097), wk = 0.0033003 k( 175) = ( 0.4047619 0.2336894 0.3056097), wk = 0.0033003 k( 176) = ( 0.4166667 0.2405626 0.3056097), wk = 0.0033003 k( 177) = ( 0.4285714 0.2474358 0.3056097), wk = 0.0033003 k( 178) = ( 0.4404762 0.2543090 0.3056097), wk = 0.0033003 k( 179) = ( 0.4523810 0.2611823 0.3056097), wk = 0.0033003 k( 180) = ( 0.4642857 0.2680555 0.3056097), wk = 0.0033003 k( 181) = ( 0.4761905 0.2749287 0.3056097), wk = 0.0033003 k( 182) = ( 0.4880952 0.2818019 0.3056097), wk = 0.0033003 k( 183) = ( 0.5000000 0.2886751 0.3056097), wk = 0.0033003 k( 184) = ( 0.5000000 0.2886751 0.3056097), wk = 0.0033003 k( 185) = ( 0.4930556 0.3007033 0.3056097), wk = 0.0033003 k( 186) = ( 0.4861111 0.3127314 0.3056097), wk = 0.0033003 k( 187) = ( 0.4791667 0.3247595 0.3056097), wk = 0.0033003 k( 188) = ( 0.4722222 0.3367877 0.3056097), wk = 0.0033003 k( 189) = ( 0.4652778 0.3488158 0.3056097), wk = 0.0033003 k( 190) = ( 0.4583333 0.3608439 0.3056097), wk = 0.0033003 k( 191) = ( 0.4513889 0.3728720 0.3056097), wk = 0.0033003 k( 192) = ( 0.4444444 0.3849002 0.3056097), wk = 0.0033003 k( 193) = ( 0.4375000 0.3969283 0.3056097), wk = 0.0033003 k( 194) = ( 0.4305556 0.4089564 0.3056097), wk = 0.0033003 k( 195) = ( 0.4236111 0.4209846 0.3056097), wk = 0.0033003 k( 196) = ( 0.4166667 0.4330127 0.3056097), wk = 0.0033003 k( 197) = ( 0.4097222 0.4450408 0.3056097), wk = 0.0033003 k( 198) = ( 0.4027778 0.4570690 0.3056097), wk = 0.0033003 k( 199) = ( 0.3958333 0.4690971 0.3056097), wk = 0.0033003 k( 200) = ( 0.3888889 0.4811252 0.3056097), wk = 0.0033003 k( 201) = ( 0.3819444 0.4931534 0.3056097), wk = 0.0033003 k( 202) = ( 0.3750000 0.5051815 0.3056097), wk = 0.0033003 k( 203) = ( 0.3680556 0.5172096 0.3056097), wk = 0.0033003 k( 204) = ( 0.3611111 0.5292377 0.3056097), wk = 0.0033003 k( 205) = ( 0.3541667 0.5412659 0.3056097), wk = 0.0033003 k( 206) = ( 0.3472222 0.5532940 0.3056097), wk = 0.0033003 k( 207) = ( 0.3402778 0.5653221 0.3056097), wk = 0.0033003 k( 208) = ( 0.3333333 0.5773503 0.3056097), wk = 0.0033003 k( 209) = ( 0.3333333 0.5773503 0.3056097), wk = 0.0033003 k( 210) = ( 0.3263889 0.5653221 0.3056097), wk = 0.0033003 k( 211) = ( 0.3194444 0.5532940 0.3056097), wk = 0.0033003 k( 212) = ( 0.3125000 0.5412659 0.3056097), wk = 0.0033003 k( 213) = ( 0.3055556 0.5292378 0.3056097), wk = 0.0033003 k( 214) = ( 0.2986111 0.5172096 0.3056097), wk = 0.0033003 k( 215) = ( 0.2916667 0.5051815 0.3056097), wk = 0.0033003 k( 216) = ( 0.2847222 0.4931534 0.3056097), wk = 0.0033003 k( 217) = ( 0.2777778 0.4811252 0.3056097), wk = 0.0033003 k( 218) = ( 0.2708333 0.4690971 0.3056097), wk = 0.0033003 k( 219) = ( 0.2638889 0.4570690 0.3056097), wk = 0.0033003 k( 220) = ( 0.2569444 0.4450408 0.3056097), wk = 0.0033003 k( 221) = ( 0.2500000 0.4330127 0.3056097), wk = 0.0033003 k( 222) = ( 0.2430556 0.4209846 0.3056097), wk = 0.0033003 k( 223) = ( 0.2361111 0.4089564 0.3056097), wk = 0.0033003 k( 224) = ( 0.2291667 0.3969283 0.3056097), wk = 0.0033003 k( 225) = ( 0.2222222 0.3849002 0.3056097), wk = 0.0033003 k( 226) = ( 0.2152778 0.3728721 0.3056097), wk = 0.0033003 k( 227) = ( 0.2083333 0.3608439 0.3056097), wk = 0.0033003 k( 228) = ( 0.2013889 0.3488158 0.3056097), wk = 0.0033003 k( 229) = ( 0.1944444 0.3367876 0.3056097), wk = 0.0033003 k( 230) = ( 0.1875000 0.3247595 0.3056097), wk = 0.0033003 k( 231) = ( 0.1805556 0.3127314 0.3056097), wk = 0.0033003 k( 232) = ( 0.1736111 0.3007033 0.3056097), wk = 0.0033003 k( 233) = ( 0.1666667 0.2886751 0.3056097), wk = 0.0033003 k( 234) = ( 0.1597222 0.2766470 0.3056097), wk = 0.0033003 k( 235) = ( 0.1527778 0.2646189 0.3056097), wk = 0.0033003 k( 236) = ( 0.1458333 0.2525907 0.3056097), wk = 0.0033003 k( 237) = ( 0.1388889 0.2405626 0.3056097), wk = 0.0033003 k( 238) = ( 0.1319444 0.2285345 0.3056097), wk = 0.0033003 k( 239) = ( 0.1250000 0.2165064 0.3056097), wk = 0.0033003 k( 240) = ( 0.1180556 0.2044782 0.3056097), wk = 0.0033003 k( 241) = ( 0.1111111 0.1924501 0.3056097), wk = 0.0033003 k( 242) = ( 0.1041667 0.1804220 0.3056097), wk = 0.0033003 k( 243) = ( 0.0972222 0.1683938 0.3056097), wk = 0.0033003 k( 244) = ( 0.0902778 0.1563657 0.3056097), wk = 0.0033003 k( 245) = ( 0.0833333 0.1443376 0.3056097), wk = 0.0033003 k( 246) = ( 0.0763889 0.1323094 0.3056097), wk = 0.0033003 k( 247) = ( 0.0694444 0.1202813 0.3056097), wk = 0.0033003 k( 248) = ( 0.0625000 0.1082532 0.3056097), wk = 0.0033003 k( 249) = ( 0.0555556 0.0962251 0.3056097), wk = 0.0033003 k( 250) = ( 0.0486111 0.0841969 0.3056097), wk = 0.0033003 k( 251) = ( 0.0416667 0.0721688 0.3056097), wk = 0.0033003 k( 252) = ( 0.0347222 0.0601406 0.3056097), wk = 0.0033003 k( 253) = ( 0.0277778 0.0481125 0.3056097), wk = 0.0033003 k( 254) = ( 0.0208333 0.0360844 0.3056097), wk = 0.0033003 k( 255) = ( 0.0138889 0.0240563 0.3056097), wk = 0.0033003 k( 256) = ( 0.0069444 0.0120281 0.3056097), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.3056097), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.3056097), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.2917183), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.2778270), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.2639356), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.2500443), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.2361529), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.2222616), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.2083702), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.1944789), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.1805875), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.1666962), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.1528048), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.1389135), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.1250221), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 0.1111308), wk = 0.0033003 k( 273) = ( 0.5000000 0.2886751 0.0972394), wk = 0.0033003 k( 274) = ( 0.5000000 0.2886751 0.0833481), wk = 0.0033003 k( 275) = ( 0.5000000 0.2886751 0.0694567), wk = 0.0033003 k( 276) = ( 0.5000000 0.2886751 0.0555654), wk = 0.0033003 k( 277) = ( 0.5000000 0.2886751 0.0416740), wk = 0.0033003 k( 278) = ( 0.5000000 0.2886751 0.0277827), wk = 0.0033003 k( 279) = ( 0.5000000 0.2886751 0.0138913), wk = 0.0033003 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.0138913), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.0277827), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.0416740), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.0555654), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.0694567), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.0833481), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.0972394), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.1111308), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.1250221), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.1389135), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.1528048), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.1666962), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.1805875), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.1944789), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.2083702), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.2222616), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.2361529), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.2500443), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.2639356), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.2778270), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.2917183), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.3056097), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 0.0000000 0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 -0.0000000 0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 -0.0000000 0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033003 k( 186) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033003 k( 187) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033003 k( 188) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033003 k( 189) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033003 k( 190) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033003 k( 191) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033003 k( 192) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033003 k( 193) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033003 k( 194) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033003 k( 195) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033003 k( 196) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 197) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033003 k( 198) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033003 k( 199) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033003 k( 200) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033003 k( 201) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033003 k( 202) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033003 k( 203) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033003 k( 204) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033003 k( 205) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033003 k( 206) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033003 k( 207) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033003 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 210) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033003 k( 211) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033003 k( 212) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033003 k( 213) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033003 k( 214) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033003 k( 215) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033003 k( 216) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033003 k( 217) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033003 k( 218) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033003 k( 219) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033003 k( 220) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033003 k( 221) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 222) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033003 k( 223) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033003 k( 224) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033003 k( 225) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033003 k( 226) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033003 k( 227) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033003 k( 228) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033003 k( 229) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033003 k( 230) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033003 k( 231) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033003 k( 232) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033003 k( 233) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033003 k( 234) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033003 k( 235) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033003 k( 236) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033003 k( 237) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033003 k( 238) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033003 k( 239) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033003 k( 240) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033003 k( 241) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033003 k( 242) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033003 k( 243) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033003 k( 244) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033003 k( 245) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033003 k( 246) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033003 k( 247) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033003 k( 248) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033003 k( 249) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033003 k( 250) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033003 k( 251) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033003 k( 252) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033003 k( 253) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033003 k( 254) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033003 k( 255) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033003 k( 256) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 258) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033003 k( 259) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0033003 k( 260) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0033003 k( 261) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0033003 k( 262) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0033003 k( 263) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0033003 k( 264) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0033003 k( 265) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0033003 k( 266) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0033003 k( 267) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0033003 k( 268) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0033003 k( 269) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033003 k( 270) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0033003 k( 271) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0033003 k( 272) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0033003 k( 273) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0033003 k( 274) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0033003 k( 275) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0033003 k( 276) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0033003 k( 277) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0033003 k( 278) = ( 0.5000000 0.0000000 0.0454545), wk = 0.0033003 k( 279) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0033003 k( 280) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 220789 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 34085 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 260, 52) NL pseudopotentials 0.26 Mb ( 130, 130) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6137) G-vector shells 0.02 Mb ( 2882) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 260, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 130, 2, 52) The potential is recalculated from file : ./CaxCdAsx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.4 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.3 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.5 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 17.0 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.1 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.6 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.2 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.7 secs Computing kpt #: 21 total cpu time spent up to now is 25.7 secs Computing kpt #: 22 total cpu time spent up to now is 26.8 secs Computing kpt #: 23 total cpu time spent up to now is 27.7 secs Computing kpt #: 24 total cpu time spent up to now is 29.1 secs Computing kpt #: 25 total cpu time spent up to now is 29.9 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.7 secs Computing kpt #: 28 total cpu time spent up to now is 32.9 secs Computing kpt #: 29 total cpu time spent up to now is 34.0 secs Computing kpt #: 30 total cpu time spent up to now is 34.9 secs Computing kpt #: 31 total cpu time spent up to now is 36.3 secs Computing kpt #: 32 total cpu time spent up to now is 37.7 secs Computing kpt #: 33 total cpu time spent up to now is 38.5 secs Computing kpt #: 34 total cpu time spent up to now is 39.9 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.4 secs Computing kpt #: 36 total cpu time spent up to now is 42.4 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 43.9 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.0 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.6 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.1 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.2 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.8 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.8 secs Computing kpt #: 49 total cpu time spent up to now is 61.5 secs Computing kpt #: 50 total cpu time spent up to now is 62.2 secs Computing kpt #: 51 total cpu time spent up to now is 63.0 secs Computing kpt #: 52 total cpu time spent up to now is 63.9 secs Computing kpt #: 53 total cpu time spent up to now is 64.5 secs Computing kpt #: 54 total cpu time spent up to now is 65.3 secs Computing kpt #: 55 total cpu time spent up to now is 66.1 secs Computing kpt #: 56 total cpu time spent up to now is 66.8 secs Computing kpt #: 57 total cpu time spent up to now is 67.3 secs Computing kpt #: 58 total cpu time spent up to now is 67.9 secs Computing kpt #: 59 total cpu time spent up to now is 68.5 secs Computing kpt #: 60 total cpu time spent up to now is 69.3 secs Computing kpt #: 61 total cpu time spent up to now is 69.9 secs Computing kpt #: 62 total cpu time spent up to now is 70.5 secs Computing kpt #: 63 total cpu time spent up to now is 71.1 secs Computing kpt #: 64 total cpu time spent up to now is 71.7 secs Computing kpt #: 65 total cpu time spent up to now is 72.6 secs Computing kpt #: 66 total cpu time spent up to now is 73.6 secs Computing kpt #: 67 total cpu time spent up to now is 74.3 secs Computing kpt #: 68 total cpu time spent up to now is 74.9 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.4 secs Computing kpt #: 70 total cpu time spent up to now is 77.7 secs Computing kpt #: 71 total cpu time spent up to now is 78.9 secs Computing kpt #: 72 total cpu time spent up to now is 79.5 secs Computing kpt #: 73 total cpu time spent up to now is 80.2 secs Computing kpt #: 74 total cpu time spent up to now is 80.9 secs Computing kpt #: 75 total cpu time spent up to now is 81.8 secs Computing kpt #: 76 total cpu time spent up to now is 82.7 secs Computing kpt #: 77 total cpu time spent up to now is 83.3 secs Computing kpt #: 78 total cpu time spent up to now is 84.0 secs Computing kpt #: 79 total cpu time spent up to now is 84.6 secs Computing kpt #: 80 total cpu time spent up to now is 85.3 secs Computing kpt #: 81 total cpu time spent up to now is 85.9 secs Computing kpt #: 82 total cpu time spent up to now is 86.6 secs Computing kpt #: 83 total cpu time spent up to now is 87.3 secs Computing kpt #: 84 total cpu time spent up to now is 87.9 secs Computing kpt #: 85 total cpu time spent up to now is 88.8 secs Computing kpt #: 86 total cpu time spent up to now is 89.6 secs Computing kpt #: 87 total cpu time spent up to now is 90.5 secs Computing kpt #: 88 total cpu time spent up to now is 91.4 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.0 secs Computing kpt #: 90 total cpu time spent up to now is 94.1 secs Computing kpt #: 91 total cpu time spent up to now is 95.5 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 97.1 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.7 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.3 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 96 total cpu time spent up to now is 103.7 secs Computing kpt #: 97 total cpu time spent up to now is 105.1 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.6 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.2 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.8 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.9 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.4 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.9 secs Computing kpt #: 105 total cpu time spent up to now is 116.9 secs Computing kpt #: 106 total cpu time spent up to now is 118.1 secs Computing kpt #: 107 total cpu time spent up to now is 119.4 secs Computing kpt #: 108 total cpu time spent up to now is 120.1 secs Computing kpt #: 109 total cpu time spent up to now is 121.2 secs Computing kpt #: 110 total cpu time spent up to now is 122.3 secs Computing kpt #: 111 total cpu time spent up to now is 123.2 secs Computing kpt #: 112 total cpu time spent up to now is 124.1 secs Computing kpt #: 113 total cpu time spent up to now is 124.7 secs Computing kpt #: 114 total cpu time spent up to now is 127.0 secs Computing kpt #: 115 total cpu time spent up to now is 127.7 secs Computing kpt #: 116 total cpu time spent up to now is 128.3 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.8 secs Computing kpt #: 118 total cpu time spent up to now is 131.1 secs Computing kpt #: 119 total cpu time spent up to now is 132.2 secs Computing kpt #: 120 total cpu time spent up to now is 132.9 secs Computing kpt #: 121 total cpu time spent up to now is 133.9 secs Computing kpt #: 122 total cpu time spent up to now is 134.6 secs Computing kpt #: 123 total cpu time spent up to now is 135.8 secs Computing kpt #: 124 total cpu time spent up to now is 136.6 secs Computing kpt #: 125 total cpu time spent up to now is 137.4 secs Computing kpt #: 126 total cpu time spent up to now is 138.1 secs Computing kpt #: 127 total cpu time spent up to now is 138.8 secs Computing kpt #: 128 total cpu time spent up to now is 139.5 secs Computing kpt #: 129 total cpu time spent up to now is 140.2 secs Computing kpt #: 130 total cpu time spent up to now is 141.4 secs Computing kpt #: 131 total cpu time spent up to now is 142.1 secs Computing kpt #: 132 total cpu time spent up to now is 142.9 secs Computing kpt #: 133 total cpu time spent up to now is 143.6 secs Computing kpt #: 134 total cpu time spent up to now is 144.3 secs Computing kpt #: 135 total cpu time spent up to now is 145.0 secs Computing kpt #: 136 total cpu time spent up to now is 145.7 secs Computing kpt #: 137 total cpu time spent up to now is 146.5 secs Computing kpt #: 138 total cpu time spent up to now is 147.2 secs Computing kpt #: 139 total cpu time spent up to now is 147.9 secs Computing kpt #: 140 total cpu time spent up to now is 148.7 secs Computing kpt #: 141 total cpu time spent up to now is 149.5 secs Computing kpt #: 142 total cpu time spent up to now is 150.2 secs Computing kpt #: 143 total cpu time spent up to now is 150.9 secs Computing kpt #: 144 total cpu time spent up to now is 151.6 secs Computing kpt #: 145 total cpu time spent up to now is 152.3 secs Computing kpt #: 146 total cpu time spent up to now is 153.1 secs Computing kpt #: 147 total cpu time spent up to now is 153.8 secs Computing kpt #: 148 total cpu time spent up to now is 154.6 secs Computing kpt #: 149 total cpu time spent up to now is 155.4 secs Computing kpt #: 150 total cpu time spent up to now is 156.1 secs Computing kpt #: 151 total cpu time spent up to now is 157.0 secs Computing kpt #: 152 total cpu time spent up to now is 158.0 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.1 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.7 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.2 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.7 secs Computing kpt #: 160 total cpu time spent up to now is 169.7 secs Computing kpt #: 161 total cpu time spent up to now is 170.5 secs Computing kpt #: 162 total cpu time spent up to now is 171.3 secs Computing kpt #: 163 total cpu time spent up to now is 172.1 secs Computing kpt #: 164 total cpu time spent up to now is 172.8 secs Computing kpt #: 165 total cpu time spent up to now is 173.4 secs Computing kpt #: 166 total cpu time spent up to now is 174.0 secs Computing kpt #: 167 total cpu time spent up to now is 174.6 secs Computing kpt #: 168 total cpu time spent up to now is 175.2 secs Computing kpt #: 169 total cpu time spent up to now is 175.8 secs Computing kpt #: 170 total cpu time spent up to now is 176.4 secs Computing kpt #: 171 total cpu time spent up to now is 177.0 secs Computing kpt #: 172 total cpu time spent up to now is 177.5 secs Computing kpt #: 173 total cpu time spent up to now is 178.1 secs Computing kpt #: 174 total cpu time spent up to now is 178.7 secs Computing kpt #: 175 total cpu time spent up to now is 179.3 secs Computing kpt #: 176 total cpu time spent up to now is 179.9 secs Computing kpt #: 177 total cpu time spent up to now is 180.5 secs Computing kpt #: 178 total cpu time spent up to now is 181.1 secs Computing kpt #: 179 total cpu time spent up to now is 181.7 secs Computing kpt #: 180 total cpu time spent up to now is 182.3 secs Computing kpt #: 181 total cpu time spent up to now is 182.8 secs Computing kpt #: 182 total cpu time spent up to now is 183.4 secs Computing kpt #: 183 total cpu time spent up to now is 184.0 secs Computing kpt #: 184 total cpu time spent up to now is 184.6 secs Computing kpt #: 185 total cpu time spent up to now is 185.2 secs Computing kpt #: 186 total cpu time spent up to now is 185.8 secs Computing kpt #: 187 total cpu time spent up to now is 186.4 secs Computing kpt #: 188 total cpu time spent up to now is 187.0 secs Computing kpt #: 189 total cpu time spent up to now is 187.5 secs Computing kpt #: 190 total cpu time spent up to now is 188.1 secs Computing kpt #: 191 total cpu time spent up to now is 188.7 secs Computing kpt #: 192 total cpu time spent up to now is 189.2 secs Computing kpt #: 193 total cpu time spent up to now is 189.7 secs Computing kpt #: 194 total cpu time spent up to now is 190.4 secs Computing kpt #: 195 total cpu time spent up to now is 191.0 secs Computing kpt #: 196 total cpu time spent up to now is 191.6 secs Computing kpt #: 197 total cpu time spent up to now is 192.2 secs Computing kpt #: 198 total cpu time spent up to now is 192.9 secs Computing kpt #: 199 total cpu time spent up to now is 193.6 secs Computing kpt #: 200 total cpu time spent up to now is 194.3 secs Computing kpt #: 201 total cpu time spent up to now is 195.0 secs Computing kpt #: 202 total cpu time spent up to now is 195.9 secs Computing kpt #: 203 total cpu time spent up to now is 196.7 secs Computing kpt #: 204 total cpu time spent up to now is 197.6 secs Computing kpt #: 205 total cpu time spent up to now is 198.4 secs Computing kpt #: 206 total cpu time spent up to now is 199.4 secs Computing kpt #: 207 total cpu time spent up to now is 200.3 secs Computing kpt #: 208 total cpu time spent up to now is 201.3 secs Computing kpt #: 209 total cpu time spent up to now is 202.3 secs Computing kpt #: 210 total cpu time spent up to now is 203.4 secs Computing kpt #: 211 total cpu time spent up to now is 204.3 secs Computing kpt #: 212 total cpu time spent up to now is 205.4 secs Computing kpt #: 213 total cpu time spent up to now is 206.7 secs Computing kpt #: 214 total cpu time spent up to now is 207.6 secs Computing kpt #: 215 total cpu time spent up to now is 208.6 secs Computing kpt #: 216 total cpu time spent up to now is 209.5 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.0 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.5 secs Computing kpt #: 219 total cpu time spent up to now is 213.8 secs Computing kpt #: 220 total cpu time spent up to now is 214.8 secs Computing kpt #: 221 total cpu time spent up to now is 215.7 secs Computing kpt #: 222 total cpu time spent up to now is 216.5 secs Computing kpt #: 223 total cpu time spent up to now is 217.3 secs Computing kpt #: 224 total cpu time spent up to now is 218.2 secs Computing kpt #: 225 total cpu time spent up to now is 219.0 secs Computing kpt #: 226 total cpu time spent up to now is 219.7 secs Computing kpt #: 227 total cpu time spent up to now is 220.5 secs Computing kpt #: 228 total cpu time spent up to now is 221.7 secs Computing kpt #: 229 total cpu time spent up to now is 222.5 secs Computing kpt #: 230 total cpu time spent up to now is 223.2 secs Computing kpt #: 231 total cpu time spent up to now is 223.9 secs Computing kpt #: 232 total cpu time spent up to now is 224.6 secs Computing kpt #: 233 total cpu time spent up to now is 225.2 secs Computing kpt #: 234 total cpu time spent up to now is 226.0 secs Computing kpt #: 235 total cpu time spent up to now is 226.6 secs Computing kpt #: 236 total cpu time spent up to now is 227.3 secs Computing kpt #: 237 total cpu time spent up to now is 227.9 secs Computing kpt #: 238 total cpu time spent up to now is 228.6 secs Computing kpt #: 239 total cpu time spent up to now is 229.2 secs Computing kpt #: 240 total cpu time spent up to now is 229.8 secs Computing kpt #: 241 total cpu time spent up to now is 230.4 secs Computing kpt #: 242 total cpu time spent up to now is 231.0 secs Computing kpt #: 243 total cpu time spent up to now is 231.6 secs Computing kpt #: 244 total cpu time spent up to now is 232.3 secs Computing kpt #: 245 total cpu time spent up to now is 233.0 secs Computing kpt #: 246 total cpu time spent up to now is 233.8 secs Computing kpt #: 247 total cpu time spent up to now is 234.6 secs Computing kpt #: 248 total cpu time spent up to now is 235.4 secs Computing kpt #: 249 total cpu time spent up to now is 236.1 secs Computing kpt #: 250 total cpu time spent up to now is 236.8 secs Computing kpt #: 251 total cpu time spent up to now is 237.6 secs Computing kpt #: 252 total cpu time spent up to now is 238.3 secs Computing kpt #: 253 total cpu time spent up to now is 239.0 secs Computing kpt #: 254 total cpu time spent up to now is 239.6 secs Computing kpt #: 255 total cpu time spent up to now is 240.3 secs Computing kpt #: 256 total cpu time spent up to now is 241.1 secs Computing kpt #: 257 total cpu time spent up to now is 241.9 secs Computing kpt #: 258 total cpu time spent up to now is 242.5 secs Computing kpt #: 259 total cpu time spent up to now is 243.1 secs Computing kpt #: 260 total cpu time spent up to now is 243.6 secs Computing kpt #: 261 total cpu time spent up to now is 244.2 secs Computing kpt #: 262 total cpu time spent up to now is 244.8 secs Computing kpt #: 263 total cpu time spent up to now is 245.4 secs Computing kpt #: 264 total cpu time spent up to now is 246.0 secs Computing kpt #: 265 total cpu time spent up to now is 246.6 secs Computing kpt #: 266 total cpu time spent up to now is 247.2 secs Computing kpt #: 267 total cpu time spent up to now is 247.8 secs Computing kpt #: 268 total cpu time spent up to now is 248.5 secs Computing kpt #: 269 total cpu time spent up to now is 249.0 secs Computing kpt #: 270 total cpu time spent up to now is 249.6 secs Computing kpt #: 271 total cpu time spent up to now is 250.3 secs Computing kpt #: 272 total cpu time spent up to now is 251.1 secs Computing kpt #: 273 total cpu time spent up to now is 251.9 secs Computing kpt #: 274 total cpu time spent up to now is 252.9 secs Computing kpt #: 275 total cpu time spent up to now is 254.3 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.8 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.4 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.9 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.0 secs Computing kpt #: 281 total cpu time spent up to now is 263.1 secs Computing kpt #: 282 total cpu time spent up to now is 264.2 secs Computing kpt #: 283 total cpu time spent up to now is 265.5 secs Computing kpt #: 284 total cpu time spent up to now is 266.9 secs Computing kpt #: 285 total cpu time spent up to now is 267.6 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.1 secs Computing kpt #: 287 total cpu time spent up to now is 270.2 secs Computing kpt #: 288 total cpu time spent up to now is 271.0 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.5 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.0 secs Computing kpt #: 291 total cpu time spent up to now is 274.8 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.3 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.8 secs Computing kpt #: 294 total cpu time spent up to now is 279.2 secs Computing kpt #: 295 total cpu time spent up to now is 280.2 secs Computing kpt #: 296 total cpu time spent up to now is 281.1 secs Computing kpt #: 297 total cpu time spent up to now is 283.7 secs Computing kpt #: 298 total cpu time spent up to now is 284.7 secs Computing kpt #: 299 total cpu time spent up to now is 285.7 secs Computing kpt #: 300 total cpu time spent up to now is 287.1 secs Computing kpt #: 301 total cpu time spent up to now is 288.0 secs Computing kpt #: 302 total cpu time spent up to now is 288.9 secs Computing kpt #: 303 total cpu time spent up to now is 290.0 secs ethr = 2.27E-08, avg # of iterations = 56.7 total cpu time spent up to now is 290.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.2235 -3.2235 -2.6368 -2.6368 -0.9881 -0.9881 -0.9842 -0.9842 -0.8972 -0.8972 -0.7464 -0.7464 -0.2798 -0.2798 -0.2343 -0.2343 -0.2311 -0.2311 -0.0230 -0.0230 0.0596 0.0596 0.1373 0.1373 3.2084 3.2084 6.9485 6.9485 7.1004 7.1004 8.0205 8.0205 8.2924 8.2924 8.4167 8.4167 8.6233 8.6233 9.1186 9.1186 10.5942 10.5942 10.8325 10.8326 k = 0.0119 0.0069-0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7687 -13.7687 -3.2228 -3.2228 -2.6367 -2.6367 -0.9879 -0.9879 -0.9841 -0.9841 -0.8972 -0.8972 -0.7462 -0.7462 -0.2798 -0.2798 -0.2380 -0.2380 -0.2270 -0.2270 -0.0228 -0.0228 0.0594 0.0594 0.1374 0.1374 3.2099 3.2099 6.9412 6.9412 7.0926 7.0926 8.0201 8.0201 8.2740 8.2740 8.3864 8.3864 8.6714 8.6714 9.1217 9.1217 10.5969 10.5969 10.8377 10.8377 k = 0.0238 0.0137-0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8060 -13.8060 -13.7688 -13.7688 -3.2205 -3.2205 -2.6362 -2.6362 -0.9872 -0.9872 -0.9836 -0.9836 -0.8973 -0.8973 -0.7457 -0.7457 -0.2797 -0.2797 -0.2427 -0.2427 -0.2215 -0.2215 -0.0223 -0.0223 0.0587 0.0587 0.1378 0.1378 3.2143 3.2143 6.9172 6.9172 7.0729 7.0729 8.0101 8.0101 8.2196 8.2196 8.3528 8.3528 8.7650 8.7650 9.1314 9.1314 10.6047 10.6047 10.8531 10.8531 k = 0.0357 0.0206-0.0000 ( 4251 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8061 -13.8061 -13.7690 -13.7690 -3.2168 -3.2168 -2.6354 -2.6354 -0.9861 -0.9861 -0.9829 -0.9829 -0.8974 -0.8974 -0.7449 -0.7449 -0.2798 -0.2798 -0.2469 -0.2469 -0.2158 -0.2158 -0.0215 -0.0215 0.0576 0.0576 0.1385 0.1385 3.2216 3.2216 6.8722 6.8722 7.0495 7.0495 7.9633 7.9633 8.1702 8.1702 8.3340 8.3340 8.8665 8.8665 9.1497 9.1497 10.6168 10.6168 10.8785 10.8785 k = 0.0476 0.0275-0.0000 ( 4243 PWs) bands (ev): -32.9015 -32.9015 -14.1679 -14.1679 -13.8061 -13.8061 -13.7693 -13.7693 -3.2116 -3.2116 -2.6343 -2.6343 -0.9845 -0.9845 -0.9818 -0.9818 -0.8975 -0.8975 -0.7437 -0.7437 -0.2798 -0.2798 -0.2505 -0.2505 -0.2099 -0.2099 -0.0204 -0.0204 0.0561 0.0561 0.1396 0.1396 3.2319 3.2319 6.8058 6.8058 7.0280 7.0280 7.8689 7.8689 8.1509 8.1509 8.3194 8.3194 8.9653 8.9653 9.1795 9.1795 10.6321 10.6321 10.9130 10.9130 k = 0.0595 0.0344-0.0000 ( 4249 PWs) bands (ev): -32.9014 -32.9014 -14.1680 -14.1680 -13.8062 -13.8062 -13.7696 -13.7696 -3.2050 -3.2050 -2.6329 -2.6329 -0.9825 -0.9825 -0.9804 -0.9804 -0.8977 -0.8977 -0.7422 -0.7422 -0.2800 -0.2800 -0.2536 -0.2536 -0.2042 -0.2042 -0.0191 -0.0191 0.0542 0.0542 0.1410 0.1410 3.2450 3.2450 6.7218 6.7218 7.0086 7.0086 7.7496 7.7496 8.1410 8.1410 8.3055 8.3055 9.0559 9.0559 9.2246 9.2246 10.6496 10.6496 10.9554 10.9554 k = 0.0714 0.0412-0.0000 ( 4251 PWs) bands (ev): -32.9014 -32.9014 -14.1682 -14.1682 -13.8063 -13.8063 -13.7700 -13.7700 -3.1970 -3.1970 -2.6312 -2.6312 -0.9802 -0.9802 -0.9787 -0.9787 -0.8979 -0.8979 -0.7404 -0.7404 -0.2804 -0.2804 -0.2558 -0.2558 -0.1986 -0.1986 -0.0175 -0.0175 0.0519 0.0519 0.1429 0.1429 3.2610 3.2610 6.6253 6.6253 6.9897 6.9897 7.6203 7.6203 8.1261 8.1261 8.2904 8.2904 9.1350 9.1350 9.2879 9.2879 10.6684 10.6684 11.0040 11.0040 k = 0.0833 0.0481-0.0000 ( 4245 PWs) bands (ev): -32.9014 -32.9014 -14.1684 -14.1684 -13.8063 -13.8063 -13.7705 -13.7705 -3.1876 -3.1876 -2.6292 -2.6292 -0.9776 -0.9776 -0.9764 -0.9764 -0.8980 -0.8980 -0.7383 -0.7383 -0.2809 -0.2809 -0.2572 -0.2572 -0.1931 -0.1931 -0.0158 -0.0158 0.0493 0.0493 0.1454 0.1454 3.2797 3.2797 6.5201 6.5201 6.9703 6.9703 7.4865 7.4865 8.1026 8.1026 8.2717 8.2717 9.2043 9.2043 9.3666 9.3666 10.6878 10.6878 11.0575 11.0575 k = 0.0952 0.0550-0.0000 ( 4253 PWs) bands (ev): -32.9013 -32.9013 -14.1686 -14.1686 -13.8065 -13.8065 -13.7711 -13.7711 -3.1769 -3.1769 -2.6270 -2.6270 -0.9753 -0.9753 -0.9733 -0.9733 -0.8981 -0.8981 -0.7358 -0.7358 -0.2816 -0.2816 -0.2579 -0.2579 -0.1879 -0.1879 -0.0142 -0.0142 0.0465 0.0465 0.1485 0.1485 3.3012 3.3012 6.4088 6.4088 6.9497 6.9497 7.3508 7.3508 8.0714 8.0714 8.2472 8.2472 9.2688 9.2688 9.4536 9.4536 10.7076 10.7076 11.1150 11.1150 k = 0.1071 0.0619-0.0000 ( 4245 PWs) bands (ev): -32.9013 -32.9013 -14.1689 -14.1689 -13.8066 -13.8066 -13.7717 -13.7717 -3.1649 -3.1649 -2.6246 -2.6246 -0.9729 -0.9729 -0.9694 -0.9694 -0.8980 -0.8980 -0.7330 -0.7330 -0.2822 -0.2822 -0.2579 -0.2579 -0.1830 -0.1830 -0.0127 -0.0127 0.0437 0.0437 0.1523 0.1523 3.3254 3.3254 6.2930 6.2930 6.9276 6.9276 7.2144 7.2144 8.0342 8.0342 8.2159 8.2159 9.3317 9.3317 9.5431 9.5431 10.7278 10.7278 11.1760 11.1760 k = 0.1190 0.0687-0.0000 ( 4237 PWs) bands (ev): -32.9012 -32.9012 -14.1691 -14.1691 -13.8067 -13.8067 -13.7723 -13.7723 -3.1516 -3.1516 -2.6220 -2.6220 -0.9702 -0.9702 -0.9651 -0.9651 -0.8978 -0.8978 -0.7299 -0.7299 -0.2827 -0.2827 -0.2573 -0.2573 -0.1785 -0.1785 -0.0116 -0.0116 0.0412 0.0412 0.1569 0.1569 3.3521 3.3521 6.1741 6.1741 6.9039 6.9039 7.0784 7.0784 7.9925 7.9925 8.1780 8.1780 9.3936 9.3936 9.6310 9.6310 10.7491 10.7491 11.2402 11.2402 k = 0.1310 0.0756-0.0000 ( 4237 PWs) bands (ev): -32.9011 -32.9011 -14.1694 -14.1694 -13.8068 -13.8068 -13.7730 -13.7730 -3.1373 -3.1373 -2.6192 -2.6192 -0.9675 -0.9675 -0.9604 -0.9604 -0.8975 -0.8975 -0.7265 -0.7265 -0.2830 -0.2830 -0.2562 -0.2562 -0.1744 -0.1744 -0.0113 -0.0113 0.0391 0.0391 0.1622 0.1622 3.3814 3.3814 6.0528 6.0528 6.8783 6.8783 6.9436 6.9436 7.9474 7.9474 8.1340 8.1340 9.4543 9.4543 9.7143 9.7143 10.7728 10.7728 11.3069 11.3069 k = 0.1429 0.0825-0.0000 ( 4245 PWs) bands (ev): -32.9011 -32.9011 -14.1698 -14.1698 -13.8070 -13.8070 -13.7738 -13.7738 -3.1218 -3.1218 -2.6162 -2.6162 -0.9646 -0.9646 -0.9554 -0.9554 -0.8970 -0.8970 -0.7228 -0.7228 -0.2830 -0.2830 -0.2548 -0.2548 -0.1707 -0.1707 -0.0122 -0.0122 0.0377 0.0377 0.1685 0.1685 3.4130 3.4130 5.9299 5.9299 6.8090 6.8090 6.8525 6.8525 7.8996 7.8996 8.0849 8.0849 9.5133 9.5133 9.7895 9.7895 10.8009 10.8009 11.3754 11.3754 k = 0.1548 0.0894-0.0000 ( 4249 PWs) bands (ev): -32.9010 -32.9010 -14.1702 -14.1702 -13.8072 -13.8072 -13.7746 -13.7746 -3.1054 -3.1054 -2.6131 -2.6131 -0.9616 -0.9616 -0.9501 -0.9501 -0.8960 -0.8960 -0.7188 -0.7188 -0.2826 -0.2826 -0.2530 -0.2530 -0.1675 -0.1675 -0.0142 -0.0142 0.0373 0.0373 0.1756 0.1756 3.4469 3.4469 5.8059 5.8059 6.6778 6.6778 6.8238 6.8238 7.8499 7.8499 8.0316 8.0316 9.5700 9.5700 9.8535 9.8535 10.8361 10.8361 11.4443 11.4444 k = 0.1667 0.0962-0.0000 ( 4249 PWs) bands (ev): -32.9010 -32.9010 -14.1705 -14.1705 -13.8074 -13.8074 -13.7755 -13.7755 -3.0881 -3.0881 -2.6100 -2.6100 -0.9583 -0.9583 -0.9446 -0.9446 -0.8946 -0.8946 -0.7144 -0.7144 -0.2817 -0.2817 -0.2509 -0.2509 -0.1647 -0.1647 -0.0175 -0.0175 0.0378 0.0378 0.1837 0.1837 3.4830 3.4830 5.6814 5.6814 6.5486 6.5486 6.7941 6.7941 7.7985 7.7985 7.9749 7.9749 9.6243 9.6243 9.9035 9.9035 10.8807 10.8807 11.5106 11.5106 k = 0.1786 0.1031-0.0000 ( 4253 PWs) bands (ev): -32.9009 -32.9009 -14.1709 -14.1709 -13.8076 -13.8076 -13.7763 -13.7763 -3.0699 -3.0699 -2.6068 -2.6068 -0.9549 -0.9549 -0.9391 -0.9391 -0.8926 -0.8926 -0.7098 -0.7098 -0.2804 -0.2804 -0.2484 -0.2484 -0.1623 -0.1623 -0.0220 -0.0220 0.0390 0.0390 0.1926 0.1926 3.5210 3.5210 5.5566 5.5566 6.4220 6.4220 6.7634 6.7634 7.7457 7.7457 7.9158 7.9158 9.6757 9.6757 9.9383 9.9383 10.9363 10.9363 11.5655 11.5657 k = 0.1905 0.1100-0.0000 ( 4251 PWs) bands (ev): -32.9008 -32.9008 -14.1714 -14.1714 -13.8079 -13.8079 -13.7772 -13.7772 -3.0510 -3.0510 -2.6035 -2.6035 -0.9514 -0.9514 -0.9337 -0.9337 -0.8897 -0.8897 -0.7048 -0.7048 -0.2785 -0.2785 -0.2457 -0.2457 -0.1603 -0.1603 -0.0273 -0.0273 0.0409 0.0409 0.2024 0.2024 3.5608 3.5608 5.4319 5.4319 6.2985 6.2985 6.7316 6.7316 7.6916 7.6916 7.8552 7.8552 9.7235 9.7235 9.9587 9.9587 11.0024 11.0024 11.5889 11.5901 k = 0.2024 0.1168-0.0000 ( 4261 PWs) bands (ev): -32.9008 -32.9008 -14.1718 -14.1718 -13.8081 -13.8081 -13.7781 -13.7781 -3.0314 -3.0314 -2.6003 -2.6003 -0.9480 -0.9480 -0.9288 -0.9288 -0.8859 -0.8859 -0.6996 -0.6996 -0.2764 -0.2764 -0.2427 -0.2427 -0.1586 -0.1586 -0.0333 -0.0333 0.0430 0.0430 0.2130 0.2130 3.6023 3.6023 5.3078 5.3078 6.1782 6.1782 6.6991 6.6991 7.6362 7.6362 7.7939 7.7939 9.7663 9.7663 9.9680 9.9680 11.0771 11.0771 11.5951 11.5953 k = 0.2143 0.1237-0.0000 ( 4267 PWs) bands (ev): -32.9007 -32.9007 -14.1723 -14.1723 -13.8084 -13.8084 -13.7790 -13.7790 -3.0114 -3.0114 -2.5971 -2.5971 -0.9445 -0.9445 -0.9245 -0.9245 -0.8809 -0.8809 -0.6939 -0.6939 -0.2738 -0.2738 -0.2392 -0.2392 -0.1574 -0.1574 -0.0397 -0.0397 0.0454 0.0454 0.2243 0.2243 3.6451 3.6451 5.1846 5.1846 6.0616 6.0616 6.6659 6.6659 7.5792 7.5792 7.7328 7.7328 9.8011 9.8011 9.9718 9.9718 11.1571 11.1571 11.6036 11.6037 k = 0.2262 0.1306-0.0000 ( 4267 PWs) bands (ev): -32.9006 -32.9006 -14.1727 -14.1727 -13.8087 -13.8087 -13.7798 -13.7798 -2.9909 -2.9909 -2.5940 -2.5940 -0.9409 -0.9409 -0.9207 -0.9207 -0.8746 -0.8746 -0.6879 -0.6879 -0.2710 -0.2710 -0.2352 -0.2352 -0.1564 -0.1564 -0.0463 -0.0463 0.0480 0.0480 0.2363 0.2363 3.6890 3.6890 5.0626 5.0626 5.9489 5.9489 6.6322 6.6322 7.5201 7.5201 7.6730 7.6730 9.8221 9.8221 9.9789 9.9789 11.2388 11.2388 11.6152 11.6153 k = 0.2381 0.1375-0.0000 ( 4271 PWs) bands (ev): -32.9005 -32.9005 -14.1732 -14.1732 -13.8091 -13.8091 -13.7807 -13.7807 -2.9701 -2.9701 -2.5910 -2.5910 -0.9374 -0.9374 -0.9176 -0.9176 -0.8672 -0.8672 -0.6814 -0.6814 -0.2680 -0.2680 -0.2307 -0.2307 -0.1557 -0.1557 -0.0530 -0.0530 0.0506 0.0506 0.2486 0.2486 3.7335 3.7335 4.9425 4.9425 5.8403 5.8403 6.5983 6.5983 7.4588 7.4588 7.6152 7.6152 9.8242 9.8242 9.9968 9.9968 11.3186 11.3186 11.6300 11.6300 k = 0.2500 0.1443-0.0000 ( 4274 PWs) bands (ev): -32.9004 -32.9004 -14.1737 -14.1737 -13.8094 -13.8094 -13.7815 -13.7815 -2.9491 -2.9491 -2.5882 -2.5882 -0.9340 -0.9340 -0.9150 -0.9150 -0.8590 -0.8590 -0.6746 -0.6746 -0.2650 -0.2650 -0.2256 -0.2256 -0.1552 -0.1552 -0.0597 -0.0597 0.0533 0.0533 0.2614 0.2614 3.7781 3.7781 4.8246 4.8246 5.7363 5.7363 6.5642 6.5642 7.3950 7.3950 7.5602 7.5602 9.8097 9.8097 10.0253 10.0253 11.3932 11.3932 11.6480 11.6480 k = 0.2619 0.1512-0.0000 ( 4272 PWs) bands (ev): -32.9004 -32.9004 -14.1741 -14.1741 -13.8097 -13.8097 -13.7824 -13.7824 -2.9280 -2.9280 -2.5855 -2.5855 -0.9307 -0.9307 -0.9126 -0.9126 -0.8500 -0.8500 -0.6673 -0.6673 -0.2621 -0.2621 -0.2197 -0.2197 -0.1548 -0.1548 -0.0661 -0.0661 0.0561 0.0561 0.2742 0.2742 3.8221 3.8221 4.7097 4.7097 5.6373 5.6373 6.5303 6.5303 7.3287 7.3287 7.5083 7.5083 9.7849 9.7849 10.0598 10.0598 11.4593 11.4593 11.6690 11.6690 k = 0.2738 0.1581-0.0000 ( 4272 PWs) bands (ev): -32.9003 -32.9003 -14.1746 -14.1746 -13.8101 -13.8101 -13.7832 -13.7832 -2.9070 -2.9070 -2.5830 -2.5830 -0.9275 -0.9275 -0.9103 -0.9103 -0.8407 -0.8407 -0.6596 -0.6596 -0.2595 -0.2595 -0.2131 -0.2131 -0.1545 -0.1545 -0.0722 -0.0722 0.0589 0.0589 0.2872 0.2872 3.8645 3.8645 4.5988 4.5988 5.5436 5.5436 6.4967 6.4967 7.2602 7.2602 7.4596 7.4596 9.7547 9.7547 10.0967 10.0967 11.5138 11.5138 11.6930 11.6930 k = 0.2857 0.1650-0.0000 ( 4272 PWs) bands (ev): -32.9002 -32.9002 -14.1751 -14.1751 -13.8105 -13.8105 -13.7839 -13.7839 -2.8860 -2.8860 -2.5807 -2.5807 -0.9245 -0.9245 -0.9081 -0.9081 -0.8311 -0.8311 -0.6515 -0.6515 -0.2572 -0.2572 -0.2061 -0.2061 -0.1540 -0.1540 -0.0779 -0.0779 0.0619 0.0619 0.2999 0.2999 3.9036 3.9036 4.4931 4.4931 5.4558 5.4558 6.4636 6.4636 7.1901 7.1901 7.4139 7.4139 9.7216 9.7216 10.1343 10.1343 11.5527 11.5527 11.7197 11.7197 k = 0.2976 0.1718-0.0000 ( 4268 PWs) bands (ev): -32.9001 -32.9001 -14.1755 -14.1755 -13.8109 -13.8109 -13.7846 -13.7846 -2.8653 -2.8653 -2.5787 -2.5787 -0.9217 -0.9217 -0.9060 -0.9060 -0.8214 -0.8214 -0.6429 -0.6429 -0.2552 -0.2552 -0.1990 -0.1990 -0.1530 -0.1530 -0.0828 -0.0828 0.0652 0.0652 0.3123 0.3123 3.9364 3.9364 4.3955 4.3955 5.3746 5.3746 6.4312 6.4312 7.1187 7.1187 7.3711 7.3711 9.6873 9.6873 10.1716 10.1716 11.5717 11.5717 11.7490 11.7490 k = 0.3095 0.1787-0.0000 ( 4268 PWs) bands (ev): -32.9000 -32.9000 -14.1760 -14.1760 -13.8113 -13.8113 -13.7853 -13.7853 -2.8449 -2.8449 -2.5770 -2.5770 -0.9191 -0.9191 -0.9039 -0.9039 -0.8118 -0.8118 -0.6340 -0.6340 -0.2536 -0.2536 -0.1925 -0.1925 -0.1510 -0.1510 -0.0869 -0.0869 0.0687 0.0687 0.3240 0.3240 3.9572 3.9572 4.3112 4.3112 5.3008 5.3008 6.3995 6.3995 7.0465 7.0465 7.3311 7.3311 9.6527 9.6527 10.2081 10.2081 11.5683 11.5683 11.7809 11.7809 k = 0.3214 0.1856-0.0000 ( 4262 PWs) bands (ev): -32.9000 -32.9000 -14.1764 -14.1764 -13.8117 -13.8117 -13.7859 -13.7859 -2.8250 -2.8250 -2.5756 -2.5756 -0.9167 -0.9167 -0.9018 -0.9018 -0.8024 -0.8024 -0.6247 -0.6247 -0.2522 -0.2522 -0.1878 -0.1878 -0.1473 -0.1473 -0.0897 -0.0897 0.0727 0.0727 0.3351 0.3351 3.9560 3.9560 4.2495 4.2495 5.2353 5.2353 6.3689 6.3689 6.9739 6.9739 7.2937 7.2937 9.6185 9.6185 10.2436 10.2436 11.5447 11.5447 11.8152 11.8152 k = 0.3333 0.1925-0.0000 ( 4260 PWs) bands (ev): -32.8999 -32.8999 -14.1769 -14.1769 -13.8121 -13.8121 -13.7865 -13.7865 -2.8056 -2.8056 -2.5745 -2.5745 -0.9145 -0.9145 -0.8997 -0.8997 -0.7934 -0.7934 -0.6152 -0.6152 -0.2512 -0.2512 -0.1853 -0.1853 -0.1419 -0.1419 -0.0909 -0.0909 0.0773 0.0773 0.3451 0.3451 3.9236 3.9236 4.2187 4.2187 5.1793 5.1793 6.3395 6.3395 6.9012 6.9012 7.2588 7.2588 9.5852 9.5852 10.2779 10.2779 11.5062 11.5062 11.8518 11.8518 k = 0.3452 0.1993-0.0000 ( 4262 PWs) bands (ev): -32.8998 -32.8998 -14.1773 -14.1773 -13.8125 -13.8125 -13.7871 -13.7871 -2.7868 -2.7868 -2.5738 -2.5738 -0.9124 -0.9124 -0.8977 -0.8977 -0.7849 -0.7849 -0.6056 -0.6056 -0.2505 -0.2505 -0.1851 -0.1851 -0.1359 -0.1359 -0.0896 -0.0896 0.0825 0.0825 0.3538 0.3538 3.8655 3.8655 4.2126 4.2126 5.1341 5.1341 6.3113 6.3113 6.8288 6.8288 7.2263 7.2263 9.5531 9.5531 10.3109 10.3109 11.4583 11.4583 11.8902 11.8902 k = 0.3571 0.2062-0.0000 ( 4250 PWs) bands (ev): -32.8998 -32.8998 -14.1777 -14.1777 -13.8129 -13.8129 -13.7875 -13.7875 -2.7687 -2.7687 -2.5735 -2.5735 -0.9105 -0.9105 -0.8958 -0.8958 -0.7767 -0.7767 -0.5958 -0.5958 -0.2499 -0.2499 -0.1864 -0.1864 -0.1307 -0.1307 -0.0851 -0.0851 0.0889 0.0889 0.3613 0.3613 3.7952 3.7952 4.2169 4.2169 5.1006 5.1006 6.2847 6.2847 6.7570 6.7570 7.1963 7.1963 9.5225 9.5225 10.3424 10.3424 11.4056 11.4056 11.9304 11.9304 k = 0.3690 0.2131-0.0000 ( 4250 PWs) bands (ev): -32.8997 -32.8997 -14.1781 -14.1781 -13.8133 -13.8133 -13.7880 -13.7880 -2.7513 -2.7513 -2.5736 -2.5736 -0.9086 -0.9086 -0.8940 -0.8940 -0.7692 -0.7692 -0.5862 -0.5862 -0.2495 -0.2495 -0.1889 -0.1889 -0.1273 -0.1273 -0.0774 -0.0774 0.0964 0.0964 0.3670 0.3670 3.7218 3.7218 4.2217 4.2217 5.0796 5.0796 6.2596 6.2596 6.6861 6.6861 7.1687 7.1687 9.4936 9.4936 10.3723 10.3723 11.3512 11.3512 11.9719 11.9719 k = 0.3810 0.2199-0.0000 ( 4254 PWs) bands (ev): -32.8996 -32.8996 -14.1784 -14.1784 -13.8137 -13.8137 -13.7884 -13.7884 -2.7347 -2.7347 -2.5741 -2.5741 -0.9070 -0.9070 -0.8925 -0.8925 -0.7623 -0.7623 -0.5769 -0.5769 -0.2492 -0.2492 -0.1921 -0.1921 -0.1256 -0.1256 -0.0676 -0.0676 0.1054 0.1054 0.3708 0.3708 3.6500 3.6500 4.2230 4.2230 5.0712 5.0712 6.2363 6.2363 6.6164 6.6164 7.1435 7.1435 9.4666 9.4666 10.4006 10.4006 11.2972 11.2972 12.0143 12.0143 k = 0.3929 0.2268-0.0000 ( 4258 PWs) bands (ev): -32.8996 -32.8996 -14.1788 -14.1788 -13.8141 -13.8141 -13.7888 -13.7888 -2.7191 -2.7191 -2.5750 -2.5750 -0.9054 -0.9054 -0.8912 -0.8912 -0.7561 -0.7561 -0.5679 -0.5679 -0.2490 -0.2490 -0.1956 -0.1956 -0.1248 -0.1248 -0.0568 -0.0568 0.1161 0.1161 0.3727 0.3727 3.5819 3.5819 4.2192 4.2192 5.0745 5.0745 6.2149 6.2149 6.5484 6.5484 7.1206 7.1206 9.4417 9.4417 10.4271 10.4271 11.2451 11.2451 12.0571 12.0571 k = 0.4048 0.2337-0.0000 ( 4254 PWs) bands (ev): -32.8995 -32.8995 -14.1791 -14.1791 -13.8144 -13.8144 -13.7891 -13.7891 -2.7043 -2.7043 -2.5765 -2.5765 -0.9038 -0.9038 -0.8900 -0.8900 -0.7505 -0.7505 -0.5594 -0.5594 -0.2488 -0.2488 -0.1994 -0.1994 -0.1245 -0.1245 -0.0462 -0.0462 0.1290 0.1290 0.3724 0.3724 3.5188 3.5188 4.2107 4.2107 5.0879 5.0879 6.1954 6.1954 6.4827 6.4827 7.1002 7.1002 9.4189 9.4189 10.4519 10.4519 11.1961 11.1961 12.0999 12.1000 k = 0.4167 0.2406-0.0000 ( 4252 PWs) bands (ev): -32.8995 -32.8995 -14.1793 -14.1793 -13.8147 -13.8147 -13.7894 -13.7894 -2.6905 -2.6905 -2.5784 -2.5784 -0.9024 -0.9024 -0.8890 -0.8890 -0.7455 -0.7455 -0.5515 -0.5515 -0.2485 -0.2485 -0.2032 -0.2032 -0.1244 -0.1244 -0.0365 -0.0365 0.1439 0.1439 0.3698 0.3698 3.4617 3.4617 4.1988 4.1988 5.1092 5.1092 6.1780 6.1780 6.4199 6.4199 7.0821 7.0821 9.3986 9.3986 10.4747 10.4747 11.1508 11.1508 12.1420 12.1420 k = 0.4286 0.2474-0.0000 ( 4258 PWs) bands (ev): -32.8995 -32.8995 -14.1796 -14.1796 -13.8150 -13.8150 -13.7896 -13.7896 -2.6777 -2.6777 -2.5808 -2.5808 -0.9012 -0.9012 -0.8882 -0.8882 -0.7412 -0.7412 -0.5446 -0.5446 -0.2482 -0.2482 -0.2070 -0.2070 -0.1243 -0.1243 -0.0282 -0.0282 0.1607 0.1607 0.3648 0.3648 3.4111 3.4111 4.1850 4.1850 5.1357 5.1357 6.1627 6.1627 6.3607 6.3607 7.0665 7.0665 9.3806 9.3806 10.4955 10.4955 11.1099 11.1099 12.1825 12.1826 k = 0.4405 0.2543-0.0000 ( 4264 PWs) bands (ev): -32.8994 -32.8994 -14.1798 -14.1798 -13.8153 -13.8153 -13.7898 -13.7898 -2.6660 -2.6660 -2.5837 -2.5837 -0.9000 -0.9000 -0.8876 -0.8876 -0.7376 -0.7376 -0.5384 -0.5384 -0.2477 -0.2477 -0.2106 -0.2106 -0.1244 -0.1244 -0.0213 -0.0213 0.1791 0.1791 0.3574 0.3574 3.3675 3.3675 4.1708 4.1708 5.1650 5.1650 6.1497 6.1497 6.3064 6.3064 7.0532 7.0532 9.3653 9.3653 10.5139 10.5139 11.0740 11.0740 12.2203 12.2205 k = 0.4524 0.2612-0.0000 ( 4262 PWs) bands (ev): -32.8994 -32.8994 -14.1800 -14.1800 -13.8155 -13.8155 -13.7900 -13.7900 -2.6554 -2.6554 -2.5869 -2.5869 -0.8990 -0.8990 -0.8872 -0.8872 -0.7346 -0.7346 -0.5333 -0.5333 -0.2472 -0.2472 -0.2139 -0.2139 -0.1244 -0.1244 -0.0158 -0.0158 0.1986 0.1986 0.3478 0.3478 3.3314 3.3314 4.1575 4.1575 5.1942 5.1942 6.1389 6.1389 6.2583 6.2583 7.0423 7.0423 9.3526 9.3526 10.5299 10.5299 11.0436 11.0436 12.2542 12.2552 k = 0.4643 0.2681-0.0000 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1801 -14.1801 -13.8157 -13.8157 -13.7901 -13.7901 -2.6461 -2.6461 -2.5905 -2.5905 -0.8982 -0.8982 -0.8870 -0.8870 -0.7324 -0.7324 -0.5292 -0.5292 -0.2466 -0.2466 -0.2168 -0.2168 -0.1245 -0.1245 -0.0118 -0.0118 0.2185 0.2185 0.3361 0.3361 3.3029 3.3029 4.1462 4.1462 5.2208 5.2208 6.1305 6.1305 6.2179 6.2179 7.0339 7.0339 9.3426 9.3426 10.5429 10.5429 11.0192 11.0192 12.2826 12.2844 k = 0.4762 0.2749-0.0000 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1802 -14.1802 -13.8158 -13.8158 -13.7902 -13.7902 -2.6385 -2.6385 -2.5940 -2.5940 -0.8976 -0.8976 -0.8868 -0.8868 -0.7307 -0.7307 -0.5263 -0.5263 -0.2460 -0.2460 -0.2190 -0.2190 -0.1245 -0.1245 -0.0090 -0.0090 0.2378 0.2378 0.3230 0.3230 3.2825 3.2825 4.1375 4.1375 5.2422 5.2422 6.1245 6.1245 6.1871 6.1871 7.0278 7.0278 9.3354 9.3354 10.5526 10.5526 11.0012 11.0012 12.3060 12.3093 k = 0.4881 0.2818-0.0000 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6331 -2.6331 -2.5969 -2.5969 -0.8972 -0.8972 -0.8867 -0.8867 -0.7297 -0.7297 -0.5245 -0.5245 -0.2456 -0.2456 -0.2204 -0.2204 -0.1244 -0.1244 -0.0074 -0.0074 0.2545 0.2545 0.3102 0.3102 3.2701 3.2701 4.1321 4.1321 5.2561 5.2561 6.1210 6.1210 6.1677 6.1677 7.0242 7.0242 9.3311 9.3311 10.5587 10.5587 10.9902 10.9902 12.3199 12.3362 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6311 -2.6311 -2.5981 -2.5981 -0.8970 -0.8970 -0.8866 -0.8866 -0.7292 -0.7292 -0.5239 -0.5239 -0.2454 -0.2454 -0.2207 -0.2207 -0.1244 -0.1244 -0.0068 -0.0068 0.2626 0.2626 0.3036 0.3036 3.2660 3.2660 4.1303 4.1303 5.2610 5.2610 6.1198 6.1198 6.1611 6.1611 7.0230 7.0230 9.3297 9.3297 10.5607 10.5607 10.9865 10.9865 12.3391 12.3421 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6311 -2.6311 -2.5981 -2.5981 -0.8970 -0.8970 -0.8866 -0.8866 -0.7292 -0.7292 -0.5239 -0.5239 -0.2454 -0.2454 -0.2207 -0.2207 -0.1244 -0.1244 -0.0068 -0.0068 0.2626 0.2626 0.3036 0.3036 3.2660 3.2660 4.1303 4.1303 5.2610 5.2610 6.1198 6.1198 6.1611 6.1611 7.0230 7.0230 9.3297 9.3297 10.5607 10.5607 10.9865 10.9865 12.3372 12.3404 k = 0.4931 0.3007-0.0000 ( 4262 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6310 -2.6310 -2.5979 -2.5979 -0.8975 -0.8975 -0.8861 -0.8861 -0.7293 -0.7293 -0.5238 -0.5238 -0.2454 -0.2454 -0.2205 -0.2205 -0.1244 -0.1244 -0.0069 -0.0069 0.2625 0.2625 0.3042 0.3042 3.2673 3.2673 4.1297 4.1297 5.2623 5.2623 6.1093 6.1093 6.1623 6.1623 7.0197 7.0197 9.3412 9.3412 10.5623 10.5623 10.9863 10.9863 12.3231 12.3425 k = 0.4861 0.3127-0.0000 ( 4274 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7905 -13.7905 -2.6308 -2.6308 -2.5973 -2.5973 -0.8987 -0.8987 -0.8848 -0.8848 -0.7297 -0.7297 -0.5237 -0.5237 -0.2454 -0.2454 -0.2199 -0.2199 -0.1244 -0.1244 -0.0071 -0.0071 0.2623 0.2623 0.3061 0.3061 3.2712 3.2712 4.1277 4.1277 5.2660 5.2660 6.0800 6.0800 6.1642 6.1642 7.0099 7.0099 9.3751 9.3751 10.5672 10.5672 10.9857 10.9857 12.3200 12.3256 k = 0.4792 0.3248-0.0000 ( 4274 PWs) bands (ev): -32.8994 -32.8994 -14.1804 -14.1804 -13.8157 -13.8157 -13.7906 -13.7906 -2.6304 -2.6304 -2.5964 -2.5964 -0.9002 -0.9002 -0.8830 -0.8830 -0.7302 -0.7302 -0.5233 -0.5233 -0.2452 -0.2452 -0.2188 -0.2188 -0.1243 -0.1243 -0.0075 -0.0075 0.2621 0.2621 0.3093 0.3093 3.2776 3.2776 4.1245 4.1245 5.2723 5.2723 6.0343 6.0343 6.1656 6.1656 6.9940 6.9940 9.4301 9.4301 10.5751 10.5751 10.9846 10.9846 12.2957 12.2958 k = 0.4722 0.3368-0.0000 ( 4271 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8156 -13.8156 -13.7909 -13.7909 -2.6298 -2.6298 -2.5951 -2.5951 -0.9019 -0.9019 -0.8810 -0.8810 -0.7309 -0.7309 -0.5228 -0.5228 -0.2448 -0.2448 -0.2172 -0.2172 -0.1242 -0.1242 -0.0081 -0.0081 0.2619 0.2619 0.3137 0.3137 3.2867 3.2867 4.1199 4.1199 5.2811 5.2811 5.9741 5.9741 6.1665 6.1665 6.9722 6.9722 9.5041 9.5041 10.5856 10.5856 10.9829 10.9829 12.2554 12.2555 k = 0.4653 0.3488-0.0000 ( 4271 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8155 -13.8155 -13.7911 -13.7911 -2.6291 -2.6291 -2.5935 -2.5935 -0.9036 -0.9036 -0.8788 -0.8788 -0.7318 -0.7318 -0.5222 -0.5222 -0.2441 -0.2441 -0.2154 -0.2154 -0.1241 -0.1241 -0.0089 -0.0089 0.2619 0.2619 0.3190 0.3190 3.2982 3.2982 4.1141 4.1141 5.2923 5.2923 5.9015 5.9015 6.1670 6.1670 6.9452 6.9452 9.5946 9.5946 10.5982 10.5982 10.9806 10.9806 12.2011 12.2011 k = 0.4583 0.3608-0.0000 ( 4271 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8153 -13.8153 -13.7915 -13.7915 -2.6282 -2.6282 -2.5916 -2.5916 -0.9052 -0.9052 -0.8765 -0.8765 -0.7329 -0.7329 -0.5215 -0.5215 -0.2431 -0.2431 -0.2134 -0.2134 -0.1238 -0.1238 -0.0102 -0.0102 0.2622 0.2622 0.3254 0.3254 3.3123 3.3123 4.1069 4.1069 5.3059 5.3059 5.8187 5.8187 6.1672 6.1672 6.9137 6.9137 9.6990 9.6990 10.6127 10.6127 10.9774 10.9774 12.1350 12.1350 k = 0.4514 0.3729-0.0000 ( 4271 PWs) bands (ev): -32.8993 -32.8993 -14.1805 -14.1805 -13.8151 -13.8151 -13.7919 -13.7919 -2.6271 -2.6271 -2.5894 -2.5894 -0.9069 -0.9069 -0.8742 -0.8742 -0.7341 -0.7341 -0.5206 -0.5206 -0.2418 -0.2418 -0.2112 -0.2112 -0.1235 -0.1235 -0.0118 -0.0118 0.2627 0.2627 0.3326 0.3326 3.3289 3.3289 4.0984 4.0984 5.3219 5.3219 5.7280 5.7280 6.1668 6.1668 6.8782 6.8782 9.8144 9.8144 10.6284 10.6284 10.9731 10.9731 12.0602 12.0602 k = 0.4444 0.3849-0.0000 ( 4279 PWs) bands (ev): -32.8993 -32.8993 -14.1806 -14.1806 -13.8148 -13.8148 -13.7924 -13.7924 -2.6259 -2.6259 -2.5871 -2.5871 -0.9085 -0.9085 -0.8719 -0.8719 -0.7354 -0.7354 -0.5197 -0.5197 -0.2403 -0.2403 -0.2087 -0.2087 -0.1232 -0.1232 -0.0139 -0.0139 0.2635 0.2635 0.3405 0.3405 3.3479 3.3479 4.0887 4.0887 5.3402 5.3402 5.6315 5.6315 6.1658 6.1658 6.8397 6.8397 9.9382 9.9382 10.6450 10.6450 10.9675 10.9675 11.9802 11.9802 k = 0.4375 0.3969-0.0000 ( 4281 PWs) bands (ev): -32.8993 -32.8993 -14.1806 -14.1806 -13.8146 -13.8146 -13.7930 -13.7930 -2.6245 -2.6245 -2.5846 -2.5846 -0.9100 -0.9100 -0.8696 -0.8696 -0.7369 -0.7369 -0.5186 -0.5186 -0.2385 -0.2385 -0.2060 -0.2060 -0.1227 -0.1227 -0.0165 -0.0165 0.2647 0.2647 0.3491 0.3491 3.3693 3.3693 4.0777 4.0777 5.3605 5.3605 5.5313 5.5313 6.1640 6.1640 6.7988 6.7988 10.0679 10.0679 10.6622 10.6622 10.9602 10.9602 11.8986 11.8986 k = 0.4306 0.4090-0.0000 ( 4287 PWs) bands (ev): -32.8993 -32.8993 -14.1807 -14.1807 -13.8143 -13.8143 -13.7935 -13.7935 -2.6230 -2.6230 -2.5819 -2.5819 -0.9114 -0.9114 -0.8673 -0.8673 -0.7384 -0.7384 -0.5174 -0.5174 -0.2365 -0.2365 -0.2030 -0.2030 -0.1223 -0.1223 -0.0195 -0.0195 0.2661 0.2661 0.3581 0.3581 3.3930 3.3930 4.0654 4.0654 5.3802 5.3802 5.4317 5.4317 6.1612 6.1612 6.7564 6.7564 10.2008 10.2008 10.6797 10.6797 10.9510 10.9510 11.8185 11.8185 k = 0.4236 0.4210-0.0000 ( 4283 PWs) bands (ev): -32.8993 -32.8993 -14.1808 -14.1808 -13.8139 -13.8139 -13.7941 -13.7941 -2.6213 -2.6213 -2.5792 -2.5792 -0.9127 -0.9127 -0.8651 -0.8651 -0.7400 -0.7400 -0.5160 -0.5160 -0.2344 -0.2344 -0.1996 -0.1996 -0.1217 -0.1217 -0.0230 -0.0230 0.2678 0.2678 0.3677 0.3677 3.4190 3.4190 4.0520 4.0520 5.3206 5.3206 5.4127 5.4127 6.1572 6.1572 6.7133 6.7133 10.3342 10.3342 10.6977 10.6977 10.9396 10.9396 11.7427 11.7427 k = 0.4167 0.4330-0.0000 ( 4283 PWs) bands (ev): -32.8992 -32.8992 -14.1808 -14.1808 -13.8136 -13.8136 -13.7947 -13.7947 -2.6195 -2.6195 -2.5765 -2.5765 -0.9138 -0.9138 -0.8628 -0.8628 -0.7415 -0.7415 -0.5146 -0.5146 -0.2323 -0.2323 -0.1957 -0.1957 -0.1211 -0.1211 -0.0270 -0.0270 0.2698 0.2698 0.3776 0.3776 3.4471 3.4471 4.0374 4.0374 5.2185 5.2185 5.4387 5.4387 6.1516 6.1516 6.6700 6.6700 10.4646 10.4646 10.7164 10.7164 10.9259 10.9259 11.6738 11.6738 k = 0.4097 0.4450-0.0000 ( 4291 PWs) bands (ev): -32.8992 -32.8992 -14.1809 -14.1809 -13.8133 -13.8133 -13.7954 -13.7954 -2.6177 -2.6177 -2.5738 -2.5738 -0.9149 -0.9149 -0.8607 -0.8607 -0.7432 -0.7432 -0.5132 -0.5132 -0.2305 -0.2305 -0.1913 -0.1913 -0.1204 -0.1204 -0.0314 -0.0314 0.2721 0.2721 0.3875 0.3875 3.4771 3.4771 4.0218 4.0218 5.1170 5.1170 5.4678 5.4678 6.1444 6.1444 6.6274 6.6274 10.5871 10.5871 10.7370 10.7370 10.9104 10.9104 11.6146 11.6146 k = 0.4028 0.4571-0.0000 ( 4295 PWs) bands (ev): -32.8992 -32.8992 -14.1810 -14.1810 -13.8129 -13.8129 -13.7961 -13.7961 -2.6157 -2.6157 -2.5712 -2.5712 -0.9159 -0.9159 -0.8587 -0.8587 -0.7447 -0.7447 -0.5117 -0.5117 -0.2288 -0.2288 -0.1865 -0.1865 -0.1198 -0.1198 -0.0362 -0.0362 0.2745 0.2745 0.3973 0.3973 3.5089 3.5089 4.0052 4.0052 5.0179 5.0179 5.4991 5.4991 6.1351 6.1351 6.5860 6.5860 10.6890 10.6890 10.7654 10.7654 10.8961 10.8961 11.5680 11.5680 k = 0.3958 0.4691-0.0000 ( 4299 PWs) bands (ev): -32.8992 -32.8992 -14.1811 -14.1811 -13.8125 -13.8125 -13.7967 -13.7967 -2.6137 -2.6137 -2.5687 -2.5687 -0.9168 -0.9168 -0.8567 -0.8567 -0.7462 -0.7462 -0.5101 -0.5101 -0.2274 -0.2274 -0.1812 -0.1812 -0.1190 -0.1190 -0.0412 -0.0412 0.2772 0.2772 0.4070 0.4070 3.5423 3.5423 3.9879 3.9879 4.9224 4.9224 5.5324 5.5324 6.1236 6.1236 6.5464 6.5464 10.7436 10.7436 10.8072 10.8072 10.8996 10.8996 11.5377 11.5377 k = 0.3889 0.4811-0.0000 ( 4307 PWs) bands (ev): -32.8992 -32.8992 -14.1812 -14.1812 -13.8122 -13.8122 -13.7974 -13.7974 -2.6117 -2.6117 -2.5664 -2.5664 -0.9176 -0.9176 -0.8549 -0.8549 -0.7476 -0.7476 -0.5086 -0.5086 -0.2263 -0.2263 -0.1757 -0.1757 -0.1184 -0.1184 -0.0464 -0.0464 0.2800 0.2800 0.4161 0.4161 3.5769 3.5769 3.9699 3.9699 4.8316 4.8316 5.5674 5.5674 6.1096 6.1096 6.5091 6.5091 10.7676 10.7676 10.8136 10.8136 10.9484 10.9484 11.5280 11.5280 k = 0.3819 0.4932-0.0000 ( 4305 PWs) bands (ev): -32.8992 -32.8992 -14.1812 -14.1812 -13.8118 -13.8118 -13.7980 -13.7980 -2.6097 -2.6097 -2.5643 -2.5643 -0.9182 -0.9182 -0.8532 -0.8532 -0.7489 -0.7489 -0.5070 -0.5070 -0.2254 -0.2254 -0.1699 -0.1699 -0.1176 -0.1176 -0.0516 -0.0516 0.2830 0.2830 0.4246 0.4246 3.6123 3.6123 3.9516 3.9516 4.7465 4.7465 5.6040 5.6040 6.0928 6.0928 6.4746 6.4746 10.7748 10.7748 10.8072 10.8072 11.0015 11.0015 11.5427 11.5427 k = 0.3750 0.5052-0.0000 ( 4305 PWs) bands (ev): -32.8992 -32.8992 -14.1813 -14.1813 -13.8114 -13.8114 -13.7986 -13.7986 -2.6078 -2.6078 -2.5625 -2.5625 -0.9187 -0.9187 -0.8516 -0.8516 -0.7500 -0.7500 -0.5054 -0.5054 -0.2248 -0.2248 -0.1641 -0.1641 -0.1169 -0.1169 -0.0568 -0.0568 0.2861 0.2861 0.4322 0.4322 3.6477 3.6477 3.9332 3.9332 4.6682 4.6682 5.6422 5.6422 6.0732 6.0732 6.4432 6.4432 10.7572 10.7572 10.8199 10.8199 11.0348 11.0348 11.5816 11.5816 k = 0.3681 0.5172-0.0000 ( 4309 PWs) bands (ev): -32.8992 -32.8992 -14.1814 -14.1814 -13.8111 -13.8111 -13.7991 -13.7991 -2.6060 -2.6060 -2.5609 -2.5609 -0.9191 -0.9191 -0.8503 -0.8503 -0.7510 -0.7510 -0.5041 -0.5041 -0.2243 -0.2243 -0.1586 -0.1586 -0.1160 -0.1160 -0.0619 -0.0619 0.2891 0.2891 0.4388 0.4388 3.6825 3.6825 3.9152 3.9152 4.5978 4.5978 5.6815 5.6815 6.0506 6.0506 6.4155 6.4155 10.7337 10.7337 10.8390 10.8390 11.0479 11.0479 11.6385 11.6385 k = 0.3611 0.5292-0.0000 ( 4305 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8108 -13.8108 -13.7996 -13.7996 -2.6044 -2.6044 -2.5596 -2.5596 -0.9194 -0.9194 -0.8491 -0.8491 -0.7517 -0.7517 -0.5028 -0.5028 -0.2240 -0.2240 -0.1536 -0.1536 -0.1151 -0.1151 -0.0665 -0.0665 0.2920 0.2920 0.4442 0.4442 3.7153 3.7153 3.8980 3.8980 4.5368 4.5368 5.7219 5.7219 6.0247 6.0247 6.3918 6.3918 10.7112 10.7112 10.8599 10.8599 11.0463 11.0463 11.7050 11.7050 k = 0.3542 0.5413-0.0000 ( 4295 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8106 -13.8106 -13.7999 -13.7999 -2.6029 -2.6029 -2.5586 -2.5586 -0.9196 -0.9196 -0.8481 -0.8481 -0.7523 -0.7523 -0.5016 -0.5016 -0.2238 -0.2238 -0.1493 -0.1493 -0.1141 -0.1141 -0.0705 -0.0705 0.2948 0.2948 0.4485 0.4485 3.7445 3.7445 3.8826 3.8826 4.4868 4.4868 5.7631 5.7631 5.9955 5.9955 6.3726 6.3726 10.6922 10.6922 10.8819 10.8819 11.0352 11.0352 11.7739 11.7739 k = 0.3472 0.5533-0.0000 ( 4287 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8104 -13.8104 -13.8002 -13.8002 -2.6018 -2.6018 -2.5579 -2.5579 -0.9197 -0.9197 -0.8473 -0.8473 -0.7527 -0.7527 -0.5007 -0.5007 -0.2236 -0.2236 -0.1462 -0.1462 -0.1131 -0.1131 -0.0738 -0.0738 0.2970 0.2970 0.4515 0.4515 3.7675 3.7675 3.8703 3.8703 4.4494 4.4494 5.8047 5.8047 5.9630 5.9630 6.3582 6.3582 10.6778 10.6778 10.9048 10.9048 11.0182 11.0182 11.8395 11.8395 k = 0.3403 0.5653-0.0000 ( 4285 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.6010 -2.6010 -2.5576 -2.5576 -0.9198 -0.9198 -0.8469 -0.8469 -0.7529 -0.7529 -0.5001 -0.5001 -0.2236 -0.2236 -0.1443 -0.1443 -0.1123 -0.1123 -0.0758 -0.0758 0.2986 0.2986 0.4531 0.4531 3.7817 3.7817 3.8629 3.8629 4.4263 4.4263 5.8463 5.8463 5.9271 5.9271 6.3493 6.3493 10.6688 10.6688 10.9269 10.9269 10.9988 10.9988 11.8965 11.8965 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6007 -2.6007 -2.5575 -2.5575 -0.9198 -0.9198 -0.8467 -0.8467 -0.7529 -0.7529 -0.4999 -0.4999 -0.2236 -0.2236 -0.1437 -0.1437 -0.1120 -0.1120 -0.0765 -0.0765 0.2993 0.2993 0.4536 0.4536 3.7859 3.7859 3.8609 3.8609 4.4185 4.4185 5.8844 5.8844 5.8910 5.8910 6.3462 6.3462 10.6657 10.6657 10.9397 10.9397 10.9868 10.9868 11.9303 11.9303 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6007 -2.6007 -2.5575 -2.5575 -0.9198 -0.9198 -0.8467 -0.8467 -0.7529 -0.7529 -0.4999 -0.4999 -0.2236 -0.2236 -0.1437 -0.1437 -0.1120 -0.1120 -0.0765 -0.0765 0.2993 0.2993 0.4536 0.4536 3.7859 3.7859 3.8609 3.8609 4.4185 4.4185 5.8844 5.8844 5.8910 5.8910 6.3462 6.3462 10.6657 10.6657 10.9397 10.9397 10.9868 10.9868 11.9303 11.9305 k = 0.3264 0.5653-0.0000 ( 4287 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.6011 -2.6011 -2.5576 -2.5576 -0.9198 -0.9198 -0.8469 -0.8469 -0.7529 -0.7529 -0.5002 -0.5002 -0.2236 -0.2236 -0.1443 -0.1443 -0.1123 -0.1123 -0.0759 -0.0759 0.2985 0.2985 0.4532 0.4532 3.7832 3.7832 3.8617 3.8617 4.4261 4.4261 5.8451 5.8451 5.9282 5.9282 6.3494 6.3494 10.6688 10.6688 10.9253 10.9253 11.0007 11.0007 11.9041 11.9041 k = 0.3194 0.5533-0.0000 ( 4293 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8104 -13.8104 -13.8002 -13.8002 -2.6021 -2.6021 -2.5578 -2.5578 -0.9198 -0.9198 -0.8474 -0.8474 -0.7528 -0.7528 -0.5009 -0.5009 -0.2236 -0.2236 -0.1458 -0.1458 -0.1132 -0.1132 -0.0742 -0.0742 0.2961 0.2961 0.4520 0.4520 3.7781 3.7781 3.8625 3.8625 4.4478 4.4478 5.7999 5.7999 5.9670 5.9670 6.3595 6.3595 10.6779 10.6779 10.8971 10.8971 11.0277 11.0277 11.8677 11.8677 k = 0.3125 0.5413-0.0000 ( 4289 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8105 -13.8105 -13.7999 -13.7999 -2.6040 -2.6040 -2.5581 -2.5581 -0.9196 -0.9196 -0.8481 -0.8481 -0.7525 -0.7525 -0.5021 -0.5021 -0.2234 -0.2234 -0.1481 -0.1481 -0.1145 -0.1145 -0.0717 -0.0717 0.2916 0.2916 0.4505 0.4505 3.7733 3.7733 3.8627 3.8627 4.4817 4.4817 5.7519 5.7519 6.0041 6.0041 6.3767 6.3767 10.6925 10.6925 10.8653 10.8653 11.0590 11.0590 11.8300 11.8300 k = 0.3056 0.5292-0.0000 ( 4291 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8107 -13.8107 -13.7996 -13.7996 -2.6069 -2.6069 -2.5583 -2.5583 -0.9195 -0.9195 -0.8492 -0.8492 -0.7521 -0.7521 -0.5040 -0.5040 -0.2232 -0.2232 -0.1509 -0.1509 -0.1159 -0.1159 -0.0690 -0.0690 0.2848 0.2848 0.4487 0.4487 3.7705 3.7705 3.8634 3.8634 4.5255 4.5255 5.7018 5.7018 6.0393 6.0393 6.4011 6.4011 10.7105 10.7105 10.8334 10.8334 11.0926 11.0926 11.7916 11.7916 k = 0.2986 0.5172-0.0000 ( 4279 PWs) bands (ev): -32.8991 -32.8991 -14.1812 -14.1812 -13.8109 -13.8109 -13.7991 -13.7991 -2.6108 -2.6108 -2.5586 -2.5586 -0.9193 -0.9193 -0.8505 -0.8505 -0.7517 -0.7517 -0.5064 -0.5064 -0.2227 -0.2227 -0.1542 -0.1542 -0.1173 -0.1173 -0.0661 -0.0661 0.2757 0.2757 0.4470 0.4470 3.7705 3.7705 3.8658 3.8658 4.5770 4.5770 5.6499 5.6499 6.0727 6.0727 6.4324 6.4324 10.7246 10.7246 10.8093 10.8093 11.1282 11.1282 11.7530 11.7530 k = 0.2917 0.5052-0.0000 ( 4283 PWs) bands (ev): -32.8992 -32.8992 -14.1811 -14.1811 -13.8111 -13.8111 -13.7986 -13.7986 -2.6159 -2.6159 -2.5587 -2.5587 -0.9192 -0.9192 -0.8521 -0.8521 -0.7515 -0.7515 -0.5096 -0.5096 -0.2222 -0.2222 -0.1578 -0.1578 -0.1187 -0.1187 -0.0636 -0.0636 0.2641 0.2641 0.4453 0.4453 3.7738 3.7738 3.8708 3.8708 4.6344 4.6344 5.5969 5.5969 6.1047 6.1047 6.4699 6.4699 10.7154 10.7154 10.8124 10.8124 11.1653 11.1653 11.7143 11.7143 k = 0.2847 0.4932-0.0000 ( 4279 PWs) bands (ev): -32.8992 -32.8992 -14.1810 -14.1810 -13.8113 -13.8113 -13.7981 -13.7981 -2.6221 -2.6221 -2.5588 -2.5588 -0.9191 -0.9191 -0.8540 -0.8540 -0.7514 -0.7514 -0.5135 -0.5135 -0.2215 -0.2215 -0.1615 -0.1615 -0.1200 -0.1200 -0.0616 -0.0616 0.2503 0.2503 0.4436 0.4436 3.7810 3.7810 3.8794 3.8794 4.6963 4.6963 5.5435 5.5435 6.1361 6.1361 6.5130 6.5130 10.6840 10.6840 10.8414 10.8414 11.2035 11.2035 11.6760 11.6760 k = 0.2778 0.4811-0.0000 ( 4279 PWs) bands (ev): -32.8992 -32.8992 -14.1808 -14.1808 -13.8114 -13.8114 -13.7975 -13.7975 -2.6294 -2.6294 -2.5589 -2.5589 -0.9190 -0.9190 -0.8561 -0.8561 -0.7515 -0.7515 -0.5181 -0.5181 -0.2206 -0.2206 -0.1654 -0.1654 -0.1212 -0.1212 -0.0601 -0.0601 0.2346 0.2346 0.4418 0.4418 3.7923 3.7923 3.8917 3.8917 4.7614 4.7614 5.4908 5.4908 6.1675 6.1675 6.5608 6.5608 10.6450 10.6450 10.8813 10.8813 11.2421 11.2421 11.6388 11.6388 k = 0.2708 0.4691-0.0000 ( 4265 PWs) bands (ev): -32.8992 -32.8992 -14.1806 -14.1806 -13.8115 -13.8115 -13.7968 -13.7968 -2.6379 -2.6379 -2.5590 -2.5590 -0.9188 -0.9188 -0.8583 -0.8583 -0.7517 -0.7517 -0.5235 -0.5235 -0.2195 -0.2195 -0.1691 -0.1691 -0.1222 -0.1222 -0.0592 -0.0592 0.2177 0.2177 0.4396 0.4396 3.8080 3.8080 3.9078 3.9078 4.8283 4.8283 5.4401 5.4401 6.1995 6.1995 6.6124 6.6124 10.6033 10.6033 10.9264 10.9264 11.2798 11.2798 11.6040 11.6040 k = 0.2639 0.4571-0.0000 ( 4269 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8117 -13.8117 -13.7962 -13.7962 -2.6475 -2.6475 -2.5592 -2.5592 -0.9189 -0.9189 -0.8608 -0.8608 -0.7525 -0.7525 -0.5297 -0.5297 -0.2185 -0.2185 -0.1729 -0.1729 -0.1232 -0.1232 -0.0593 -0.0593 0.1999 0.1999 0.4369 0.4369 3.8283 3.8283 3.9274 3.9274 4.8953 4.8953 5.3933 5.3933 6.2328 6.2328 6.6670 6.6670 10.5604 10.5604 10.9743 10.9743 11.3138 11.3138 11.5739 11.5739 k = 0.2569 0.4450-0.0000 ( 4271 PWs) bands (ev): -32.8993 -32.8993 -14.1802 -14.1802 -13.8118 -13.8118 -13.7955 -13.7955 -2.6582 -2.6582 -2.5594 -2.5594 -0.9189 -0.9189 -0.8635 -0.8635 -0.7536 -0.7536 -0.5365 -0.5365 -0.2176 -0.2176 -0.1763 -0.1763 -0.1241 -0.1241 -0.0603 -0.0603 0.1819 0.1819 0.4334 0.4334 3.8534 3.8534 3.9500 3.9500 4.9593 4.9593 5.3538 5.3538 6.2677 6.2677 6.7243 6.7243 10.5172 10.5172 11.0227 11.0227 11.3389 11.3389 11.5539 11.5539 k = 0.2500 0.4330-0.0000 ( 4271 PWs) bands (ev): -32.8994 -32.8994 -14.1799 -14.1799 -13.8118 -13.8118 -13.7948 -13.7948 -2.6700 -2.6700 -2.5598 -2.5598 -0.9190 -0.9190 -0.8663 -0.8663 -0.7552 -0.7552 -0.5441 -0.5441 -0.2169 -0.2169 -0.1793 -0.1793 -0.1249 -0.1249 -0.0622 -0.0622 0.1642 0.1642 0.4291 0.4291 3.8833 3.8833 3.9747 3.9747 5.0151 5.0151 5.3279 5.3279 6.3045 6.3045 6.7835 6.7835 10.4741 10.4741 11.0693 11.0693 11.3473 11.3473 11.5514 11.5514 k = 0.2431 0.4210-0.0000 ( 4269 PWs) bands (ev): -32.8994 -32.8994 -14.1797 -14.1797 -13.8118 -13.8118 -13.7941 -13.7941 -2.6829 -2.6829 -2.5602 -2.5602 -0.9192 -0.9192 -0.8692 -0.8692 -0.7574 -0.7574 -0.5522 -0.5522 -0.2167 -0.2167 -0.1817 -0.1817 -0.1257 -0.1257 -0.0652 -0.0652 0.1473 0.1473 0.4239 0.4239 3.9179 3.9179 4.0005 4.0005 5.0537 5.0537 5.3255 5.3255 6.3435 6.3435 6.8444 6.8444 10.4314 10.4314 11.1112 11.1112 11.3356 11.3356 11.5694 11.5694 k = 0.2361 0.4090-0.0000 ( 4265 PWs) bands (ev): -32.8995 -32.8995 -14.1793 -14.1793 -13.8118 -13.8118 -13.7933 -13.7933 -2.6968 -2.6968 -2.5609 -2.5609 -0.9195 -0.9195 -0.8722 -0.8722 -0.7602 -0.7602 -0.5609 -0.5609 -0.2172 -0.2172 -0.1831 -0.1831 -0.1267 -0.1267 -0.0690 -0.0690 0.1318 0.1318 0.4176 0.4176 3.9569 3.9569 4.0264 4.0264 5.0690 5.0690 5.3538 5.3538 6.3849 6.3849 6.9065 6.9065 10.3895 10.3895 11.1453 11.1453 11.3096 11.3096 11.6014 11.6015 k = 0.2292 0.3969-0.0000 ( 4261 PWs) bands (ev): -32.8995 -32.8995 -14.1790 -14.1790 -13.8117 -13.8117 -13.7926 -13.7926 -2.7116 -2.7116 -2.5617 -2.5617 -0.9199 -0.9199 -0.8753 -0.8753 -0.7638 -0.7638 -0.5700 -0.5700 -0.2187 -0.2187 -0.1835 -0.1835 -0.1281 -0.1281 -0.0734 -0.0734 0.1179 0.1179 0.4103 0.4103 3.9989 3.9989 4.0521 4.0521 5.0681 5.0681 5.4075 5.4075 6.4286 6.4286 6.9697 6.9697 10.3485 10.3485 11.1683 11.1683 11.2761 11.2761 11.6402 11.6402 k = 0.2222 0.3849-0.0000 ( 4265 PWs) bands (ev): -32.8996 -32.8996 -14.1786 -14.1786 -13.8116 -13.8116 -13.7918 -13.7918 -2.7274 -2.7274 -2.5627 -2.5627 -0.9205 -0.9205 -0.8784 -0.8784 -0.7681 -0.7681 -0.5794 -0.5794 -0.2210 -0.2210 -0.1831 -0.1831 -0.1304 -0.1304 -0.0780 -0.0780 0.1057 0.1057 0.4019 0.4019 4.0374 4.0374 4.0818 4.0818 5.0637 5.0637 5.4755 5.4755 6.4748 6.4748 7.0337 7.0337 10.3087 10.3087 11.1773 11.1773 11.2398 11.2398 11.6807 11.6807 k = 0.2153 0.3729-0.0000 ( 4261 PWs) bands (ev): -32.8996 -32.8996 -14.1783 -14.1783 -13.8115 -13.8115 -13.7910 -13.7910 -2.7441 -2.7441 -2.5638 -2.5638 -0.9212 -0.9212 -0.8815 -0.8815 -0.7731 -0.7731 -0.5890 -0.5890 -0.2240 -0.2240 -0.1819 -0.1819 -0.1339 -0.1339 -0.0819 -0.0819 0.0954 0.0954 0.3926 0.3926 4.0599 4.0599 4.1262 4.1262 5.0644 5.0644 5.5509 5.5509 6.5235 6.5235 7.0982 7.0982 10.2702 10.2702 11.1683 11.1683 11.2064 11.2064 11.7195 11.7195 k = 0.2083 0.3608-0.0000 ( 4255 PWs) bands (ev): -32.8997 -32.8997 -14.1778 -14.1778 -13.8113 -13.8113 -13.7901 -13.7901 -2.7616 -2.7616 -2.5652 -2.5652 -0.9220 -0.9220 -0.8847 -0.8847 -0.7790 -0.7790 -0.5986 -0.5986 -0.2275 -0.2275 -0.1803 -0.1803 -0.1390 -0.1390 -0.0846 -0.0846 0.0868 0.0868 0.3823 0.3823 4.0668 4.0668 4.1833 4.1833 5.0751 5.0751 5.6300 5.6300 6.5747 6.5747 7.1630 7.1630 10.2331 10.2331 11.1378 11.1378 11.1814 11.1814 11.7534 11.7534 k = 0.2014 0.3488-0.0000 ( 4255 PWs) bands (ev): -32.8998 -32.8998 -14.1774 -14.1774 -13.8111 -13.8111 -13.7893 -13.7893 -2.7799 -2.7799 -2.5668 -2.5668 -0.9231 -0.9231 -0.8878 -0.8878 -0.7856 -0.7856 -0.6082 -0.6082 -0.2315 -0.2315 -0.1788 -0.1788 -0.1454 -0.1454 -0.0856 -0.0856 0.0797 0.0797 0.3711 0.3711 4.0622 4.0622 4.2477 4.2477 5.0983 5.0983 5.7110 5.7110 6.6283 6.6283 7.2279 7.2279 10.1974 10.1974 11.0959 11.0959 11.1570 11.1570 11.7792 11.7792 k = 0.1944 0.3368-0.0000 ( 4255 PWs) bands (ev): -32.8998 -32.8998 -14.1770 -14.1770 -13.8109 -13.8109 -13.7885 -13.7885 -2.7989 -2.7989 -2.5686 -2.5686 -0.9243 -0.9243 -0.8909 -0.8909 -0.7930 -0.7930 -0.6177 -0.6177 -0.2356 -0.2356 -0.1778 -0.1778 -0.1524 -0.1524 -0.0851 -0.0851 0.0738 0.0738 0.3592 0.3592 4.0480 4.0480 4.3178 4.3178 5.1346 5.1346 5.7929 5.7929 6.6843 6.6843 7.2928 7.2928 10.1633 10.1633 11.0497 11.0497 11.1286 11.1286 11.7936 11.7937 k = 0.1875 0.3248-0.0000 ( 4259 PWs) bands (ev): -32.8999 -32.8999 -14.1766 -14.1766 -13.8107 -13.8107 -13.7876 -13.7876 -2.8186 -2.8186 -2.5706 -2.5706 -0.9257 -0.9257 -0.8939 -0.8939 -0.8011 -0.8011 -0.6269 -0.6269 -0.2399 -0.2399 -0.1786 -0.1786 -0.1585 -0.1585 -0.0833 -0.0833 0.0689 0.0689 0.3466 0.3466 4.0252 4.0252 4.3929 4.3929 5.1837 5.1837 5.8748 5.8748 6.7427 6.7427 7.3574 7.3574 10.1305 10.1305 11.0005 11.0005 11.0966 11.0966 11.7932 11.7932 k = 0.1806 0.3127-0.0000 ( 4267 PWs) bands (ev): -32.9000 -32.9000 -14.1761 -14.1761 -13.8105 -13.8105 -13.7867 -13.7867 -2.8387 -2.8387 -2.5728 -2.5728 -0.9273 -0.9273 -0.8968 -0.8968 -0.8098 -0.8098 -0.6359 -0.6359 -0.2442 -0.2442 -0.1825 -0.1825 -0.1618 -0.1618 -0.0804 -0.0804 0.0648 0.0648 0.3335 0.3335 3.9953 3.9953 4.4727 4.4727 5.2446 5.2446 5.9562 5.9562 6.8033 6.8033 7.4216 7.4216 10.0990 10.0990 10.9483 10.9483 11.0624 11.0624 11.7682 11.7683 k = 0.1736 0.3007-0.0000 ( 4259 PWs) bands (ev): -32.9001 -32.9001 -14.1756 -14.1756 -13.8102 -13.8102 -13.7858 -13.7858 -2.8594 -2.8594 -2.5752 -2.5752 -0.9291 -0.9291 -0.8996 -0.8996 -0.8189 -0.8189 -0.6444 -0.6444 -0.2484 -0.2484 -0.1890 -0.1890 -0.1623 -0.1623 -0.0765 -0.0765 0.0613 0.0613 0.3201 0.3201 3.9599 3.9599 4.5569 4.5569 5.3159 5.3159 6.0365 6.0365 6.8660 6.8660 7.4851 7.4851 10.0686 10.0686 10.8929 10.8929 11.0274 11.0274 11.7284 11.7293 k = 0.1667 0.2887-0.0000 ( 4263 PWs) bands (ev): -32.9002 -32.9002 -14.1752 -14.1752 -13.8099 -13.8099 -13.7849 -13.7849 -2.8803 -2.8803 -2.5778 -2.5778 -0.9312 -0.9312 -0.9024 -0.9024 -0.8284 -0.8284 -0.6526 -0.6526 -0.2527 -0.2527 -0.1966 -0.1966 -0.1617 -0.1617 -0.0720 -0.0720 0.0582 0.0582 0.3064 0.3064 3.9204 3.9204 4.6452 4.6452 5.3964 5.3964 6.1154 6.1154 6.9308 6.9308 7.5479 7.5479 10.0390 10.0390 10.8337 10.8337 10.9928 10.9928 11.6853 11.6861 k = 0.1597 0.2766-0.0000 ( 4259 PWs) bands (ev): -32.9002 -32.9002 -14.1747 -14.1747 -13.8097 -13.8097 -13.7840 -13.7840 -2.9015 -2.9015 -2.5805 -2.5805 -0.9334 -0.9334 -0.9050 -0.9050 -0.8379 -0.8379 -0.6603 -0.6603 -0.2569 -0.2569 -0.2041 -0.2041 -0.1608 -0.1608 -0.0668 -0.0668 0.0554 0.0554 0.2927 0.2927 3.8781 3.8781 4.7374 4.7374 5.4848 5.4848 6.1925 6.1925 6.9976 6.9976 7.6096 7.6096 10.0099 10.0099 10.7701 10.7701 10.9595 10.9595 11.6418 11.6422 k = 0.1528 0.2646-0.0000 ( 4259 PWs) bands (ev): -32.9003 -32.9003 -14.1742 -14.1742 -13.8094 -13.8094 -13.7831 -13.7831 -2.9229 -2.9229 -2.5834 -2.5834 -0.9359 -0.9359 -0.9077 -0.9077 -0.8474 -0.8474 -0.6677 -0.6677 -0.2610 -0.2610 -0.2113 -0.2113 -0.1600 -0.1600 -0.0613 -0.0613 0.0528 0.0528 0.2789 0.2789 3.8339 3.8339 4.8333 4.8333 5.5801 5.5801 6.2673 6.2673 7.0661 7.0661 7.6702 7.6702 9.9808 9.9808 10.7019 10.7019 10.9285 10.9285 11.5995 11.5998 k = 0.1458 0.2526-0.0000 ( 4261 PWs) bands (ev): -32.9004 -32.9004 -14.1737 -14.1737 -13.8091 -13.8091 -13.7821 -13.7821 -2.9443 -2.9443 -2.5864 -2.5864 -0.9386 -0.9386 -0.9105 -0.9105 -0.8565 -0.8565 -0.6747 -0.6747 -0.2648 -0.2648 -0.2180 -0.2180 -0.1594 -0.1594 -0.0554 -0.0554 0.0503 0.0503 0.2652 0.2652 3.7887 3.7887 4.9327 4.9327 5.6814 5.6814 6.3397 6.3397 7.1362 7.1362 7.7293 7.7293 9.9513 9.9513 10.6286 10.6286 10.9004 10.9004 11.5594 11.5594 k = 0.1389 0.2406-0.0000 ( 4261 PWs) bands (ev): -32.9005 -32.9005 -14.1733 -14.1733 -13.8089 -13.8089 -13.7812 -13.7812 -2.9656 -2.9656 -2.5895 -2.5895 -0.9414 -0.9414 -0.9135 -0.9135 -0.8651 -0.8651 -0.6813 -0.6813 -0.2685 -0.2685 -0.2241 -0.2241 -0.1590 -0.1590 -0.0493 -0.0493 0.0479 0.0479 0.2519 0.2519 3.7432 3.7432 5.0352 5.0352 5.7880 5.7880 6.4091 6.4091 7.2078 7.2078 7.7868 7.7868 9.9208 9.9208 10.5501 10.5501 10.8756 10.8756 11.5224 11.5225 k = 0.1319 0.2285-0.0000 ( 4257 PWs) bands (ev): -32.9006 -32.9006 -14.1728 -14.1728 -13.8086 -13.8086 -13.7802 -13.7802 -2.9867 -2.9867 -2.5928 -2.5928 -0.9443 -0.9443 -0.9168 -0.9168 -0.8729 -0.8729 -0.6875 -0.6875 -0.2717 -0.2717 -0.2295 -0.2295 -0.1590 -0.1590 -0.0431 -0.0431 0.0456 0.0456 0.2390 0.2390 3.6979 3.6979 5.1408 5.1408 5.8993 5.8993 6.4756 6.4756 7.2805 7.2805 7.8425 7.8425 9.8889 9.8889 10.4666 10.4666 10.8543 10.8543 11.4895 11.4896 k = 0.1250 0.2165-0.0000 ( 4263 PWs) bands (ev): -32.9007 -32.9007 -14.1723 -14.1723 -13.8083 -13.8083 -13.7793 -13.7793 -3.0075 -3.0075 -2.5961 -2.5961 -0.9474 -0.9474 -0.9207 -0.9207 -0.8796 -0.8796 -0.6935 -0.6935 -0.2748 -0.2748 -0.2344 -0.2344 -0.1594 -0.1594 -0.0370 -0.0370 0.0433 0.0433 0.2267 0.2267 3.6533 3.6533 5.2490 5.2490 6.0147 6.0147 6.5388 6.5388 7.3542 7.3542 7.8962 7.8962 9.8550 9.8550 10.3784 10.3784 10.8364 10.8364 11.4614 11.4617 k = 0.1181 0.2045-0.0000 ( 4263 PWs) bands (ev): -32.9007 -32.9007 -14.1719 -14.1719 -13.8081 -13.8081 -13.7783 -13.7783 -3.0279 -3.0279 -2.5994 -2.5994 -0.9504 -0.9504 -0.9253 -0.9253 -0.8851 -0.8851 -0.6991 -0.6991 -0.2773 -0.2773 -0.2387 -0.2387 -0.1601 -0.1601 -0.0311 -0.0311 0.0411 0.0411 0.2150 0.2150 3.6098 3.6098 5.3597 5.3597 6.1336 6.1336 6.5987 6.5987 7.4285 7.4285 7.9476 7.9476 9.8188 9.8188 10.2860 10.2860 10.8214 10.8214 11.4386 11.4389 k = 0.1111 0.1925-0.0000 ( 4263 PWs) bands (ev): -32.9008 -32.9008 -14.1714 -14.1714 -13.8079 -13.8079 -13.7774 -13.7774 -3.0477 -3.0477 -2.6028 -2.6028 -0.9536 -0.9536 -0.9306 -0.9306 -0.8893 -0.8893 -0.7044 -0.7044 -0.2795 -0.2795 -0.2426 -0.2426 -0.1614 -0.1614 -0.0255 -0.0255 0.0392 0.0392 0.2041 0.2041 3.5676 3.5676 5.4725 5.4725 6.2555 6.2555 6.6553 6.6553 7.5031 7.5031 7.9965 7.9965 9.7798 9.7798 10.1900 10.1900 10.8087 10.8087 11.4206 11.4211 k = 0.1042 0.1804-0.0000 ( 4253 PWs) bands (ev): -32.9009 -32.9009 -14.1710 -14.1710 -13.8076 -13.8076 -13.7765 -13.7765 -3.0669 -3.0669 -2.6061 -2.6061 -0.9566 -0.9566 -0.9362 -0.9362 -0.8923 -0.8923 -0.7093 -0.7093 -0.2811 -0.2811 -0.2460 -0.2460 -0.1629 -0.1629 -0.0205 -0.0205 0.0376 0.0376 0.1940 0.1940 3.5271 3.5271 5.5872 5.5872 6.3796 6.3796 6.7089 6.7089 7.5776 7.5776 8.0428 8.0428 9.7378 9.7378 10.0913 10.0913 10.7974 10.7974 11.4039 11.4041 k = 0.0972 0.1684-0.0000 ( 4241 PWs) bands (ev): -32.9009 -32.9009 -14.1706 -14.1706 -13.8074 -13.8074 -13.7756 -13.7756 -3.0854 -3.0854 -2.6094 -2.6094 -0.9596 -0.9596 -0.9420 -0.9420 -0.8944 -0.8944 -0.7139 -0.7139 -0.2823 -0.2823 -0.2490 -0.2490 -0.1650 -0.1650 -0.0163 -0.0163 0.0366 0.0366 0.1849 0.1849 3.4884 3.4884 5.7033 5.7033 6.5047 6.5047 6.7605 6.7605 7.6514 7.6514 8.0861 8.0861 9.6924 9.6924 9.9907 9.9907 10.7865 10.7865 11.3843 11.3844 k = 0.0903 0.1564-0.0000 ( 4241 PWs) bands (ev): -32.9010 -32.9010 -14.1702 -14.1702 -13.8072 -13.8072 -13.7747 -13.7747 -3.1031 -3.1031 -2.6126 -2.6126 -0.9625 -0.9625 -0.9479 -0.9479 -0.8959 -0.8959 -0.7182 -0.7182 -0.2831 -0.2831 -0.2516 -0.2516 -0.1676 -0.1676 -0.0133 -0.0133 0.0364 0.0364 0.1767 0.1767 3.4516 3.4516 5.8206 5.8206 6.6276 6.6276 6.8126 6.8126 7.7240 7.7240 8.1262 8.1262 9.6432 9.6432 9.8892 9.8892 10.7752 10.7752 11.3617 11.3618 k = 0.0833 0.1443-0.0000 ( 4247 PWs) bands (ev): -32.9011 -32.9011 -14.1698 -14.1698 -13.8070 -13.8070 -13.7739 -13.7739 -3.1198 -3.1198 -2.6158 -2.6158 -0.9654 -0.9654 -0.9537 -0.9537 -0.8968 -0.8968 -0.7224 -0.7224 -0.2835 -0.2835 -0.2538 -0.2538 -0.1706 -0.1706 -0.0115 -0.0115 0.0369 0.0369 0.1693 0.1693 3.4171 3.4171 5.9386 5.9386 6.7395 6.7395 6.8741 6.8741 7.7947 7.7947 8.1627 8.1627 9.5899 9.5899 9.7881 9.7881 10.7630 10.7630 11.3347 11.3347 k = 0.0764 0.1323-0.0000 ( 4247 PWs) bands (ev): -32.9011 -32.9011 -14.1695 -14.1695 -13.8068 -13.8068 -13.7732 -13.7732 -3.1356 -3.1356 -2.6188 -2.6188 -0.9682 -0.9682 -0.9590 -0.9590 -0.8974 -0.8974 -0.7262 -0.7262 -0.2834 -0.2834 -0.2556 -0.2556 -0.1742 -0.1742 -0.0109 -0.0109 0.0384 0.0384 0.1629 0.1629 3.3848 3.3848 6.0568 6.0568 6.8209 6.8209 6.9640 6.9640 7.8626 7.8626 8.1955 8.1955 9.5321 9.5321 9.6886 9.6886 10.7497 10.7497 11.3009 11.3009 k = 0.0694 0.1203-0.0000 ( 4241 PWs) bands (ev): -32.9012 -32.9012 -14.1692 -14.1692 -13.8067 -13.8067 -13.7724 -13.7724 -3.1502 -3.1502 -2.6217 -2.6217 -0.9708 -0.9708 -0.9639 -0.9639 -0.8978 -0.8978 -0.7296 -0.7296 -0.2830 -0.2830 -0.2568 -0.2568 -0.1782 -0.1782 -0.0112 -0.0112 0.0407 0.0407 0.1574 0.1574 3.3550 3.3550 6.1745 6.1745 6.8718 6.8718 7.0823 7.0823 7.9267 7.9267 8.2240 8.2240 9.4691 9.4691 9.5923 9.5923 10.7351 10.7351 11.2589 11.2590 k = 0.0625 0.1083-0.0000 ( 4241 PWs) bands (ev): -32.9013 -32.9013 -14.1689 -14.1689 -13.8066 -13.8066 -13.7717 -13.7717 -3.1637 -3.1637 -2.6244 -2.6244 -0.9732 -0.9732 -0.9685 -0.9685 -0.8980 -0.8980 -0.7327 -0.7327 -0.2824 -0.2824 -0.2576 -0.2576 -0.1826 -0.1826 -0.0123 -0.0123 0.0434 0.0434 0.1527 0.1527 3.3278 3.3278 6.2909 6.2909 6.9083 6.9083 7.2122 7.2122 7.9857 7.9857 8.2480 8.2480 9.4006 9.4006 9.5009 9.5009 10.7194 10.7194 11.2081 11.2081 k = 0.0556 0.0962-0.0000 ( 4239 PWs) bands (ev): -32.9013 -32.9013 -14.1686 -14.1686 -13.8064 -13.8064 -13.7711 -13.7711 -3.1759 -3.1759 -2.6268 -2.6268 -0.9755 -0.9755 -0.9724 -0.9724 -0.8980 -0.8980 -0.7355 -0.7355 -0.2817 -0.2817 -0.2578 -0.2578 -0.1875 -0.1875 -0.0139 -0.0139 0.0463 0.0463 0.1488 0.1488 3.3031 3.3031 6.4052 6.4052 6.9380 6.9380 7.3461 7.3461 8.0381 8.0381 8.2675 8.2675 9.3264 9.3264 9.4163 9.4163 10.7028 10.7028 11.1482 11.1482 k = 0.0486 0.0842-0.0000 ( 4247 PWs) bands (ev): -32.9014 -32.9014 -14.1684 -14.1684 -13.8063 -13.8063 -13.7706 -13.7706 -3.1868 -3.1868 -2.6291 -2.6291 -0.9778 -0.9778 -0.9758 -0.9758 -0.8980 -0.8980 -0.7381 -0.7381 -0.2810 -0.2810 -0.2572 -0.2572 -0.1927 -0.1927 -0.0156 -0.0156 0.0490 0.0490 0.1456 0.1456 3.2812 3.2812 6.5158 6.5158 6.9633 6.9633 7.4810 7.4810 8.0819 8.0819 8.2826 8.2826 9.2464 9.2464 9.3400 9.3400 10.6854 10.6854 11.0825 11.0825 k = 0.0417 0.0722-0.0000 ( 4251 PWs) bands (ev): -32.9014 -32.9014 -14.1682 -14.1682 -13.8063 -13.8063 -13.7701 -13.7701 -3.1964 -3.1964 -2.6311 -2.6311 -0.9802 -0.9802 -0.9785 -0.9785 -0.8979 -0.8979 -0.7403 -0.7403 -0.2805 -0.2805 -0.2559 -0.2559 -0.1982 -0.1982 -0.0174 -0.0174 0.0517 0.0517 0.1431 0.1431 3.2621 3.2621 6.6210 6.6210 6.9857 6.9857 7.6147 7.6147 8.1150 8.1150 8.2948 8.2948 9.1608 9.1608 9.2740 9.2740 10.6675 10.6675 11.0190 11.0190 k = 0.0347 0.0601-0.0000 ( 4245 PWs) bands (ev): -32.9014 -32.9014 -14.1680 -14.1680 -13.8062 -13.8062 -13.7696 -13.7696 -3.2046 -3.2046 -2.6328 -2.6328 -0.9824 -0.9824 -0.9803 -0.9803 -0.8977 -0.8977 -0.7421 -0.7421 -0.2800 -0.2800 -0.2537 -0.2537 -0.2039 -0.2039 -0.0190 -0.0190 0.0541 0.0541 0.1411 0.1411 3.2458 3.2458 6.7180 6.7180 7.0063 7.0063 7.7446 7.7446 8.1363 8.1363 8.3063 8.3063 9.0692 9.0692 9.2201 9.2201 10.6497 10.6497 10.9629 10.9630 k = 0.0278 0.0481-0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1679 -14.1679 -13.8061 -13.8061 -13.7693 -13.7693 -3.2114 -3.2114 -2.6342 -2.6342 -0.9844 -0.9844 -0.9817 -0.9817 -0.8976 -0.8976 -0.7437 -0.7437 -0.2798 -0.2798 -0.2507 -0.2507 -0.2097 -0.2097 -0.0204 -0.0204 0.0560 0.0560 0.1396 0.1396 3.2324 3.2324 6.8029 6.8029 7.0267 7.0267 7.8650 7.8650 8.1491 8.1491 8.3188 8.3188 8.9719 8.9719 9.1790 9.1790 10.6325 10.6325 10.9163 10.9163 k = 0.0208 0.0361-0.0000 ( 4255 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8061 -13.8061 -13.7690 -13.7690 -3.2167 -3.2167 -2.6354 -2.6354 -0.9861 -0.9861 -0.9829 -0.9829 -0.8975 -0.8975 -0.7449 -0.7449 -0.2798 -0.2798 -0.2471 -0.2471 -0.2156 -0.2156 -0.0216 -0.0216 0.0576 0.0576 0.1385 0.1385 3.2219 3.2219 6.8706 6.8706 7.0487 7.0487 7.9612 7.9612 8.1689 8.1689 8.3333 8.3333 8.8702 8.8702 9.1501 9.1501 10.6172 10.6172 10.8797 10.8797 k = 0.0139 0.0241-0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8060 -13.8060 -13.7688 -13.7688 -3.2205 -3.2205 -2.6362 -2.6362 -0.9872 -0.9872 -0.9836 -0.9836 -0.8973 -0.8973 -0.7457 -0.7457 -0.2797 -0.2797 -0.2428 -0.2428 -0.2214 -0.2214 -0.0223 -0.0223 0.0587 0.0587 0.1378 0.1378 3.2144 3.2144 6.9165 6.9165 7.0724 7.0724 8.0096 8.0096 8.2183 8.2183 8.3522 8.3522 8.7671 8.7671 9.1317 9.1317 10.6049 10.6049 10.8536 10.8536 k = 0.0069 0.0120-0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7687 -13.7687 -3.2228 -3.2228 -2.6367 -2.6367 -0.9879 -0.9879 -0.9841 -0.9841 -0.8972 -0.8972 -0.7462 -0.7462 -0.2798 -0.2798 -0.2381 -0.2381 -0.2269 -0.2269 -0.0228 -0.0228 0.0594 0.0594 0.1374 0.1374 3.2099 3.2099 6.9411 6.9411 7.0924 7.0924 8.0201 8.0201 8.2736 8.2736 8.3860 8.3860 8.6723 8.6723 9.1217 9.1217 10.5969 10.5969 10.8378 10.8378 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.2235 -3.2235 -2.6368 -2.6368 -0.9881 -0.9881 -0.9842 -0.9842 -0.8972 -0.8972 -0.7464 -0.7464 -0.2798 -0.2798 -0.2343 -0.2343 -0.2311 -0.2311 -0.0230 -0.0230 0.0596 0.0596 0.1373 0.1373 3.2084 3.2084 6.9485 6.9485 7.1004 7.1004 8.0205 8.0205 8.2924 8.2924 8.4167 8.4167 8.6233 8.6233 9.1186 9.1186 10.5942 10.5942 10.8326 10.8326 k = 0.0000 0.0000 0.0000 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.2235 -3.2235 -2.6368 -2.6368 -0.9881 -0.9881 -0.9842 -0.9842 -0.8972 -0.8972 -0.7464 -0.7464 -0.2798 -0.2798 -0.2343 -0.2343 -0.2311 -0.2311 -0.0230 -0.0230 0.0596 0.0596 0.1373 0.1373 3.2084 3.2084 6.9485 6.9485 7.1004 7.1004 8.0205 8.0205 8.2924 8.2924 8.4167 8.4167 8.6233 8.6233 9.1186 9.1186 10.5942 10.5942 10.8326 10.8326 k = 0.0000 0.0000 0.0139 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.2227 -3.2227 -2.6375 -2.6375 -0.9881 -0.9881 -0.9842 -0.9842 -0.8972 -0.8972 -0.7467 -0.7467 -0.2798 -0.2798 -0.2351 -0.2351 -0.2310 -0.2310 -0.0229 -0.0229 0.0596 0.0596 0.1367 0.1367 3.2124 3.2124 6.9496 6.9496 7.1015 7.1015 8.0041 8.0041 8.2815 8.2815 8.4142 8.4142 8.6396 8.6396 9.1266 9.1266 10.5963 10.5963 10.8337 10.8337 k = 0.0000 0.0000 0.0278 ( 4259 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8060 -13.8060 -13.7687 -13.7687 -3.2204 -3.2204 -2.6394 -2.6394 -0.9883 -0.9883 -0.9842 -0.9842 -0.8973 -0.8973 -0.7476 -0.7476 -0.2799 -0.2799 -0.2374 -0.2374 -0.2310 -0.2310 -0.0228 -0.0228 0.0595 0.0595 0.1348 0.1348 3.2246 3.2246 6.9530 6.9530 7.1050 7.1050 7.9561 7.9561 8.2573 8.2573 8.4070 8.4070 8.6781 8.6781 9.1509 9.1509 10.6029 10.6029 10.8372 10.8372 k = 0.0000 0.0000 0.0417 ( 4259 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8060 -13.8060 -13.7687 -13.7687 -3.2164 -3.2164 -2.6425 -2.6425 -0.9884 -0.9884 -0.9840 -0.9840 -0.8972 -0.8972 -0.7491 -0.7491 -0.2800 -0.2800 -0.2413 -0.2413 -0.2309 -0.2309 -0.0223 -0.0223 0.0593 0.0593 0.1320 0.1320 3.2446 3.2446 6.9585 6.9585 7.1107 7.1107 7.8821 7.8821 8.2307 8.2307 8.3951 8.3951 8.7219 8.7219 9.1916 9.1916 10.6144 10.6144 10.8429 10.8429 k = 0.0000 0.0000 0.0556 ( 4259 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8060 -13.8060 -13.7687 -13.7687 -3.2110 -3.2110 -2.6469 -2.6469 -0.9886 -0.9886 -0.9839 -0.9839 -0.8971 -0.8971 -0.7512 -0.7512 -0.2803 -0.2803 -0.2464 -0.2464 -0.2307 -0.2307 -0.0216 -0.0216 0.0591 0.0591 0.1282 0.1282 3.2722 3.2722 6.9662 6.9662 7.1187 7.1187 7.7903 7.7903 8.2046 8.2046 8.3788 8.3788 8.7614 8.7614 9.2474 9.2474 10.6311 10.6311 10.8503 10.8503 k = 0.0000 0.0000 0.0695 ( 4241 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.2039 -3.2039 -2.6526 -2.6526 -0.9888 -0.9888 -0.9836 -0.9836 -0.8968 -0.8968 -0.7537 -0.7537 -0.2808 -0.2808 -0.2525 -0.2525 -0.2303 -0.2303 -0.0208 -0.0208 0.0590 0.0590 0.1237 0.1237 3.3070 3.3070 6.9760 6.9760 7.1289 7.1289 7.6875 7.6875 8.1779 8.1779 8.3583 8.3583 8.7933 8.7933 9.3147 9.3147 10.6540 10.6540 10.8591 10.8592 k = 0.0000 0.0000 0.0833 ( 4235 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.1955 -3.1955 -2.6594 -2.6594 -0.9891 -0.9891 -0.9834 -0.9834 -0.8966 -0.8966 -0.7568 -0.7568 -0.2819 -0.2819 -0.2592 -0.2592 -0.2300 -0.2300 -0.0198 -0.0198 0.0588 0.0588 0.1186 0.1186 3.3485 3.3485 6.9878 6.9878 7.1413 7.1413 7.5784 7.5784 8.1498 8.1498 8.3339 8.3339 8.8185 8.8185 9.3885 9.3885 10.6840 10.6840 10.8688 10.8688 k = 0.0000 0.0000 0.0972 ( 4229 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.1855 -3.1855 -2.6676 -2.6676 -0.9893 -0.9893 -0.9832 -0.9832 -0.8963 -0.8963 -0.7605 -0.7605 -0.2845 -0.2845 -0.2654 -0.2654 -0.2297 -0.2297 -0.0187 -0.0187 0.0585 0.0585 0.1130 0.1130 3.3962 3.3962 7.0015 7.0015 7.1559 7.1559 7.4661 7.4661 8.1197 8.1197 8.3060 8.3060 8.8385 8.8385 9.4639 9.4639 10.7221 10.7221 10.8789 10.8789 k = 0.0000 0.0000 0.1111 ( 4253 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7687 -13.7687 -3.1742 -3.1742 -2.6770 -2.6770 -0.9897 -0.9897 -0.9831 -0.9831 -0.8963 -0.8963 -0.7649 -0.7649 -0.2898 -0.2898 -0.2699 -0.2699 -0.2295 -0.2295 -0.0178 -0.0178 0.0579 0.0579 0.1071 0.1071 3.4494 3.4494 7.0167 7.0167 7.1726 7.1726 7.3527 7.3527 8.0873 8.0873 8.2750 8.2750 8.8551 8.8551 9.5367 9.5367 10.7692 10.7692 10.8891 10.8892 k = 0.0000 0.0000 0.1250 ( 4235 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.1616 -3.1616 -2.6876 -2.6876 -0.9900 -0.9900 -0.9828 -0.9828 -0.8958 -0.8958 -0.7695 -0.7695 -0.2977 -0.2977 -0.2720 -0.2720 -0.2290 -0.2290 -0.0166 -0.0166 0.0577 0.0577 0.1014 0.1014 3.5074 3.5074 7.0323 7.0323 7.1913 7.1913 7.2406 7.2406 8.0528 8.0528 8.2413 8.2413 8.8694 8.8694 9.6039 9.6039 10.8248 10.8248 10.9007 10.9007 k = 0.0000 0.0000 0.1389 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.1476 -3.1476 -2.6994 -2.6994 -0.9903 -0.9903 -0.9826 -0.9826 -0.8956 -0.8956 -0.7746 -0.7746 -0.3072 -0.3072 -0.2731 -0.2731 -0.2286 -0.2286 -0.0156 -0.0156 0.0573 0.0573 0.0956 0.0956 3.5694 3.5694 7.0411 7.0411 7.1381 7.1381 7.2119 7.2119 8.0164 8.0164 8.2054 8.2054 8.8822 8.8822 9.6633 9.6633 10.8784 10.8784 10.9240 10.9240 k = 0.0000 0.0000 0.1528 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8060 -13.8060 -13.7686 -13.7686 -3.1325 -3.1325 -2.7123 -2.7123 -0.9906 -0.9906 -0.9824 -0.9824 -0.8953 -0.8953 -0.7799 -0.7799 -0.3172 -0.3172 -0.2734 -0.2734 -0.2282 -0.2282 -0.0144 -0.0144 0.0568 0.0568 0.0900 0.0900 3.6345 3.6345 6.9905 6.9905 7.0987 7.0987 7.2343 7.2343 7.9784 7.9784 8.1676 8.1676 8.8939 8.8939 9.7139 9.7139 10.8997 10.8997 10.9598 10.9598 k = 0.0000 0.0000 0.1667 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -3.1163 -3.1163 -2.7264 -2.7264 -0.9909 -0.9909 -0.9822 -0.9822 -0.8949 -0.8949 -0.7855 -0.7855 -0.3273 -0.3273 -0.2736 -0.2736 -0.2278 -0.2278 -0.0132 -0.0132 0.0564 0.0564 0.0848 0.0848 3.7017 3.7017 6.8900 6.8900 7.1134 7.1134 7.2584 7.2584 7.9391 7.9391 8.1285 8.1285 8.9048 8.9048 9.7555 9.7555 10.9071 10.9071 10.9610 10.9610 k = 0.0000 0.0000 0.1806 ( 4247 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -3.0991 -3.0991 -2.7416 -2.7416 -0.9912 -0.9912 -0.9821 -0.9821 -0.8945 -0.8945 -0.7912 -0.7912 -0.3371 -0.3371 -0.2735 -0.2735 -0.2274 -0.2274 -0.0119 -0.0119 0.0560 0.0560 0.0800 0.0800 3.7701 3.7701 6.7865 6.7865 7.1365 7.1365 7.2840 7.2840 7.8989 7.8989 8.0884 8.0884 8.9150 8.9150 9.7887 9.7887 10.9109 10.9109 10.9611 10.9611 k = 0.0000 0.0000 0.1945 ( 4241 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -3.0809 -3.0809 -2.7578 -2.7578 -0.9914 -0.9914 -0.9819 -0.9819 -0.8940 -0.8940 -0.7969 -0.7969 -0.3463 -0.3463 -0.2733 -0.2733 -0.2269 -0.2269 -0.0108 -0.0108 0.0556 0.0556 0.0755 0.0755 3.8383 3.8383 6.6862 6.6862 7.1624 7.1624 7.3110 7.3110 7.8582 7.8582 8.0479 8.0479 8.9246 8.9246 9.8143 9.8143 10.9130 10.9130 10.9601 10.9601 k = 0.0000 0.0000 0.2084 ( 4241 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -3.0619 -3.0619 -2.7749 -2.7749 -0.9916 -0.9916 -0.9817 -0.9817 -0.8935 -0.8935 -0.8023 -0.8023 -0.3548 -0.3548 -0.2732 -0.2732 -0.2265 -0.2265 -0.0097 -0.0097 0.0552 0.0552 0.0715 0.0715 3.9051 3.9051 6.5913 6.5913 7.1899 7.1899 7.3388 7.3388 7.8175 7.8175 8.0075 8.0075 8.9334 8.9334 9.8337 9.8337 10.9137 10.9137 10.9584 10.9584 k = 0.0000 0.0000 0.2223 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -3.0422 -3.0422 -2.7929 -2.7929 -0.9918 -0.9918 -0.9816 -0.9816 -0.8931 -0.8931 -0.8075 -0.8075 -0.3624 -0.3624 -0.2730 -0.2730 -0.2262 -0.2262 -0.0087 -0.0087 0.0549 0.0549 0.0680 0.0680 3.9688 3.9688 6.5034 6.5034 7.2185 7.2185 7.3673 7.3673 7.7773 7.7773 7.9678 7.9678 8.9414 8.9414 9.8479 9.8479 10.9136 10.9136 10.9563 10.9563 k = 0.0000 0.0000 0.2362 ( 4230 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8061 -13.8061 -13.7686 -13.7686 -3.0219 -3.0219 -2.8117 -2.8117 -0.9920 -0.9920 -0.9813 -0.9813 -0.8925 -0.8925 -0.8121 -0.8121 -0.3690 -0.3690 -0.2727 -0.2727 -0.2258 -0.2258 -0.0077 -0.0077 0.0546 0.0546 0.0650 0.0650 4.0278 4.0278 6.4242 6.4242 7.2476 7.2476 7.3957 7.3957 7.7382 7.7382 7.9296 7.9296 8.9485 8.9485 9.8580 9.8580 10.9129 10.9129 10.9540 10.9540 k = 0.0000 0.0000 0.2500 ( 4218 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8061 -13.8061 -13.7685 -13.7685 -3.0012 -3.0012 -2.8312 -2.8312 -0.9921 -0.9921 -0.9811 -0.9811 -0.8920 -0.8920 -0.8162 -0.8162 -0.3744 -0.3744 -0.2725 -0.2725 -0.2255 -0.2255 -0.0069 -0.0069 0.0543 0.0543 0.0625 0.0625 4.0800 4.0800 6.3555 6.3555 7.2762 7.2762 7.4231 7.4231 7.7013 7.7013 7.8939 7.8939 8.9545 8.9545 9.8649 9.8649 10.9120 10.9120 10.9518 10.9518 k = 0.0000 0.0000 0.2639 ( 4224 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8061 -13.8061 -13.7686 -13.7686 -2.9802 -2.9802 -2.8513 -2.8513 -0.9923 -0.9923 -0.9810 -0.9810 -0.8917 -0.8917 -0.8196 -0.8196 -0.3787 -0.3787 -0.2724 -0.2724 -0.2253 -0.2253 -0.0063 -0.0063 0.0541 0.0541 0.0605 0.0605 4.1236 4.1236 6.2993 6.2993 7.3031 7.3031 7.4483 7.4483 7.6678 7.6678 7.8622 7.8622 8.9594 8.9594 9.8696 9.8696 10.9110 10.9110 10.9498 10.9498 k = 0.0000 0.0000 0.2778 ( 4230 PWs) bands (ev): -32.9015 -32.9015 -14.1676 -14.1676 -13.8061 -13.8061 -13.7686 -13.7686 -2.9591 -2.9591 -2.8717 -2.8717 -0.9924 -0.9924 -0.9810 -0.9810 -0.8914 -0.8914 -0.8221 -0.8221 -0.3819 -0.3819 -0.2723 -0.2723 -0.2252 -0.2252 -0.0059 -0.0059 0.0539 0.0539 0.0590 0.0590 4.1565 4.1565 6.2574 6.2574 7.3262 7.3262 7.4693 7.4693 7.6399 7.6399 7.8365 7.8365 8.9629 8.9629 9.8724 9.8724 10.9101 10.9101 10.9483 10.9483 k = 0.0000 0.0000 0.2917 ( 4236 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9384 -2.9384 -2.8919 -2.8919 -0.9924 -0.9924 -0.9810 -0.9810 -0.8913 -0.8913 -0.8237 -0.8237 -0.3838 -0.3838 -0.2723 -0.2723 -0.2251 -0.2251 -0.0057 -0.0057 0.0538 0.0538 0.0581 0.0581 4.1770 4.1770 6.2315 6.2315 7.3424 7.3424 7.4836 7.4836 7.6208 7.6208 7.8193 7.8193 8.9651 8.9651 9.8740 9.8740 10.9095 10.9095 10.9473 10.9473 k = 0.0000 0.0000 0.3056 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9240 -2.9240 -2.9062 -2.9062 -0.9925 -0.9925 -0.9810 -0.9810 -0.8912 -0.8912 -0.8243 -0.8243 -0.3845 -0.3845 -0.2723 -0.2723 -0.2251 -0.2251 -0.0056 -0.0056 0.0538 0.0538 0.0578 0.0578 4.1840 4.1840 6.2227 6.2227 7.3484 7.3484 7.4887 7.4887 7.6139 7.6139 7.8132 7.8132 8.9658 8.9658 9.8745 9.8745 10.9093 10.9093 10.9470 10.9470 k = 0.0000 0.0000 0.3056 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9240 -2.9240 -2.9062 -2.9062 -0.9925 -0.9925 -0.9810 -0.9810 -0.8912 -0.8912 -0.8243 -0.8243 -0.3845 -0.3845 -0.2723 -0.2723 -0.2251 -0.2251 -0.0056 -0.0056 0.0538 0.0538 0.0578 0.0578 4.1840 4.1840 6.2227 6.2227 7.3484 7.3484 7.4887 7.4887 7.6139 7.6139 7.8132 7.8132 8.9658 8.9658 9.8745 9.8745 10.9093 10.9093 10.9470 10.9470 k = 0.0119 0.0069 0.3056 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9236 -2.9236 -2.9057 -2.9057 -0.9922 -0.9922 -0.9809 -0.9809 -0.8914 -0.8914 -0.8239 -0.8239 -0.3843 -0.3843 -0.2721 -0.2721 -0.2249 -0.2249 -0.0055 -0.0055 0.0536 0.0536 0.0578 0.0578 4.1840 4.1840 6.2229 6.2229 7.3451 7.3451 7.4834 7.4834 7.6056 7.6056 7.8015 7.8015 8.9847 8.9847 9.8782 9.8782 10.9125 10.9125 10.9497 10.9497 k = 0.0238 0.0137 0.3056 ( 4248 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8062 -13.8062 -13.7688 -13.7688 -2.9221 -2.9221 -2.9043 -2.9043 -0.9913 -0.9913 -0.9806 -0.9806 -0.8921 -0.8921 -0.8226 -0.8226 -0.3838 -0.3838 -0.2716 -0.2716 -0.2245 -0.2245 -0.0054 -0.0054 0.0529 0.0529 0.0579 0.0579 4.1841 4.1841 6.2235 6.2235 7.3350 7.3350 7.4667 7.4667 7.5798 7.5798 7.7721 7.7721 9.0376 9.0376 9.8892 9.8892 10.9216 10.9216 10.9579 10.9579 k = 0.0357 0.0206 0.3056 ( 4248 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8062 -13.8062 -13.7690 -13.7690 -2.9196 -2.9196 -2.9020 -2.9020 -0.9899 -0.9899 -0.9800 -0.9800 -0.8930 -0.8930 -0.8205 -0.8205 -0.3828 -0.3828 -0.2708 -0.2708 -0.2236 -0.2236 -0.0050 -0.0050 0.0517 0.0517 0.0582 0.0582 4.1843 4.1843 6.2243 6.2243 7.3164 7.3164 7.4365 7.4365 7.5367 7.5367 7.7375 7.7375 9.1162 9.1162 9.9075 9.9075 10.9354 10.9354 10.9722 10.9722 k = 0.0476 0.0275 0.3056 ( 4252 PWs) bands (ev): -32.9015 -32.9015 -14.1680 -14.1680 -13.8062 -13.8062 -13.7693 -13.7693 -2.9162 -2.9162 -2.8988 -2.8988 -0.9880 -0.9880 -0.9792 -0.9792 -0.8942 -0.8942 -0.8177 -0.8177 -0.3814 -0.3814 -0.2696 -0.2696 -0.2224 -0.2224 -0.0045 -0.0045 0.0499 0.0499 0.0586 0.0586 4.1844 4.1844 6.2248 6.2248 7.2853 7.2853 7.3875 7.3875 7.4870 7.4870 7.7060 7.7060 9.2111 9.2111 9.9329 9.9329 10.9519 10.9519 10.9936 10.9936 k = 0.0595 0.0344 0.3056 ( 4256 PWs) bands (ev): -32.9014 -32.9014 -14.1681 -14.1681 -13.8063 -13.8063 -13.7696 -13.7696 -2.9118 -2.9118 -2.8947 -2.8947 -0.9855 -0.9855 -0.9781 -0.9781 -0.8955 -0.8955 -0.8144 -0.8144 -0.3797 -0.3797 -0.2680 -0.2680 -0.2209 -0.2209 -0.0038 -0.0038 0.0474 0.0474 0.0592 0.0592 4.1844 4.1844 6.2245 6.2245 7.2315 7.2315 7.3250 7.3250 7.4435 7.4435 7.6783 7.6783 9.3144 9.3144 9.9653 9.9653 10.9690 10.9690 11.0225 11.0225 k = 0.0714 0.0412 0.3056 ( 4268 PWs) bands (ev): -32.9014 -32.9014 -14.1683 -14.1683 -13.8064 -13.8064 -13.7701 -13.7701 -2.9066 -2.9066 -2.8898 -2.8898 -0.9827 -0.9827 -0.9768 -0.9768 -0.8970 -0.8970 -0.8105 -0.8105 -0.3777 -0.3777 -0.2663 -0.2663 -0.2189 -0.2189 -0.0030 -0.0030 0.0444 0.0444 0.0600 0.0600 4.1843 4.1843 6.2223 6.2223 7.1466 7.1466 7.2670 7.2670 7.4055 7.4055 7.6528 7.6528 9.4194 9.4194 10.0051 10.0051 10.9849 10.9849 11.0586 11.0586 k = 0.0833 0.0481 0.3056 ( 4268 PWs) bands (ev): -32.9014 -32.9014 -14.1685 -14.1685 -13.8065 -13.8065 -13.7706 -13.7706 -2.9004 -2.9004 -2.8840 -2.8840 -0.9793 -0.9793 -0.9750 -0.9750 -0.8984 -0.8984 -0.8061 -0.8061 -0.3752 -0.3752 -0.2643 -0.2643 -0.2165 -0.2165 -0.0019 -0.0019 0.0411 0.0411 0.0611 0.0611 4.1838 4.1838 6.2167 6.2167 7.0428 7.0428 7.2126 7.2126 7.3691 7.3691 7.6282 7.6282 9.5207 9.5207 10.0528 10.0528 10.9979 10.9979 11.1008 11.1008 k = 0.0952 0.0550 0.3056 ( 4266 PWs) bands (ev): -32.9013 -32.9013 -14.1687 -14.1687 -13.8066 -13.8066 -13.7711 -13.7711 -2.8934 -2.8934 -2.8774 -2.8774 -0.9758 -0.9758 -0.9724 -0.9724 -0.8996 -0.8996 -0.8013 -0.8013 -0.3723 -0.3723 -0.2621 -0.2621 -0.2137 -0.2137 -0.0006 -0.0006 0.0374 0.0374 0.0624 0.0624 4.1829 4.1829 6.2050 6.2050 6.9349 6.9349 7.1562 7.1562 7.3321 7.3321 7.6044 7.6044 9.6137 9.6137 10.1089 10.1089 11.0053 11.0053 11.1480 11.1480 k = 0.1071 0.0619 0.3056 ( 4266 PWs) bands (ev): -32.9013 -32.9013 -14.1690 -14.1690 -13.8067 -13.8067 -13.7717 -13.7717 -2.8857 -2.8857 -2.8701 -2.8701 -0.9731 -0.9731 -0.9686 -0.9686 -0.9007 -0.9007 -0.7961 -0.7961 -0.3690 -0.3690 -0.2598 -0.2598 -0.2106 -0.2106 0.0007 0.0007 0.0334 0.0334 0.0639 0.0639 4.1813 4.1813 6.1832 6.1832 6.8324 6.8324 7.0963 7.0963 7.2932 7.2932 7.5812 7.5812 9.6950 9.6950 10.1729 10.1729 11.0037 11.0037 11.1993 11.1993 k = 0.1190 0.0687 0.3056 ( 4266 PWs) bands (ev): -32.9012 -32.9012 -14.1693 -14.1693 -13.8068 -13.8068 -13.7724 -13.7724 -2.8772 -2.8772 -2.8620 -2.8620 -0.9706 -0.9706 -0.9637 -0.9637 -0.9016 -0.9016 -0.7906 -0.7906 -0.3653 -0.3653 -0.2574 -0.2574 -0.2071 -0.2071 0.0020 0.0020 0.0295 0.0295 0.0656 0.0656 4.1789 4.1789 6.1461 6.1461 6.7435 6.7435 7.0335 7.0335 7.2518 7.2518 7.5587 7.5587 9.7633 9.7633 10.2425 10.2425 10.9891 10.9891 11.2537 11.2537 k = 0.1310 0.0756 0.3056 ( 4260 PWs) bands (ev): -32.9012 -32.9012 -14.1695 -14.1695 -13.8070 -13.8070 -13.7731 -13.7731 -2.8681 -2.8681 -2.8532 -2.8532 -0.9682 -0.9682 -0.9581 -0.9581 -0.9021 -0.9021 -0.7848 -0.7848 -0.3612 -0.3612 -0.2549 -0.2549 -0.2033 -0.2033 0.0029 0.0029 0.0261 0.0261 0.0676 0.0676 4.1756 4.1756 6.0885 6.0885 6.6747 6.6747 6.9686 6.9686 7.2078 7.2078 7.5369 7.5369 9.8192 9.8192 10.3135 10.3135 10.9589 10.9589 11.3102 11.3102 k = 0.1429 0.0825 0.3056 ( 4260 PWs) bands (ev): -32.9011 -32.9011 -14.1699 -14.1699 -13.8071 -13.8071 -13.7739 -13.7739 -2.8584 -2.8584 -2.8438 -2.8438 -0.9658 -0.9658 -0.9522 -0.9522 -0.9023 -0.9023 -0.7788 -0.7788 -0.3566 -0.3566 -0.2524 -0.2524 -0.1994 -0.1994 0.0024 0.0024 0.0241 0.0241 0.0700 0.0700 4.1710 4.1710 6.0087 6.0087 6.6286 6.6286 6.9028 6.9028 7.1612 7.1612 7.5158 7.5158 9.8645 9.8645 10.3803 10.3803 10.9136 10.9136 11.3680 11.3681 k = 0.1548 0.0894 0.3056 ( 4260 PWs) bands (ev): -32.9010 -32.9010 -14.1702 -14.1702 -13.8073 -13.8073 -13.7747 -13.7747 -2.8482 -2.8482 -2.8338 -2.8338 -0.9632 -0.9632 -0.9459 -0.9459 -0.9019 -0.9019 -0.7725 -0.7725 -0.3516 -0.3516 -0.2498 -0.2498 -0.1952 -0.1952 -0.0000 -0.0000 0.0242 0.0242 0.0727 0.0727 4.1649 4.1649 5.9098 5.9098 6.6024 6.6024 6.8369 6.8369 7.1124 7.1124 7.4953 7.4953 9.9009 9.9009 10.4373 10.4373 10.8578 10.8578 11.4260 11.4261 k = 0.1667 0.0962 0.3056 ( 4256 PWs) bands (ev): -32.9010 -32.9010 -14.1706 -14.1706 -13.8075 -13.8075 -13.7755 -13.7755 -2.8377 -2.8377 -2.8232 -2.8232 -0.9605 -0.9605 -0.9396 -0.9396 -0.9007 -0.9007 -0.7659 -0.7659 -0.3462 -0.3462 -0.2472 -0.2472 -0.1911 -0.1911 -0.0043 -0.0043 0.0263 0.0263 0.0760 0.0760 4.1572 4.1572 5.7974 5.7974 6.5904 6.5904 6.7726 6.7726 7.0618 7.0618 7.4753 7.4753 9.9299 9.9299 10.4799 10.4799 10.7976 10.7976 11.4831 11.4878 k = 0.1786 0.1031 0.3056 ( 4248 PWs) bands (ev): -32.9009 -32.9009 -14.1710 -14.1710 -13.8077 -13.8077 -13.7763 -13.7763 -2.8268 -2.8268 -2.8120 -2.8120 -0.9577 -0.9577 -0.9336 -0.9336 -0.8984 -0.8984 -0.7589 -0.7589 -0.3403 -0.3403 -0.2445 -0.2445 -0.1870 -0.1870 -0.0097 -0.0097 0.0298 0.0298 0.0800 0.0800 4.1475 4.1475 5.6764 5.6764 6.5858 6.5858 6.7126 6.7126 7.0099 7.0099 7.4557 7.4557 9.9524 9.9524 10.5046 10.5046 10.7396 10.7396 11.5412 11.5532 k = 0.1905 0.1100 0.3056 ( 4250 PWs) bands (ev): -32.9008 -32.9008 -14.1714 -14.1714 -13.8079 -13.8079 -13.7772 -13.7772 -2.8157 -2.8157 -2.8003 -2.8003 -0.9549 -0.9549 -0.9282 -0.9282 -0.8948 -0.8948 -0.7518 -0.7518 -0.3341 -0.3341 -0.2418 -0.2418 -0.1830 -0.1830 -0.0157 -0.0157 0.0340 0.0340 0.0848 0.0848 4.1356 4.1356 5.5507 5.5507 6.5772 6.5772 6.6655 6.6655 6.9571 6.9571 7.4365 7.4365 9.9687 9.9687 10.5093 10.5093 10.6896 10.6896 11.5939 11.5954 k = 0.2024 0.1168 0.3056 ( 4268 PWs) bands (ev): -32.9008 -32.9008 -14.1719 -14.1719 -13.8082 -13.8082 -13.7781 -13.7781 -2.8045 -2.8045 -2.7883 -2.7883 -0.9521 -0.9521 -0.9239 -0.9239 -0.8897 -0.8897 -0.7445 -0.7445 -0.3276 -0.3276 -0.2391 -0.2391 -0.1794 -0.1794 -0.0223 -0.0223 0.0386 0.0386 0.0905 0.0905 4.1214 4.1214 5.4226 5.4226 6.5452 6.5452 6.6488 6.6488 6.9039 6.9039 7.4175 7.4175 9.9784 9.9784 10.4951 10.4951 10.6509 10.6509 11.6482 11.6499 k = 0.2143 0.1237 0.3056 ( 4256 PWs) bands (ev): -32.9007 -32.9007 -14.1723 -14.1723 -13.8085 -13.8085 -13.7789 -13.7789 -2.7933 -2.7933 -2.7758 -2.7758 -0.9491 -0.9491 -0.9204 -0.9204 -0.8830 -0.8830 -0.7367 -0.7367 -0.3206 -0.3206 -0.2361 -0.2361 -0.1760 -0.1760 -0.0288 -0.0288 0.0435 0.0435 0.0976 0.0976 4.1045 4.1045 5.2939 5.2939 6.4955 6.4955 6.6559 6.6559 6.8510 6.8510 7.3988 7.3988 9.9813 9.9813 10.4688 10.4688 10.6211 10.6211 11.6845 11.6849 k = 0.2262 0.1306 0.3056 ( 4260 PWs) bands (ev): -32.9006 -32.9006 -14.1727 -14.1727 -13.8088 -13.8088 -13.7798 -13.7798 -2.7821 -2.7821 -2.7631 -2.7631 -0.9462 -0.9462 -0.9176 -0.9176 -0.8751 -0.8751 -0.7286 -0.7286 -0.3134 -0.3134 -0.2329 -0.2329 -0.1731 -0.1731 -0.0355 -0.0355 0.0482 0.0482 0.1059 0.1059 4.0849 4.0849 5.1655 5.1655 6.4422 6.4422 6.6710 6.6710 6.7995 6.7995 7.3803 7.3803 9.9768 9.9768 10.4401 10.4401 10.5945 10.5945 11.5971 11.5971 k = 0.2381 0.1375 0.3056 ( 4256 PWs) bands (ev): -32.9005 -32.9005 -14.1732 -14.1732 -13.8091 -13.8091 -13.7807 -13.7807 -2.7709 -2.7709 -2.7502 -2.7502 -0.9432 -0.9432 -0.9152 -0.9152 -0.8663 -0.8663 -0.7201 -0.7201 -0.3060 -0.3060 -0.2295 -0.2295 -0.1705 -0.1705 -0.0420 -0.0420 0.0528 0.0528 0.1158 0.1158 4.0623 4.0623 5.0385 5.0385 6.3901 6.3901 6.6853 6.6853 6.7536 6.7536 7.3622 7.3622 9.9648 9.9648 10.4155 10.4155 10.5674 10.5674 11.5040 11.5040 k = 0.2500 0.1443 0.3056 ( 4254 PWs) bands (ev): -32.9004 -32.9004 -14.1736 -14.1736 -13.8094 -13.8094 -13.7815 -13.7815 -2.7599 -2.7599 -2.7372 -2.7372 -0.9403 -0.9403 -0.9130 -0.9130 -0.8570 -0.8570 -0.7112 -0.7112 -0.2986 -0.2986 -0.2257 -0.2257 -0.1685 -0.1685 -0.0483 -0.0483 0.0573 0.0573 0.1270 0.1270 4.0368 4.0368 4.9134 4.9134 6.3405 6.3405 6.6732 6.6732 6.7374 6.7374 7.3443 7.3443 9.9463 9.9463 10.3976 10.3976 10.5386 10.5386 11.4092 11.4092 k = 0.2619 0.1512 0.3056 ( 4254 PWs) bands (ev): -32.9003 -32.9003 -14.1741 -14.1741 -13.8097 -13.8097 -13.7823 -13.7823 -2.7491 -2.7491 -2.7242 -2.7242 -0.9374 -0.9374 -0.9110 -0.9110 -0.8475 -0.8475 -0.7018 -0.7018 -0.2914 -0.2914 -0.2214 -0.2214 -0.1669 -0.1669 -0.0542 -0.0542 0.0616 0.0616 0.1395 0.1395 4.0083 4.0083 4.7908 4.7908 6.2941 6.2941 6.6304 6.6304 6.7549 6.7549 7.3269 7.3269 9.9228 9.9228 10.3862 10.3862 10.5084 10.5084 11.3141 11.3141 k = 0.2738 0.1581 0.3056 ( 4254 PWs) bands (ev): -32.9003 -32.9003 -14.1746 -14.1746 -13.8101 -13.8101 -13.7831 -13.7831 -2.7385 -2.7385 -2.7113 -2.7113 -0.9346 -0.9346 -0.9090 -0.9090 -0.8379 -0.8379 -0.6920 -0.6920 -0.2845 -0.2845 -0.2166 -0.2166 -0.1658 -0.1658 -0.0597 -0.0597 0.0659 0.0659 0.1531 0.1531 3.9769 3.9769 4.6712 4.6712 6.2510 6.2510 6.5826 6.5826 6.7799 6.7799 7.3100 7.3100 9.8964 9.8964 10.3787 10.3787 10.4785 10.4785 11.2197 11.2197 k = 0.2857 0.1650 0.3056 ( 4244 PWs) bands (ev): -32.9002 -32.9002 -14.1750 -14.1750 -13.8105 -13.8105 -13.7838 -13.7838 -2.7282 -2.7282 -2.6985 -2.6985 -0.9318 -0.9318 -0.9069 -0.9069 -0.8284 -0.8284 -0.6817 -0.6817 -0.2782 -0.2782 -0.2113 -0.2113 -0.1650 -0.1650 -0.0643 -0.0643 0.0704 0.0704 0.1676 0.1676 3.9426 3.9426 4.5550 4.5550 6.2116 6.2116 6.5349 6.5349 6.8071 6.8071 7.2936 7.2936 9.8692 9.8692 10.3700 10.3700 10.4530 10.4530 11.1266 11.1266 k = 0.2976 0.1718 0.3056 ( 4252 PWs) bands (ev): -32.9001 -32.9001 -14.1755 -14.1755 -13.8109 -13.8109 -13.7846 -13.7846 -2.7182 -2.7182 -2.6860 -2.6860 -0.9292 -0.9292 -0.9049 -0.9049 -0.8193 -0.8193 -0.6710 -0.6710 -0.2728 -0.2728 -0.2056 -0.2056 -0.1645 -0.1645 -0.0682 -0.0682 0.0749 0.0749 0.1827 0.1827 3.9057 3.9057 4.4427 4.4427 6.1757 6.1757 6.4885 6.4885 6.8353 6.8353 7.2779 7.2779 9.8426 9.8426 10.3524 10.3524 10.4386 10.4386 11.0357 11.0357 k = 0.3095 0.1787 0.3056 ( 4252 PWs) bands (ev): -32.9000 -32.9000 -14.1760 -14.1760 -13.8113 -13.8113 -13.7853 -13.7853 -2.7086 -2.7086 -2.6739 -2.6739 -0.9266 -0.9266 -0.9029 -0.9029 -0.8105 -0.8105 -0.6599 -0.6599 -0.2682 -0.2682 -0.1999 -0.1999 -0.1639 -0.1639 -0.0709 -0.0709 0.0799 0.0799 0.1981 0.1981 3.8664 3.8664 4.3346 4.3346 6.1433 6.1433 6.4437 6.4437 6.8641 6.8641 7.2630 7.2630 9.8180 9.8180 10.3231 10.3231 10.4371 10.4371 10.9477 10.9477 k = 0.3214 0.1856 0.3056 ( 4258 PWs) bands (ev): -32.9000 -32.9000 -14.1764 -14.1764 -13.8117 -13.8117 -13.7859 -13.7859 -2.6994 -2.6994 -2.6621 -2.6621 -0.9240 -0.9240 -0.9010 -0.9010 -0.8023 -0.8023 -0.6486 -0.6486 -0.2644 -0.2644 -0.1950 -0.1950 -0.1629 -0.1629 -0.0724 -0.0724 0.0854 0.0854 0.2138 0.2138 3.8250 3.8250 4.2313 4.2313 6.1143 6.1143 6.4007 6.4007 6.8929 6.8929 7.2491 7.2491 9.7960 9.7960 10.2866 10.2866 10.4434 10.4434 10.8634 10.8634 k = 0.3333 0.1925 0.3056 ( 4250 PWs) bands (ev): -32.8999 -32.8999 -14.1769 -14.1769 -13.8121 -13.8121 -13.7865 -13.7865 -2.6906 -2.6906 -2.6508 -2.6508 -0.9214 -0.9214 -0.8990 -0.8990 -0.7944 -0.7944 -0.6370 -0.6370 -0.2614 -0.2614 -0.1917 -0.1917 -0.1608 -0.1608 -0.0722 -0.0722 0.0916 0.0916 0.2293 0.2293 3.7818 3.7818 4.1330 4.1330 6.0884 6.0884 6.3599 6.3599 6.9213 6.9213 7.2365 7.2365 9.7773 9.7773 10.2467 10.2467 10.4531 10.4531 10.7836 10.7836 k = 0.3452 0.1993 0.3056 ( 4252 PWs) bands (ev): -32.8998 -32.8998 -14.1773 -14.1773 -13.8125 -13.8125 -13.7870 -13.7870 -2.6823 -2.6823 -2.6401 -2.6401 -0.9190 -0.9190 -0.8971 -0.8971 -0.7871 -0.7871 -0.6254 -0.6254 -0.2591 -0.2591 -0.1906 -0.1906 -0.1577 -0.1577 -0.0704 -0.0704 0.0986 0.0986 0.2445 0.2445 3.7373 3.7373 4.0404 4.0404 6.0655 6.0655 6.3212 6.3212 6.9490 6.9490 7.2253 7.2253 9.7619 9.7619 10.2050 10.2050 10.4635 10.4635 10.7097 10.7097 k = 0.3571 0.2062 0.3056 ( 4258 PWs) bands (ev): -32.8998 -32.8998 -14.1777 -14.1777 -13.8129 -13.8129 -13.7876 -13.7876 -2.6746 -2.6746 -2.6300 -2.6300 -0.9166 -0.9166 -0.8954 -0.8954 -0.7804 -0.7804 -0.6139 -0.6139 -0.2573 -0.2573 -0.1915 -0.1915 -0.1540 -0.1540 -0.0669 -0.0669 0.1065 0.1065 0.2590 0.2590 3.6918 3.6918 3.9538 3.9538 6.0454 6.0454 6.2850 6.2850 6.9752 6.9752 7.2159 7.2159 9.7499 9.7499 10.1626 10.1626 10.4710 10.4710 10.6446 10.6446 k = 0.3690 0.2131 0.3056 ( 4262 PWs) bands (ev): -32.8997 -32.8997 -14.1781 -14.1781 -13.8134 -13.8134 -13.7880 -13.7880 -2.6674 -2.6674 -2.6205 -2.6205 -0.9142 -0.9142 -0.8939 -0.8939 -0.7743 -0.7743 -0.6025 -0.6025 -0.2559 -0.2559 -0.1938 -0.1938 -0.1504 -0.1504 -0.0619 -0.0619 0.1157 0.1157 0.2726 0.2726 3.6458 3.6458 3.8737 3.8737 6.0277 6.0277 6.2513 6.2513 6.9994 6.9994 7.2088 7.2088 9.7410 9.7410 10.1206 10.1206 10.4677 10.4677 10.5958 10.5958 k = 0.3810 0.2199 0.3056 ( 4262 PWs) bands (ev): -32.8996 -32.8996 -14.1784 -14.1784 -13.8137 -13.8137 -13.7884 -13.7884 -2.6607 -2.6607 -2.6116 -2.6116 -0.9119 -0.9119 -0.8925 -0.8925 -0.7687 -0.7687 -0.5916 -0.5916 -0.2549 -0.2549 -0.1970 -0.1970 -0.1473 -0.1473 -0.0557 -0.0557 0.1261 0.1261 0.2849 0.2849 3.5998 3.5998 3.8005 3.8005 6.0124 6.0124 6.2202 6.2202 7.0207 7.0207 7.2046 7.2046 9.7347 9.7347 10.0801 10.0801 10.4419 10.4419 10.5745 10.5745 k = 0.3929 0.2268 0.3056 ( 4260 PWs) bands (ev): -32.8996 -32.8996 -14.1788 -14.1788 -13.8141 -13.8141 -13.7888 -13.7888 -2.6546 -2.6546 -2.6036 -2.6036 -0.9097 -0.9097 -0.8912 -0.8912 -0.7637 -0.7637 -0.5811 -0.5811 -0.2541 -0.2541 -0.2007 -0.2007 -0.1448 -0.1448 -0.0490 -0.0490 0.1378 0.1378 0.2958 0.2958 3.5544 3.5544 3.7345 3.7345 5.9991 5.9991 6.1918 6.1918 7.0383 7.0383 7.2039 7.2039 9.7305 9.7305 10.0422 10.0422 10.3981 10.3981 10.5758 10.5758 k = 0.4048 0.2337 0.3056 ( 4264 PWs) bands (ev): -32.8995 -32.8995 -14.1791 -14.1791 -13.8144 -13.8144 -13.7891 -13.7891 -2.6492 -2.6492 -2.5962 -2.5962 -0.9076 -0.9076 -0.8903 -0.8903 -0.7592 -0.7592 -0.5713 -0.5713 -0.2534 -0.2534 -0.2047 -0.2047 -0.1431 -0.1431 -0.0422 -0.0422 0.1508 0.1508 0.3050 0.3050 3.5104 3.5104 3.6759 3.6759 5.9877 5.9877 6.1661 6.1661 7.0515 7.0515 7.2071 7.2071 9.7272 9.7272 10.0086 10.0086 10.3492 10.3492 10.5863 10.5863 k = 0.4167 0.2406 0.3056 ( 4262 PWs) bands (ev): -32.8995 -32.8995 -14.1794 -14.1794 -13.8147 -13.8147 -13.7894 -13.7894 -2.6443 -2.6443 -2.5897 -2.5897 -0.9056 -0.9056 -0.8895 -0.8895 -0.7552 -0.7552 -0.5623 -0.5623 -0.2527 -0.2527 -0.2088 -0.2088 -0.1417 -0.1417 -0.0357 -0.0357 0.1648 0.1648 0.3123 0.3123 3.4686 3.4686 3.6246 3.6246 5.9780 5.9780 6.1434 6.1434 7.0603 7.0603 7.2138 7.2138 9.7238 9.7238 9.9812 9.9812 10.3006 10.3006 10.5998 10.5998 k = 0.4286 0.2474 0.3056 ( 4266 PWs) bands (ev): -32.8995 -32.8995 -14.1796 -14.1796 -13.8150 -13.8150 -13.7897 -13.7897 -2.6401 -2.6401 -2.5840 -2.5840 -0.9037 -0.9037 -0.8889 -0.8889 -0.7518 -0.7518 -0.5542 -0.5542 -0.2520 -0.2520 -0.2129 -0.2129 -0.1408 -0.1408 -0.0300 -0.0300 0.1794 0.1794 0.3175 0.3175 3.4302 3.4302 3.5805 3.5805 5.9699 5.9699 6.1236 6.1236 7.0654 7.0654 7.2231 7.2231 9.7189 9.7189 9.9615 9.9615 10.2543 10.2543 10.6138 10.6138 k = 0.4405 0.2543 0.3056 ( 4270 PWs) bands (ev): -32.8994 -32.8994 -14.1798 -14.1798 -13.8153 -13.8153 -13.7899 -13.7899 -2.6365 -2.6365 -2.5792 -2.5792 -0.9020 -0.9020 -0.8885 -0.8885 -0.7490 -0.7490 -0.5472 -0.5472 -0.2512 -0.2512 -0.2169 -0.2169 -0.1401 -0.1401 -0.0251 -0.0251 0.1943 0.1943 0.3207 0.3207 3.3960 3.3960 3.5433 3.5433 5.9632 5.9632 6.1067 6.1067 7.0678 7.0678 7.2336 7.2336 9.7121 9.7121 9.9508 9.9508 10.2109 10.2109 10.6272 10.6272 k = 0.4524 0.2612 0.3056 ( 4274 PWs) bands (ev): -32.8994 -32.8994 -14.1800 -14.1800 -13.8155 -13.8155 -13.7901 -13.7901 -2.6335 -2.6335 -2.5752 -2.5752 -0.9005 -0.9005 -0.8883 -0.8883 -0.7467 -0.7467 -0.5414 -0.5414 -0.2504 -0.2504 -0.2206 -0.2206 -0.1396 -0.1396 -0.0211 -0.0211 0.2088 0.2088 0.3219 0.3219 3.3669 3.3669 3.5131 3.5131 5.9578 5.9578 6.0929 6.0929 7.0685 7.0685 7.2439 7.2439 9.7035 9.7035 9.9489 9.9489 10.1707 10.1707 10.6391 10.6391 k = 0.4643 0.2681 0.3056 ( 4270 PWs) bands (ev): -32.8994 -32.8994 -14.1801 -14.1801 -13.8156 -13.8156 -13.7902 -13.7902 -2.6312 -2.6312 -2.5721 -2.5721 -0.8993 -0.8993 -0.8881 -0.8881 -0.7448 -0.7448 -0.5367 -0.5367 -0.2494 -0.2494 -0.2237 -0.2237 -0.1392 -0.1392 -0.0179 -0.0179 0.2220 0.2220 0.3215 0.3215 3.3436 3.3436 3.4895 3.4895 5.9537 5.9537 6.0822 6.0822 7.0684 7.0684 7.2530 7.2530 9.6945 9.6945 9.9547 9.9547 10.1341 10.1341 10.6491 10.6491 k = 0.4762 0.2749 0.3056 ( 4268 PWs) bands (ev): -32.8994 -32.8994 -14.1802 -14.1802 -13.8157 -13.8157 -13.7903 -13.7903 -2.6296 -2.6296 -2.5698 -2.5698 -0.8983 -0.8983 -0.8881 -0.8881 -0.7435 -0.7435 -0.5333 -0.5333 -0.2485 -0.2485 -0.2263 -0.2263 -0.1389 -0.1389 -0.0157 -0.0157 0.2331 0.2331 0.3199 0.3199 3.3266 3.3266 3.4726 3.4726 5.9508 5.9508 6.0745 6.0745 7.0680 7.0680 7.2600 7.2600 9.6867 9.6867 9.9658 9.9658 10.1023 10.1023 10.6565 10.6565 k = 0.4881 0.2818 0.3056 ( 4268 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6286 -2.6286 -2.5685 -2.5685 -0.8976 -0.8976 -0.8881 -0.8881 -0.7427 -0.7427 -0.5312 -0.5312 -0.2478 -0.2478 -0.2281 -0.2281 -0.1388 -0.1388 -0.0144 -0.0144 0.2406 0.2406 0.3181 0.3181 3.3163 3.3163 3.4625 3.4625 5.9491 5.9491 6.0699 6.0699 7.0676 7.0676 7.2644 7.2644 9.6815 9.6815 9.9782 9.9782 10.0779 10.0779 10.6611 10.6611 k = 0.5000 0.2887 0.3056 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6283 -2.6283 -2.5680 -2.5680 -0.8974 -0.8974 -0.8882 -0.8882 -0.7425 -0.7425 -0.5305 -0.5305 -0.2475 -0.2475 -0.2287 -0.2287 -0.1388 -0.1388 -0.0140 -0.0140 0.2433 0.2433 0.3174 0.3174 3.3129 3.3129 3.4591 3.4591 5.9485 5.9485 6.0683 6.0683 7.0675 7.0675 7.2659 7.2659 9.6796 9.6796 9.9844 9.9844 10.0678 10.0678 10.6627 10.6627 k = 0.5000 0.2887 0.3056 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6283 -2.6283 -2.5680 -2.5680 -0.8974 -0.8974 -0.8882 -0.8882 -0.7425 -0.7425 -0.5305 -0.5305 -0.2475 -0.2475 -0.2287 -0.2287 -0.1388 -0.1388 -0.0140 -0.0140 0.2433 0.2433 0.3174 0.3174 3.3129 3.3129 3.4591 3.4591 5.9485 5.9485 6.0683 6.0683 7.0675 7.0675 7.2659 7.2659 9.6796 9.6796 9.9844 9.9844 10.0678 10.0678 10.6627 10.6627 k = 0.4931 0.3007 0.3056 ( 4268 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7904 -13.7904 -2.6281 -2.6281 -2.5679 -2.5679 -0.8978 -0.8978 -0.8876 -0.8876 -0.7425 -0.7425 -0.5305 -0.5305 -0.2475 -0.2475 -0.2284 -0.2284 -0.1388 -0.1388 -0.0140 -0.0140 0.2434 0.2434 0.3179 0.3179 3.3136 3.3136 3.4596 3.4596 5.9489 5.9489 6.0623 6.0623 7.0617 7.0617 7.2633 7.2633 9.6813 9.6813 9.9945 9.9945 10.0753 10.0753 10.6606 10.6606 k = 0.4861 0.3127 0.3056 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7904 -13.7904 -2.6275 -2.6275 -2.5676 -2.5676 -0.8990 -0.8990 -0.8862 -0.8862 -0.7426 -0.7426 -0.5306 -0.5306 -0.2475 -0.2475 -0.2274 -0.2274 -0.1388 -0.1388 -0.0140 -0.0140 0.2436 0.2436 0.3193 0.3193 3.3159 3.3159 3.4611 3.4611 5.9499 5.9499 6.0447 6.0447 7.0445 7.0445 7.2558 7.2558 9.6863 9.6863 10.0247 10.0247 10.0975 10.0975 10.6546 10.6546 k = 0.4792 0.3248 0.3056 ( 4260 PWs) bands (ev): -32.8993 -32.8993 -14.1803 -14.1803 -13.8157 -13.8157 -13.7906 -13.7906 -2.6267 -2.6267 -2.5672 -2.5672 -0.9005 -0.9005 -0.8843 -0.8843 -0.7429 -0.7429 -0.5308 -0.5308 -0.2474 -0.2474 -0.2258 -0.2258 -0.1388 -0.1388 -0.0141 -0.0141 0.2438 0.2438 0.3217 0.3217 3.3198 3.3198 3.4635 3.4635 5.9507 5.9507 6.0166 6.0166 7.0159 7.0159 7.2447 7.2447 9.6944 9.6944 10.0739 10.0739 10.1334 10.1334 10.6455 10.6455 k = 0.4722 0.3368 0.3056 ( 4266 PWs) bands (ev): -32.8993 -32.8993 -14.1803 -14.1803 -13.8156 -13.8156 -13.7909 -13.7909 -2.6255 -2.6255 -2.5666 -2.5666 -0.9021 -0.9021 -0.8822 -0.8822 -0.7432 -0.7432 -0.5310 -0.5310 -0.2473 -0.2473 -0.2238 -0.2238 -0.1388 -0.1388 -0.0143 -0.0143 0.2442 0.2442 0.3249 0.3249 3.3251 3.3251 3.4668 3.4668 5.9471 5.9471 5.9830 5.9830 6.9767 6.9767 7.2312 7.2312 9.7053 9.7053 10.1403 10.1403 10.1817 10.1817 10.6347 10.6347 k = 0.4653 0.3488 0.3056 ( 4274 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8154 -13.8154 -13.7912 -13.7912 -2.6240 -2.6240 -2.5658 -2.5658 -0.9038 -0.9038 -0.8801 -0.8801 -0.7437 -0.7437 -0.5313 -0.5313 -0.2467 -0.2467 -0.2216 -0.2216 -0.1388 -0.1388 -0.0149 -0.0149 0.2449 0.2449 0.3290 0.3290 3.3319 3.3319 3.4710 3.4710 5.9166 5.9166 5.9671 5.9671 6.9284 6.9284 7.2161 7.2161 9.7189 9.7189 10.2204 10.2204 10.2411 10.2411 10.6243 10.6243 k = 0.4583 0.3608 0.3056 ( 4270 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8152 -13.8152 -13.7915 -13.7915 -2.6222 -2.6222 -2.5649 -2.5649 -0.9053 -0.9053 -0.8777 -0.8777 -0.7442 -0.7442 -0.5315 -0.5315 -0.2458 -0.2458 -0.2191 -0.2191 -0.1386 -0.1386 -0.0156 -0.0156 0.2459 0.2459 0.3339 0.3339 3.3400 3.3400 3.4760 3.4760 5.8627 5.8627 5.9663 5.9663 6.8735 6.8735 7.1997 7.1997 9.7351 9.7351 10.2965 10.2965 10.3226 10.3226 10.6184 10.6184 k = 0.4514 0.3729 0.3056 ( 4264 PWs) bands (ev): -32.8993 -32.8993 -14.1805 -14.1805 -13.8150 -13.8150 -13.7919 -13.7919 -2.6201 -2.6201 -2.5638 -2.5638 -0.9068 -0.9068 -0.8753 -0.8753 -0.7448 -0.7448 -0.5315 -0.5315 -0.2445 -0.2445 -0.2163 -0.2163 -0.1385 -0.1385 -0.0168 -0.0168 0.2472 0.2472 0.3397 0.3397 3.3494 3.3494 3.4817 3.4817 5.7998 5.7998 5.9668 5.9668 6.8148 6.8148 7.1820 7.1820 9.7537 9.7537 10.3568 10.3568 10.4271 10.4271 10.6246 10.6246 k = 0.4444 0.3849 0.3056 ( 4268 PWs) bands (ev): -32.8993 -32.8993 -14.1805 -14.1805 -13.8148 -13.8148 -13.7924 -13.7924 -2.6178 -2.6178 -2.5625 -2.5625 -0.9083 -0.9083 -0.8729 -0.8729 -0.7456 -0.7456 -0.5315 -0.5315 -0.2430 -0.2430 -0.2135 -0.2135 -0.1382 -0.1382 -0.0185 -0.0185 0.2488 0.2488 0.3460 0.3460 3.3600 3.3600 3.4880 3.4880 5.7312 5.7312 5.9657 5.9657 6.7553 6.7553 7.1631 7.1631 9.7747 9.7747 10.3990 10.3990 10.5417 10.5417 10.6553 10.6553 k = 0.4375 0.3969 0.3056 ( 4264 PWs) bands (ev): -32.8993 -32.8993 -14.1806 -14.1806 -13.8145 -13.8145 -13.7929 -13.7929 -2.6153 -2.6153 -2.5612 -2.5612 -0.9096 -0.9096 -0.8704 -0.8704 -0.7465 -0.7465 -0.5313 -0.5313 -0.2411 -0.2411 -0.2104 -0.2104 -0.1379 -0.1379 -0.0206 -0.0206 0.2507 0.2507 0.3531 0.3531 3.3716 3.3716 3.4947 3.4947 5.6587 5.6587 5.9616 5.9616 6.6980 6.6980 7.1428 7.1428 9.7979 9.7979 10.4162 10.4162 10.6629 10.6629 10.7173 10.7173 k = 0.4306 0.4090 0.3056 ( 4264 PWs) bands (ev): -32.8993 -32.8993 -14.1806 -14.1806 -13.8142 -13.8142 -13.7935 -13.7935 -2.6127 -2.6127 -2.5597 -2.5597 -0.9109 -0.9109 -0.8679 -0.8679 -0.7475 -0.7475 -0.5309 -0.5309 -0.2390 -0.2390 -0.2072 -0.2072 -0.1374 -0.1374 -0.0233 -0.0233 0.2529 0.2529 0.3607 0.3607 3.3840 3.3840 3.5018 3.5018 5.5838 5.5838 5.9528 5.9528 6.6459 6.6459 7.1212 7.1212 9.8233 9.8233 10.4149 10.4149 10.7884 10.7884 10.8037 10.8037 k = 0.4236 0.4210 0.3056 ( 4260 PWs) bands (ev): -32.8992 -32.8992 -14.1807 -14.1807 -13.8139 -13.8139 -13.7941 -13.7941 -2.6100 -2.6100 -2.5582 -2.5582 -0.9120 -0.9120 -0.8655 -0.8655 -0.7486 -0.7486 -0.5303 -0.5303 -0.2367 -0.2367 -0.2037 -0.2037 -0.1369 -0.1369 -0.0266 -0.0266 0.2554 0.2554 0.3688 0.3688 3.3971 3.3971 3.5090 3.5090 5.5076 5.5076 5.9381 5.9381 6.6017 6.6017 7.0983 7.0983 9.8506 9.8506 10.4041 10.4041 10.9036 10.9036 10.9167 10.9167 k = 0.4167 0.4330 0.3056 ( 4272 PWs) bands (ev): -32.8992 -32.8992 -14.1808 -14.1808 -13.8135 -13.8135 -13.7947 -13.7947 -2.6072 -2.6072 -2.5566 -2.5566 -0.9131 -0.9131 -0.8631 -0.8631 -0.7498 -0.7498 -0.5296 -0.5296 -0.2346 -0.2346 -0.2000 -0.2000 -0.1363 -0.1363 -0.0304 -0.0304 0.2580 0.2580 0.3772 0.3772 3.4107 3.4107 3.5163 3.5163 5.4316 5.4316 5.9164 5.9164 6.5676 6.5676 7.0741 7.0741 9.8795 9.8795 10.3890 10.3890 11.0119 11.0119 11.0444 11.0444 k = 0.4097 0.4450 0.3056 ( 4272 PWs) bands (ev): -32.8992 -32.8992 -14.1809 -14.1809 -13.8132 -13.8132 -13.7954 -13.7954 -2.6045 -2.6045 -2.5550 -2.5550 -0.9140 -0.9140 -0.8608 -0.8608 -0.7511 -0.7511 -0.5286 -0.5286 -0.2324 -0.2324 -0.1959 -0.1959 -0.1356 -0.1356 -0.0346 -0.0346 0.2609 0.2609 0.3859 0.3859 3.4244 3.4244 3.5236 3.5236 5.3569 5.3569 5.8879 5.8879 6.5445 6.5445 7.0488 7.0488 9.9099 9.9099 10.3721 10.3721 11.1248 11.1248 11.1698 11.1698 k = 0.4028 0.4571 0.3056 ( 4276 PWs) bands (ev): -32.8992 -32.8992 -14.1809 -14.1809 -13.8128 -13.8128 -13.7960 -13.7960 -2.6017 -2.6017 -2.5533 -2.5533 -0.9149 -0.9149 -0.8585 -0.8585 -0.7524 -0.7524 -0.5275 -0.5275 -0.2304 -0.2304 -0.1915 -0.1915 -0.1349 -0.1349 -0.0393 -0.0393 0.2639 0.2639 0.3947 0.3947 3.4380 3.4380 3.5305 3.5305 5.2845 5.2845 5.8535 5.8535 6.5323 6.5323 7.0225 7.0225 9.9414 9.9414 10.3546 10.3546 11.2399 11.2399 11.2895 11.2895 k = 0.3958 0.4691 0.3056 ( 4264 PWs) bands (ev): -32.8992 -32.8992 -14.1810 -14.1810 -13.8124 -13.8124 -13.7966 -13.7966 -2.5990 -2.5990 -2.5516 -2.5516 -0.9155 -0.9155 -0.8562 -0.8562 -0.7536 -0.7536 -0.5262 -0.5262 -0.2286 -0.2286 -0.1867 -0.1867 -0.1339 -0.1339 -0.0441 -0.0441 0.2670 0.2670 0.4035 0.4035 3.4511 3.4511 3.5371 3.5371 5.2155 5.2155 5.8150 5.8150 6.5300 6.5300 6.9952 6.9952 9.9736 9.9736 10.3370 10.3370 11.3557 11.3557 11.3995 11.3995 k = 0.3889 0.4811 0.3056 ( 4264 PWs) bands (ev): -32.8992 -32.8992 -14.1811 -14.1811 -13.8120 -13.8120 -13.7973 -13.7973 -2.5965 -2.5965 -2.5499 -2.5499 -0.9161 -0.9161 -0.8540 -0.8540 -0.7549 -0.7549 -0.5248 -0.5248 -0.2271 -0.2271 -0.1817 -0.1817 -0.1330 -0.1330 -0.0493 -0.0493 0.2702 0.2702 0.4120 0.4120 3.4634 3.4634 3.5431 3.5431 5.1510 5.1510 5.7747 5.7747 6.5359 6.5359 6.9673 6.9673 10.0060 10.0060 10.3198 10.3198 11.4705 11.4705 11.4943 11.4943 k = 0.3819 0.4932 0.3056 ( 4264 PWs) bands (ev): -32.8991 -32.8991 -14.1811 -14.1811 -13.8117 -13.8117 -13.7979 -13.7979 -2.5942 -2.5942 -2.5483 -2.5483 -0.9166 -0.9166 -0.8521 -0.8521 -0.7561 -0.7561 -0.5233 -0.5233 -0.2259 -0.2259 -0.1767 -0.1767 -0.1320 -0.1320 -0.0545 -0.0545 0.2733 0.2733 0.4201 0.4201 3.4745 3.4745 3.5486 3.5486 5.0917 5.0917 5.7347 5.7347 6.5485 6.5485 6.9387 6.9387 10.0382 10.0382 10.3032 10.3032 11.5641 11.5641 11.5855 11.5855 k = 0.3750 0.5052 0.3056 ( 4256 PWs) bands (ev): -32.8991 -32.8991 -14.1812 -14.1812 -13.8113 -13.8113 -13.7985 -13.7985 -2.5920 -2.5920 -2.5468 -2.5468 -0.9170 -0.9170 -0.8502 -0.8502 -0.7572 -0.7572 -0.5218 -0.5218 -0.2249 -0.2249 -0.1717 -0.1717 -0.1310 -0.1310 -0.0596 -0.0596 0.2764 0.2764 0.4276 0.4276 3.4839 3.4839 3.5535 3.5535 5.0387 5.0387 5.6968 5.6968 6.5663 6.5663 6.9096 6.9096 10.0696 10.0696 10.2872 10.2872 11.6080 11.6080 11.6940 11.6940 k = 0.3681 0.5172 0.3056 ( 4256 PWs) bands (ev): -32.8991 -32.8991 -14.1812 -14.1812 -13.8110 -13.8110 -13.7990 -13.7990 -2.5902 -2.5902 -2.5454 -2.5454 -0.9173 -0.9173 -0.8486 -0.8486 -0.7582 -0.7582 -0.5203 -0.5203 -0.2242 -0.2242 -0.1671 -0.1671 -0.1299 -0.1299 -0.0645 -0.0645 0.2793 0.2793 0.4342 0.4342 3.4916 3.4916 3.5576 3.5576 4.9926 4.9926 5.6626 5.6626 6.5879 6.5879 6.8802 6.8802 10.0995 10.0995 10.2719 10.2719 11.6253 11.6253 11.7970 11.7970 k = 0.3611 0.5292 0.3056 ( 4252 PWs) bands (ev): -32.8991 -32.8991 -14.1813 -14.1813 -13.8107 -13.8107 -13.7995 -13.7995 -2.5886 -2.5886 -2.5441 -2.5441 -0.9175 -0.9175 -0.8471 -0.8471 -0.7591 -0.7591 -0.5190 -0.5190 -0.2237 -0.2237 -0.1629 -0.1629 -0.1288 -0.1288 -0.0689 -0.0689 0.2820 0.2820 0.4399 0.4399 3.4972 3.4972 3.5611 3.5611 4.9542 4.9542 5.6334 5.6334 6.6124 6.6124 6.8507 6.8507 10.1273 10.1273 10.2573 10.2573 11.6261 11.6261 11.8904 11.8904 k = 0.3542 0.5413 0.3056 ( 4252 PWs) bands (ev): -32.8991 -32.8991 -14.1813 -14.1813 -13.8104 -13.8104 -13.7998 -13.7998 -2.5873 -2.5873 -2.5431 -2.5431 -0.9177 -0.9177 -0.8460 -0.8460 -0.7598 -0.7598 -0.5178 -0.5178 -0.2233 -0.2233 -0.1595 -0.1595 -0.1277 -0.1277 -0.0727 -0.0727 0.2843 0.2843 0.4445 0.4445 3.5009 3.5009 3.5637 3.5637 4.9240 4.9240 5.6098 5.6098 6.6388 6.6388 6.8213 6.8213 10.1523 10.1523 10.2435 10.2435 11.6197 11.6197 11.9691 11.9692 k = 0.3472 0.5533 0.3056 ( 4266 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8103 -13.8103 -13.8002 -13.8002 -2.5864 -2.5864 -2.5423 -2.5423 -0.9179 -0.9179 -0.8452 -0.8452 -0.7603 -0.7603 -0.5170 -0.5170 -0.2232 -0.2232 -0.1570 -0.1570 -0.1269 -0.1269 -0.0757 -0.0757 0.2861 0.2861 0.4478 0.4478 3.5030 3.5030 3.5654 3.5654 4.9023 4.9023 5.5927 5.5927 6.6660 6.6660 6.7925 6.7925 10.1740 10.1740 10.2303 10.2303 11.6121 11.6121 12.0274 12.0275 k = 0.3403 0.5653 0.3056 ( 4266 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8004 -13.8004 -2.5858 -2.5858 -2.5418 -2.5418 -0.9180 -0.9180 -0.8447 -0.8447 -0.7606 -0.7606 -0.5164 -0.5164 -0.2231 -0.2231 -0.1555 -0.1555 -0.1262 -0.1262 -0.0776 -0.0776 0.2874 0.2874 0.4499 0.4499 3.5039 3.5039 3.5663 3.5663 4.8893 4.8893 5.5823 5.5823 6.6920 6.6920 6.7659 6.7659 10.1917 10.1917 10.2179 10.2179 11.6064 11.6064 12.0615 12.0615 k = 0.3333 0.5774 0.3056 ( 4284 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5856 -2.5856 -2.5416 -2.5416 -0.9181 -0.9181 -0.8446 -0.8446 -0.7609 -0.7609 -0.5163 -0.5163 -0.2232 -0.2232 -0.1551 -0.1551 -0.1260 -0.1260 -0.0783 -0.0783 0.2877 0.2877 0.4505 0.4505 3.5040 3.5040 3.5666 3.5666 4.8850 4.8850 5.5788 5.5788 6.7069 6.7069 6.7508 6.7508 10.2031 10.2031 10.2083 10.2083 11.6044 11.6044 12.0719 12.0719 k = 0.3333 0.5774 0.3056 ( 4284 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5856 -2.5856 -2.5416 -2.5416 -0.9181 -0.9181 -0.8446 -0.8446 -0.7609 -0.7609 -0.5163 -0.5163 -0.2232 -0.2232 -0.1551 -0.1551 -0.1260 -0.1260 -0.0783 -0.0783 0.2877 0.2877 0.4505 0.4505 3.5040 3.5040 3.5666 3.5666 4.8850 4.8850 5.5788 5.5788 6.7069 6.7069 6.7508 6.7508 10.2031 10.2031 10.2083 10.2083 11.6044 11.6044 12.0719 12.0719 k = 0.3264 0.5653 0.3056 ( 4264 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8003 -13.8003 -2.5858 -2.5858 -2.5418 -2.5418 -0.9180 -0.9180 -0.8447 -0.8447 -0.7606 -0.7606 -0.5164 -0.5164 -0.2231 -0.2231 -0.1555 -0.1555 -0.1262 -0.1262 -0.0776 -0.0776 0.2873 0.2873 0.4499 0.4499 3.5041 3.5041 3.5665 3.5665 4.8892 4.8892 5.5823 5.5823 6.6922 6.6922 6.7656 6.7656 10.1941 10.1941 10.2155 10.2155 11.6064 11.6064 12.0640 12.0640 k = 0.3194 0.5533 0.3056 ( 4260 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8002 -13.8002 -2.5864 -2.5864 -2.5424 -2.5424 -0.9179 -0.9179 -0.8452 -0.8452 -0.7603 -0.7603 -0.5172 -0.5172 -0.2230 -0.2230 -0.1568 -0.1568 -0.1267 -0.1267 -0.0761 -0.0761 0.2856 0.2856 0.4478 0.4478 3.5047 3.5047 3.5664 3.5664 4.9015 4.9015 5.5925 5.5925 6.6665 6.6665 6.7911 6.7911 10.1836 10.1836 10.2208 10.2208 11.6115 11.6115 12.0453 12.0453 k = 0.3125 0.5413 0.3056 ( 4256 PWs) bands (ev): -32.8991 -32.8991 -14.1813 -14.1813 -13.8104 -13.8104 -13.7999 -13.7999 -2.5874 -2.5874 -2.5435 -2.5435 -0.9178 -0.9178 -0.8461 -0.8461 -0.7599 -0.7599 -0.5185 -0.5185 -0.2230 -0.2230 -0.1589 -0.1589 -0.1274 -0.1274 -0.0739 -0.0739 0.2825 0.2825 0.4445 0.4445 3.5064 3.5064 3.5670 3.5670 4.9214 4.9214 5.6094 5.6094 6.6393 6.6393 6.8176 6.8176 10.1736 10.1736 10.2226 10.2226 11.6178 11.6178 12.0229 12.0229 k = 0.3056 0.5292 0.3056 ( 4260 PWs) bands (ev): -32.8991 -32.8991 -14.1813 -14.1813 -13.8106 -13.8106 -13.7995 -13.7995 -2.5889 -2.5889 -2.5450 -2.5450 -0.9178 -0.9178 -0.8474 -0.8474 -0.7594 -0.7594 -0.5205 -0.5205 -0.2230 -0.2230 -0.1616 -0.1616 -0.1282 -0.1282 -0.0715 -0.0715 0.2777 0.2777 0.4399 0.4399 3.5098 3.5098 3.5687 3.5687 4.9484 4.9484 5.6325 5.6325 6.6121 6.6121 6.8432 6.8432 10.1643 10.1643 10.2214 10.2214 11.6223 11.6223 12.0025 12.0026 k = 0.2986 0.5172 0.3056 ( 4264 PWs) bands (ev): -32.8991 -32.8991 -14.1812 -14.1812 -13.8108 -13.8108 -13.7991 -13.7991 -2.5908 -2.5908 -2.5471 -2.5471 -0.9178 -0.9178 -0.8491 -0.8491 -0.7589 -0.7589 -0.5233 -0.5233 -0.2228 -0.2228 -0.1648 -0.1648 -0.1290 -0.1290 -0.0689 -0.0689 0.2712 0.2712 0.4341 0.4341 3.5155 3.5155 3.5724 3.5724 4.9820 4.9820 5.6615 5.6615 6.5853 6.5853 6.8673 6.8673 10.1557 10.1557 10.2179 10.2179 11.6211 11.6211 11.9893 11.9893 k = 0.2917 0.5052 0.3056 ( 4272 PWs) bands (ev): -32.8992 -32.8992 -14.1811 -14.1811 -13.8110 -13.8110 -13.7986 -13.7986 -2.5932 -2.5932 -2.5498 -2.5498 -0.9178 -0.9178 -0.8511 -0.8511 -0.7584 -0.7584 -0.5268 -0.5268 -0.2226 -0.2226 -0.1684 -0.1684 -0.1297 -0.1297 -0.0664 -0.0664 0.2629 0.2629 0.4273 0.4273 3.5238 3.5238 3.5785 3.5785 5.0214 5.0214 5.6960 5.6960 6.5593 6.5593 6.8893 6.8893 10.1479 10.1479 10.2130 10.2130 11.6110 11.6110 11.9865 11.9866 k = 0.2847 0.4932 0.3056 ( 4264 PWs) bands (ev): -32.8992 -32.8992 -14.1810 -14.1810 -13.8112 -13.8112 -13.7981 -13.7981 -2.5960 -2.5960 -2.5530 -2.5530 -0.9178 -0.9178 -0.8534 -0.8534 -0.7578 -0.7578 -0.5310 -0.5310 -0.2222 -0.2222 -0.1720 -0.1720 -0.1302 -0.1302 -0.0641 -0.0641 0.2528 0.2528 0.4195 0.4195 3.5348 3.5348 3.5879 3.5879 5.0663 5.0663 5.7356 5.7356 6.5341 6.5341 6.9090 6.9090 10.1411 10.1411 10.2074 10.2074 11.5912 11.5912 11.9940 11.9940 k = 0.2778 0.4811 0.3056 ( 4268 PWs) bands (ev): -32.8992 -32.8992 -14.1808 -14.1808 -13.8114 -13.8114 -13.7975 -13.7975 -2.5993 -2.5993 -2.5568 -2.5568 -0.9178 -0.9178 -0.8560 -0.8560 -0.7575 -0.7575 -0.5361 -0.5361 -0.2219 -0.2219 -0.1758 -0.1758 -0.1305 -0.1305 -0.0622 -0.0622 0.2410 0.2410 0.4107 0.4107 3.5486 3.5486 3.6014 3.6014 5.1160 5.1160 5.7799 5.7799 6.5100 6.5100 6.9260 6.9260 10.1352 10.1352 10.2019 10.2019 11.5633 11.5633 12.0059 12.0060 k = 0.2708 0.4691 0.3056 ( 4272 PWs) bands (ev): -32.8992 -32.8992 -14.1806 -14.1806 -13.8115 -13.8115 -13.7969 -13.7969 -2.6031 -2.6031 -2.5613 -2.5613 -0.9180 -0.9180 -0.8589 -0.8589 -0.7574 -0.7574 -0.5420 -0.5420 -0.2215 -0.2215 -0.1796 -0.1796 -0.1308 -0.1308 -0.0608 -0.0608 0.2277 0.2277 0.4010 0.4010 3.5648 3.5648 3.6199 3.6199 5.1702 5.1702 5.8284 5.8284 6.4870 6.4870 6.9400 6.9400 10.1305 10.1305 10.1970 10.1970 11.5300 11.5300 12.0072 12.0073 k = 0.2639 0.4571 0.3056 ( 4276 PWs) bands (ev): -32.8993 -32.8993 -14.1804 -14.1804 -13.8117 -13.8117 -13.7962 -13.7962 -2.6073 -2.6073 -2.5664 -2.5664 -0.9181 -0.9181 -0.8619 -0.8619 -0.7577 -0.7577 -0.5486 -0.5486 -0.2213 -0.2213 -0.1831 -0.1831 -0.1309 -0.1309 -0.0599 -0.0599 0.2132 0.2132 0.3902 0.3902 3.5831 3.5831 3.6441 3.6441 5.2285 5.2285 5.8807 5.8807 6.4652 6.4652 6.9510 6.9510 10.1271 10.1271 10.1933 10.1933 11.4941 11.4941 11.9866 11.9866 k = 0.2569 0.4450 0.3056 ( 4272 PWs) bands (ev): -32.8993 -32.8993 -14.1802 -14.1802 -13.8117 -13.8117 -13.7955 -13.7955 -2.6121 -2.6121 -2.5721 -2.5721 -0.9184 -0.9184 -0.8651 -0.8651 -0.7582 -0.7582 -0.5560 -0.5560 -0.2214 -0.2214 -0.1861 -0.1861 -0.1308 -0.1308 -0.0597 -0.0597 0.1979 0.1979 0.3786 0.3786 3.6032 3.6032 3.6746 3.6746 5.2903 5.2903 5.9363 5.9363 6.4450 6.4450 6.9587 6.9587 10.1252 10.1252 10.1912 10.1912 11.4575 11.4575 11.9496 11.9496 k = 0.2500 0.4330 0.3056 ( 4280 PWs) bands (ev): -32.8994 -32.8994 -14.1800 -14.1800 -13.8118 -13.8118 -13.7948 -13.7948 -2.6174 -2.6174 -2.5785 -2.5785 -0.9187 -0.9187 -0.8685 -0.8685 -0.7592 -0.7592 -0.5641 -0.5641 -0.2222 -0.2222 -0.1886 -0.1886 -0.1307 -0.1307 -0.0602 -0.0602 0.1820 0.1820 0.3659 0.3659 3.6251 3.6251 3.7116 3.7116 5.3555 5.3555 5.9948 5.9948 6.4263 6.4263 6.9631 6.9631 10.1249 10.1249 10.1908 10.1908 11.4216 11.4216 11.9038 11.9038 k = 0.2431 0.4210 0.3056 ( 4288 PWs) bands (ev): -32.8994 -32.8994 -14.1797 -14.1797 -13.8118 -13.8118 -13.7941 -13.7941 -2.6232 -2.6232 -2.5855 -2.5855 -0.9192 -0.9192 -0.8720 -0.8720 -0.7607 -0.7607 -0.5729 -0.5729 -0.2237 -0.2237 -0.1902 -0.1902 -0.1306 -0.1306 -0.0614 -0.0614 0.1662 0.1662 0.3523 0.3523 3.6488 3.6488 3.7550 3.7550 5.4237 5.4237 6.0557 6.0557 6.4096 6.4096 6.9643 6.9643 10.1264 10.1264 10.1924 10.1924 11.3874 11.3874 11.8535 11.8535 k = 0.2361 0.4090 0.3056 ( 4280 PWs) bands (ev): -32.8995 -32.8995 -14.1794 -14.1794 -13.8118 -13.8118 -13.7934 -13.7934 -2.6294 -2.6294 -2.5932 -2.5932 -0.9197 -0.9197 -0.8755 -0.8755 -0.7628 -0.7628 -0.5822 -0.5822 -0.2261 -0.2261 -0.1909 -0.1909 -0.1306 -0.1306 -0.0632 -0.0632 0.1508 0.1508 0.3380 0.3380 3.6742 3.6742 3.8048 3.8048 5.4946 5.4946 6.1184 6.1184 6.3950 6.3950 6.9623 6.9623 10.1299 10.1299 10.1959 10.1959 11.3554 11.3554 11.8006 11.8006 k = 0.2292 0.3969 0.3056 ( 4288 PWs) bands (ev): -32.8995 -32.8995 -14.1791 -14.1791 -13.8118 -13.8118 -13.7926 -13.7926 -2.6362 -2.6362 -2.6015 -2.6015 -0.9203 -0.9203 -0.8792 -0.8792 -0.7655 -0.7655 -0.5921 -0.5921 -0.2294 -0.2294 -0.1908 -0.1908 -0.1309 -0.1309 -0.0657 -0.0657 0.1361 0.1361 0.3228 0.3228 3.7012 3.7012 3.8608 3.8608 5.5680 5.5680 6.1821 6.1821 6.3831 6.3831 6.9572 6.9572 10.1356 10.1356 10.2013 10.2013 11.3256 11.3256 11.7456 11.7456 k = 0.2222 0.3849 0.3056 ( 4278 PWs) bands (ev): -32.8996 -32.8996 -14.1787 -14.1787 -13.8116 -13.8116 -13.7918 -13.7918 -2.6435 -2.6435 -2.6104 -2.6104 -0.9210 -0.9210 -0.8828 -0.8828 -0.7687 -0.7687 -0.6023 -0.6023 -0.2333 -0.2333 -0.1900 -0.1900 -0.1316 -0.1316 -0.0684 -0.0684 0.1227 0.1227 0.3070 0.3070 3.7298 3.7298 3.9228 3.9228 5.6436 5.6436 6.2451 6.2451 6.3754 6.3754 6.9492 6.9492 10.1436 10.1436 10.2086 10.2086 11.2979 11.2979 11.6890 11.6890 k = 0.2153 0.3729 0.3056 ( 4282 PWs) bands (ev): -32.8997 -32.8997 -14.1783 -14.1783 -13.8115 -13.8115 -13.7910 -13.7910 -2.6513 -2.6513 -2.6199 -2.6199 -0.9219 -0.9219 -0.8864 -0.8864 -0.7728 -0.7728 -0.6128 -0.6128 -0.2379 -0.2379 -0.1891 -0.1891 -0.1333 -0.1333 -0.0711 -0.0711 0.1106 0.1106 0.2905 0.2905 3.7595 3.7595 3.9908 3.9908 5.7213 5.7213 6.3017 6.3017 6.3774 6.3774 6.9387 6.9387 10.1540 10.1540 10.2176 10.2176 11.2713 11.2713 11.6308 11.6308 k = 0.2083 0.3608 0.3056 ( 4286 PWs) bands (ev): -32.8997 -32.8997 -14.1779 -14.1779 -13.8114 -13.8114 -13.7902 -13.7902 -2.6595 -2.6595 -2.6300 -2.6300 -0.9229 -0.9229 -0.8900 -0.8900 -0.7777 -0.7777 -0.6236 -0.6236 -0.2428 -0.2428 -0.1880 -0.1880 -0.1360 -0.1360 -0.0732 -0.0732 0.0998 0.0998 0.2736 0.2736 3.7901 3.7901 4.0644 4.0644 5.8007 5.8007 6.3319 6.3319 6.4087 6.4087 6.9259 6.9259 10.1669 10.1669 10.2282 10.2282 11.2447 11.2447 11.5713 11.5713 k = 0.2014 0.3488 0.3056 ( 4282 PWs) bands (ev): -32.8998 -32.8998 -14.1775 -14.1775 -13.8112 -13.8112 -13.7894 -13.7894 -2.6683 -2.6683 -2.6406 -2.6406 -0.9240 -0.9240 -0.8935 -0.8935 -0.7833 -0.7833 -0.6343 -0.6343 -0.2481 -0.2481 -0.1872 -0.1872 -0.1399 -0.1399 -0.0743 -0.0743 0.0906 0.0906 0.2566 0.2566 3.8213 3.8213 4.1436 4.1436 5.8817 5.8817 6.3387 6.3387 6.4659 6.4659 6.9113 6.9113 10.1825 10.1825 10.2404 10.2404 11.2168 11.2168 11.5107 11.5107 k = 0.1944 0.3368 0.3056 ( 4274 PWs) bands (ev): -32.8999 -32.8999 -14.1771 -14.1771 -13.8110 -13.8110 -13.7885 -13.7885 -2.6775 -2.6775 -2.6517 -2.6517 -0.9253 -0.9253 -0.8969 -0.8969 -0.7896 -0.7896 -0.6450 -0.6450 -0.2537 -0.2537 -0.1869 -0.1869 -0.1448 -0.1448 -0.0740 -0.0740 0.0827 0.0827 0.2394 0.2394 3.8527 3.8527 4.2281 4.2281 5.9642 5.9642 6.3420 6.3420 6.5287 6.5287 6.8956 6.8956 10.2008 10.2008 10.2543 10.2543 11.1862 11.1862 11.4491 11.4491 k = 0.1875 0.3248 0.3056 ( 4282 PWs) bands (ev): -32.8999 -32.8999 -14.1766 -14.1766 -13.8108 -13.8108 -13.7876 -13.7876 -2.6871 -2.6871 -2.6632 -2.6632 -0.9268 -0.9268 -0.9002 -0.9002 -0.7969 -0.7969 -0.6556 -0.6556 -0.2596 -0.2596 -0.1875 -0.1875 -0.1502 -0.1502 -0.0725 -0.0725 0.0759 0.0759 0.2223 0.2223 3.8840 3.8840 4.3177 4.3177 6.0478 6.0478 6.3468 6.3468 6.5909 6.5909 6.8799 6.8799 10.2216 10.2216 10.2699 10.2699 11.1518 11.1518 11.3867 11.3867 k = 0.1806 0.3127 0.3056 ( 4278 PWs) bands (ev): -32.9000 -32.9000 -14.1762 -14.1762 -13.8105 -13.8105 -13.7868 -13.7868 -2.6972 -2.6972 -2.6751 -2.6751 -0.9285 -0.9285 -0.9033 -0.9033 -0.8048 -0.8048 -0.6660 -0.6660 -0.2657 -0.2657 -0.1894 -0.1894 -0.1553 -0.1553 -0.0698 -0.0698 0.0701 0.0701 0.2056 0.2056 3.9148 3.9148 4.4122 4.4122 6.1324 6.1324 6.3546 6.3546 6.6491 6.6491 6.8663 6.8663 10.2448 10.2448 10.2874 10.2874 11.1137 11.1137 11.3237 11.3237 k = 0.1736 0.3007 0.3056 ( 4270 PWs) bands (ev): -32.9001 -32.9001 -14.1757 -14.1757 -13.8103 -13.8103 -13.7858 -13.7858 -2.7076 -2.7076 -2.6873 -2.6873 -0.9303 -0.9303 -0.9062 -0.9062 -0.8133 -0.8133 -0.6760 -0.6760 -0.2720 -0.2720 -0.1927 -0.1927 -0.1595 -0.1595 -0.0661 -0.0661 0.0651 0.0651 0.1893 0.1893 3.9448 3.9448 4.5114 4.5114 6.2177 6.2177 6.3660 6.3660 6.6981 6.6981 6.8599 6.8599 10.2701 10.2701 10.3068 10.3068 11.0727 11.0727 11.2602 11.2602 k = 0.1667 0.2887 0.3056 ( 4270 PWs) bands (ev): -32.9002 -32.9002 -14.1752 -14.1752 -13.8100 -13.8100 -13.7849 -13.7849 -2.7184 -2.7184 -2.6998 -2.6998 -0.9324 -0.9324 -0.9090 -0.9090 -0.8223 -0.8223 -0.6857 -0.6857 -0.2787 -0.2787 -0.1974 -0.1974 -0.1627 -0.1627 -0.0617 -0.0617 0.0606 0.0606 0.1735 0.1735 3.9736 3.9736 4.6149 4.6149 6.3032 6.3032 6.3813 6.3813 6.7276 6.7276 6.8706 6.8706 10.2965 10.2965 10.3286 10.3286 11.0302 11.0302 11.1965 11.1965 k = 0.1597 0.2766 0.3056 ( 4258 PWs) bands (ev): -32.9002 -32.9002 -14.1747 -14.1747 -13.8097 -13.8097 -13.7840 -13.7840 -2.7295 -2.7295 -2.7124 -2.7124 -0.9346 -0.9346 -0.9115 -0.9115 -0.8317 -0.8317 -0.6950 -0.6950 -0.2855 -0.2855 -0.2029 -0.2029 -0.1650 -0.1650 -0.0566 -0.0566 0.0566 0.0566 0.1586 0.1586 4.0010 4.0010 4.7225 4.7225 6.3850 6.3850 6.4047 6.4047 6.7325 6.7325 6.9034 6.9034 10.3224 10.3224 10.3535 10.3535 10.9882 10.9882 11.1330 11.1330 k = 0.1528 0.2646 0.3056 ( 4254 PWs) bands (ev): -32.9003 -32.9003 -14.1742 -14.1742 -13.8094 -13.8094 -13.7830 -13.7830 -2.7409 -2.7409 -2.7252 -2.7252 -0.9370 -0.9370 -0.9138 -0.9138 -0.8414 -0.8414 -0.7040 -0.7040 -0.2925 -0.2925 -0.2087 -0.2087 -0.1671 -0.1671 -0.0510 -0.0510 0.0527 0.0527 0.1446 0.1446 4.0267 4.0267 4.8338 4.8338 6.4206 6.4206 6.4784 6.4784 6.7226 6.7226 6.9489 6.9489 10.3454 10.3454 10.3819 10.3819 10.9491 10.9491 11.0702 11.0702 k = 0.1458 0.2526 0.3056 ( 4250 PWs) bands (ev): -32.9004 -32.9004 -14.1737 -14.1737 -13.8092 -13.8092 -13.7821 -13.7821 -2.7526 -2.7526 -2.7380 -2.7380 -0.9397 -0.9397 -0.9159 -0.9159 -0.8512 -0.8512 -0.7127 -0.7127 -0.2996 -0.2996 -0.2145 -0.2145 -0.1691 -0.1691 -0.0450 -0.0450 0.0489 0.0489 0.1318 0.1318 4.0505 4.0505 4.9486 4.9486 6.4480 6.4480 6.5635 6.5635 6.7074 6.7074 6.9979 6.9979 10.3631 10.3631 10.4132 10.4132 10.9159 10.9159 11.0093 11.0093 k = 0.1389 0.2406 0.3056 ( 4258 PWs) bands (ev): -32.9005 -32.9005 -14.1733 -14.1733 -13.8089 -13.8089 -13.7812 -13.7812 -2.7644 -2.7644 -2.7508 -2.7508 -0.9425 -0.9425 -0.9181 -0.9181 -0.8609 -0.8609 -0.7210 -0.7210 -0.3068 -0.3068 -0.2201 -0.2201 -0.1713 -0.1713 -0.0388 -0.0388 0.0450 0.0450 0.1202 0.1202 4.0722 4.0722 5.0664 5.0664 6.4786 6.4786 6.6459 6.6459 6.6937 6.6937 7.0466 7.0466 10.3729 10.3729 10.4455 10.4455 10.8909 10.8910 10.9528 10.9528 k = 0.1319 0.2285 0.3056 ( 4270 PWs) bands (ev): -32.9006 -32.9006 -14.1728 -14.1728 -13.8087 -13.8087 -13.7802 -13.7802 -2.7763 -2.7763 -2.7634 -2.7634 -0.9455 -0.9455 -0.9204 -0.9204 -0.8702 -0.8702 -0.7291 -0.7291 -0.3139 -0.3139 -0.2253 -0.2253 -0.1739 -0.1739 -0.0325 -0.0325 0.0410 0.0410 0.1098 0.1098 4.0918 4.0918 5.1868 5.1868 6.5118 6.5118 6.6691 6.6691 6.7398 6.7398 7.0933 7.0933 10.3716 10.3716 10.4757 10.4757 10.8697 10.8697 10.9117 10.9117 k = 0.1250 0.2165 0.3056 ( 4266 PWs) bands (ev): -32.9007 -32.9007 -14.1724 -14.1724 -13.8084 -13.8084 -13.7793 -13.7793 -2.7883 -2.7883 -2.7758 -2.7758 -0.9484 -0.9484 -0.9229 -0.9229 -0.8786 -0.8786 -0.7368 -0.7368 -0.3208 -0.3208 -0.2300 -0.2300 -0.1767 -0.1767 -0.0259 -0.0259 0.0369 0.0369 0.1009 0.1009 4.1092 4.1092 5.3091 5.3091 6.5457 6.5457 6.6595 6.6595 6.8225 6.8225 7.1373 7.1373 10.3568 10.3568 10.4994 10.4994 10.8364 10.8364 10.9088 10.9088 k = 0.1181 0.2045 0.3056 ( 4268 PWs) bands (ev): -32.9007 -32.9007 -14.1719 -14.1719 -13.8082 -13.8082 -13.7784 -13.7784 -2.8003 -2.8003 -2.7880 -2.7880 -0.9514 -0.9514 -0.9259 -0.9259 -0.8861 -0.8861 -0.7443 -0.7443 -0.3275 -0.3275 -0.2343 -0.2343 -0.1799 -0.1799 -0.0195 -0.0195 0.0328 0.0328 0.0934 0.0934 4.1244 4.1244 5.4325 5.4325 6.5736 6.5736 6.6602 6.6602 6.9053 6.9053 7.1783 7.1783 10.3279 10.3279 10.5095 10.5095 10.8084 10.8084 10.9337 10.9337 k = 0.1111 0.1925 0.3056 ( 4264 PWs) bands (ev): -32.9008 -32.9008 -14.1715 -14.1715 -13.8079 -13.8079 -13.7774 -13.7774 -2.8122 -2.8122 -2.7998 -2.7998 -0.9543 -0.9543 -0.9296 -0.9296 -0.8921 -0.8921 -0.7515 -0.7515 -0.3339 -0.3339 -0.2382 -0.2382 -0.1834 -0.1834 -0.0131 -0.0131 0.0288 0.0288 0.0871 0.0871 4.1375 4.1375 5.5561 5.5561 6.5861 6.5861 6.6828 6.6828 6.9868 6.9868 7.2161 7.2161 10.2863 10.2863 10.4987 10.4987 10.8002 10.8002 10.9767 10.9767 k = 0.1042 0.1804 0.3056 ( 4264 PWs) bands (ev): -32.9009 -32.9009 -14.1711 -14.1711 -13.8077 -13.8077 -13.7765 -13.7765 -2.8239 -2.8239 -2.8113 -2.8113 -0.9572 -0.9572 -0.9343 -0.9343 -0.8966 -0.8966 -0.7586 -0.7586 -0.3401 -0.3401 -0.2418 -0.2418 -0.1871 -0.1871 -0.0070 -0.0070 0.0251 0.0251 0.0818 0.0818 4.1486 4.1486 5.6781 5.6781 6.5882 6.5882 6.7237 6.7237 7.0664 7.0664 7.2507 7.2507 10.2341 10.2341 10.4673 10.4673 10.8127 10.8127 11.0335 11.0335 k = 0.0972 0.1684 0.3056 ( 4264 PWs) bands (ev): -32.9010 -32.9010 -14.1707 -14.1707 -13.8075 -13.8075 -13.7756 -13.7756 -2.8352 -2.8352 -2.8223 -2.8223 -0.9600 -0.9600 -0.9398 -0.9398 -0.8995 -0.8995 -0.7654 -0.7654 -0.3458 -0.3458 -0.2452 -0.2452 -0.1911 -0.1911 -0.0016 -0.0016 0.0220 0.0220 0.0774 0.0774 4.1577 4.1577 5.7962 5.7962 6.5915 6.5915 6.7733 6.7733 7.1436 7.1436 7.2822 7.2822 10.1728 10.1728 10.4218 10.4218 10.8386 10.8386 11.1009 11.1009 k = 0.0903 0.1564 0.3056 ( 4252 PWs) bands (ev): -32.9010 -32.9010 -14.1703 -14.1703 -13.8073 -13.8073 -13.7748 -13.7748 -2.8463 -2.8463 -2.8329 -2.8329 -0.9626 -0.9626 -0.9457 -0.9457 -0.9012 -0.9012 -0.7719 -0.7719 -0.3512 -0.3512 -0.2482 -0.2482 -0.1950 -0.1950 0.0027 0.0027 0.0204 0.0204 0.0738 0.0738 4.1652 4.1652 5.9068 5.9068 6.6029 6.6029 6.8274 6.8274 7.2176 7.2176 7.3110 7.3110 10.1036 10.1036 10.3690 10.3690 10.8705 10.8705 11.1757 11.1757 k = 0.0833 0.1443 0.3056 ( 4252 PWs) bands (ev): -32.9011 -32.9011 -14.1699 -14.1699 -13.8071 -13.8071 -13.7739 -13.7739 -2.8568 -2.8568 -2.8429 -2.8429 -0.9653 -0.9653 -0.9518 -0.9518 -0.9019 -0.9019 -0.7782 -0.7782 -0.3562 -0.3562 -0.2512 -0.2512 -0.1991 -0.1991 0.0046 0.0046 0.0211 0.0211 0.0708 0.0708 4.1710 4.1710 6.0049 6.0049 6.6283 6.6283 6.8841 6.8841 7.2871 7.2871 7.3382 7.3382 10.0269 10.0269 10.3129 10.3129 10.9030 10.9030 11.2531 11.2531 k = 0.0764 0.1323 0.3056 ( 4256 PWs) bands (ev): -32.9012 -32.9012 -14.1696 -14.1696 -13.8070 -13.8070 -13.7732 -13.7732 -2.8668 -2.8668 -2.8524 -2.8524 -0.9678 -0.9678 -0.9577 -0.9577 -0.9020 -0.9020 -0.7843 -0.7843 -0.3608 -0.3608 -0.2540 -0.2540 -0.2031 -0.2031 0.0042 0.0042 0.0241 0.0241 0.0682 0.0682 4.1755 4.1755 6.0850 6.0850 6.6735 6.6735 6.9424 6.9424 7.3440 7.3440 7.3716 7.3716 9.9430 9.9430 10.2560 10.2560 10.9326 10.9326 11.3151 11.3152 k = 0.0694 0.1203 0.3056 ( 4256 PWs) bands (ev): -32.9012 -32.9012 -14.1693 -14.1693 -13.8068 -13.8068 -13.7724 -13.7724 -2.8762 -2.8762 -2.8612 -2.8612 -0.9702 -0.9702 -0.9632 -0.9632 -0.9015 -0.9015 -0.7901 -0.7901 -0.3649 -0.3649 -0.2567 -0.2567 -0.2068 -0.2068 0.0028 0.0028 0.0283 0.0283 0.0660 0.0660 4.1789 4.1789 6.1435 6.1435 6.7415 6.7415 7.0013 7.0013 7.3735 7.3735 7.4260 7.4260 9.8521 9.8521 10.1999 10.1999 10.9565 10.9565 11.3062 11.3063 k = 0.0625 0.1083 0.3056 ( 4260 PWs) bands (ev): -32.9013 -32.9013 -14.1690 -14.1690 -13.8067 -13.8067 -13.7718 -13.7718 -2.8849 -2.8849 -2.8694 -2.8694 -0.9727 -0.9727 -0.9682 -0.9682 -0.9007 -0.9007 -0.7957 -0.7957 -0.3687 -0.3687 -0.2593 -0.2593 -0.2103 -0.2103 0.0012 0.0012 0.0327 0.0327 0.0642 0.0642 4.1813 4.1813 6.1816 6.1816 6.8306 6.8306 7.0598 7.0598 7.3940 7.3940 7.4830 7.4830 9.7546 9.7546 10.1457 10.1457 10.9730 10.9730 11.2469 11.2469 k = 0.0556 0.0962 0.3056 ( 4264 PWs) bands (ev): -32.9013 -32.9013 -14.1687 -14.1687 -13.8066 -13.8066 -13.7711 -13.7711 -2.8928 -2.8928 -2.8768 -2.8768 -0.9755 -0.9755 -0.9722 -0.9722 -0.8997 -0.8997 -0.8009 -0.8009 -0.3721 -0.3721 -0.2618 -0.2618 -0.2135 -0.2135 -0.0004 -0.0004 0.0368 0.0368 0.0626 0.0626 4.1828 4.1828 6.2041 6.2041 6.9346 6.9346 7.1168 7.1168 7.4123 7.4123 7.5359 7.5359 9.6512 9.6512 10.0944 10.0944 10.9813 10.9813 11.1827 11.1827 k = 0.0486 0.0842 0.3056 ( 4256 PWs) bands (ev): -32.9014 -32.9014 -14.1685 -14.1685 -13.8065 -13.8065 -13.7706 -13.7706 -2.8999 -2.8999 -2.8835 -2.8835 -0.9789 -0.9789 -0.9747 -0.9747 -0.8984 -0.8984 -0.8057 -0.8057 -0.3750 -0.3750 -0.2640 -0.2640 -0.2163 -0.2163 -0.0017 -0.0017 0.0408 0.0408 0.0613 0.0613 4.1838 4.1838 6.2162 6.2162 7.0462 7.0462 7.1715 7.1715 7.4299 7.4299 7.5837 7.5837 9.5434 9.5434 10.0468 10.0468 10.9819 10.9819 11.1235 11.1235 k = 0.0417 0.0722 0.3056 ( 4256 PWs) bands (ev): -32.9014 -32.9014 -14.1683 -14.1683 -13.8064 -13.8064 -13.7701 -13.7701 -2.9062 -2.9062 -2.8894 -2.8894 -0.9824 -0.9824 -0.9766 -0.9766 -0.8970 -0.8970 -0.8102 -0.8102 -0.3775 -0.3775 -0.2660 -0.2660 -0.2187 -0.2187 -0.0028 -0.0028 0.0442 0.0442 0.0601 0.0601 4.1843 4.1843 6.2221 6.2221 7.1567 7.1567 7.2244 7.2244 7.4484 7.4484 7.6264 7.6264 9.4329 9.4329 10.0036 10.0036 10.9759 10.9759 11.0720 11.0720 k = 0.0347 0.0601 0.3056 ( 4256 PWs) bands (ev): -32.9014 -32.9014 -14.1681 -14.1681 -13.8063 -13.8063 -13.7696 -13.7696 -2.9116 -2.9116 -2.8945 -2.8945 -0.9854 -0.9854 -0.9780 -0.9780 -0.8956 -0.8956 -0.8142 -0.8142 -0.3797 -0.3797 -0.2679 -0.2679 -0.2207 -0.2207 -0.0038 -0.0038 0.0472 0.0472 0.0592 0.0592 4.1844 4.1844 6.2244 6.2244 7.2434 7.2434 7.2890 7.2890 7.4699 7.4699 7.6646 7.6646 9.3225 9.3225 9.9657 9.9657 10.9651 10.9651 11.0294 11.0294 k = 0.0278 0.0481 0.3056 ( 4248 PWs) bands (ev): -32.9015 -32.9015 -14.1679 -14.1679 -13.8062 -13.8062 -13.7692 -13.7692 -2.9160 -2.9160 -2.8987 -2.8987 -0.9879 -0.9879 -0.9791 -0.9791 -0.8942 -0.8942 -0.8176 -0.8176 -0.3814 -0.3814 -0.2694 -0.2694 -0.2223 -0.2223 -0.0045 -0.0045 0.0498 0.0498 0.0586 0.0586 4.1844 4.1844 6.2248 6.2248 7.2881 7.2881 7.3714 7.3714 7.4986 7.4986 7.7000 7.7000 9.2161 9.2161 9.9337 9.9337 10.9509 10.9509 10.9964 10.9964 k = 0.0208 0.0361 0.3056 ( 4252 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8062 -13.8062 -13.7690 -13.7690 -2.9195 -2.9195 -2.9019 -2.9019 -0.9899 -0.9899 -0.9800 -0.9800 -0.8931 -0.8931 -0.8204 -0.8204 -0.3828 -0.3828 -0.2707 -0.2707 -0.2236 -0.2236 -0.0050 -0.0050 0.0516 0.0516 0.0581 0.0581 4.1843 4.1843 6.2243 6.2243 7.3164 7.3164 7.4323 7.4323 7.5385 7.5385 7.7352 7.7352 9.1191 9.1191 9.9081 9.9081 10.9355 10.9355 10.9731 10.9731 k = 0.0139 0.0241 0.3056 ( 4248 PWs) bands (ev): -32.9015 -32.9015 -14.1678 -14.1678 -13.8062 -13.8062 -13.7688 -13.7688 -2.9220 -2.9220 -2.9043 -2.9043 -0.9913 -0.9913 -0.9806 -0.9806 -0.8921 -0.8921 -0.8225 -0.8225 -0.3837 -0.3837 -0.2717 -0.2717 -0.2245 -0.2245 -0.0054 -0.0054 0.0529 0.0529 0.0579 0.0579 4.1841 4.1841 6.2235 6.2235 7.3348 7.3348 7.4660 7.4660 7.5794 7.5794 7.7712 7.7712 9.0391 9.0391 9.8895 9.8895 10.9218 10.9218 10.9581 10.9581 k = 0.0069 0.0120 0.3056 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9235 -2.9235 -2.9057 -2.9057 -0.9922 -0.9922 -0.9809 -0.9809 -0.8914 -0.8914 -0.8239 -0.8239 -0.3843 -0.3843 -0.2721 -0.2721 -0.2249 -0.2249 -0.0055 -0.0055 0.0536 0.0536 0.0578 0.0578 4.1840 4.1840 6.2229 6.2229 7.3451 7.3451 7.4832 7.4832 7.6055 7.6055 7.8012 7.8012 8.9851 8.9851 9.8782 9.8782 10.9125 10.9125 10.9497 10.9497 k = 0.0000 0.0000 0.3056 ( 4242 PWs) bands (ev): -32.9015 -32.9015 -14.1677 -14.1677 -13.8061 -13.8061 -13.7686 -13.7686 -2.9240 -2.9240 -2.9062 -2.9062 -0.9925 -0.9925 -0.9810 -0.9810 -0.8912 -0.8912 -0.8243 -0.8243 -0.3845 -0.3845 -0.2723 -0.2723 -0.2251 -0.2251 -0.0056 -0.0056 0.0538 0.0538 0.0578 0.0578 4.1840 4.1840 6.2227 6.2227 7.3484 7.3484 7.4887 7.4887 7.6139 7.6139 7.8132 7.8132 8.9658 8.9658 9.8745 9.8745 10.9093 10.9093 10.9470 10.9470 k = 0.5000 0.2887 0.3056 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6283 -2.6283 -2.5680 -2.5680 -0.8974 -0.8974 -0.8882 -0.8882 -0.7425 -0.7425 -0.5305 -0.5305 -0.2475 -0.2475 -0.2287 -0.2287 -0.1388 -0.1388 -0.0140 -0.0140 0.2433 0.2433 0.3174 0.3174 3.3129 3.3129 3.4591 3.4591 5.9485 5.9485 6.0683 6.0683 7.0675 7.0675 7.2659 7.2659 9.6796 9.6796 9.9844 9.9844 10.0678 10.0678 10.6627 10.6627 k = 0.5000 0.2887 0.2917 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6283 -2.6283 -2.5682 -2.5682 -0.8975 -0.8975 -0.8881 -0.8881 -0.7424 -0.7424 -0.5305 -0.5305 -0.2476 -0.2476 -0.2286 -0.2286 -0.1387 -0.1387 -0.0140 -0.0140 0.2433 0.2433 0.3174 0.3174 3.3094 3.3094 3.4651 3.4651 5.9445 5.9445 6.0685 6.0685 7.0660 7.0660 7.2616 7.2616 9.6740 9.6740 9.9772 9.9772 10.0853 10.0853 10.6726 10.6726 k = 0.5000 0.2887 0.2778 ( 4268 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6284 -2.6284 -2.5686 -2.5686 -0.8974 -0.8974 -0.8880 -0.8880 -0.7422 -0.7422 -0.5304 -0.5304 -0.2476 -0.2476 -0.2284 -0.2284 -0.1385 -0.1385 -0.0138 -0.0138 0.2436 0.2436 0.3172 0.3172 3.3006 3.3006 3.4814 3.4814 5.9326 5.9326 6.0690 6.0690 7.0615 7.0615 7.2490 7.2490 9.6605 9.6605 9.9573 9.9573 10.1337 10.1337 10.7008 10.7008 k = 0.5000 0.2887 0.2639 ( 4266 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6285 -2.6285 -2.5693 -2.5693 -0.8975 -0.8975 -0.8879 -0.8879 -0.7418 -0.7418 -0.5302 -0.5302 -0.2476 -0.2476 -0.2281 -0.2281 -0.1382 -0.1382 -0.0136 -0.0136 0.2440 0.2440 0.3170 0.3170 3.2891 3.2891 3.5054 3.5054 5.9131 5.9131 6.0699 6.0699 7.0532 7.0532 7.2291 7.2291 9.6457 9.6457 9.9287 9.9287 10.2054 10.2054 10.7438 10.7438 k = 0.5000 0.2887 0.2500 ( 4270 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6287 -2.6287 -2.5702 -2.5702 -0.8975 -0.8975 -0.8879 -0.8879 -0.7414 -0.7414 -0.5300 -0.5300 -0.2477 -0.2477 -0.2277 -0.2277 -0.1379 -0.1379 -0.0133 -0.0133 0.2445 0.2445 0.3167 0.3167 3.2772 3.2772 3.5346 3.5346 5.8865 5.8865 6.0714 6.0714 7.0395 7.0395 7.2040 7.2040 9.6339 9.6339 9.8958 9.8958 10.2940 10.2940 10.7972 10.7972 k = 0.5000 0.2887 0.2362 ( 4262 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6290 -2.6290 -2.5714 -2.5714 -0.8975 -0.8975 -0.8878 -0.8878 -0.7407 -0.7407 -0.5297 -0.5297 -0.2477 -0.2477 -0.2271 -0.2271 -0.1372 -0.1372 -0.0129 -0.0129 0.2452 0.2452 0.3163 0.3163 3.2661 3.2661 3.5677 3.5677 5.8537 5.8537 6.0732 6.0732 7.0182 7.0182 7.1769 7.1769 9.6263 9.6263 9.8637 9.8637 10.3950 10.3950 10.8574 10.8574 k = 0.5000 0.2887 0.2223 ( 4262 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6292 -2.6292 -2.5728 -2.5728 -0.8975 -0.8975 -0.8877 -0.8877 -0.7400 -0.7400 -0.5293 -0.5293 -0.2477 -0.2477 -0.2266 -0.2266 -0.1365 -0.1365 -0.0125 -0.0125 0.2459 0.2459 0.3158 0.3158 3.2564 3.2564 3.6038 3.6038 5.8156 5.8156 6.0756 6.0756 6.9864 6.9864 7.1516 7.1516 9.6206 9.6206 9.8379 9.8379 10.5050 10.5050 10.9213 10.9213 k = 0.5000 0.2887 0.2084 ( 4254 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6295 -2.6295 -2.5744 -2.5744 -0.8974 -0.8974 -0.8875 -0.8875 -0.7392 -0.7392 -0.5289 -0.5289 -0.2477 -0.2477 -0.2259 -0.2259 -0.1358 -0.1358 -0.0120 -0.0120 0.2469 0.2469 0.3152 0.3152 3.2484 3.2484 3.6423 3.6423 5.7732 5.7732 6.0783 6.0783 6.9430 6.9430 7.1305 7.1305 9.6121 9.6121 9.8249 9.8249 10.6215 10.6215 10.9871 10.9871 k = 0.5000 0.2887 0.1945 ( 4256 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6298 -2.6298 -2.5762 -2.5762 -0.8974 -0.8974 -0.8875 -0.8875 -0.7384 -0.7384 -0.5285 -0.5285 -0.2476 -0.2476 -0.2253 -0.2253 -0.1349 -0.1349 -0.0115 -0.0115 0.2479 0.2479 0.3145 0.3145 3.2424 3.2424 3.6826 3.6826 5.7275 5.7275 6.0814 6.0814 6.8890 6.8890 7.1139 7.1139 9.5963 9.5963 9.8297 9.8297 10.7410 10.7410 11.0539 11.0539 k = 0.5000 0.2887 0.1806 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6301 -2.6301 -2.5781 -2.5781 -0.8974 -0.8974 -0.8874 -0.8874 -0.7375 -0.7375 -0.5280 -0.5280 -0.2475 -0.2475 -0.2248 -0.2248 -0.1340 -0.1340 -0.0110 -0.0110 0.2490 0.2490 0.3136 0.3136 3.2382 3.2382 3.7244 3.7244 5.6797 5.6797 6.0847 6.0847 6.8271 6.8271 7.1005 7.1005 9.5729 9.5729 9.8526 9.8526 10.8586 10.8586 11.1235 11.1235 k = 0.5000 0.2887 0.1667 ( 4264 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6304 -2.6304 -2.5801 -2.5801 -0.8974 -0.8974 -0.8873 -0.8873 -0.7366 -0.7366 -0.5276 -0.5276 -0.2475 -0.2475 -0.2242 -0.2242 -0.1330 -0.1330 -0.0105 -0.0105 0.2502 0.2502 0.3128 0.3128 3.2358 3.2358 3.7672 3.7672 5.6308 5.6308 6.0883 6.0883 6.7599 6.7599 7.0891 7.0891 9.5448 9.5448 9.8900 9.8900 10.9652 10.9652 11.2019 11.2019 k = 0.5000 0.2887 0.1528 ( 4266 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6307 -2.6307 -2.5822 -2.5822 -0.8974 -0.8974 -0.8872 -0.8872 -0.7357 -0.7357 -0.5271 -0.5271 -0.2473 -0.2473 -0.2236 -0.2236 -0.1321 -0.1321 -0.0100 -0.0100 0.2515 0.2515 0.3119 0.3119 3.2352 3.2352 3.8106 3.8106 5.5817 5.5817 6.0920 6.0920 6.6897 6.6897 7.0792 7.0792 9.5150 9.5150 9.9383 9.9383 11.0486 11.0486 11.2989 11.2989 k = 0.5000 0.2887 0.1389 ( 4270 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6309 -2.6309 -2.5843 -2.5843 -0.8974 -0.8974 -0.8872 -0.8872 -0.7348 -0.7348 -0.5267 -0.5267 -0.2471 -0.2471 -0.2232 -0.2232 -0.1311 -0.1311 -0.0095 -0.0095 0.2528 0.2528 0.3109 0.3109 3.2360 3.2360 3.8539 3.8539 5.5336 5.5336 6.0957 6.0957 6.6183 6.6183 7.0701 7.0701 9.4855 9.4855 9.9946 9.9946 11.1035 11.1035 11.4178 11.4178 k = 0.5000 0.2887 0.1250 ( 4266 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6311 -2.6311 -2.5864 -2.5864 -0.8973 -0.8973 -0.8871 -0.8871 -0.7339 -0.7339 -0.5262 -0.5262 -0.2469 -0.2469 -0.2227 -0.2227 -0.1300 -0.1300 -0.0089 -0.0089 0.2542 0.2542 0.3099 0.3099 3.2381 3.2381 3.8966 3.8966 5.4872 5.4872 6.0995 6.0995 6.5474 6.5474 7.0619 7.0619 9.4575 9.4575 10.0568 10.0568 11.1347 11.1347 11.5522 11.5522 k = 0.5000 0.2887 0.1111 ( 4248 PWs) bands (ev): -32.8993 -32.8993 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6312 -2.6312 -2.5885 -2.5885 -0.8972 -0.8972 -0.8869 -0.8869 -0.7329 -0.7329 -0.5257 -0.5257 -0.2466 -0.2466 -0.2222 -0.2222 -0.1289 -0.1289 -0.0084 -0.0084 0.2557 0.2557 0.3090 0.3090 3.2412 3.2412 3.9380 3.9380 5.4434 5.4434 6.1031 6.1031 6.4784 6.4784 7.0543 7.0543 9.4316 9.4316 10.1230 10.1230 11.1481 11.1481 11.6952 11.6952 k = 0.5000 0.2887 0.0972 ( 4248 PWs) bands (ev): -32.8993 -32.8993 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6313 -2.6313 -2.5904 -2.5904 -0.8971 -0.8971 -0.8867 -0.8867 -0.7321 -0.7321 -0.5253 -0.5253 -0.2464 -0.2464 -0.2218 -0.2218 -0.1279 -0.1279 -0.0081 -0.0081 0.2570 0.2570 0.3080 0.3080 3.2450 3.2450 3.9775 3.9775 5.4030 5.4030 6.1066 6.1066 6.4129 6.4129 7.0474 7.0474 9.4082 9.4082 10.1919 10.1919 11.1473 11.1473 11.8425 11.8425 k = 0.5000 0.2887 0.0833 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6313 -2.6313 -2.5923 -2.5923 -0.8971 -0.8971 -0.8868 -0.8868 -0.7314 -0.7314 -0.5250 -0.5250 -0.2462 -0.2462 -0.2216 -0.2216 -0.1271 -0.1271 -0.0078 -0.0078 0.2582 0.2582 0.3069 0.3069 3.2492 3.2492 4.0142 4.0142 5.3667 5.3667 6.1097 6.1097 6.3521 6.3521 7.0412 7.0412 9.3876 9.3876 10.2619 10.2619 11.1347 11.1347 11.9907 11.9907 k = 0.5000 0.2887 0.0695 ( 4254 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8158 -13.8158 -13.7903 -13.7903 -2.6313 -2.6313 -2.5939 -2.5939 -0.8970 -0.8970 -0.8867 -0.8867 -0.7308 -0.7308 -0.5246 -0.5246 -0.2459 -0.2459 -0.2213 -0.2213 -0.1263 -0.1263 -0.0074 -0.0074 0.2595 0.2595 0.3060 0.3060 3.2535 3.2535 4.0472 4.0472 5.3352 5.3352 6.1126 6.1126 6.2976 6.2976 7.0358 7.0358 9.3701 9.3701 10.3314 10.3314 11.1126 11.1126 12.1360 12.1360 k = 0.5000 0.2887 0.0556 ( 4258 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6313 -2.6313 -2.5954 -2.5954 -0.8970 -0.8970 -0.8867 -0.8867 -0.7303 -0.7303 -0.5243 -0.5243 -0.2457 -0.2457 -0.2211 -0.2211 -0.1256 -0.1256 -0.0072 -0.0072 0.2605 0.2605 0.3051 0.3051 3.2576 3.2576 4.0758 4.0758 5.3088 5.3088 6.1150 6.1150 6.2507 6.2507 7.0313 7.0313 9.3556 9.3556 10.3983 10.3983 11.0837 11.0837 12.2655 12.2659 k = 0.5000 0.2887 0.0417 ( 4272 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6312 -2.6312 -2.5966 -2.5966 -0.8971 -0.8971 -0.8867 -0.8867 -0.7299 -0.7299 -0.5242 -0.5242 -0.2457 -0.2457 -0.2210 -0.2210 -0.1251 -0.1251 -0.0071 -0.0071 0.2613 0.2613 0.3044 0.3044 3.2610 3.2610 4.0990 4.0990 5.2880 5.2880 6.1170 6.1170 6.2125 6.2125 7.0277 7.0277 9.3443 9.3443 10.4597 10.4597 11.0511 11.0511 12.3121 12.3268 k = 0.5000 0.2887 0.0278 ( 4266 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6312 -2.6312 -2.5974 -2.5974 -0.8971 -0.8971 -0.8866 -0.8866 -0.7296 -0.7296 -0.5240 -0.5240 -0.2456 -0.2456 -0.2209 -0.2209 -0.1247 -0.1247 -0.0069 -0.0069 0.2620 0.2620 0.3039 0.3039 3.2637 3.2637 4.1162 4.1162 5.2731 5.2731 6.1185 6.1185 6.1843 6.1843 7.0251 7.0251 9.3362 9.3362 10.5115 10.5115 11.0196 11.0196 12.3170 12.3308 k = 0.5000 0.2887 0.0139 ( 4262 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6311 -2.6311 -2.5979 -2.5979 -0.8971 -0.8971 -0.8866 -0.8866 -0.7293 -0.7293 -0.5239 -0.5239 -0.2455 -0.2455 -0.2208 -0.2208 -0.1245 -0.1245 -0.0068 -0.0068 0.2624 0.2624 0.3036 0.3036 3.2654 3.2654 4.1268 4.1268 5.2640 5.2640 6.1195 6.1195 6.1669 6.1669 7.0235 7.0235 9.3313 9.3313 10.5475 10.5475 10.9957 10.9957 12.3222 12.3358 k = 0.5000 0.2887-0.0000 ( 4260 PWs) bands (ev): -32.8994 -32.8994 -14.1803 -14.1803 -13.8159 -13.8159 -13.7903 -13.7903 -2.6311 -2.6311 -2.5981 -2.5981 -0.8970 -0.8970 -0.8866 -0.8866 -0.7292 -0.7292 -0.5239 -0.5239 -0.2454 -0.2454 -0.2207 -0.2207 -0.1244 -0.1244 -0.0068 -0.0068 0.2626 0.2626 0.3036 0.3036 3.2660 3.2660 4.1303 4.1303 5.2610 5.2610 6.1198 6.1198 6.1611 6.1611 7.0230 7.0230 9.3297 9.3297 10.5607 10.5607 10.9865 10.9865 12.3381 12.3447 k = 0.3333 0.5774-0.0000 ( 4281 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6007 -2.6007 -2.5575 -2.5575 -0.9198 -0.9198 -0.8467 -0.8467 -0.7529 -0.7529 -0.4999 -0.4999 -0.2236 -0.2236 -0.1437 -0.1437 -0.1120 -0.1120 -0.0765 -0.0765 0.2993 0.2993 0.4536 0.4536 3.7859 3.7859 3.8609 3.8609 4.4185 4.4185 5.8844 5.8844 5.8910 5.8910 6.3462 6.3462 10.6657 10.6657 10.9397 10.9397 10.9868 10.9868 11.9303 11.9304 k = 0.3333 0.5774 0.0139 ( 4296 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6007 -2.6007 -2.5574 -2.5574 -0.9199 -0.9199 -0.8467 -0.8467 -0.7531 -0.7531 -0.5001 -0.5001 -0.2237 -0.2237 -0.1439 -0.1439 -0.1121 -0.1121 -0.0766 -0.0766 0.2991 0.2991 0.4536 0.4536 3.7841 3.7841 3.8590 3.8590 4.4200 4.4200 5.8884 5.8884 5.8951 5.8951 6.3430 6.3430 10.6701 10.6701 10.9366 10.9366 10.9835 10.9835 11.9314 11.9314 k = 0.3333 0.5774 0.0278 ( 4290 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6005 -2.6005 -2.5572 -2.5572 -0.9198 -0.9198 -0.8467 -0.8467 -0.7532 -0.7532 -0.5003 -0.5003 -0.2236 -0.2236 -0.1440 -0.1440 -0.1123 -0.1123 -0.0766 -0.0766 0.2990 0.2990 0.4536 0.4536 3.7787 3.7787 3.8534 3.8534 4.4246 4.4246 5.9005 5.9005 5.9072 5.9072 6.3338 6.3338 10.6832 10.6832 10.9275 10.9275 10.9737 10.9737 11.9346 11.9346 k = 0.3333 0.5774 0.0417 ( 4284 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.6001 -2.6001 -2.5568 -2.5568 -0.9197 -0.9197 -0.8466 -0.8466 -0.7533 -0.7533 -0.5006 -0.5006 -0.2236 -0.2236 -0.1442 -0.1442 -0.1126 -0.1126 -0.0766 -0.0766 0.2987 0.2987 0.4535 0.4535 3.7701 3.7701 3.8442 3.8442 4.4323 4.4323 5.9204 5.9204 5.9269 5.9269 6.3186 6.3186 10.7048 10.7048 10.9125 10.9125 10.9576 10.9576 11.9397 11.9398 k = 0.3333 0.5774 0.0556 ( 4296 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5996 -2.5996 -2.5562 -2.5562 -0.9197 -0.9197 -0.8466 -0.8466 -0.7537 -0.7537 -0.5013 -0.5013 -0.2237 -0.2237 -0.1447 -0.1447 -0.1132 -0.1132 -0.0767 -0.0767 0.2983 0.2983 0.4534 0.4534 3.7584 3.7584 3.8318 3.8318 4.4431 4.4431 5.9475 5.9475 5.9536 5.9536 6.2981 6.2981 10.7345 10.7345 10.8917 10.8917 10.9354 10.9354 11.9466 11.9466 k = 0.3333 0.5774 0.0695 ( 4296 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5989 -2.5989 -2.5556 -2.5556 -0.9197 -0.9197 -0.8466 -0.8466 -0.7540 -0.7540 -0.5019 -0.5019 -0.2237 -0.2237 -0.1452 -0.1452 -0.1138 -0.1138 -0.0768 -0.0768 0.2978 0.2978 0.4532 0.4532 3.7440 3.7440 3.8168 3.8168 4.4567 4.4567 5.9814 5.9814 5.9863 5.9863 6.2729 6.2729 10.7718 10.7718 10.8654 10.8654 10.9072 10.9072 11.9550 11.9552 k = 0.3333 0.5774 0.0833 ( 4290 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5982 -2.5982 -2.5548 -2.5548 -0.9195 -0.9195 -0.8464 -0.8464 -0.7543 -0.7543 -0.5027 -0.5027 -0.2236 -0.2236 -0.1456 -0.1456 -0.1144 -0.1144 -0.0769 -0.0769 0.2972 0.2972 0.4531 0.4531 3.7276 3.7276 3.7994 3.7994 4.4733 4.4733 6.0213 6.0213 6.0230 6.0230 6.2448 6.2448 10.8159 10.8159 10.8338 10.8338 10.8736 10.8736 11.9645 11.9645 k = 0.3333 0.5774 0.0972 ( 4290 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5973 -2.5973 -2.5539 -2.5539 -0.9194 -0.9194 -0.8463 -0.8463 -0.7548 -0.7548 -0.5036 -0.5036 -0.2236 -0.2236 -0.1463 -0.1463 -0.1152 -0.1152 -0.0770 -0.0770 0.2965 0.2965 0.4529 0.4529 3.7094 3.7094 3.7804 3.7804 4.4927 4.4927 6.0596 6.0596 6.0665 6.0665 6.2176 6.2176 10.7973 10.7973 10.8342 10.8342 10.8670 10.8670 11.9749 11.9750 k = 0.3333 0.5774 0.1111 ( 4290 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5964 -2.5964 -2.5529 -2.5529 -0.9193 -0.9193 -0.8462 -0.8462 -0.7552 -0.7552 -0.5046 -0.5046 -0.2236 -0.2236 -0.1470 -0.1470 -0.1161 -0.1161 -0.0771 -0.0771 0.2958 0.2958 0.4527 0.4527 3.6901 3.6901 3.7602 3.7602 4.5147 4.5147 6.0830 6.0830 6.1161 6.1161 6.2041 6.2041 10.7564 10.7564 10.7909 10.7909 10.9225 10.9225 11.9859 11.9859 k = 0.3333 0.5774 0.1250 ( 4278 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.5954 -2.5954 -2.5518 -2.5518 -0.9191 -0.9191 -0.8459 -0.8459 -0.7557 -0.7557 -0.5056 -0.5056 -0.2235 -0.2235 -0.1477 -0.1477 -0.1170 -0.1170 -0.0771 -0.0771 0.2951 0.2951 0.4526 0.4526 3.6702 3.6702 3.7393 3.7393 4.5392 4.5392 6.0733 6.0733 6.1692 6.1692 6.2238 6.2238 10.7116 10.7116 10.7434 10.7434 10.9827 10.9827 11.9970 11.9971 k = 0.3333 0.5774 0.1389 ( 4278 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.5943 -2.5943 -2.5507 -2.5507 -0.9191 -0.9191 -0.8458 -0.8458 -0.7563 -0.7563 -0.5068 -0.5068 -0.2235 -0.2235 -0.1485 -0.1485 -0.1180 -0.1180 -0.0771 -0.0771 0.2943 0.2943 0.4524 0.4524 3.6500 3.6500 3.7182 3.7182 4.5661 4.5661 6.0389 6.0389 6.2248 6.2248 6.2680 6.2680 10.6634 10.6634 10.6924 10.6924 11.0463 11.0463 12.0080 12.0080 k = 0.3333 0.5774 0.1528 ( 4278 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.5932 -2.5932 -2.5496 -2.5496 -0.9189 -0.9189 -0.8456 -0.8456 -0.7569 -0.7569 -0.5079 -0.5079 -0.2235 -0.2235 -0.1494 -0.1494 -0.1190 -0.1190 -0.0772 -0.0772 0.2935 0.2935 0.4521 0.4521 3.6300 3.6300 3.6973 3.6973 4.5951 4.5951 5.9949 5.9949 6.2820 6.2820 6.3213 6.3213 10.6127 10.6127 10.6388 10.6388 11.1121 11.1121 12.0186 12.0186 k = 0.3333 0.5774 0.1667 ( 4278 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8004 -13.8004 -2.5921 -2.5921 -2.5485 -2.5485 -0.9188 -0.9188 -0.8454 -0.8454 -0.7574 -0.7574 -0.5091 -0.5091 -0.2234 -0.2234 -0.1502 -0.1502 -0.1201 -0.1201 -0.0774 -0.0774 0.2927 0.2927 0.4519 0.4519 3.6106 3.6106 3.6771 3.6771 4.6259 4.6259 5.9468 5.9468 6.3398 6.3398 6.3778 6.3778 10.5603 10.5603 10.5835 10.5835 11.1790 11.1790 12.0285 12.0286 k = 0.3333 0.5774 0.1806 ( 4272 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8004 -13.8004 -2.5911 -2.5911 -2.5473 -2.5473 -0.9187 -0.9187 -0.8452 -0.8452 -0.7580 -0.7580 -0.5102 -0.5102 -0.2234 -0.2234 -0.1510 -0.1510 -0.1210 -0.1210 -0.0774 -0.0774 0.2919 0.2919 0.4517 0.4517 3.5921 3.5921 3.6579 3.6579 4.6582 4.6582 5.8968 5.8968 6.3970 6.3970 6.4350 6.4350 10.5073 10.5073 10.5276 10.5276 11.2455 11.2455 12.0375 12.0376 k = 0.3333 0.5774 0.1945 ( 4275 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8004 -13.8004 -2.5901 -2.5901 -2.5463 -2.5463 -0.9185 -0.9185 -0.8451 -0.8451 -0.7585 -0.7585 -0.5113 -0.5113 -0.2233 -0.2233 -0.1518 -0.1518 -0.1220 -0.1220 -0.0776 -0.0776 0.2911 0.2911 0.4515 0.4515 3.5748 3.5748 3.6400 3.6400 4.6915 4.6915 5.8463 5.8463 6.4525 6.4525 6.4910 6.4910 10.4548 10.4548 10.4723 10.4723 11.3103 11.3103 12.0455 12.0455 k = 0.3333 0.5774 0.2084 ( 4257 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5891 -2.5891 -2.5453 -2.5453 -0.9183 -0.9183 -0.8449 -0.8449 -0.7589 -0.7589 -0.5123 -0.5123 -0.2232 -0.2232 -0.1524 -0.1524 -0.1228 -0.1228 -0.0777 -0.0777 0.2905 0.2905 0.4513 0.4513 3.5591 3.5591 3.6236 3.6236 4.7253 4.7253 5.7965 5.7965 6.5053 6.5053 6.5446 6.5446 10.4040 10.4040 10.4190 10.4190 11.3719 11.3719 12.0524 12.0524 k = 0.3333 0.5774 0.2223 ( 4257 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5882 -2.5882 -2.5443 -2.5443 -0.9182 -0.9182 -0.8448 -0.8448 -0.7593 -0.7593 -0.5132 -0.5132 -0.2231 -0.2231 -0.1530 -0.1530 -0.1236 -0.1236 -0.0778 -0.0778 0.2899 0.2899 0.4512 0.4512 3.5450 3.5450 3.6090 3.6090 4.7588 4.7588 5.7484 5.7484 6.5541 6.5541 6.5944 6.5944 10.3563 10.3563 10.3689 10.3689 11.4289 11.4289 12.0582 12.0582 k = 0.3333 0.5774 0.2362 ( 4251 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5875 -2.5875 -2.5435 -2.5435 -0.9181 -0.9181 -0.8447 -0.8447 -0.7597 -0.7597 -0.5140 -0.5140 -0.2231 -0.2231 -0.1535 -0.1535 -0.1242 -0.1242 -0.0779 -0.0779 0.2893 0.2893 0.4510 0.4510 3.5327 3.5327 3.5963 3.5963 4.7911 4.7911 5.7033 5.7033 6.5979 6.5979 6.6391 6.6391 10.3129 10.3129 10.3234 10.3234 11.4798 11.4798 12.0628 12.0628 k = 0.3333 0.5774 0.2500 ( 4263 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5868 -2.5868 -2.5429 -2.5429 -0.9181 -0.9181 -0.8446 -0.8446 -0.7601 -0.7601 -0.5148 -0.5148 -0.2231 -0.2231 -0.1541 -0.1541 -0.1249 -0.1249 -0.0780 -0.0780 0.2888 0.2888 0.4508 0.4508 3.5226 3.5226 3.5858 3.5858 4.8210 4.8210 5.6627 5.6627 6.6356 6.6356 6.6777 6.6777 10.2753 10.2753 10.2839 10.2839 11.5232 11.5232 12.0663 12.0664 k = 0.3333 0.5774 0.2639 ( 4260 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5863 -2.5863 -2.5423 -2.5423 -0.9180 -0.9180 -0.8445 -0.8445 -0.7604 -0.7604 -0.5154 -0.5154 -0.2231 -0.2231 -0.1545 -0.1545 -0.1254 -0.1254 -0.0780 -0.0780 0.2884 0.2884 0.4508 0.4508 3.5145 3.5145 3.5774 3.5774 4.8469 4.8469 5.6281 5.6281 6.6661 6.6661 6.7089 6.7089 10.2446 10.2446 10.2518 10.2518 11.5581 11.5581 12.0689 12.0689 k = 0.3333 0.5774 0.2778 ( 4272 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8102 -13.8102 -13.8004 -13.8004 -2.5859 -2.5859 -2.5419 -2.5419 -0.9180 -0.9180 -0.8445 -0.8445 -0.7606 -0.7606 -0.5158 -0.5158 -0.2231 -0.2231 -0.1548 -0.1548 -0.1258 -0.1258 -0.0782 -0.0782 0.2881 0.2881 0.4506 0.4506 3.5087 3.5087 3.5714 3.5714 4.8673 4.8673 5.6015 5.6015 6.6885 6.6885 6.7320 6.7320 10.2218 10.2218 10.2279 10.2279 11.5836 11.5836 12.0706 12.0706 k = 0.3333 0.5774 0.2917 ( 4266 PWs) bands (ev): -32.8991 -32.8991 -14.1814 -14.1814 -13.8101 -13.8101 -13.8004 -13.8004 -2.5857 -2.5857 -2.5417 -2.5417 -0.9180 -0.9180 -0.8445 -0.8445 -0.7607 -0.7607 -0.5161 -0.5161 -0.2230 -0.2230 -0.1549 -0.1549 -0.1259 -0.1259 -0.0782 -0.0782 0.2879 0.2879 0.4506 0.4506 3.5052 3.5052 3.5678 3.5678 4.8805 4.8805 5.5846 5.5846 6.7023 6.7023 6.7461 6.7461 10.2078 10.2078 10.2132 10.2132 11.5992 11.5992 12.0716 12.0716 k = 0.3333 0.5774 0.3056 ( 4284 PWs) bands (ev): -32.8991 -32.8991 -14.1815 -14.1815 -13.8102 -13.8102 -13.8005 -13.8005 -2.5856 -2.5856 -2.5416 -2.5416 -0.9181 -0.9181 -0.8446 -0.8446 -0.7609 -0.7609 -0.5163 -0.5163 -0.2232 -0.2232 -0.1551 -0.1551 -0.1260 -0.1260 -0.0783 -0.0783 0.2877 0.2877 0.4505 0.4505 3.5040 3.5040 3.5666 3.5666 4.8850 4.8850 5.5788 5.5788 6.7069 6.7069 6.7508 6.7508 10.2031 10.2031 10.2083 10.2083 11.6044 11.6044 12.0719 12.0720 Writing output data file CaxCdAsx2.save init_run : 0.57s CPU 0.80s WALL ( 1 calls) electrons : 283.42s CPU 287.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 283.42s CPU 287.33s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 303 calls) cegterg : 268.50s CPU 271.90s WALL ( 1017 calls) Called by sum_band: Called by *egterg: h_psi : 121.02s CPU 123.49s WALL ( 18508 calls) s_psi : 7.65s CPU 7.83s WALL ( 18508 calls) g_psi : 0.46s CPU 0.41s WALL ( 17188 calls) cdiaghg : 117.69s CPU 118.82s WALL ( 17491 calls) cegterg:over : 10.06s CPU 10.10s WALL ( 17188 calls) cegterg:upda : 11.21s CPU 11.03s WALL ( 17188 calls) cegterg:last : 4.38s CPU 4.32s WALL ( 2071 calls) cdiaghg:chol : 6.61s CPU 6.61s WALL ( 17491 calls) cdiaghg:inve : 4.56s CPU 4.38s WALL ( 17491 calls) cdiaghg:para : 6.87s CPU 6.82s WALL ( 34982 calls) Called by h_psi: h_psi:vloc : 103.38s CPU 105.38s WALL ( 18508 calls) h_psi:vnl : 17.25s CPU 17.74s WALL ( 18508 calls) add_vuspsi : 8.75s CPU 8.93s WALL ( 18508 calls) General routines calbec : 8.47s CPU 8.76s WALL ( 18508 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.96s CPU 88.50s WALL ( 1260568 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.20s WALL ( 606 calls) Parallel routines fft_scatter : 35.33s CPU 36.15s WALL ( 1260591 calls) PWSCF : 4m58.64s CPU 5m17.72s WALL This run was terminated on: 19:40:54 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=