Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:37:14 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: ./SrxCdAsx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 21 6 6506 803 128 Max 88 22 7 6513 823 133 Sum 3115 769 235 234275 29265 4669 bravais-lattice index = 14 lattice parameter (alat) = 8.4131 a.u. unit-cell volume = 859.0277 (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 = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.413060 celldm(2)= 1.000000 celldm(3)= 1.665768 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 1.665768 ) 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 0.600324 ) 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) Sr 10.00 87.62000 Sr( 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= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0136437), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0272874), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0409312), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0545749), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0682186), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0818623), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0955060), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1091497), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1227935), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1364372), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1500809), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1637246), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1773683), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1910121), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.2046558), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.2182995), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.2319432), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2455869), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2592307), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2728744), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2865181), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.3001618), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.3001618), wk = 0.0033223 k( 141) = ( 0.0121951 0.0070409 0.3001618), wk = 0.0033223 k( 142) = ( 0.0243902 0.0140817 0.3001618), wk = 0.0033223 k( 143) = ( 0.0365854 0.0211226 0.3001618), wk = 0.0033223 k( 144) = ( 0.0487805 0.0281634 0.3001618), wk = 0.0033223 k( 145) = ( 0.0609756 0.0352043 0.3001618), wk = 0.0033223 k( 146) = ( 0.0731707 0.0422451 0.3001618), wk = 0.0033223 k( 147) = ( 0.0853658 0.0492860 0.3001618), wk = 0.0033223 k( 148) = ( 0.0975610 0.0563269 0.3001618), wk = 0.0033223 k( 149) = ( 0.1097561 0.0633677 0.3001618), wk = 0.0033223 k( 150) = ( 0.1219512 0.0704086 0.3001618), wk = 0.0033223 k( 151) = ( 0.1341463 0.0774494 0.3001618), wk = 0.0033223 k( 152) = ( 0.1463415 0.0844903 0.3001618), wk = 0.0033223 k( 153) = ( 0.1585366 0.0915311 0.3001618), wk = 0.0033223 k( 154) = ( 0.1707317 0.0985720 0.3001618), wk = 0.0033223 k( 155) = ( 0.1829268 0.1056129 0.3001618), wk = 0.0033223 k( 156) = ( 0.1951219 0.1126537 0.3001618), wk = 0.0033223 k( 157) = ( 0.2073171 0.1196946 0.3001618), wk = 0.0033223 k( 158) = ( 0.2195122 0.1267354 0.3001618), wk = 0.0033223 k( 159) = ( 0.2317073 0.1337763 0.3001618), wk = 0.0033223 k( 160) = ( 0.2439024 0.1408171 0.3001618), wk = 0.0033223 k( 161) = ( 0.2560976 0.1478580 0.3001618), wk = 0.0033223 k( 162) = ( 0.2682927 0.1548989 0.3001618), wk = 0.0033223 k( 163) = ( 0.2804878 0.1619397 0.3001618), wk = 0.0033223 k( 164) = ( 0.2926829 0.1689806 0.3001618), wk = 0.0033223 k( 165) = ( 0.3048781 0.1760214 0.3001618), wk = 0.0033223 k( 166) = ( 0.3170732 0.1830623 0.3001618), wk = 0.0033223 k( 167) = ( 0.3292683 0.1901031 0.3001618), wk = 0.0033223 k( 168) = ( 0.3414634 0.1971440 0.3001618), wk = 0.0033223 k( 169) = ( 0.3536585 0.2041849 0.3001618), wk = 0.0033223 k( 170) = ( 0.3658537 0.2112257 0.3001618), wk = 0.0033223 k( 171) = ( 0.3780488 0.2182666 0.3001618), wk = 0.0033223 k( 172) = ( 0.3902439 0.2253074 0.3001618), wk = 0.0033223 k( 173) = ( 0.4024390 0.2323483 0.3001618), wk = 0.0033223 k( 174) = ( 0.4146341 0.2393891 0.3001618), wk = 0.0033223 k( 175) = ( 0.4268293 0.2464300 0.3001618), wk = 0.0033223 k( 176) = ( 0.4390244 0.2534708 0.3001618), wk = 0.0033223 k( 177) = ( 0.4512195 0.2605117 0.3001618), wk = 0.0033223 k( 178) = ( 0.4634146 0.2675526 0.3001618), wk = 0.0033223 k( 179) = ( 0.4756098 0.2745934 0.3001618), wk = 0.0033223 k( 180) = ( 0.4878049 0.2816343 0.3001618), wk = 0.0033223 k( 181) = ( 0.5000000 0.2886751 0.3001618), wk = 0.0033223 k( 182) = ( 0.5000000 0.2886751 0.3001618), wk = 0.0033223 k( 183) = ( 0.4930556 0.3007033 0.3001618), wk = 0.0033223 k( 184) = ( 0.4861111 0.3127314 0.3001618), wk = 0.0033223 k( 185) = ( 0.4791667 0.3247595 0.3001618), wk = 0.0033223 k( 186) = ( 0.4722222 0.3367877 0.3001618), wk = 0.0033223 k( 187) = ( 0.4652778 0.3488158 0.3001618), wk = 0.0033223 k( 188) = ( 0.4583333 0.3608439 0.3001618), wk = 0.0033223 k( 189) = ( 0.4513889 0.3728720 0.3001618), wk = 0.0033223 k( 190) = ( 0.4444444 0.3849002 0.3001618), wk = 0.0033223 k( 191) = ( 0.4375000 0.3969283 0.3001618), wk = 0.0033223 k( 192) = ( 0.4305556 0.4089564 0.3001618), wk = 0.0033223 k( 193) = ( 0.4236111 0.4209846 0.3001618), wk = 0.0033223 k( 194) = ( 0.4166667 0.4330127 0.3001618), wk = 0.0033223 k( 195) = ( 0.4097222 0.4450408 0.3001618), wk = 0.0033223 k( 196) = ( 0.4027778 0.4570690 0.3001618), wk = 0.0033223 k( 197) = ( 0.3958333 0.4690971 0.3001618), wk = 0.0033223 k( 198) = ( 0.3888889 0.4811252 0.3001618), wk = 0.0033223 k( 199) = ( 0.3819444 0.4931534 0.3001618), wk = 0.0033223 k( 200) = ( 0.3750000 0.5051815 0.3001618), wk = 0.0033223 k( 201) = ( 0.3680556 0.5172096 0.3001618), wk = 0.0033223 k( 202) = ( 0.3611111 0.5292377 0.3001618), wk = 0.0033223 k( 203) = ( 0.3541667 0.5412659 0.3001618), wk = 0.0033223 k( 204) = ( 0.3472222 0.5532940 0.3001618), wk = 0.0033223 k( 205) = ( 0.3402778 0.5653221 0.3001618), wk = 0.0033223 k( 206) = ( 0.3333333 0.5773503 0.3001618), wk = 0.0033223 k( 207) = ( 0.3333333 0.5773503 0.3001618), wk = 0.0033223 k( 208) = ( 0.3263889 0.5653221 0.3001618), wk = 0.0033223 k( 209) = ( 0.3194444 0.5532940 0.3001618), wk = 0.0033223 k( 210) = ( 0.3125000 0.5412659 0.3001618), wk = 0.0033223 k( 211) = ( 0.3055556 0.5292378 0.3001618), wk = 0.0033223 k( 212) = ( 0.2986111 0.5172096 0.3001618), wk = 0.0033223 k( 213) = ( 0.2916667 0.5051815 0.3001618), wk = 0.0033223 k( 214) = ( 0.2847222 0.4931534 0.3001618), wk = 0.0033223 k( 215) = ( 0.2777778 0.4811252 0.3001618), wk = 0.0033223 k( 216) = ( 0.2708333 0.4690971 0.3001618), wk = 0.0033223 k( 217) = ( 0.2638889 0.4570690 0.3001618), wk = 0.0033223 k( 218) = ( 0.2569444 0.4450408 0.3001618), wk = 0.0033223 k( 219) = ( 0.2500000 0.4330127 0.3001618), wk = 0.0033223 k( 220) = ( 0.2430556 0.4209846 0.3001618), wk = 0.0033223 k( 221) = ( 0.2361111 0.4089564 0.3001618), wk = 0.0033223 k( 222) = ( 0.2291667 0.3969283 0.3001618), wk = 0.0033223 k( 223) = ( 0.2222222 0.3849002 0.3001618), wk = 0.0033223 k( 224) = ( 0.2152778 0.3728721 0.3001618), wk = 0.0033223 k( 225) = ( 0.2083333 0.3608439 0.3001618), wk = 0.0033223 k( 226) = ( 0.2013889 0.3488158 0.3001618), wk = 0.0033223 k( 227) = ( 0.1944444 0.3367876 0.3001618), wk = 0.0033223 k( 228) = ( 0.1875000 0.3247595 0.3001618), wk = 0.0033223 k( 229) = ( 0.1805556 0.3127314 0.3001618), wk = 0.0033223 k( 230) = ( 0.1736111 0.3007033 0.3001618), wk = 0.0033223 k( 231) = ( 0.1666667 0.2886751 0.3001618), wk = 0.0033223 k( 232) = ( 0.1597222 0.2766470 0.3001618), wk = 0.0033223 k( 233) = ( 0.1527778 0.2646189 0.3001618), wk = 0.0033223 k( 234) = ( 0.1458333 0.2525907 0.3001618), wk = 0.0033223 k( 235) = ( 0.1388889 0.2405626 0.3001618), wk = 0.0033223 k( 236) = ( 0.1319444 0.2285345 0.3001618), wk = 0.0033223 k( 237) = ( 0.1250000 0.2165064 0.3001618), wk = 0.0033223 k( 238) = ( 0.1180556 0.2044782 0.3001618), wk = 0.0033223 k( 239) = ( 0.1111111 0.1924501 0.3001618), wk = 0.0033223 k( 240) = ( 0.1041667 0.1804220 0.3001618), wk = 0.0033223 k( 241) = ( 0.0972222 0.1683938 0.3001618), wk = 0.0033223 k( 242) = ( 0.0902778 0.1563657 0.3001618), wk = 0.0033223 k( 243) = ( 0.0833333 0.1443376 0.3001618), wk = 0.0033223 k( 244) = ( 0.0763889 0.1323094 0.3001618), wk = 0.0033223 k( 245) = ( 0.0694444 0.1202813 0.3001618), wk = 0.0033223 k( 246) = ( 0.0625000 0.1082532 0.3001618), wk = 0.0033223 k( 247) = ( 0.0555556 0.0962251 0.3001618), wk = 0.0033223 k( 248) = ( 0.0486111 0.0841969 0.3001618), wk = 0.0033223 k( 249) = ( 0.0416667 0.0721688 0.3001618), wk = 0.0033223 k( 250) = ( 0.0347222 0.0601406 0.3001618), wk = 0.0033223 k( 251) = ( 0.0277778 0.0481125 0.3001618), wk = 0.0033223 k( 252) = ( 0.0208333 0.0360844 0.3001618), wk = 0.0033223 k( 253) = ( 0.0138889 0.0240563 0.3001618), wk = 0.0033223 k( 254) = ( 0.0069444 0.0120281 0.3001618), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.3001618), wk = 0.0033223 k( 256) = ( 0.5000000 0.2886751 0.3001618), wk = 0.0033223 k( 257) = ( 0.5000000 0.2886751 0.2865181), wk = 0.0033223 k( 258) = ( 0.5000000 0.2886751 0.2728744), wk = 0.0033223 k( 259) = ( 0.5000000 0.2886751 0.2592307), wk = 0.0033223 k( 260) = ( 0.5000000 0.2886751 0.2455869), wk = 0.0033223 k( 261) = ( 0.5000000 0.2886751 0.2319432), wk = 0.0033223 k( 262) = ( 0.5000000 0.2886751 0.2182995), wk = 0.0033223 k( 263) = ( 0.5000000 0.2886751 0.2046558), wk = 0.0033223 k( 264) = ( 0.5000000 0.2886751 0.1910121), wk = 0.0033223 k( 265) = ( 0.5000000 0.2886751 0.1773683), wk = 0.0033223 k( 266) = ( 0.5000000 0.2886751 0.1637246), wk = 0.0033223 k( 267) = ( 0.5000000 0.2886751 0.1500809), wk = 0.0033223 k( 268) = ( 0.5000000 0.2886751 0.1364372), wk = 0.0033223 k( 269) = ( 0.5000000 0.2886751 0.1227935), wk = 0.0033223 k( 270) = ( 0.5000000 0.2886751 0.1091497), wk = 0.0033223 k( 271) = ( 0.5000000 0.2886751 0.0955060), wk = 0.0033223 k( 272) = ( 0.5000000 0.2886751 0.0818623), wk = 0.0033223 k( 273) = ( 0.5000000 0.2886751 0.0682186), wk = 0.0033223 k( 274) = ( 0.5000000 0.2886751 0.0545749), wk = 0.0033223 k( 275) = ( 0.5000000 0.2886751 0.0409312), wk = 0.0033223 k( 276) = ( 0.5000000 0.2886751 0.0272874), wk = 0.0033223 k( 277) = ( 0.5000000 0.2886751 0.0136437), wk = 0.0033223 k( 278) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.5773503 0.0136437), wk = 0.0033223 k( 281) = ( 0.3333333 0.5773503 0.0272874), wk = 0.0033223 k( 282) = ( 0.3333333 0.5773503 0.0409312), wk = 0.0033223 k( 283) = ( 0.3333333 0.5773503 0.0545749), wk = 0.0033223 k( 284) = ( 0.3333333 0.5773503 0.0682186), wk = 0.0033223 k( 285) = ( 0.3333333 0.5773503 0.0818623), wk = 0.0033223 k( 286) = ( 0.3333333 0.5773503 0.0955060), wk = 0.0033223 k( 287) = ( 0.3333333 0.5773503 0.1091497), wk = 0.0033223 k( 288) = ( 0.3333333 0.5773503 0.1227935), wk = 0.0033223 k( 289) = ( 0.3333333 0.5773503 0.1364372), wk = 0.0033223 k( 290) = ( 0.3333333 0.5773503 0.1500809), wk = 0.0033223 k( 291) = ( 0.3333333 0.5773503 0.1637246), wk = 0.0033223 k( 292) = ( 0.3333333 0.5773503 0.1773683), wk = 0.0033223 k( 293) = ( 0.3333333 0.5773503 0.1910121), wk = 0.0033223 k( 294) = ( 0.3333333 0.5773503 0.2046558), wk = 0.0033223 k( 295) = ( 0.3333333 0.5773503 0.2182995), wk = 0.0033223 k( 296) = ( 0.3333333 0.5773503 0.2319432), wk = 0.0033223 k( 297) = ( 0.3333333 0.5773503 0.2455869), wk = 0.0033223 k( 298) = ( 0.3333333 0.5773503 0.2592307), wk = 0.0033223 k( 299) = ( 0.3333333 0.5773503 0.2728744), wk = 0.0033223 k( 300) = ( 0.3333333 0.5773503 0.2865181), wk = 0.0033223 k( 301) = ( 0.3333333 0.5773503 0.3001618), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0033223 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0033223 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0033223 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0033223 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0033223 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0033223 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0033223 k( 12) = ( 0.1341463 -0.0000000 0.0000000), wk = 0.0033223 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0033223 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0033223 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0033223 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0033223 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0033223 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0033223 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2682927 -0.0000000 0.0000000), wk = 0.0033223 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0033223 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0033223 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0033223 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0033223 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0033223 k( 32) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0033223 k( 34) = ( 0.4024390 -0.0000000 0.0000000), wk = 0.0033223 k( 35) = ( 0.4146341 -0.0000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0033223 k( 37) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0033223 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0033223 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033223 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033223 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033223 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033223 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033223 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0033223 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033223 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033223 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033223 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033223 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033223 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033223 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033223 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033223 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033223 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033223 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033223 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033223 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033223 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033223 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0033223 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 69) = ( 0.3263889 0.3263889 0.0000000), wk = 0.0033223 k( 70) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033223 k( 71) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033223 k( 72) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033223 k( 73) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033223 k( 74) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033223 k( 75) = ( 0.2847222 0.2847222 0.0000000), wk = 0.0033223 k( 76) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033223 k( 77) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033223 k( 78) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033223 k( 79) = ( 0.2569444 0.2569444 0.0000000), wk = 0.0033223 k( 80) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 81) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0033223 k( 82) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033223 k( 83) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033223 k( 84) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033223 k( 85) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033223 k( 86) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033223 k( 87) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033223 k( 88) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033223 k( 89) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0033223 k( 90) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0033223 k( 91) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033223 k( 92) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 93) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033223 k( 94) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0033223 k( 95) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033223 k( 96) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033223 k( 97) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033223 k( 98) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 99) = ( 0.1180556 0.1180556 0.0000000), wk = 0.0033223 k( 100) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033223 k( 101) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 102) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033223 k( 103) = ( 0.0902778 0.0902778 0.0000000), wk = 0.0033223 k( 104) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033223 k( 105) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0033223 k( 106) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033223 k( 107) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033223 k( 109) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033223 k( 112) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033223 k( 113) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033223 k( 114) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033223 k( 115) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033223 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0121951 -0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0243902 -0.0000000 0.5000000), wk = 0.0033223 k( 143) = ( 0.0365854 -0.0000000 0.5000000), wk = 0.0033223 k( 144) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0033223 k( 145) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0033223 k( 146) = ( 0.0731707 -0.0000000 0.5000000), wk = 0.0033223 k( 147) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0033223 k( 148) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0033223 k( 149) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0033223 k( 150) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0033223 k( 151) = ( 0.1341463 -0.0000000 0.5000000), wk = 0.0033223 k( 152) = ( 0.1463415 -0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0033223 k( 155) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0033223 k( 156) = ( 0.1951219 -0.0000000 0.5000000), wk = 0.0033223 k( 157) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033223 k( 158) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0033223 k( 159) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033223 k( 160) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0033223 k( 161) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0033223 k( 162) = ( 0.2682927 -0.0000000 0.5000000), wk = 0.0033223 k( 163) = ( 0.2804878 -0.0000000 0.5000000), wk = 0.0033223 k( 164) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033223 k( 165) = ( 0.3048781 -0.0000000 0.5000000), wk = 0.0033223 k( 166) = ( 0.3170732 -0.0000000 0.5000000), wk = 0.0033223 k( 167) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0033223 k( 168) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0033223 k( 169) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0033223 k( 170) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0033223 k( 171) = ( 0.3780488 -0.0000000 0.5000000), wk = 0.0033223 k( 172) = ( 0.3902439 -0.0000000 0.5000000), wk = 0.0033223 k( 173) = ( 0.4024390 -0.0000000 0.5000000), wk = 0.0033223 k( 174) = ( 0.4146341 -0.0000000 0.5000000), wk = 0.0033223 k( 175) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033223 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033223 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033223 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033223 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033223 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033223 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033223 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033223 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033223 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033223 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033223 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033223 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033223 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033223 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033223 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033223 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033223 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033223 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033223 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033223 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033223 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033223 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033223 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033223 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033223 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033223 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033223 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033223 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033223 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033223 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033223 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033223 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033223 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033223 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033223 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033223 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033223 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033223 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033223 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033223 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033223 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033223 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033223 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033223 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033223 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033223 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033223 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033223 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033223 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033223 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033223 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033223 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033223 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033223 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 256) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033223 k( 257) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0033223 k( 258) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0033223 k( 259) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0033223 k( 260) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0033223 k( 261) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0033223 k( 262) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0033223 k( 263) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0033223 k( 264) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0033223 k( 265) = ( 0.5000000 -0.0000000 0.2954545), wk = 0.0033223 k( 266) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0033223 k( 267) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033223 k( 268) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0033223 k( 269) = ( 0.5000000 -0.0000000 0.2045454), wk = 0.0033223 k( 270) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0033223 k( 271) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0033223 k( 272) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0033223 k( 273) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0033223 k( 274) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0033223 k( 275) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0033223 k( 276) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0033223 k( 277) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0033223 k( 278) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 279) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033223 k( 280) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033223 k( 281) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033223 k( 282) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033223 k( 283) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033223 k( 284) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033223 k( 285) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033223 k( 286) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033223 k( 287) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033223 k( 288) = ( 0.3333333 0.3333333 0.2045454), wk = 0.0033223 k( 289) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033223 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033223 k( 291) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033223 k( 292) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033223 k( 293) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033223 k( 294) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033223 k( 295) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033223 k( 296) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033223 k( 297) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033223 k( 298) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033223 k( 299) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033223 k( 300) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033223 k( 301) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 Dense grid: 234275 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 29265 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 220, 52) NL pseudopotentials 0.22 Mb ( 110, 130) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6508) G-vector shells 0.02 Mb ( 2884) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 220, 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 : ./SrxCdAsx2.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.3 secs Computing kpt #: 11 total cpu time spent up to now is 11.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.4 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.9 secs Computing kpt #: 16 total cpu time spent up to now is 15.7 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.9 secs Computing kpt #: 20 total cpu time spent up to now is 18.7 secs Computing kpt #: 21 total cpu time spent up to now is 19.4 secs Computing kpt #: 22 total cpu time spent up to now is 20.1 secs Computing kpt #: 23 total cpu time spent up to now is 20.8 secs Computing kpt #: 24 total cpu time spent up to now is 21.4 secs Computing kpt #: 25 total cpu time spent up to now is 22.1 secs Computing kpt #: 26 total cpu time spent up to now is 22.7 secs Computing kpt #: 27 total cpu time spent up to now is 23.4 secs Computing kpt #: 28 total cpu time spent up to now is 24.0 secs Computing kpt #: 29 total cpu time spent up to now is 24.7 secs Computing kpt #: 30 total cpu time spent up to now is 25.3 secs Computing kpt #: 31 total cpu time spent up to now is 26.0 secs Computing kpt #: 32 total cpu time spent up to now is 26.6 secs Computing kpt #: 33 total cpu time spent up to now is 27.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.9 secs Computing kpt #: 35 total cpu time spent up to now is 28.5 secs Computing kpt #: 36 total cpu time spent up to now is 29.1 secs Computing kpt #: 37 total cpu time spent up to now is 29.7 secs Computing kpt #: 38 total cpu time spent up to now is 30.4 secs Computing kpt #: 39 total cpu time spent up to now is 31.0 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.3 secs Computing kpt #: 42 total cpu time spent up to now is 32.9 secs Computing kpt #: 43 total cpu time spent up to now is 33.7 secs Computing kpt #: 44 total cpu time spent up to now is 34.5 secs Computing kpt #: 45 total cpu time spent up to now is 35.3 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 37.3 secs Computing kpt #: 48 total cpu time spent up to now is 38.2 secs Computing kpt #: 49 total cpu time spent up to now is 38.9 secs Computing kpt #: 50 total cpu time spent up to now is 39.5 secs Computing kpt #: 51 total cpu time spent up to now is 40.0 secs Computing kpt #: 52 total cpu time spent up to now is 40.5 secs Computing kpt #: 53 total cpu time spent up to now is 41.1 secs Computing kpt #: 54 total cpu time spent up to now is 41.5 secs Computing kpt #: 55 total cpu time spent up to now is 42.0 secs Computing kpt #: 56 total cpu time spent up to now is 42.5 secs Computing kpt #: 57 total cpu time spent up to now is 43.0 secs Computing kpt #: 58 total cpu time spent up to now is 43.4 secs Computing kpt #: 59 total cpu time spent up to now is 43.9 secs Computing kpt #: 60 total cpu time spent up to now is 44.3 secs Computing kpt #: 61 total cpu time spent up to now is 44.7 secs Computing kpt #: 62 total cpu time spent up to now is 45.1 secs Computing kpt #: 63 total cpu time spent up to now is 45.6 secs Computing kpt #: 64 total cpu time spent up to now is 46.0 secs Computing kpt #: 65 total cpu time spent up to now is 46.5 secs Computing kpt #: 66 total cpu time spent up to now is 47.0 secs Computing kpt #: 67 total cpu time spent up to now is 47.7 secs Computing kpt #: 68 total cpu time spent up to now is 48.2 secs Computing kpt #: 69 total cpu time spent up to now is 48.7 secs Computing kpt #: 70 total cpu time spent up to now is 49.2 secs Computing kpt #: 71 total cpu time spent up to now is 50.5 secs Computing kpt #: 72 total cpu time spent up to now is 50.9 secs Computing kpt #: 73 total cpu time spent up to now is 51.3 secs Computing kpt #: 74 total cpu time spent up to now is 51.8 secs Computing kpt #: 75 total cpu time spent up to now is 52.2 secs Computing kpt #: 76 total cpu time spent up to now is 52.6 secs Computing kpt #: 77 total cpu time spent up to now is 53.0 secs Computing kpt #: 78 total cpu time spent up to now is 53.5 secs Computing kpt #: 79 total cpu time spent up to now is 54.0 secs Computing kpt #: 80 total cpu time spent up to now is 54.5 secs Computing kpt #: 81 total cpu time spent up to now is 55.0 secs Computing kpt #: 82 total cpu time spent up to now is 55.5 secs Computing kpt #: 83 total cpu time spent up to now is 56.0 secs Computing kpt #: 84 total cpu time spent up to now is 56.5 secs Computing kpt #: 85 total cpu time spent up to now is 57.0 secs Computing kpt #: 86 total cpu time spent up to now is 57.6 secs Computing kpt #: 87 total cpu time spent up to now is 58.2 secs Computing kpt #: 88 total cpu time spent up to now is 58.7 secs Computing kpt #: 89 total cpu time spent up to now is 59.3 secs Computing kpt #: 90 total cpu time spent up to now is 59.9 secs Computing kpt #: 91 total cpu time spent up to now is 60.5 secs Computing kpt #: 92 total cpu time spent up to now is 61.2 secs Computing kpt #: 93 total cpu time spent up to now is 61.8 secs Computing kpt #: 94 total cpu time spent up to now is 62.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.3 secs Computing kpt #: 96 total cpu time spent up to now is 64.0 secs Computing kpt #: 97 total cpu time spent up to now is 64.7 secs Computing kpt #: 98 total cpu time spent up to now is 65.5 secs Computing kpt #: 99 total cpu time spent up to now is 66.3 secs Computing kpt #: 100 total cpu time spent up to now is 67.2 secs Computing kpt #: 101 total cpu time spent up to now is 68.2 secs Computing kpt #: 102 total cpu time spent up to now is 69.0 secs Computing kpt #: 103 total cpu time spent up to now is 69.8 secs Computing kpt #: 104 total cpu time spent up to now is 70.7 secs Computing kpt #: 105 total cpu time spent up to now is 71.6 secs Computing kpt #: 106 total cpu time spent up to now is 72.5 secs Computing kpt #: 107 total cpu time spent up to now is 73.3 secs Computing kpt #: 108 total cpu time spent up to now is 74.2 secs Computing kpt #: 109 total cpu time spent up to now is 75.1 secs Computing kpt #: 110 total cpu time spent up to now is 75.9 secs Computing kpt #: 111 total cpu time spent up to now is 76.7 secs Computing kpt #: 112 total cpu time spent up to now is 77.5 secs Computing kpt #: 113 total cpu time spent up to now is 78.2 secs Computing kpt #: 114 total cpu time spent up to now is 78.9 secs Computing kpt #: 115 total cpu time spent up to now is 79.6 secs Computing kpt #: 116 total cpu time spent up to now is 80.1 secs Computing kpt #: 117 total cpu time spent up to now is 80.6 secs Computing kpt #: 118 total cpu time spent up to now is 81.1 secs Computing kpt #: 119 total cpu time spent up to now is 81.9 secs Computing kpt #: 120 total cpu time spent up to now is 82.6 secs Computing kpt #: 121 total cpu time spent up to now is 83.2 secs Computing kpt #: 122 total cpu time spent up to now is 84.0 secs Computing kpt #: 123 total cpu time spent up to now is 84.7 secs Computing kpt #: 124 total cpu time spent up to now is 85.4 secs Computing kpt #: 125 total cpu time spent up to now is 86.1 secs Computing kpt #: 126 total cpu time spent up to now is 86.8 secs Computing kpt #: 127 total cpu time spent up to now is 87.6 secs Computing kpt #: 128 total cpu time spent up to now is 88.3 secs Computing kpt #: 129 total cpu time spent up to now is 89.0 secs Computing kpt #: 130 total cpu time spent up to now is 89.7 secs Computing kpt #: 131 total cpu time spent up to now is 90.6 secs Computing kpt #: 132 total cpu time spent up to now is 91.4 secs Computing kpt #: 133 total cpu time spent up to now is 92.0 secs Computing kpt #: 134 total cpu time spent up to now is 92.7 secs Computing kpt #: 135 total cpu time spent up to now is 93.3 secs Computing kpt #: 136 total cpu time spent up to now is 93.9 secs Computing kpt #: 137 total cpu time spent up to now is 94.5 secs Computing kpt #: 138 total cpu time spent up to now is 95.0 secs Computing kpt #: 139 total cpu time spent up to now is 95.6 secs Computing kpt #: 140 total cpu time spent up to now is 96.2 secs Computing kpt #: 141 total cpu time spent up to now is 96.8 secs Computing kpt #: 142 total cpu time spent up to now is 97.4 secs Computing kpt #: 143 total cpu time spent up to now is 98.1 secs Computing kpt #: 144 total cpu time spent up to now is 98.7 secs Computing kpt #: 145 total cpu time spent up to now is 99.3 secs Computing kpt #: 146 total cpu time spent up to now is 100.0 secs Computing kpt #: 147 total cpu time spent up to now is 100.6 secs Computing kpt #: 148 total cpu time spent up to now is 101.3 secs Computing kpt #: 149 total cpu time spent up to now is 102.0 secs Computing kpt #: 150 total cpu time spent up to now is 102.7 secs Computing kpt #: 151 total cpu time spent up to now is 103.8 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.3 secs Computing kpt #: 153 total cpu time spent up to now is 106.1 secs Computing kpt #: 154 total cpu time spent up to now is 107.0 secs Computing kpt #: 155 total cpu time spent up to now is 107.5 secs Computing kpt #: 156 total cpu time spent up to now is 108.2 secs Computing kpt #: 157 total cpu time spent up to now is 108.8 secs Computing kpt #: 158 total cpu time spent up to now is 109.2 secs Computing kpt #: 159 total cpu time spent up to now is 109.7 secs Computing kpt #: 160 total cpu time spent up to now is 110.1 secs Computing kpt #: 161 total cpu time spent up to now is 110.6 secs Computing kpt #: 162 total cpu time spent up to now is 111.0 secs Computing kpt #: 163 total cpu time spent up to now is 111.4 secs Computing kpt #: 164 total cpu time spent up to now is 111.8 secs Computing kpt #: 165 total cpu time spent up to now is 112.2 secs Computing kpt #: 166 total cpu time spent up to now is 112.6 secs Computing kpt #: 167 total cpu time spent up to now is 113.1 secs Computing kpt #: 168 total cpu time spent up to now is 113.5 secs Computing kpt #: 169 total cpu time spent up to now is 113.9 secs Computing kpt #: 170 total cpu time spent up to now is 114.3 secs Computing kpt #: 171 total cpu time spent up to now is 114.7 secs Computing kpt #: 172 total cpu time spent up to now is 115.1 secs Computing kpt #: 173 total cpu time spent up to now is 115.5 secs Computing kpt #: 174 total cpu time spent up to now is 115.9 secs Computing kpt #: 175 total cpu time spent up to now is 116.3 secs Computing kpt #: 176 total cpu time spent up to now is 116.7 secs Computing kpt #: 177 total cpu time spent up to now is 117.2 secs Computing kpt #: 178 total cpu time spent up to now is 117.6 secs Computing kpt #: 179 total cpu time spent up to now is 118.0 secs Computing kpt #: 180 total cpu time spent up to now is 118.4 secs Computing kpt #: 181 total cpu time spent up to now is 118.9 secs Computing kpt #: 182 total cpu time spent up to now is 119.3 secs Computing kpt #: 183 total cpu time spent up to now is 119.8 secs Computing kpt #: 184 total cpu time spent up to now is 120.2 secs Computing kpt #: 185 total cpu time spent up to now is 120.6 secs Computing kpt #: 186 total cpu time spent up to now is 121.0 secs Computing kpt #: 187 total cpu time spent up to now is 121.4 secs Computing kpt #: 188 total cpu time spent up to now is 121.9 secs Computing kpt #: 189 total cpu time spent up to now is 122.3 secs Computing kpt #: 190 total cpu time spent up to now is 122.7 secs Computing kpt #: 191 total cpu time spent up to now is 123.1 secs Computing kpt #: 192 total cpu time spent up to now is 123.5 secs Computing kpt #: 193 total cpu time spent up to now is 123.9 secs Computing kpt #: 194 total cpu time spent up to now is 124.4 secs Computing kpt #: 195 total cpu time spent up to now is 124.8 secs Computing kpt #: 196 total cpu time spent up to now is 125.2 secs Computing kpt #: 197 total cpu time spent up to now is 125.7 secs Computing kpt #: 198 total cpu time spent up to now is 126.2 secs Computing kpt #: 199 total cpu time spent up to now is 126.7 secs Computing kpt #: 200 total cpu time spent up to now is 127.3 secs Computing kpt #: 201 total cpu time spent up to now is 127.9 secs Computing kpt #: 202 total cpu time spent up to now is 128.6 secs Computing kpt #: 203 total cpu time spent up to now is 129.3 secs Computing kpt #: 204 total cpu time spent up to now is 130.0 secs Computing kpt #: 205 total cpu time spent up to now is 130.7 secs Computing kpt #: 206 total cpu time spent up to now is 131.4 secs Computing kpt #: 207 total cpu time spent up to now is 132.2 secs Computing kpt #: 208 total cpu time spent up to now is 132.9 secs Computing kpt #: 209 total cpu time spent up to now is 133.7 secs Computing kpt #: 210 total cpu time spent up to now is 134.4 secs Computing kpt #: 211 total cpu time spent up to now is 135.1 secs Computing kpt #: 212 total cpu time spent up to now is 135.8 secs Computing kpt #: 213 total cpu time spent up to now is 136.3 secs Computing kpt #: 214 total cpu time spent up to now is 136.9 secs Computing kpt #: 215 total cpu time spent up to now is 137.5 secs Computing kpt #: 216 total cpu time spent up to now is 138.1 secs Computing kpt #: 217 total cpu time spent up to now is 138.6 secs Computing kpt #: 218 total cpu time spent up to now is 139.3 secs Computing kpt #: 219 total cpu time spent up to now is 140.0 secs Computing kpt #: 220 total cpu time spent up to now is 140.7 secs Computing kpt #: 221 total cpu time spent up to now is 141.4 secs Computing kpt #: 222 total cpu time spent up to now is 142.1 secs Computing kpt #: 223 total cpu time spent up to now is 142.6 secs Computing kpt #: 224 total cpu time spent up to now is 143.3 secs Computing kpt #: 225 total cpu time spent up to now is 144.0 secs Computing kpt #: 226 total cpu time spent up to now is 144.7 secs Computing kpt #: 227 total cpu time spent up to now is 145.5 secs Computing kpt #: 228 total cpu time spent up to now is 146.2 secs Computing kpt #: 229 total cpu time spent up to now is 146.9 secs Computing kpt #: 230 total cpu time spent up to now is 147.5 secs Computing kpt #: 231 total cpu time spent up to now is 148.2 secs Computing kpt #: 232 total cpu time spent up to now is 148.7 secs Computing kpt #: 233 total cpu time spent up to now is 149.3 secs Computing kpt #: 234 total cpu time spent up to now is 149.8 secs Computing kpt #: 235 total cpu time spent up to now is 150.3 secs Computing kpt #: 236 total cpu time spent up to now is 150.8 secs Computing kpt #: 237 total cpu time spent up to now is 151.3 secs Computing kpt #: 238 total cpu time spent up to now is 151.8 secs Computing kpt #: 239 total cpu time spent up to now is 152.3 secs Computing kpt #: 240 total cpu time spent up to now is 152.8 secs Computing kpt #: 241 total cpu time spent up to now is 153.3 secs Computing kpt #: 242 total cpu time spent up to now is 153.8 secs Computing kpt #: 243 total cpu time spent up to now is 154.4 secs Computing kpt #: 244 total cpu time spent up to now is 155.2 secs Computing kpt #: 245 total cpu time spent up to now is 156.0 secs Computing kpt #: 246 total cpu time spent up to now is 156.7 secs Computing kpt #: 247 total cpu time spent up to now is 157.4 secs Computing kpt #: 248 total cpu time spent up to now is 158.0 secs Computing kpt #: 249 total cpu time spent up to now is 158.6 secs Computing kpt #: 250 total cpu time spent up to now is 159.3 secs Computing kpt #: 251 total cpu time spent up to now is 159.9 secs Computing kpt #: 252 total cpu time spent up to now is 160.5 secs Computing kpt #: 253 total cpu time spent up to now is 161.1 secs Computing kpt #: 254 total cpu time spent up to now is 161.7 secs Computing kpt #: 255 total cpu time spent up to now is 162.3 secs Computing kpt #: 256 total cpu time spent up to now is 162.7 secs Computing kpt #: 257 total cpu time spent up to now is 163.1 secs Computing kpt #: 258 total cpu time spent up to now is 163.5 secs Computing kpt #: 259 total cpu time spent up to now is 163.9 secs Computing kpt #: 260 total cpu time spent up to now is 164.4 secs Computing kpt #: 261 total cpu time spent up to now is 164.8 secs Computing kpt #: 262 total cpu time spent up to now is 165.2 secs Computing kpt #: 263 total cpu time spent up to now is 165.6 secs Computing kpt #: 264 total cpu time spent up to now is 166.0 secs Computing kpt #: 265 total cpu time spent up to now is 166.4 secs Computing kpt #: 266 total cpu time spent up to now is 166.8 secs Computing kpt #: 267 total cpu time spent up to now is 167.2 secs Computing kpt #: 268 total cpu time spent up to now is 167.7 secs Computing kpt #: 269 total cpu time spent up to now is 168.1 secs Computing kpt #: 270 total cpu time spent up to now is 168.5 secs Computing kpt #: 271 total cpu time spent up to now is 168.9 secs Computing kpt #: 272 total cpu time spent up to now is 169.4 secs Computing kpt #: 273 total cpu time spent up to now is 169.8 secs Computing kpt #: 274 total cpu time spent up to now is 170.3 secs Computing kpt #: 275 total cpu time spent up to now is 170.7 secs Computing kpt #: 276 total cpu time spent up to now is 171.2 secs Computing kpt #: 277 total cpu time spent up to now is 171.8 secs Computing kpt #: 278 total cpu time spent up to now is 172.5 secs Computing kpt #: 279 total cpu time spent up to now is 173.0 secs Computing kpt #: 280 total cpu time spent up to now is 173.5 secs Computing kpt #: 281 total cpu time spent up to now is 174.0 secs Computing kpt #: 282 total cpu time spent up to now is 174.5 secs Computing kpt #: 283 total cpu time spent up to now is 175.0 secs Computing kpt #: 284 total cpu time spent up to now is 175.5 secs Computing kpt #: 285 total cpu time spent up to now is 176.0 secs Computing kpt #: 286 total cpu time spent up to now is 176.5 secs Computing kpt #: 287 total cpu time spent up to now is 177.0 secs Computing kpt #: 288 total cpu time spent up to now is 177.5 secs Computing kpt #: 289 total cpu time spent up to now is 178.1 secs Computing kpt #: 290 total cpu time spent up to now is 178.6 secs Computing kpt #: 291 total cpu time spent up to now is 179.3 secs Computing kpt #: 292 total cpu time spent up to now is 179.8 secs Computing kpt #: 293 total cpu time spent up to now is 180.5 secs Computing kpt #: 294 total cpu time spent up to now is 181.2 secs Computing kpt #: 295 total cpu time spent up to now is 181.9 secs Computing kpt #: 296 total cpu time spent up to now is 182.7 secs Computing kpt #: 297 total cpu time spent up to now is 183.4 secs Computing kpt #: 298 total cpu time spent up to now is 184.1 secs Computing kpt #: 299 total cpu time spent up to now is 184.8 secs Computing kpt #: 300 total cpu time spent up to now is 185.5 secs Computing kpt #: 301 total cpu time spent up to now is 186.3 secs ethr = 2.27E-08, avg # of iterations = 33.6 total cpu time spent up to now is 186.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6866 -8.6866 -3.0630 -3.0630 -2.5089 -2.5089 -0.9225 -0.9225 -0.9221 -0.9221 -0.8375 -0.8375 -0.6774 -0.6774 -0.2320 -0.2320 -0.1784 -0.1784 -0.1718 -0.1718 0.0089 0.0089 0.0847 0.0847 0.1840 0.1840 3.4445 3.4445 6.9480 6.9480 7.0988 7.0988 7.9771 7.9771 8.2398 8.2398 8.3521 8.3521 8.4885 8.4885 8.8784 8.8784 10.6162 10.6162 11.0668 11.0668 k = 0.0122 0.0070-0.0000 ( 3715 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6868 -8.6868 -3.0622 -3.0622 -2.5089 -2.5089 -0.9222 -0.9222 -0.9219 -0.9219 -0.8375 -0.8375 -0.6772 -0.6772 -0.2319 -0.2319 -0.1809 -0.1809 -0.1692 -0.1692 0.0091 0.0091 0.0845 0.0845 0.1842 0.1842 3.4461 3.4461 6.9408 6.9408 7.0911 7.0911 7.9727 7.9727 8.2168 8.2168 8.3155 8.3155 8.5498 8.5498 8.8840 8.8840 10.6193 10.6193 11.0727 11.0727 k = 0.0244 0.0141-0.0000 ( 3711 PWs) bands (ev): -27.0517 -27.0517 -9.8746 -9.8746 -8.7811 -8.7811 -8.6872 -8.6872 -3.0598 -3.0598 -2.5087 -2.5087 -0.9216 -0.9216 -0.9215 -0.9215 -0.8375 -0.8375 -0.6768 -0.6768 -0.2318 -0.2318 -0.1849 -0.1849 -0.1647 -0.1647 0.0097 0.0097 0.0838 0.0838 0.1848 0.1848 3.4508 3.4508 6.9171 6.9171 7.0718 7.0718 7.9498 7.9498 8.1547 8.1547 8.2871 8.2871 8.6531 8.6531 8.9013 8.9013 10.6284 10.6284 11.0902 11.0902 k = 0.0366 0.0211-0.0000 ( 3705 PWs) bands (ev): -27.0516 -27.0516 -9.8748 -9.8748 -8.7811 -8.7811 -8.6880 -8.6880 -3.0558 -3.0558 -2.5084 -2.5084 -0.9207 -0.9207 -0.9204 -0.9204 -0.8375 -0.8375 -0.6762 -0.6762 -0.2315 -0.2315 -0.1889 -0.1889 -0.1599 -0.1599 0.0107 0.0107 0.0828 0.0828 0.1857 0.1857 3.4586 3.4586 6.8728 6.8728 7.0491 7.0491 7.8848 7.8848 8.1054 8.1054 8.2717 8.2717 8.7595 8.7595 8.9327 8.9327 10.6430 10.6430 11.1189 11.1189 k = 0.0488 0.0282-0.0000 ( 3707 PWs) bands (ev): -27.0516 -27.0516 -9.8751 -9.8751 -8.7812 -8.7812 -8.6891 -8.6891 -3.0502 -3.0502 -2.5080 -2.5080 -0.9196 -0.9196 -0.9188 -0.9188 -0.8376 -0.8376 -0.6752 -0.6752 -0.2311 -0.2311 -0.1926 -0.1926 -0.1551 -0.1551 0.0120 0.0120 0.0814 0.0814 0.1871 0.1871 3.4695 3.4695 6.8071 6.8071 7.0286 7.0286 7.7800 7.7800 8.0811 8.0811 8.2564 8.2564 8.8598 8.8598 8.9822 8.9822 10.6622 10.6622 11.1580 11.1580 k = 0.0610 0.0352-0.0000 ( 3707 PWs) bands (ev): -27.0515 -27.0515 -9.8756 -9.8756 -8.7812 -8.7812 -8.6904 -8.6904 -3.0430 -3.0430 -2.5076 -2.5076 -0.9182 -0.9182 -0.9167 -0.9167 -0.8377 -0.8377 -0.6740 -0.6740 -0.2306 -0.2306 -0.1959 -0.1959 -0.1504 -0.1504 0.0136 0.0136 0.0796 0.0796 0.1889 0.1889 3.4835 3.4835 6.7242 6.7242 7.0103 7.0103 7.6563 7.6563 8.0626 8.0626 8.2377 8.2377 8.9477 8.9477 9.0541 9.0541 10.6851 10.6851 11.2063 11.2063 k = 0.0732 0.0422-0.0000 ( 3703 PWs) bands (ev): -27.0514 -27.0514 -9.8761 -9.8761 -8.7813 -8.7813 -8.6920 -8.6920 -3.0344 -3.0344 -2.5070 -2.5070 -0.9166 -0.9166 -0.9141 -0.9141 -0.8378 -0.8378 -0.6725 -0.6725 -0.2301 -0.2301 -0.1987 -0.1987 -0.1459 -0.1459 0.0154 0.0154 0.0774 0.0774 0.1913 0.1913 3.5004 3.5004 6.6289 6.6289 6.9930 6.9930 7.5249 7.5249 8.0403 8.0403 8.2142 8.2142 9.0247 9.0247 9.1452 9.1452 10.7106 10.7106 11.2623 11.2623 k = 0.0854 0.0493-0.0000 ( 3695 PWs) bands (ev): -27.0512 -27.0512 -9.8767 -9.8767 -8.7815 -8.7815 -8.6939 -8.6939 -3.0243 -3.0243 -2.5063 -2.5063 -0.9147 -0.9147 -0.9111 -0.9111 -0.8378 -0.8378 -0.6707 -0.6707 -0.2296 -0.2296 -0.2009 -0.2009 -0.1417 -0.1417 0.0174 0.0174 0.0750 0.0750 0.1943 0.1943 3.5202 3.5202 6.5252 6.5252 6.9752 6.9752 7.3902 7.3902 8.0118 8.0118 8.1850 8.1850 9.0983 9.0983 9.2451 9.2451 10.7380 10.7380 11.3246 11.3246 k = 0.0976 0.0563-0.0000 ( 3695 PWs) bands (ev): -27.0511 -27.0511 -9.8775 -9.8775 -8.7817 -8.7817 -8.6960 -8.6960 -3.0129 -3.0129 -2.5056 -2.5056 -0.9125 -0.9125 -0.9076 -0.9076 -0.8378 -0.8378 -0.6687 -0.6687 -0.2291 -0.2291 -0.2024 -0.2024 -0.1378 -0.1378 0.0194 0.0194 0.0724 0.0724 0.1979 0.1979 3.5428 3.5428 6.4156 6.4156 6.9565 6.9565 7.2544 7.2544 7.9775 7.9775 8.1500 8.1500 9.1720 9.1720 9.3474 9.3474 10.7664 10.7664 11.3918 11.3918 k = 0.1098 0.0634-0.0000 ( 3693 PWs) bands (ev): -27.0510 -27.0510 -9.8783 -9.8783 -8.7819 -8.7819 -8.6984 -8.6984 -3.0001 -3.0001 -2.5048 -2.5048 -0.9101 -0.9101 -0.9037 -0.9037 -0.8378 -0.8378 -0.6664 -0.6664 -0.2285 -0.2285 -0.2033 -0.2033 -0.1342 -0.1342 0.0212 0.0212 0.0698 0.0698 0.2022 0.2022 3.5681 3.5681 6.3016 6.3016 6.9364 6.9364 7.1186 7.1186 7.9380 7.9380 8.1096 8.1096 9.2455 9.2455 9.4489 9.4489 10.7956 10.7956 11.4626 11.4626 k = 0.1220 0.0704-0.0000 ( 3689 PWs) bands (ev): -27.0508 -27.0508 -9.8792 -9.8792 -8.7821 -8.7821 -8.7009 -8.7009 -2.9860 -2.9860 -2.5039 -2.5039 -0.9074 -0.9074 -0.8993 -0.8993 -0.8376 -0.8376 -0.6638 -0.6638 -0.2278 -0.2278 -0.2036 -0.2036 -0.1310 -0.1310 0.0226 0.0226 0.0673 0.0673 0.2072 0.2072 3.5960 3.5960 6.1846 6.1846 6.9149 6.9149 6.9839 6.9839 7.8944 7.8944 8.0647 8.0647 9.3182 9.3182 9.5471 9.5471 10.8255 10.8255 11.5353 11.5353 k = 0.1341 0.0774-0.0000 ( 3679 PWs) bands (ev): -27.0506 -27.0506 -9.8801 -9.8801 -8.7825 -8.7825 -8.7035 -8.7035 -2.9708 -2.9708 -2.5030 -2.5030 -0.9045 -0.9045 -0.8944 -0.8944 -0.8372 -0.8372 -0.6608 -0.6608 -0.2270 -0.2270 -0.2032 -0.2032 -0.1282 -0.1282 0.0233 0.0233 0.0654 0.0654 0.2130 0.2130 3.6263 3.6263 6.0653 6.0653 6.8506 6.8506 6.8924 6.8924 7.8474 7.8474 8.0158 8.0158 9.3891 9.3891 9.6392 9.6392 10.8573 10.8573 11.6050 11.6050 k = 0.1463 0.0845-0.0000 ( 3683 PWs) bands (ev): -27.0504 -27.0504 -9.8812 -9.8812 -8.7829 -8.7829 -8.7063 -8.7063 -2.9545 -2.9545 -2.5021 -2.5021 -0.9015 -0.9015 -0.8893 -0.8893 -0.8366 -0.8366 -0.6576 -0.6576 -0.2261 -0.2261 -0.2023 -0.2023 -0.1258 -0.1258 0.0229 0.0229 0.0642 0.0642 0.2195 0.2195 3.6589 3.6589 5.9444 5.9444 6.7202 6.7202 6.8680 6.8680 7.7977 7.7977 7.9639 7.9639 9.4578 9.4578 9.7220 9.7220 10.8926 10.8926 11.6511 11.6511 k = 0.1585 0.0915-0.0000 ( 3689 PWs) bands (ev): -27.0502 -27.0502 -9.8823 -9.8823 -8.7833 -8.7833 -8.7092 -8.7092 -2.9373 -2.9373 -2.5011 -2.5011 -0.8983 -0.8983 -0.8839 -0.8839 -0.8356 -0.8356 -0.6542 -0.6542 -0.2248 -0.2248 -0.2009 -0.2009 -0.1238 -0.1238 0.0212 0.0212 0.0640 0.0640 0.2268 0.2268 3.6935 3.6935 5.8222 5.8222 6.5927 6.5927 6.8425 6.8425 7.7458 7.7458 7.9096 7.9096 9.5240 9.5240 9.7923 9.7923 10.9340 10.9340 11.6659 11.6660 k = 0.1707 0.0986-0.0000 ( 3683 PWs) bands (ev): -27.0500 -27.0500 -9.8835 -9.8835 -8.7839 -8.7839 -8.7121 -8.7121 -2.9191 -2.9191 -2.5001 -2.5001 -0.8950 -0.8950 -0.8783 -0.8783 -0.8342 -0.8342 -0.6503 -0.6503 -0.2233 -0.2233 -0.1991 -0.1991 -0.1220 -0.1220 0.0184 0.0184 0.0646 0.0646 0.2349 0.2349 3.7300 3.7300 5.6993 5.6993 6.4687 6.4687 6.8158 6.8158 7.6921 7.6921 7.8536 7.8536 9.5872 9.5872 9.8477 9.8477 10.9842 10.9842 11.6797 11.6797 k = 0.1829 0.1056-0.0000 ( 3679 PWs) bands (ev): -27.0498 -27.0498 -9.8847 -9.8847 -8.7846 -8.7846 -8.7150 -8.7150 -2.9003 -2.9003 -2.4991 -2.4991 -0.8916 -0.8916 -0.8729 -0.8729 -0.8321 -0.8321 -0.6462 -0.6462 -0.2213 -0.2213 -0.1968 -0.1968 -0.1207 -0.1207 0.0145 0.0145 0.0661 0.0661 0.2437 0.2437 3.7680 3.7680 5.5759 5.5759 6.3487 6.3487 6.7881 6.7881 7.6368 7.6368 7.7966 7.7966 9.6469 9.6469 9.8874 9.8874 11.0446 11.0446 11.6999 11.6999 k = 0.1951 0.1127-0.0000 ( 3687 PWs) bands (ev): -27.0496 -27.0496 -9.8860 -9.8860 -8.7854 -8.7854 -8.7179 -8.7179 -2.8808 -2.8808 -2.4982 -2.4982 -0.8881 -0.8881 -0.8677 -0.8677 -0.8290 -0.8290 -0.6418 -0.6418 -0.2190 -0.2190 -0.1941 -0.1941 -0.1196 -0.1196 0.0098 0.0098 0.0681 0.0681 0.2532 0.2532 3.8073 3.8073 5.4525 5.4525 6.2332 6.2332 6.7595 6.7595 7.5802 7.5802 7.7392 7.7392 9.7014 9.7014 9.9132 9.9132 11.1151 11.1151 11.7263 11.7263 k = 0.2073 0.1197-0.0000 ( 3683 PWs) bands (ev): -27.0493 -27.0493 -9.8874 -9.8874 -8.7863 -8.7863 -8.7208 -8.7208 -2.8607 -2.8607 -2.4972 -2.4972 -0.8846 -0.8846 -0.8631 -0.8631 -0.8248 -0.8248 -0.6370 -0.6370 -0.2164 -0.2164 -0.1909 -0.1909 -0.1188 -0.1188 0.0046 0.0046 0.0705 0.0705 0.2632 0.2632 3.8475 3.8475 5.3294 5.3294 6.1226 6.1226 6.7302 6.7302 7.5224 7.5224 7.6819 7.6819 9.7476 9.7476 9.9304 9.9304 11.1935 11.1935 11.7574 11.7574 k = 0.2195 0.1267-0.0000 ( 3673 PWs) bands (ev): -27.0491 -27.0491 -9.8888 -9.8888 -8.7874 -8.7874 -8.7235 -8.7235 -2.8403 -2.8403 -2.4963 -2.4963 -0.8810 -0.8810 -0.8593 -0.8593 -0.8192 -0.8192 -0.6318 -0.6318 -0.2136 -0.2136 -0.1872 -0.1872 -0.1182 -0.1182 -0.0009 -0.0009 0.0731 0.0731 0.2737 0.2737 3.8881 3.8881 5.2069 5.2069 6.0172 6.0172 6.7003 6.7003 7.4634 7.4634 7.6254 7.6254 9.7790 9.7790 9.9484 9.9484 11.2761 11.2761 11.7913 11.7913 k = 0.2317 0.1338-0.0000 ( 3673 PWs) bands (ev): -27.0488 -27.0488 -9.8902 -9.8902 -8.7886 -8.7886 -8.7261 -8.7261 -2.8197 -2.8197 -2.4954 -2.4954 -0.8775 -0.8775 -0.8562 -0.8562 -0.8125 -0.8125 -0.6264 -0.6264 -0.2106 -0.2106 -0.1829 -0.1829 -0.1178 -0.1178 -0.0066 -0.0066 0.0759 0.0759 0.2846 0.2846 3.9287 3.9287 5.0857 5.0857 5.9176 5.9176 6.6701 6.6701 7.4032 7.4032 7.5700 7.5700 9.7891 9.7891 9.9767 9.9767 11.3588 11.3588 11.8260 11.8260 k = 0.2439 0.1408-0.0000 ( 3677 PWs) bands (ev): -27.0486 -27.0486 -9.8916 -9.8916 -8.7900 -8.7900 -8.7286 -8.7286 -2.7989 -2.7989 -2.4946 -2.4946 -0.8741 -0.8741 -0.8537 -0.8537 -0.8047 -0.8047 -0.6205 -0.6205 -0.2077 -0.2077 -0.1779 -0.1779 -0.1175 -0.1175 -0.0124 -0.0124 0.0787 0.0787 0.2957 0.2957 3.9684 3.9684 4.9662 4.9662 5.8242 5.8242 6.6396 6.6396 7.3420 7.3420 7.5163 7.5163 9.7797 9.7797 10.0163 10.0163 11.4373 11.4373 11.8596 11.8596 k = 0.2561 0.1479-0.0000 ( 3673 PWs) bands (ev): -27.0483 -27.0483 -9.8931 -9.8931 -8.7916 -8.7916 -8.7308 -8.7308 -2.7781 -2.7781 -2.4938 -2.4938 -0.8708 -0.8708 -0.8516 -0.8516 -0.7960 -0.7960 -0.6143 -0.6143 -0.2049 -0.2049 -0.1720 -0.1720 -0.1173 -0.1173 -0.0180 -0.0180 0.0818 0.0818 0.3070 0.3070 4.0064 4.0064 4.8491 4.8491 5.7375 5.7375 6.6091 6.6091 7.2799 7.2799 7.4645 7.4645 9.7576 9.7576 10.0624 10.0624 11.5077 11.5077 11.8906 11.8906 k = 0.2683 0.1549-0.0000 ( 3671 PWs) bands (ev): -27.0481 -27.0481 -9.8946 -9.8946 -8.7933 -8.7933 -8.7329 -8.7329 -2.7575 -2.7575 -2.4930 -2.4930 -0.8677 -0.8677 -0.8497 -0.8497 -0.7869 -0.7869 -0.6078 -0.6078 -0.2024 -0.2024 -0.1655 -0.1655 -0.1171 -0.1171 -0.0233 -0.0233 0.0850 0.0850 0.3182 0.3182 4.0414 4.0414 4.7354 4.7354 5.6580 5.6580 6.5787 6.5787 7.2169 7.2169 7.4149 7.4149 9.7285 9.7285 10.1113 10.1113 11.5666 11.5666 11.9181 11.9181 k = 0.2805 0.1619-0.0000 ( 3663 PWs) bands (ev): -27.0479 -27.0479 -9.8961 -9.8961 -8.7952 -8.7952 -8.7347 -8.7347 -2.7372 -2.7372 -2.4923 -2.4923 -0.8647 -0.8647 -0.8479 -0.8479 -0.7773 -0.7773 -0.6008 -0.6008 -0.2001 -0.2001 -0.1585 -0.1585 -0.1166 -0.1166 -0.0282 -0.0282 0.0884 0.0884 0.3293 0.3293 4.0715 4.0715 4.6266 4.6266 5.5865 5.5865 6.5486 6.5486 7.1533 7.1533 7.3676 7.3676 9.6957 9.6957 10.1609 10.1609 11.6106 11.6106 11.9430 11.9430 k = 0.2927 0.1690-0.0000 ( 3667 PWs) bands (ev): -27.0476 -27.0476 -9.8975 -9.8975 -8.7972 -8.7972 -8.7363 -8.7363 -2.7173 -2.7173 -2.4916 -2.4916 -0.8620 -0.8620 -0.8462 -0.8462 -0.7677 -0.7677 -0.5936 -0.5936 -0.1982 -0.1982 -0.1515 -0.1515 -0.1157 -0.1157 -0.0326 -0.0326 0.0921 0.0921 0.3401 0.3401 4.0937 4.0937 4.5253 4.5253 5.5237 5.5237 6.5190 6.5190 7.0893 7.0893 7.3227 7.3227 9.6611 9.6611 10.2101 10.2101 11.6367 11.6367 11.9678 11.9678 k = 0.3049 0.1760-0.0000 ( 3667 PWs) bands (ev): -27.0474 -27.0474 -9.8990 -9.8990 -8.7993 -8.7993 -8.7377 -8.7377 -2.6979 -2.6979 -2.4909 -2.4909 -0.8596 -0.8596 -0.8445 -0.8445 -0.7580 -0.7580 -0.5860 -0.5860 -0.1966 -0.1966 -0.1452 -0.1452 -0.1136 -0.1136 -0.0362 -0.0362 0.0962 0.0962 0.3504 0.3504 4.1027 4.1027 4.4363 4.4363 5.4704 5.4704 6.4901 6.4901 7.0250 7.0250 7.2803 7.2803 9.6260 9.6260 10.2583 10.2583 11.6430 11.6430 11.9960 11.9960 k = 0.3171 0.1831-0.0000 ( 3665 PWs) bands (ev): -27.0471 -27.0471 -9.9004 -9.9004 -8.8015 -8.8015 -8.7389 -8.7389 -2.6793 -2.6793 -2.4903 -2.4903 -0.8574 -0.8574 -0.8427 -0.8427 -0.7485 -0.7485 -0.5782 -0.5782 -0.1953 -0.1953 -0.1407 -0.1407 -0.1098 -0.1098 -0.0387 -0.0387 0.1008 0.1008 0.3601 0.3601 4.0895 4.0895 4.3680 4.3680 5.4274 5.4274 6.4620 6.4620 6.9608 6.9608 7.2404 7.2404 9.5912 9.5912 10.3050 10.3050 11.6303 11.6303 12.0297 12.0297 k = 0.3293 0.1901-0.0000 ( 3661 PWs) bands (ev): -27.0469 -27.0469 -9.9018 -9.9018 -8.8038 -8.8038 -8.7400 -8.7400 -2.6614 -2.6614 -2.4896 -2.4896 -0.8555 -0.8555 -0.8409 -0.8409 -0.7393 -0.7393 -0.5702 -0.5702 -0.1943 -0.1943 -0.1385 -0.1385 -0.1043 -0.1043 -0.0397 -0.0397 0.1062 0.1062 0.3690 0.3690 4.0475 4.0475 4.3267 4.3267 5.3953 5.3953 6.4348 6.4348 6.8968 6.8968 7.2030 7.2030 9.5573 9.5573 10.3500 10.3500 11.6017 11.6017 12.0693 12.0693 k = 0.3415 0.1971-0.0000 ( 3660 PWs) bands (ev): -27.0467 -27.0467 -9.9031 -9.9031 -8.8060 -8.8060 -8.7408 -8.7408 -2.6444 -2.6444 -2.4889 -2.4889 -0.8538 -0.8538 -0.8391 -0.8391 -0.7305 -0.7305 -0.5621 -0.5621 -0.1934 -0.1934 -0.1381 -0.1381 -0.0982 -0.0982 -0.0387 -0.0387 0.1125 0.1125 0.3768 0.3768 3.9825 3.9825 4.3065 4.3065 5.3745 5.3745 6.4089 6.4089 6.8331 6.8331 7.1681 7.1681 9.5248 9.5248 10.3930 10.3930 11.5616 11.5616 12.1139 12.1139 k = 0.3537 0.2042-0.0000 ( 3650 PWs) bands (ev): -27.0465 -27.0465 -9.9044 -9.9044 -8.8082 -8.8082 -8.7415 -8.7415 -2.6284 -2.6284 -2.4882 -2.4882 -0.8523 -0.8523 -0.8373 -0.8373 -0.7221 -0.7221 -0.5539 -0.5539 -0.1928 -0.1928 -0.1389 -0.1389 -0.0928 -0.0928 -0.0355 -0.0355 0.1200 0.1200 0.3835 0.3835 3.9066 3.9066 4.2955 4.2955 5.3650 5.3650 6.3842 6.3842 6.7700 6.7700 7.1357 7.1357 9.4939 9.4939 10.4338 10.4338 11.5140 11.5140 12.1629 12.1629 k = 0.3659 0.2112-0.0000 ( 3654 PWs) bands (ev): -27.0463 -27.0463 -9.9056 -9.9056 -8.8104 -8.8104 -8.7421 -8.7421 -2.6136 -2.6136 -2.4874 -2.4874 -0.8510 -0.8510 -0.8357 -0.8357 -0.7142 -0.7142 -0.5459 -0.5459 -0.1924 -0.1924 -0.1406 -0.1406 -0.0889 -0.0889 -0.0300 -0.0300 0.1288 0.1288 0.3888 0.3888 3.8283 3.8283 4.2862 4.2862 5.3662 5.3662 6.3609 6.3609 6.7077 6.7077 7.1059 7.1059 9.4648 9.4648 10.4723 10.4723 11.4623 11.4623 12.2156 12.2156 k = 0.3780 0.2183-0.0000 ( 3650 PWs) bands (ev): -27.0461 -27.0461 -9.9067 -9.9067 -8.8124 -8.8124 -8.7426 -8.7426 -2.6000 -2.6000 -2.4866 -2.4866 -0.8497 -0.8497 -0.8342 -0.8342 -0.7070 -0.7070 -0.5381 -0.5381 -0.1920 -0.1920 -0.1427 -0.1427 -0.0863 -0.0863 -0.0228 -0.0228 0.1394 0.1394 0.3927 0.3927 3.7516 3.7516 4.2756 4.2756 5.3772 5.3772 6.3392 6.3392 6.6464 6.6464 7.0786 7.0786 9.4378 9.4378 10.5083 10.5083 11.4090 11.4090 12.2716 12.2716 k = 0.3902 0.2253-0.0000 ( 3650 PWs) bands (ev): -27.0460 -27.0460 -9.9078 -9.9078 -8.8144 -8.8144 -8.7430 -8.7430 -2.5877 -2.5877 -2.4856 -2.4856 -0.8486 -0.8486 -0.8328 -0.8328 -0.7003 -0.7003 -0.5306 -0.5306 -0.1917 -0.1917 -0.1453 -0.1453 -0.0849 -0.0849 -0.0149 -0.0149 0.1517 0.1517 0.3948 0.3948 3.6788 3.6788 4.2630 4.2630 5.3965 5.3965 6.3192 6.3192 6.5863 6.5863 7.0538 7.0538 9.4130 9.4130 10.5418 10.5418 11.3562 11.3562 12.3307 12.3307 k = 0.4024 0.2323-0.0000 ( 3654 PWs) bands (ev): -27.0458 -27.0458 -9.9087 -9.9087 -8.8162 -8.8162 -8.7432 -8.7432 -2.5768 -2.5768 -2.4846 -2.4846 -0.8476 -0.8476 -0.8316 -0.8316 -0.6944 -0.6944 -0.5236 -0.5236 -0.1915 -0.1915 -0.1480 -0.1480 -0.0841 -0.0841 -0.0071 -0.0071 0.1660 0.1660 0.3951 0.3951 3.6113 3.6113 4.2489 4.2489 5.4226 5.4226 6.3009 6.3009 6.5277 6.5277 7.0317 7.0317 9.3905 9.3905 10.5725 10.5725 11.3052 11.3052 12.3925 12.3925 k = 0.4146 0.2394-0.0000 ( 3654 PWs) bands (ev): -27.0457 -27.0457 -9.9096 -9.9096 -8.8179 -8.8179 -8.7435 -8.7435 -2.5673 -2.5673 -2.4834 -2.4834 -0.8467 -0.8467 -0.8305 -0.8305 -0.6890 -0.6890 -0.5171 -0.5171 -0.1912 -0.1912 -0.1508 -0.1508 -0.0837 -0.0837 -0.0000 -0.0000 0.1820 0.1820 0.3935 0.3935 3.5499 3.5499 4.2339 4.2339 5.4538 5.4538 6.2846 6.2846 6.4711 6.4711 7.0121 7.0121 9.3704 9.3704 10.6006 10.6006 11.2573 11.2573 12.4568 12.4568 k = 0.4268 0.2464-0.0000 ( 3652 PWs) bands (ev): -27.0456 -27.0456 -9.9104 -9.9104 -8.8193 -8.8193 -8.7437 -8.7437 -2.5593 -2.5593 -2.4821 -2.4821 -0.8458 -0.8458 -0.8296 -0.8296 -0.6844 -0.6844 -0.5113 -0.5113 -0.1909 -0.1909 -0.1536 -0.1536 -0.0835 -0.0835 0.0062 0.0062 0.1994 0.1994 0.3899 0.3899 3.4953 3.4953 4.2190 4.2190 5.4881 5.4881 6.2703 6.2703 6.4170 6.4170 6.9951 6.9951 9.3528 9.3528 10.6258 10.6258 11.2135 11.2135 12.5231 12.5231 k = 0.4390 0.2535-0.0000 ( 3652 PWs) bands (ev): -27.0455 -27.0455 -9.9110 -9.9110 -8.8206 -8.8206 -8.7438 -8.7438 -2.5527 -2.5527 -2.4808 -2.4808 -0.8451 -0.8451 -0.8289 -0.8289 -0.6805 -0.6805 -0.5063 -0.5063 -0.1906 -0.1906 -0.1562 -0.1562 -0.0833 -0.0833 0.0112 0.0112 0.2178 0.2178 0.3843 0.3843 3.4483 3.4483 4.2050 4.2050 5.5238 5.5238 6.2580 6.2580 6.3664 6.3664 6.9807 6.9807 9.3377 9.3377 10.6480 10.6480 11.1745 11.1745 12.5911 12.5911 k = 0.4512 0.2605-0.0000 ( 3640 PWs) bands (ev): -27.0454 -27.0454 -9.9116 -9.9116 -8.8217 -8.8217 -8.7439 -8.7439 -2.5475 -2.5475 -2.4795 -2.4795 -0.8445 -0.8445 -0.8283 -0.8283 -0.6772 -0.6772 -0.5020 -0.5020 -0.1902 -0.1902 -0.1585 -0.1585 -0.0832 -0.0832 0.0153 0.0153 0.2367 0.2367 0.3768 0.3768 3.4091 3.4091 4.1925 4.1925 5.5587 5.5587 6.2478 6.2478 6.3204 6.3204 6.9690 6.9690 9.3253 9.3253 10.6670 10.6670 11.1412 11.1412 12.6599 12.6599 k = 0.4634 0.2676-0.0000 ( 3636 PWs) bands (ev): -27.0453 -27.0453 -9.9120 -9.9120 -8.8225 -8.8225 -8.7440 -8.7440 -2.5435 -2.5435 -2.4783 -2.4783 -0.8440 -0.8440 -0.8278 -0.8278 -0.6747 -0.6747 -0.4986 -0.4986 -0.1898 -0.1898 -0.1606 -0.1606 -0.0832 -0.0832 0.0183 0.0183 0.2553 0.2553 0.3676 0.3676 3.3782 3.3782 4.1823 4.1823 5.5905 5.5905 6.2399 6.2399 6.2807 6.2807 6.9598 6.9598 9.3156 9.3156 10.6826 10.6826 11.1141 11.1141 12.7282 12.7282 k = 0.4756 0.2746-0.0000 ( 3634 PWs) bands (ev): -27.0453 -27.0453 -9.9123 -9.9123 -8.8231 -8.8231 -8.7440 -8.7440 -2.5408 -2.5408 -2.4774 -2.4774 -0.8437 -0.8437 -0.8275 -0.8275 -0.6728 -0.6728 -0.4962 -0.4962 -0.1895 -0.1895 -0.1621 -0.1621 -0.0831 -0.0831 0.0204 0.0204 0.2725 0.2725 0.3573 0.3573 3.3559 3.3559 4.1746 4.1746 5.6164 5.6164 6.2340 6.2340 6.2497 6.2497 6.9532 6.9532 9.3087 9.3087 10.6941 10.6941 11.0941 11.0941 12.7929 12.7929 k = 0.4878 0.2816-0.0000 ( 3630 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8235 -8.8235 -8.7441 -8.7441 -2.5392 -2.5392 -2.4768 -2.4768 -0.8435 -0.8435 -0.8273 -0.8273 -0.6717 -0.6717 -0.4947 -0.4947 -0.1893 -0.1893 -0.1631 -0.1631 -0.0831 -0.0831 0.0216 0.0216 0.2864 0.2864 0.3478 0.3478 3.3424 3.3424 4.1699 4.1699 5.6335 5.6335 6.2279 6.2279 6.2321 6.2321 6.9493 6.9493 9.3045 9.3045 10.7013 10.7013 11.0817 11.0817 12.8464 12.8464 k = 0.5000 0.2887-0.0000 ( 3626 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5387 -2.5387 -2.4766 -2.4766 -0.8434 -0.8434 -0.8273 -0.8273 -0.6714 -0.6714 -0.4942 -0.4942 -0.1892 -0.1892 -0.1634 -0.1634 -0.0831 -0.0831 0.0220 0.0220 0.2923 0.2923 0.3434 0.3434 3.3379 3.3379 4.1684 4.1684 5.6396 5.6396 6.2217 6.2217 6.2301 6.2301 6.9480 6.9480 9.3031 9.3031 10.7038 10.7038 11.0775 11.0775 12.8697 12.8697 k = 0.5000 0.2887-0.0000 ( 3626 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5387 -2.5387 -2.4766 -2.4766 -0.8434 -0.8434 -0.8273 -0.8273 -0.6714 -0.6714 -0.4942 -0.4942 -0.1892 -0.1892 -0.1634 -0.1634 -0.0831 -0.0831 0.0220 0.0220 0.2923 0.2923 0.3434 0.3434 3.3379 3.3379 4.1684 4.1684 5.6396 5.6396 6.2217 6.2217 6.2301 6.2301 6.9480 6.9480 9.3031 9.3031 10.7038 10.7038 11.0775 11.0775 12.8697 12.8697 k = 0.4931 0.3007-0.0000 ( 3630 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7442 -8.7442 -2.5385 -2.5385 -2.4765 -2.4765 -0.8436 -0.8436 -0.8270 -0.8270 -0.6716 -0.6716 -0.4940 -0.4940 -0.1892 -0.1892 -0.1633 -0.1633 -0.0831 -0.0831 0.0220 0.0220 0.2922 0.2922 0.3440 0.3440 3.3392 3.3392 4.1673 4.1673 5.6406 5.6406 6.2208 6.2208 6.2222 6.2222 6.9461 6.9461 9.3146 9.3146 10.7051 10.7051 11.0779 11.0779 12.8718 12.8718 k = 0.4861 0.3127-0.0000 ( 3640 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8233 -8.8233 -8.7446 -8.7446 -2.5380 -2.5380 -2.4763 -2.4763 -0.8443 -0.8443 -0.8262 -0.8262 -0.6723 -0.6723 -0.4931 -0.4931 -0.1891 -0.1891 -0.1628 -0.1628 -0.0832 -0.0832 0.0218 0.0218 0.2922 0.2922 0.3458 0.3458 3.3429 3.3429 4.1642 4.1642 5.6436 5.6436 6.1932 6.1932 6.2236 6.2236 6.9406 6.9406 9.3489 9.3489 10.7090 10.7090 11.0791 11.0791 12.8773 12.8773 k = 0.4792 0.3248-0.0000 ( 3632 PWs) bands (ev): -27.0452 -27.0452 -9.9127 -9.9127 -8.8230 -8.8230 -8.7452 -8.7452 -2.5371 -2.5371 -2.4760 -2.4760 -0.8452 -0.8452 -0.8250 -0.8250 -0.6734 -0.6734 -0.4918 -0.4918 -0.1889 -0.1889 -0.1621 -0.1621 -0.0832 -0.0832 0.0214 0.0214 0.2922 0.2922 0.3488 0.3488 3.3490 3.3490 4.1591 4.1591 5.6486 5.6486 6.1487 6.1487 6.2260 6.2260 6.9314 6.9314 9.4044 9.4044 10.7152 10.7152 11.0810 11.0810 12.8824 12.8824 k = 0.4722 0.3368-0.0000 ( 3636 PWs) bands (ev): -27.0452 -27.0452 -9.9127 -9.9127 -8.8226 -8.8226 -8.7460 -8.7460 -2.5360 -2.5360 -2.4755 -2.4755 -0.8463 -0.8463 -0.8235 -0.8235 -0.6750 -0.6750 -0.4900 -0.4900 -0.1887 -0.1887 -0.1611 -0.1611 -0.0832 -0.0832 0.0209 0.0209 0.2923 0.2923 0.3529 0.3529 3.3577 3.3577 4.1520 4.1520 5.6556 5.6556 6.0894 6.0894 6.2291 6.2291 6.9189 6.9189 9.4791 9.4791 10.7236 10.7236 11.0835 11.0835 12.8654 12.8654 k = 0.4653 0.3488-0.0000 ( 3648 PWs) bands (ev): -27.0452 -27.0452 -9.9128 -9.9128 -8.8220 -8.8220 -8.7471 -8.7471 -2.5345 -2.5345 -2.4749 -2.4749 -0.8476 -0.8476 -0.8218 -0.8218 -0.6769 -0.6769 -0.4877 -0.4877 -0.1882 -0.1882 -0.1600 -0.1600 -0.0832 -0.0832 0.0201 0.0201 0.2925 0.2925 0.3579 0.3579 3.3687 3.3687 4.1430 4.1430 5.6646 5.6646 6.0175 6.0175 6.2330 6.2330 6.9033 6.9033 9.5704 9.5704 10.7339 10.7339 11.0867 11.0867 12.7836 12.7836 k = 0.4583 0.3608-0.0000 ( 3642 PWs) bands (ev): -27.0451 -27.0451 -9.9129 -9.9129 -8.8213 -8.8213 -8.7484 -8.7484 -2.5328 -2.5328 -2.4741 -2.4741 -0.8488 -0.8488 -0.8199 -0.8199 -0.6790 -0.6790 -0.4851 -0.4851 -0.1874 -0.1874 -0.1587 -0.1587 -0.0831 -0.0831 0.0190 0.0190 0.2930 0.2930 0.3638 0.3638 3.3821 3.3821 4.1322 4.1322 5.6755 5.6755 5.9355 5.9355 6.2375 6.2375 6.8848 6.8848 9.6759 9.6759 10.7457 10.7457 11.0905 11.0905 12.6718 12.6718 k = 0.4514 0.3729-0.0000 ( 3638 PWs) bands (ev): -27.0451 -27.0451 -9.9131 -9.9131 -8.8206 -8.8206 -8.7499 -8.7499 -2.5309 -2.5309 -2.4732 -2.4732 -0.8501 -0.8501 -0.8179 -0.8179 -0.6815 -0.6815 -0.4822 -0.4822 -0.1863 -0.1863 -0.1573 -0.1573 -0.0830 -0.0830 0.0176 0.0176 0.2938 0.2938 0.3706 0.3706 3.3978 3.3978 4.1196 4.1196 5.6881 5.6881 5.8459 5.8459 6.2423 6.2423 6.8639 6.8639 9.7929 9.7929 10.7588 10.7588 11.0947 11.0947 12.5545 12.5545 k = 0.4444 0.3849-0.0000 ( 3632 PWs) bands (ev): -27.0450 -27.0450 -9.9132 -9.9132 -8.8197 -8.8197 -8.7515 -8.7515 -2.5288 -2.5288 -2.4721 -2.4721 -0.8514 -0.8514 -0.8159 -0.8159 -0.6840 -0.6840 -0.4791 -0.4791 -0.1848 -0.1848 -0.1558 -0.1558 -0.0828 -0.0828 0.0158 0.0158 0.2948 0.2948 0.3781 0.3781 3.4157 3.4157 4.1054 4.1054 5.7012 5.7012 5.7520 5.7520 6.2474 6.2474 6.8409 6.8409 9.9189 9.9189 10.7727 10.7727 11.0992 11.0992 12.4374 12.4374 k = 0.4375 0.3969-0.0000 ( 3636 PWs) bands (ev): -27.0450 -27.0450 -9.9134 -9.9134 -8.8187 -8.8187 -8.7534 -8.7534 -2.5266 -2.5266 -2.4710 -2.4710 -0.8526 -0.8526 -0.8138 -0.8138 -0.6868 -0.6868 -0.4759 -0.4759 -0.1831 -0.1831 -0.1542 -0.1542 -0.0826 -0.0826 0.0136 0.0136 0.2961 0.2961 0.3862 0.3862 3.4358 3.4358 4.0898 4.0898 5.6483 5.6483 5.7222 5.7222 6.2526 6.2526 6.8162 6.8162 10.0516 10.0516 10.7874 10.7874 11.1039 11.1039 12.3229 12.3229 k = 0.4306 0.4090-0.0000 ( 3654 PWs) bands (ev): -27.0450 -27.0450 -9.9135 -9.9135 -8.8176 -8.8176 -8.7554 -8.7554 -2.5242 -2.5242 -2.4697 -2.4697 -0.8537 -0.8537 -0.8117 -0.8117 -0.6896 -0.6896 -0.4726 -0.4726 -0.1811 -0.1811 -0.1525 -0.1525 -0.0823 -0.0823 0.0109 0.0109 0.2976 0.2976 0.3948 0.3948 3.4580 3.4580 4.0728 4.0728 5.5478 5.5478 5.7398 5.7398 6.2574 6.2574 6.7902 6.7902 10.1888 10.1888 10.8026 10.8026 11.1087 11.1087 12.2124 12.2124 k = 0.4236 0.4210-0.0000 ( 3650 PWs) bands (ev): -27.0449 -27.0449 -9.9137 -9.9137 -8.8164 -8.8164 -8.7575 -8.7575 -2.5219 -2.5219 -2.4682 -2.4682 -0.8547 -0.8547 -0.8096 -0.8096 -0.6924 -0.6924 -0.4692 -0.4692 -0.1789 -0.1789 -0.1505 -0.1505 -0.0820 -0.0820 0.0079 0.0079 0.2995 0.2995 0.4038 0.4038 3.4822 3.4822 4.0547 4.0547 5.4458 5.4458 5.7599 5.7599 6.2618 6.2618 6.7634 6.7634 10.3282 10.3282 10.8185 10.8185 11.1134 11.1134 12.1074 12.1074 k = 0.4167 0.4330-0.0000 ( 3658 PWs) bands (ev): -27.0449 -27.0449 -9.9139 -9.9139 -8.8152 -8.8152 -8.7597 -8.7597 -2.5195 -2.5195 -2.4667 -2.4667 -0.8557 -0.8557 -0.8075 -0.8075 -0.6952 -0.6952 -0.4659 -0.4659 -0.1766 -0.1766 -0.1481 -0.1481 -0.0816 -0.0816 0.0044 0.0044 0.3015 0.3015 0.4131 0.4131 3.5081 3.5081 4.0356 4.0356 5.3443 5.3443 5.7819 5.7819 6.2654 6.2654 6.7361 6.7361 10.4674 10.4674 10.8352 10.8352 11.1177 11.1177 12.0091 12.0091 k = 0.4097 0.4450-0.0000 ( 3658 PWs) bands (ev): -27.0448 -27.0448 -9.9141 -9.9141 -8.8138 -8.8138 -8.7620 -8.7620 -2.5172 -2.5172 -2.4650 -2.4650 -0.8566 -0.8566 -0.8054 -0.8054 -0.6980 -0.6980 -0.4627 -0.4627 -0.1744 -0.1744 -0.1453 -0.1453 -0.0811 -0.0811 0.0006 0.0006 0.3038 0.3038 0.4226 0.4226 3.5355 3.5355 4.0158 4.0158 5.2446 5.2446 5.8057 5.8057 6.2678 6.2678 6.7087 6.7087 10.6029 10.6029 10.8536 10.8536 11.1217 11.1217 11.9192 11.9192 k = 0.4028 0.4571-0.0000 ( 3662 PWs) bands (ev): -27.0447 -27.0447 -9.9143 -9.9143 -8.8125 -8.8125 -8.7643 -8.7643 -2.5150 -2.5150 -2.4632 -2.4632 -0.8574 -0.8574 -0.8034 -0.8034 -0.7006 -0.7006 -0.4596 -0.4596 -0.1725 -0.1725 -0.1420 -0.1420 -0.0806 -0.0806 -0.0034 -0.0034 0.3062 0.3062 0.4320 0.4320 3.5643 3.5643 3.9956 3.9956 5.1478 5.1478 5.8310 5.8310 6.2689 6.2689 6.6815 6.6815 10.7289 10.7289 10.8765 10.8765 11.1251 11.1251 11.8397 11.8397 k = 0.3958 0.4691-0.0000 ( 3662 PWs) bands (ev): -27.0447 -27.0447 -9.9145 -9.9145 -8.8111 -8.8111 -8.7667 -8.7667 -2.5129 -2.5129 -2.4614 -2.4614 -0.8580 -0.8580 -0.8014 -0.8014 -0.7031 -0.7031 -0.4567 -0.4567 -0.1708 -0.1708 -0.1382 -0.1382 -0.0801 -0.0801 -0.0078 -0.0078 0.3087 0.3087 0.4412 0.4412 3.5941 3.5941 3.9751 3.9751 5.0550 5.0550 5.8579 5.8579 6.2682 6.2682 6.6550 6.6550 10.8275 10.8275 10.9175 10.9175 11.1284 11.1284 11.7741 11.7741 k = 0.3889 0.4811-0.0000 ( 3666 PWs) bands (ev): -27.0446 -27.0446 -9.9147 -9.9147 -8.8096 -8.8096 -8.7690 -8.7690 -2.5110 -2.5110 -2.4596 -2.4596 -0.8586 -0.8586 -0.7996 -0.7996 -0.7054 -0.7054 -0.4540 -0.4540 -0.1694 -0.1694 -0.1339 -0.1339 -0.0795 -0.0795 -0.0122 -0.0122 0.3114 0.3114 0.4500 0.4500 3.6245 3.6245 3.9547 3.9547 4.9672 4.9672 5.8861 5.8861 6.2654 6.2654 6.6295 6.6295 10.8754 10.8754 10.9922 10.9922 11.1332 11.1332 11.7273 11.7273 k = 0.3819 0.4932-0.0000 ( 3666 PWs) bands (ev): -27.0446 -27.0446 -9.9149 -9.9149 -8.8082 -8.8082 -8.7712 -8.7712 -2.5093 -2.5093 -2.4577 -2.4577 -0.8591 -0.8591 -0.7978 -0.7978 -0.7075 -0.7075 -0.4514 -0.4514 -0.1684 -0.1684 -0.1293 -0.1293 -0.0789 -0.0789 -0.0167 -0.0167 0.3142 0.3142 0.4583 0.4583 3.6548 3.6548 3.9347 3.9347 4.8854 4.8854 5.9156 5.9156 6.2603 6.2603 6.6053 6.6053 10.9016 10.9016 11.0580 11.0580 11.1450 11.1450 11.7068 11.7068 k = 0.3750 0.5052-0.0000 ( 3666 PWs) bands (ev): -27.0446 -27.0446 -9.9151 -9.9151 -8.8068 -8.8068 -8.7734 -8.7734 -2.5079 -2.5079 -2.4559 -2.4559 -0.8595 -0.8595 -0.7962 -0.7962 -0.7094 -0.7094 -0.4491 -0.4491 -0.1677 -0.1677 -0.1246 -0.1246 -0.0784 -0.0784 -0.0212 -0.0212 0.3169 0.3169 0.4658 0.4658 3.6845 3.6845 3.9156 3.9156 4.8109 4.8109 5.9462 5.9462 6.2525 6.2525 6.5828 6.5828 10.9239 10.9239 11.0854 11.0854 11.1673 11.1673 11.7196 11.7196 k = 0.3681 0.5172-0.0000 ( 3658 PWs) bands (ev): -27.0445 -27.0445 -9.9153 -9.9153 -8.8055 -8.8055 -8.7754 -8.7754 -2.5066 -2.5066 -2.4543 -2.4543 -0.8599 -0.8599 -0.7948 -0.7948 -0.7110 -0.7110 -0.4471 -0.4471 -0.1671 -0.1671 -0.1200 -0.1200 -0.0777 -0.0777 -0.0255 -0.0255 0.3196 0.3196 0.4724 0.4724 3.7127 3.7127 3.8977 3.8977 4.7448 4.7448 5.9777 5.9777 6.2418 6.2418 6.5623 6.5623 10.9459 10.9459 11.0890 11.0890 11.1811 11.1811 11.7660 11.7660 k = 0.3611 0.5292-0.0000 ( 3658 PWs) bands (ev): -27.0445 -27.0445 -9.9154 -9.9154 -8.8043 -8.8043 -8.7772 -8.7772 -2.5055 -2.5055 -2.4528 -2.4528 -0.8601 -0.8601 -0.7936 -0.7936 -0.7123 -0.7123 -0.4454 -0.4454 -0.1668 -0.1668 -0.1158 -0.1158 -0.0770 -0.0770 -0.0295 -0.0295 0.3221 0.3221 0.4780 0.4780 3.7381 3.7381 3.8816 3.8816 4.6883 4.6883 6.0099 6.0099 6.2280 6.2280 6.5443 6.5443 10.9685 10.9685 11.0846 11.0846 11.1780 11.1780 11.8363 11.8363 k = 0.3542 0.5413-0.0000 ( 3654 PWs) bands (ev): -27.0445 -27.0445 -9.9156 -9.9156 -8.8033 -8.8033 -8.7787 -8.7787 -2.5047 -2.5047 -2.4515 -2.4515 -0.8603 -0.8603 -0.7926 -0.7926 -0.7133 -0.7133 -0.4440 -0.4440 -0.1666 -0.1666 -0.1123 -0.1123 -0.0762 -0.0762 -0.0329 -0.0329 0.3244 0.3244 0.4824 0.4824 3.7593 3.7593 3.8682 3.8682 4.6429 4.6429 6.0423 6.0423 6.2108 6.2108 6.5293 6.5293 10.9921 10.9921 11.0776 11.0776 11.1636 11.1636 11.9183 11.9183 k = 0.3472 0.5533-0.0000 ( 3656 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8025 -8.8025 -8.7798 -8.7798 -2.5041 -2.5041 -2.4506 -2.4506 -0.8604 -0.8604 -0.7918 -0.7918 -0.7140 -0.7140 -0.4429 -0.4429 -0.1665 -0.1665 -0.1097 -0.1097 -0.0755 -0.0755 -0.0357 -0.0357 0.3263 0.3263 0.4855 0.4855 3.7746 3.7746 3.8586 3.8586 4.6097 4.6097 6.0746 6.0746 6.1901 6.1901 6.5176 6.5176 11.0164 11.0164 11.0704 11.0704 11.1434 11.1434 12.0022 12.0022 k = 0.3403 0.5653-0.0000 ( 3656 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8020 -8.8020 -8.7806 -8.7806 -2.5037 -2.5037 -2.4500 -2.4500 -0.8605 -0.8605 -0.7914 -0.7914 -0.7145 -0.7145 -0.4422 -0.4422 -0.1665 -0.1665 -0.1081 -0.1081 -0.0749 -0.0749 -0.0374 -0.0374 0.3276 0.3276 0.4874 0.4874 3.7829 3.7829 3.8536 3.8536 4.5896 4.5896 6.1061 6.1061 6.1661 6.1661 6.5102 6.5102 11.0398 11.0398 11.0648 11.0648 11.1221 11.1221 12.0802 12.0802 k = 0.3333 0.5774-0.0000 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5036 -2.5036 -2.4498 -2.4498 -0.8605 -0.8605 -0.7912 -0.7912 -0.7146 -0.7146 -0.4420 -0.4420 -0.1665 -0.1665 -0.1076 -0.1076 -0.0747 -0.0747 -0.0380 -0.0380 0.3280 0.3280 0.4880 0.4880 3.7850 3.7850 3.8524 3.8524 4.5829 4.5829 6.1309 6.1309 6.1439 6.1439 6.5075 6.5075 11.0531 11.0531 11.0621 11.0621 11.1099 11.1099 12.1307 12.1307 k = 0.3333 0.5774-0.0000 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5036 -2.5036 -2.4498 -2.4498 -0.8605 -0.8605 -0.7912 -0.7912 -0.7146 -0.7146 -0.4420 -0.4420 -0.1665 -0.1665 -0.1076 -0.1076 -0.0747 -0.0747 -0.0380 -0.0380 0.3280 0.3280 0.4880 0.4880 3.7850 3.7850 3.8524 3.8524 4.5829 4.5829 6.1309 6.1309 6.1439 6.1439 6.5075 6.5075 11.0531 11.0531 11.0621 11.0621 11.1099 11.1099 12.1307 12.1307 k = 0.3264 0.5653-0.0000 ( 3656 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8020 -8.8020 -8.7806 -8.7806 -2.5038 -2.5038 -2.4500 -2.4500 -0.8605 -0.8605 -0.7914 -0.7914 -0.7145 -0.7145 -0.4423 -0.4423 -0.1665 -0.1665 -0.1081 -0.1081 -0.0749 -0.0749 -0.0374 -0.0374 0.3275 0.3275 0.4874 0.4874 3.7840 3.7840 3.8528 3.8528 4.5893 4.5893 6.1052 6.1052 6.1669 6.1669 6.5104 6.5104 11.0381 11.0381 11.0650 11.0650 11.1239 11.1239 12.0865 12.0865 k = 0.3194 0.5533-0.0000 ( 3654 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8024 -8.8024 -8.7799 -8.7799 -2.5041 -2.5041 -2.4507 -2.4507 -0.8604 -0.8604 -0.7918 -0.7918 -0.7141 -0.7141 -0.4430 -0.4430 -0.1664 -0.1664 -0.1094 -0.1094 -0.0756 -0.0756 -0.0359 -0.0359 0.3256 0.3256 0.4859 0.4859 3.7826 3.7826 3.8535 3.8535 4.6078 4.6078 6.0705 6.0705 6.1928 6.1928 6.5196 6.5196 11.0079 11.0079 11.0726 11.0726 11.1525 11.1525 12.0261 12.0261 k = 0.3125 0.5413-0.0000 ( 3654 PWs) bands (ev): -27.0445 -27.0445 -9.9155 -9.9155 -8.8029 -8.8029 -8.7790 -8.7790 -2.5048 -2.5048 -2.4519 -2.4519 -0.8604 -0.8604 -0.7926 -0.7926 -0.7136 -0.7136 -0.4444 -0.4444 -0.1663 -0.1663 -0.1114 -0.1114 -0.0766 -0.0766 -0.0338 -0.0338 0.3221 0.3221 0.4835 0.4835 3.7826 3.7826 3.8543 3.8543 4.6369 4.6369 6.0325 6.0325 6.2161 6.2161 6.5354 6.5354 10.9720 10.9720 11.0856 11.0856 11.1860 11.1860 11.9651 11.9651 k = 0.3056 0.5292-0.0000 ( 3654 PWs) bands (ev): -27.0445 -27.0445 -9.9153 -9.9153 -8.8036 -8.8036 -8.7778 -8.7778 -2.5059 -2.5059 -2.4535 -2.4535 -0.8603 -0.8603 -0.7936 -0.7936 -0.7129 -0.7129 -0.4463 -0.4463 -0.1662 -0.1662 -0.1139 -0.1139 -0.0779 -0.0779 -0.0313 -0.0313 0.3167 0.3167 0.4805 0.4805 3.7851 3.7851 3.8559 3.8559 4.6749 4.6749 5.9915 5.9915 6.2368 6.2368 6.5579 6.5579 10.9325 10.9325 11.1041 11.1041 11.2223 11.2223 11.9049 11.9049 k = 0.2986 0.5172-0.0000 ( 3660 PWs) bands (ev): -27.0445 -27.0445 -9.9151 -9.9151 -8.8042 -8.8042 -8.7764 -8.7764 -2.5074 -2.5074 -2.4556 -2.4556 -0.8602 -0.8602 -0.7949 -0.7949 -0.7122 -0.7122 -0.4489 -0.4489 -0.1659 -0.1659 -0.1168 -0.1168 -0.0792 -0.0792 -0.0288 -0.0288 0.3093 0.3093 0.4772 0.4772 3.7907 3.7907 3.8593 3.8593 4.7202 4.7202 5.9481 5.9481 6.2551 6.2551 6.5866 6.5866 10.8902 10.8902 11.1279 11.1279 11.2604 11.2604 11.8458 11.8458 k = 0.2917 0.5052-0.0000 ( 3660 PWs) bands (ev): -27.0446 -27.0446 -9.9148 -9.9148 -8.8048 -8.8048 -8.7749 -8.7749 -2.5093 -2.5093 -2.4581 -2.4581 -0.8601 -0.8601 -0.7964 -0.7964 -0.7115 -0.7115 -0.4522 -0.4522 -0.1656 -0.1656 -0.1200 -0.1200 -0.0805 -0.0805 -0.0264 -0.0264 0.2998 0.2998 0.4737 0.4737 3.7997 3.7997 3.8655 3.8655 4.7713 4.7713 5.9028 5.9028 6.2719 6.2719 6.6207 6.6207 10.8455 10.8455 11.1566 11.1566 11.2998 11.2998 11.7882 11.7882 k = 0.2847 0.4932-0.0000 ( 3664 PWs) bands (ev): -27.0447 -27.0447 -9.9144 -9.9144 -8.8052 -8.8052 -8.7733 -8.7733 -2.5119 -2.5119 -2.4609 -2.4609 -0.8601 -0.8601 -0.7981 -0.7981 -0.7109 -0.7109 -0.4562 -0.4562 -0.1651 -0.1651 -0.1233 -0.1233 -0.0817 -0.0817 -0.0244 -0.0244 0.2882 0.2882 0.4701 0.4701 3.8126 3.8126 3.8750 3.8750 4.8271 4.8271 5.8562 5.8562 6.2881 6.2881 6.6594 6.6594 10.7990 10.7990 11.1894 11.1894 11.3398 11.3398 11.7328 11.7328 k = 0.2778 0.4811-0.0000 ( 3660 PWs) bands (ev): -27.0448 -27.0448 -9.9139 -9.9139 -8.8056 -8.8056 -8.7716 -8.7716 -2.5152 -2.5152 -2.4639 -2.4639 -0.8601 -0.8601 -0.8000 -0.8000 -0.7104 -0.7104 -0.4609 -0.4609 -0.1645 -0.1645 -0.1267 -0.1267 -0.0829 -0.0829 -0.0228 -0.0228 0.2747 0.2747 0.4664 0.4664 3.8294 3.8294 3.8882 3.8882 4.8864 4.8864 5.8091 5.8091 6.3044 6.3044 6.7018 6.7018 10.7511 10.7511 11.2255 11.2255 11.3786 11.3786 11.6810 11.6810 k = 0.2708 0.4691-0.0000 ( 3662 PWs) bands (ev): -27.0449 -27.0449 -9.9134 -9.9134 -8.8058 -8.8058 -8.7699 -8.7699 -2.5195 -2.5195 -2.4670 -2.4670 -0.8601 -0.8601 -0.8021 -0.8021 -0.7102 -0.7102 -0.4663 -0.4663 -0.1638 -0.1638 -0.1301 -0.1301 -0.0839 -0.0839 -0.0217 -0.0217 0.2597 0.2597 0.4625 0.4625 3.8503 3.8503 3.9055 3.9055 4.9480 4.9480 5.7625 5.7625 6.3217 6.3217 6.7471 6.7471 10.7022 10.7022 11.2634 11.2634 11.4129 11.4129 11.6360 11.6360 k = 0.2639 0.4571-0.0000 ( 3662 PWs) bands (ev): -27.0450 -27.0450 -9.9127 -9.9127 -8.8058 -8.8058 -8.7682 -8.7682 -2.5249 -2.5249 -2.4699 -2.4699 -0.8602 -0.8602 -0.8043 -0.8043 -0.7103 -0.7103 -0.4725 -0.4725 -0.1631 -0.1631 -0.1333 -0.1333 -0.0848 -0.0848 -0.0212 -0.0212 0.2435 0.2435 0.4583 0.4583 3.8750 3.8750 3.9270 3.9270 5.0106 5.0106 5.7177 5.7177 6.3403 6.3403 6.7949 6.7949 10.6528 10.6528 11.3014 11.3014 11.4343 11.4343 11.6064 11.6064 k = 0.2569 0.4450-0.0000 ( 3670 PWs) bands (ev): -27.0451 -27.0451 -9.9120 -9.9120 -8.8057 -8.8057 -8.7664 -8.7664 -2.5315 -2.5315 -2.4727 -2.4727 -0.8603 -0.8603 -0.8066 -0.8066 -0.7108 -0.7108 -0.4794 -0.4794 -0.1626 -0.1626 -0.1363 -0.1363 -0.0856 -0.0856 -0.0215 -0.0215 0.2266 0.2266 0.4538 0.4538 3.9034 3.9034 3.9528 3.9528 5.0728 5.0728 5.6765 5.6765 6.3608 6.3608 6.8446 6.8446 10.6033 10.6033 11.3364 11.3364 11.4306 11.4306 11.6047 11.6047 k = 0.2500 0.4330-0.0000 ( 3666 PWs) bands (ev): -27.0452 -27.0452 -9.9113 -9.9113 -8.8054 -8.8054 -8.7647 -8.7647 -2.5394 -2.5394 -2.4752 -2.4752 -0.8605 -0.8605 -0.8090 -0.8090 -0.7116 -0.7116 -0.4870 -0.4870 -0.1624 -0.1624 -0.1388 -0.1388 -0.0863 -0.0863 -0.0225 -0.0225 0.2096 0.2096 0.4488 0.4488 3.9348 3.9348 3.9831 3.9831 5.1321 5.1321 5.6417 5.6417 6.3835 6.3835 6.8959 6.8959 10.5539 10.5539 11.3585 11.3585 11.4115 11.4115 11.6287 11.6287 k = 0.2431 0.4210-0.0000 ( 3658 PWs) bands (ev): -27.0454 -27.0454 -9.9104 -9.9104 -8.8049 -8.8049 -8.7629 -8.7629 -2.5486 -2.5486 -2.4774 -2.4774 -0.8607 -0.8607 -0.8115 -0.8115 -0.7131 -0.7131 -0.4951 -0.4951 -0.1628 -0.1628 -0.1406 -0.1406 -0.0870 -0.0870 -0.0242 -0.0242 0.1929 0.1929 0.4432 0.4432 3.9681 3.9681 4.0183 4.0183 5.1853 5.1853 5.6171 5.6171 6.4085 6.4085 6.9485 6.9485 10.5051 10.5051 11.3391 11.3391 11.4162 11.4162 11.6644 11.6644 k = 0.2361 0.4090-0.0000 ( 3658 PWs) bands (ev): -27.0455 -27.0455 -9.9095 -9.9095 -8.8043 -8.8043 -8.7611 -8.7611 -2.5592 -2.5592 -2.4793 -2.4793 -0.8611 -0.8611 -0.8140 -0.8140 -0.7150 -0.7150 -0.5038 -0.5038 -0.1640 -0.1640 -0.1414 -0.1414 -0.0879 -0.0879 -0.0266 -0.0266 0.1769 0.1769 0.4369 0.4369 4.0019 4.0019 4.0589 4.0589 5.2277 5.2277 5.6082 5.6082 6.4361 6.4361 7.0022 7.0022 10.4570 10.4570 11.2963 11.2963 11.4314 11.4314 11.7036 11.7036 k = 0.2292 0.3969-0.0000 ( 3667 PWs) bands (ev): -27.0457 -27.0457 -9.9085 -9.9085 -8.8035 -8.8035 -8.7593 -8.7593 -2.5710 -2.5710 -2.4810 -2.4810 -0.8616 -0.8616 -0.8166 -0.8166 -0.7177 -0.7177 -0.5129 -0.5129 -0.1661 -0.1661 -0.1414 -0.1414 -0.0891 -0.0891 -0.0295 -0.0295 0.1620 0.1620 0.4299 0.4299 4.0347 4.0347 4.1052 4.1052 5.2552 5.2552 5.6199 5.6199 6.4664 6.4664 7.0566 7.0566 10.4099 10.4099 11.2485 11.2485 11.4393 11.4393 11.7424 11.7424 k = 0.2222 0.3849-0.0000 ( 3675 PWs) bands (ev): -27.0459 -27.0459 -9.9074 -9.9074 -8.8026 -8.8026 -8.7574 -8.7574 -2.5840 -2.5840 -2.4824 -2.4824 -0.8622 -0.8622 -0.8192 -0.8192 -0.7210 -0.7210 -0.5224 -0.5224 -0.1688 -0.1688 -0.1406 -0.1406 -0.0908 -0.0908 -0.0327 -0.0327 0.1485 0.1485 0.4223 0.4223 4.0652 4.0652 4.1571 4.1571 5.2683 5.2683 5.6530 5.6530 6.4994 6.4994 7.1117 7.1117 10.3640 10.3640 11.1991 11.1991 11.4367 11.4367 11.7784 11.7784 k = 0.2153 0.3729-0.0000 ( 3685 PWs) bands (ev): -27.0461 -27.0461 -9.9063 -9.9063 -8.8016 -8.8016 -8.7556 -8.7556 -2.5982 -2.5982 -2.4837 -2.4837 -0.8629 -0.8629 -0.8218 -0.8218 -0.7251 -0.7251 -0.5320 -0.5320 -0.1720 -0.1720 -0.1394 -0.1394 -0.0935 -0.0935 -0.0356 -0.0356 0.1366 0.1366 0.4139 0.4139 4.0921 4.0921 4.2143 4.2143 5.2728 5.2728 5.7030 5.7030 6.5354 6.5354 7.1672 7.1672 10.3194 10.3194 11.1490 11.1490 11.4234 11.4234 11.8098 11.8098 k = 0.2083 0.3608-0.0000 ( 3681 PWs) bands (ev): -27.0463 -27.0463 -9.9051 -9.9051 -8.8005 -8.8005 -8.7536 -8.7536 -2.6134 -2.6134 -2.4849 -2.4849 -0.8637 -0.8637 -0.8243 -0.8243 -0.7299 -0.7299 -0.5417 -0.5417 -0.1755 -0.1755 -0.1379 -0.1379 -0.0973 -0.0973 -0.0378 -0.0378 0.1262 0.1262 0.4049 0.4049 4.1140 4.1140 4.2765 4.2765 5.2761 5.2761 5.7639 5.7639 6.5742 6.5742 7.2230 7.2230 10.2762 10.2762 11.0983 11.0983 11.4006 11.4006 11.8345 11.8345 k = 0.2014 0.3488-0.0000 ( 3681 PWs) bands (ev): -27.0465 -27.0465 -9.9039 -9.9039 -8.7993 -8.7993 -8.7517 -8.7517 -2.6296 -2.6296 -2.4860 -2.4860 -0.8647 -0.8647 -0.8269 -0.8269 -0.7355 -0.7355 -0.5513 -0.5513 -0.1792 -0.1792 -0.1363 -0.1363 -0.1024 -0.1024 -0.0389 -0.0389 0.1174 0.1174 0.3952 0.3952 4.1296 4.1296 4.3434 4.3434 5.2839 5.2839 5.8312 5.8312 6.6160 6.6160 7.2789 7.2789 10.2345 10.2345 11.0470 11.0470 11.3701 11.3701 11.8510 11.8510 k = 0.1944 0.3368-0.0000 ( 3687 PWs) bands (ev): -27.0467 -27.0467 -9.9025 -9.9025 -8.7980 -8.7980 -8.7496 -8.7496 -2.6467 -2.6467 -2.4870 -2.4870 -0.8658 -0.8658 -0.8294 -0.8294 -0.7419 -0.7419 -0.5607 -0.5607 -0.1829 -0.1829 -0.1350 -0.1350 -0.1086 -0.1086 -0.0388 -0.0388 0.1099 0.1099 0.3850 0.3850 4.1377 4.1377 4.4147 4.4147 5.3000 5.3000 5.9021 5.9021 6.6606 6.6606 7.3347 7.3347 10.1943 10.1943 10.9946 10.9946 11.3341 11.3341 11.8581 11.8581 k = 0.1875 0.3248-0.0000 ( 3689 PWs) bands (ev): -27.0469 -27.0469 -9.9012 -9.9012 -8.7967 -8.7967 -8.7475 -8.7475 -2.6646 -2.6646 -2.4879 -2.4879 -0.8671 -0.8671 -0.8319 -0.8319 -0.7490 -0.7490 -0.5699 -0.5699 -0.1867 -0.1867 -0.1342 -0.1342 -0.1151 -0.1151 -0.0374 -0.0374 0.1036 0.1036 0.3743 0.3743 4.1376 4.1376 4.4902 4.4902 5.3268 5.3268 5.9747 5.9747 6.7082 6.7082 7.3903 7.3903 10.1554 10.1554 10.9409 10.9409 11.2943 11.2943 11.8551 11.8551 k = 0.1806 0.3127-0.0000 ( 3693 PWs) bands (ev): -27.0472 -27.0472 -9.8998 -9.8998 -8.7954 -8.7954 -8.7453 -8.7453 -2.6832 -2.6832 -2.4888 -2.4888 -0.8685 -0.8685 -0.8343 -0.8343 -0.7567 -0.7567 -0.5787 -0.5787 -0.1904 -0.1904 -0.1352 -0.1352 -0.1206 -0.1206 -0.0350 -0.0350 0.0981 0.0981 0.3632 0.3632 4.1293 4.1293 4.5697 4.5697 5.3651 5.3651 6.0478 6.0478 6.7587 6.7587 7.4455 7.4455 10.1177 10.1177 10.8853 10.8853 11.2526 11.2526 11.8426 11.8426 k = 0.1736 0.3007-0.0000 ( 3693 PWs) bands (ev): -27.0474 -27.0474 -9.8984 -9.8984 -8.7940 -8.7940 -8.7429 -8.7429 -2.7024 -2.7024 -2.4897 -2.4897 -0.8702 -0.8702 -0.8367 -0.8367 -0.7649 -0.7649 -0.5871 -0.5871 -0.1942 -0.1942 -0.1393 -0.1393 -0.1231 -0.1231 -0.0317 -0.0317 0.0935 0.0935 0.3518 0.3518 4.1134 4.1134 4.6530 4.6530 5.4149 5.4149 6.1207 6.1207 6.8120 6.8120 7.5001 7.5001 10.0810 10.0810 10.8273 10.8273 11.2103 11.2103 11.8218 11.8218 k = 0.1667 0.2887-0.0000 ( 3691 PWs) bands (ev): -27.0477 -27.0477 -9.8970 -9.8970 -8.7927 -8.7927 -8.7405 -8.7405 -2.7221 -2.7221 -2.4906 -2.4906 -0.8720 -0.8720 -0.8390 -0.8390 -0.7735 -0.7735 -0.5950 -0.5950 -0.1978 -0.1978 -0.1458 -0.1458 -0.1234 -0.1234 -0.0278 -0.0278 0.0894 0.0894 0.3402 0.3402 4.0908 4.0908 4.7399 4.7399 5.4758 5.4758 6.1926 6.1926 6.8680 6.8680 7.5540 7.5540 10.0450 10.0450 10.7662 10.7662 11.1687 11.1687 11.7950 11.7950 k = 0.1597 0.2766-0.0000 ( 3695 PWs) bands (ev): -27.0479 -27.0479 -9.8955 -9.8955 -8.7915 -8.7915 -8.7380 -8.7380 -2.7423 -2.7423 -2.4915 -2.4915 -0.8740 -0.8740 -0.8412 -0.8412 -0.7823 -0.7823 -0.6025 -0.6025 -0.2014 -0.2014 -0.1530 -0.1530 -0.1228 -0.1228 -0.0233 -0.0233 0.0858 0.0858 0.3284 0.3284 4.0626 4.0626 4.8302 4.8302 5.5468 5.5468 6.2629 6.2629 6.9267 6.9267 7.6070 7.6070 10.0093 10.0093 10.7013 10.7013 11.1289 11.1289 11.7644 11.7644 k = 0.1528 0.2646-0.0000 ( 3693 PWs) bands (ev): -27.0482 -27.0482 -9.8941 -9.8941 -8.7903 -8.7903 -8.7354 -8.7354 -2.7627 -2.7627 -2.4924 -2.4924 -0.8762 -0.8762 -0.8435 -0.8435 -0.7912 -0.7912 -0.6095 -0.6095 -0.2049 -0.2049 -0.1600 -0.1600 -0.1220 -0.1220 -0.0185 -0.0185 0.0824 0.0824 0.3166 0.3166 4.0301 4.0301 4.9237 4.9237 5.6267 5.6267 6.3314 6.3314 6.9879 6.9879 7.6588 7.6588 9.9735 9.9735 10.6320 10.6320 11.0917 11.0917 11.7326 11.7326 k = 0.1458 0.2526-0.0000 ( 3701 PWs) bands (ev): -27.0484 -27.0484 -9.8927 -9.8927 -8.7891 -8.7891 -8.7326 -8.7326 -2.7834 -2.7834 -2.4934 -2.4934 -0.8785 -0.8785 -0.8459 -0.8459 -0.7999 -0.7999 -0.6161 -0.6161 -0.2083 -0.2083 -0.1667 -0.1667 -0.1214 -0.1214 -0.0133 -0.0133 0.0794 0.0794 0.3050 0.3050 3.9944 3.9944 5.0203 5.0203 5.7146 5.7146 6.3975 6.3975 7.0515 7.0515 7.7094 7.7094 9.9372 9.9372 10.5580 10.5580 11.0576 11.0576 11.7016 11.7016 k = 0.1389 0.2406-0.0000 ( 3693 PWs) bands (ev): -27.0486 -27.0486 -9.8912 -9.8912 -8.7881 -8.7881 -8.7298 -8.7298 -2.8040 -2.8040 -2.4943 -2.4943 -0.8810 -0.8810 -0.8485 -0.8485 -0.8080 -0.8080 -0.6222 -0.6222 -0.2115 -0.2115 -0.1728 -0.1728 -0.1208 -0.1208 -0.0080 -0.0080 0.0765 0.0765 0.2935 0.2935 3.9565 3.9565 5.1196 5.1196 5.8095 5.8095 6.4609 6.4609 7.1174 7.1174 7.7585 7.7585 9.8998 9.8998 10.4789 10.4789 11.0271 11.0271 11.6730 11.6730 k = 0.1319 0.2285-0.0000 ( 3693 PWs) bands (ev): -27.0489 -27.0489 -9.8898 -9.8898 -8.7871 -8.7871 -8.7269 -8.7269 -2.8247 -2.8247 -2.4953 -2.4953 -0.8837 -0.8837 -0.8516 -0.8516 -0.8154 -0.8154 -0.6279 -0.6279 -0.2144 -0.2144 -0.1783 -0.1783 -0.1205 -0.1205 -0.0026 -0.0026 0.0737 0.0737 0.2822 0.2822 3.9173 3.9173 5.2216 5.2216 5.9105 5.9105 6.5213 6.5213 7.1852 7.1852 7.8061 7.8061 9.8608 9.8608 10.3946 10.3946 11.0001 11.0001 11.6475 11.6475 k = 0.1250 0.2165-0.0000 ( 3693 PWs) bands (ev): -27.0491 -27.0491 -9.8884 -9.8884 -8.7862 -8.7862 -8.7239 -8.7239 -2.8451 -2.8451 -2.4963 -2.4963 -0.8864 -0.8864 -0.8554 -0.8554 -0.8217 -0.8217 -0.6333 -0.6333 -0.2171 -0.2171 -0.1832 -0.1832 -0.1204 -0.1204 0.0027 0.0027 0.0711 0.0711 0.2714 0.2714 3.8775 3.8775 5.3259 5.3259 6.0169 6.0169 6.5786 6.5786 7.2549 7.2549 7.8518 7.8518 9.8199 9.8199 10.3052 10.3052 10.9765 10.9765 11.6250 11.6250 k = 0.1181 0.2045-0.0000 ( 3693 PWs) bands (ev): -27.0494 -27.0494 -9.8871 -9.8871 -8.7855 -8.7855 -8.7209 -8.7209 -2.8652 -2.8652 -2.4972 -2.4972 -0.8892 -0.8892 -0.8600 -0.8600 -0.8267 -0.8267 -0.6382 -0.6382 -0.2195 -0.2195 -0.1876 -0.1876 -0.1206 -0.1206 0.0078 0.0078 0.0687 0.0687 0.2610 0.2610 3.8377 3.8377 5.4323 5.4323 6.1280 6.1280 6.6325 6.6325 7.3260 7.3260 7.8956 7.8956 9.7767 9.7767 10.2111 10.2111 10.9554 10.9554 11.6039 11.6039 k = 0.1111 0.1925-0.0000 ( 3697 PWs) bands (ev): -27.0496 -27.0496 -9.8857 -9.8857 -8.7847 -8.7847 -8.7178 -8.7178 -2.8849 -2.8849 -2.4982 -2.4982 -0.8921 -0.8921 -0.8653 -0.8653 -0.8304 -0.8304 -0.6429 -0.6429 -0.2216 -0.2216 -0.1915 -0.1915 -0.1211 -0.1211 0.0126 0.0126 0.0665 0.0665 0.2511 0.2511 3.7983 3.7983 5.5407 5.5407 6.2433 6.2433 6.6830 6.6830 7.3983 7.3983 7.9373 7.9373 9.7308 9.7308 10.1128 10.1128 10.9362 10.9362 11.5851 11.5851 k = 0.1042 0.1804-0.0000 ( 3693 PWs) bands (ev): -27.0498 -27.0498 -9.8845 -9.8845 -8.7841 -8.7841 -8.7148 -8.7148 -2.9041 -2.9041 -2.4992 -2.4992 -0.8950 -0.8950 -0.8711 -0.8711 -0.8330 -0.8330 -0.6472 -0.6472 -0.2234 -0.2234 -0.1948 -0.1948 -0.1219 -0.1219 0.0168 0.0168 0.0648 0.0648 0.2419 0.2419 3.7599 3.7599 5.6507 5.6507 6.3622 6.3622 6.7301 6.7301 7.4713 7.4713 7.9768 7.9768 9.6818 9.6818 10.0108 10.0108 10.9178 10.9178 11.5715 11.5715 k = 0.0972 0.1684-0.0000 ( 3695 PWs) bands (ev): -27.0501 -27.0501 -9.8833 -9.8833 -8.7836 -8.7836 -8.7118 -8.7118 -2.9226 -2.9226 -2.5002 -2.5002 -0.8978 -0.8978 -0.8771 -0.8771 -0.8348 -0.8348 -0.6512 -0.6512 -0.2249 -0.2249 -0.1976 -0.1976 -0.1230 -0.1230 0.0201 0.0201 0.0636 0.0636 0.2333 0.2333 3.7227 3.7227 5.7620 5.7620 6.4840 6.4840 6.7739 6.7739 7.5445 7.5445 8.0140 8.0140 9.6296 9.6296 9.9061 9.9061 10.8991 10.8991 11.5643 11.5643 k = 0.0903 0.1564-0.0000 ( 3691 PWs) bands (ev): -27.0503 -27.0503 -9.8821 -9.8821 -8.7831 -8.7831 -8.7088 -8.7088 -2.9404 -2.9404 -2.5012 -2.5012 -0.9006 -0.9006 -0.8831 -0.8831 -0.8360 -0.8360 -0.6548 -0.6548 -0.2260 -0.2260 -0.1999 -0.1999 -0.1246 -0.1246 0.0225 0.0225 0.0633 0.0633 0.2255 0.2255 3.6871 3.6871 5.8743 5.8743 6.6079 6.6079 6.8150 6.8150 7.6173 7.6173 8.0487 8.0487 9.5738 9.5738 9.7995 9.7995 10.8794 10.8794 11.5619 11.5619 k = 0.0833 0.1443-0.0000 ( 3691 PWs) bands (ev): -27.0505 -27.0505 -9.8810 -9.8810 -8.7827 -8.7827 -8.7059 -8.7059 -2.9572 -2.9572 -2.5022 -2.5022 -0.9034 -0.9034 -0.8888 -0.8888 -0.8368 -0.8368 -0.6582 -0.6582 -0.2269 -0.2269 -0.2016 -0.2016 -0.1265 -0.1265 0.0236 0.0236 0.0639 0.0639 0.2184 0.2184 3.6533 3.6533 5.9872 5.9872 6.7312 6.7312 6.8555 6.8555 7.6890 7.6890 8.0810 8.0810 9.5141 9.5141 9.6919 9.6919 10.8583 10.8583 11.5594 11.5594 k = 0.0764 0.1323-0.0000 ( 3687 PWs) bands (ev): -27.0506 -27.0506 -9.8800 -9.8800 -8.7824 -8.7824 -8.7032 -8.7032 -2.9732 -2.9732 -2.5031 -2.5031 -0.9060 -0.9060 -0.8942 -0.8942 -0.8373 -0.8373 -0.6613 -0.6613 -0.2276 -0.2276 -0.2027 -0.2027 -0.1288 -0.1288 0.0236 0.0236 0.0654 0.0654 0.2121 0.2121 3.6216 3.6216 6.1001 6.1001 6.8391 6.8391 6.9101 6.9101 7.7586 7.7586 8.1107 8.1107 9.4501 9.4501 9.5846 9.5846 10.8356 10.8356 11.5479 11.5479 k = 0.0694 0.1203-0.0000 ( 3689 PWs) bands (ev): -27.0508 -27.0508 -9.8790 -9.8790 -8.7821 -8.7821 -8.7005 -8.7005 -2.9880 -2.9880 -2.5040 -2.5040 -0.9085 -0.9085 -0.8991 -0.8991 -0.8376 -0.8376 -0.6641 -0.6641 -0.2282 -0.2282 -0.2032 -0.2032 -0.1316 -0.1316 0.0226 0.0226 0.0675 0.0675 0.2065 0.2065 3.5920 3.5920 6.2126 6.2126 6.8942 6.8942 7.0159 7.0159 7.8251 7.8251 8.1379 8.1379 9.3812 9.3812 9.4790 9.4790 10.8113 10.8113 11.5166 11.5166 k = 0.0625 0.1083-0.0000 ( 3689 PWs) bands (ev): -27.0510 -27.0510 -9.8782 -9.8782 -8.7818 -8.7818 -8.6981 -8.6981 -3.0017 -3.0017 -2.5049 -2.5049 -0.9109 -0.9109 -0.9037 -0.9037 -0.8378 -0.8378 -0.6667 -0.6667 -0.2287 -0.2287 -0.2030 -0.2030 -0.1347 -0.1347 0.0211 0.0211 0.0700 0.0700 0.2016 0.2016 3.5648 3.5648 6.3239 6.3239 6.9256 6.9256 7.1434 7.1434 7.8871 7.8871 8.1626 8.1626 9.3070 9.3070 9.3768 9.3768 10.7859 10.7859 11.4631 11.4632 k = 0.0556 0.0962-0.0000 ( 3695 PWs) bands (ev): -27.0511 -27.0511 -9.8774 -9.8774 -8.7816 -8.7816 -8.6958 -8.6958 -3.0142 -3.0142 -2.5057 -2.5057 -0.9131 -0.9131 -0.9077 -0.9077 -0.8379 -0.8379 -0.6689 -0.6689 -0.2292 -0.2292 -0.2022 -0.2022 -0.1382 -0.1382 0.0192 0.0192 0.0726 0.0726 0.1975 0.1975 3.5402 3.5402 6.4330 6.4330 6.9507 6.9507 7.2750 7.2750 7.9430 7.9430 8.1850 8.1850 9.2270 9.2270 9.2798 9.2798 10.7597 10.7597 11.3965 11.3965 k = 0.0486 0.0842-0.0000 ( 3707 PWs) bands (ev): -27.0513 -27.0513 -9.8767 -9.8767 -8.7815 -8.7815 -8.6937 -8.6937 -3.0254 -3.0254 -2.5064 -2.5064 -0.9151 -0.9151 -0.9112 -0.9112 -0.8379 -0.8379 -0.6710 -0.6710 -0.2297 -0.2297 -0.2006 -0.2006 -0.1421 -0.1421 0.0172 0.0172 0.0752 0.0752 0.1940 0.1940 3.5182 3.5182 6.5386 6.5386 6.9725 6.9725 7.4073 7.4073 7.9910 7.9910 8.2055 8.2055 9.1417 9.1417 9.1893 9.1893 10.7333 10.7333 11.3274 11.3274 k = 0.0417 0.0722-0.0000 ( 3703 PWs) bands (ev): -27.0514 -27.0514 -9.8761 -9.8761 -8.7813 -8.7813 -8.6919 -8.6919 -3.0352 -3.0352 -2.5070 -2.5070 -0.9169 -0.9169 -0.9142 -0.9142 -0.8378 -0.8378 -0.6727 -0.6727 -0.2302 -0.2302 -0.1985 -0.1985 -0.1463 -0.1463 0.0153 0.0153 0.0776 0.0776 0.1911 0.1911 3.4989 3.4989 6.6389 6.6389 6.9921 6.9921 7.5386 7.5386 8.0296 8.0296 8.2243 8.2243 9.0524 9.0524 9.1063 9.1063 10.7075 10.7075 11.2624 11.2624 k = 0.0347 0.0601-0.0000 ( 3701 PWs) bands (ev): -27.0515 -27.0515 -9.8756 -9.8756 -8.7812 -8.7812 -8.6903 -8.6903 -3.0436 -3.0436 -2.5076 -2.5076 -0.9184 -0.9184 -0.9168 -0.9168 -0.8377 -0.8377 -0.6741 -0.6741 -0.2307 -0.2307 -0.1957 -0.1957 -0.1507 -0.1507 0.0135 0.0135 0.0797 0.0797 0.1888 0.1888 3.4824 3.4824 6.7311 6.7311 7.0105 7.0105 7.6668 7.6668 8.0583 8.0583 8.2416 8.2416 8.9588 8.9588 9.0336 9.0336 10.6830 10.6830 11.2048 11.2048 k = 0.0278 0.0481-0.0000 ( 3709 PWs) bands (ev): -27.0516 -27.0516 -9.8751 -9.8751 -8.7812 -8.7812 -8.6890 -8.6890 -3.0505 -3.0505 -2.5081 -2.5081 -0.9197 -0.9197 -0.9189 -0.9189 -0.8376 -0.8376 -0.6753 -0.6753 -0.2311 -0.2311 -0.1924 -0.1924 -0.1554 -0.1554 0.0119 0.0119 0.0814 0.0814 0.1870 0.1870 3.4689 3.4689 6.8115 6.8115 7.0292 7.0292 7.7872 7.7872 8.0802 8.0802 8.2575 8.2575 8.8599 8.8599 8.9745 8.9745 10.6609 10.6609 11.1563 11.1563 k = 0.0208 0.0361-0.0000 ( 3709 PWs) bands (ev): -27.0516 -27.0516 -9.8748 -9.8748 -8.7811 -8.7811 -8.6880 -8.6880 -3.0560 -3.0560 -2.5084 -2.5084 -0.9207 -0.9207 -0.9204 -0.9204 -0.8376 -0.8376 -0.6762 -0.6762 -0.2315 -0.2315 -0.1888 -0.1888 -0.1601 -0.1601 0.0106 0.0106 0.0829 0.0829 0.1857 0.1857 3.4582 3.4582 6.8751 6.8751 7.0499 7.0499 7.8887 7.8887 8.1064 8.1064 8.2721 8.2721 8.7563 8.7563 8.9304 8.9304 10.6423 10.6423 11.1177 11.1177 k = 0.0139 0.0241-0.0000 ( 3713 PWs) bands (ev): -27.0517 -27.0517 -9.8745 -9.8745 -8.7811 -8.7811 -8.6872 -8.6872 -3.0599 -3.0599 -2.5087 -2.5087 -0.9216 -0.9216 -0.9215 -0.9215 -0.8375 -0.8375 -0.6769 -0.6769 -0.2318 -0.2318 -0.1848 -0.1848 -0.1648 -0.1648 0.0097 0.0097 0.0839 0.0839 0.1847 0.1847 3.4506 3.4506 6.9180 6.9180 7.0724 7.0724 7.9509 7.9509 8.1564 8.1564 8.2876 8.2876 8.6503 8.6503 8.9006 8.9006 10.6281 10.6281 11.0896 11.0896 k = 0.0069 0.0120-0.0000 ( 3711 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6868 -8.6868 -3.0622 -3.0622 -2.5089 -2.5089 -0.9222 -0.9222 -0.9219 -0.9219 -0.8374 -0.8374 -0.6772 -0.6772 -0.2319 -0.2319 -0.1808 -0.1808 -0.1693 -0.1693 0.0092 0.0092 0.0845 0.0845 0.1842 0.1842 3.4461 3.4461 6.9410 6.9410 7.0913 7.0913 7.9729 7.9729 8.2175 8.2175 8.3161 8.3161 8.5485 8.5485 8.8838 8.8838 10.6192 10.6192 11.0725 11.0726 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6866 -8.6866 -3.0630 -3.0630 -2.5089 -2.5089 -0.9225 -0.9225 -0.9221 -0.9221 -0.8375 -0.8375 -0.6774 -0.6774 -0.2320 -0.2320 -0.1784 -0.1784 -0.1718 -0.1718 0.0089 0.0089 0.0847 0.0847 0.1840 0.1840 3.4445 3.4445 6.9480 6.9480 7.0988 7.0988 7.9771 7.9771 8.2398 8.2398 8.3521 8.3521 8.4885 8.4885 8.8784 8.8784 10.6162 10.6162 11.0668 11.0668 k = 0.0000 0.0000 0.0000 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6866 -8.6866 -3.0630 -3.0630 -2.5089 -2.5089 -0.9225 -0.9225 -0.9221 -0.9221 -0.8375 -0.8375 -0.6774 -0.6774 -0.2320 -0.2320 -0.1784 -0.1784 -0.1718 -0.1718 0.0089 0.0089 0.0847 0.0847 0.1840 0.1840 3.4445 3.4445 6.9480 6.9480 7.0988 7.0988 7.9771 7.9771 8.2398 8.2398 8.3521 8.3521 8.4885 8.4885 8.8784 8.8784 10.6162 10.6162 11.0668 11.0668 k = 0.0000 0.0000 0.0136 ( 3707 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6866 -8.6866 -3.0622 -3.0622 -2.5095 -2.5095 -0.9226 -0.9226 -0.9219 -0.9219 -0.8374 -0.8374 -0.6776 -0.6776 -0.2320 -0.2320 -0.1784 -0.1784 -0.1724 -0.1724 0.0090 0.0090 0.0846 0.0846 0.1834 0.1834 3.4480 3.4480 6.9490 6.9490 7.0999 7.0999 7.9608 7.9608 8.2248 8.2248 8.3497 8.3497 8.5091 8.5091 8.8862 8.8862 10.6184 10.6184 11.0684 11.0684 k = 0.0000 0.0000 0.0273 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7810 -8.7810 -8.6866 -8.6866 -3.0599 -3.0599 -2.5112 -2.5112 -0.9229 -0.9229 -0.9216 -0.9216 -0.8373 -0.8373 -0.6784 -0.6784 -0.2319 -0.2319 -0.1783 -0.1783 -0.1741 -0.1741 0.0092 0.0092 0.0845 0.0845 0.1815 0.1815 3.4582 3.4582 6.9523 6.9523 7.1032 7.1032 7.9131 7.9131 8.1948 8.1948 8.3424 8.3424 8.5534 8.5534 8.9103 8.9103 10.6251 10.6251 11.0730 11.0730 k = 0.0000 0.0000 0.0409 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7811 -8.7811 -8.6866 -8.6866 -3.0560 -3.0560 -2.5141 -2.5141 -0.9232 -0.9232 -0.9214 -0.9214 -0.8372 -0.8372 -0.6796 -0.6796 -0.2318 -0.2318 -0.1782 -0.1782 -0.1769 -0.1769 0.0095 0.0095 0.0844 0.0844 0.1785 0.1785 3.4752 3.4752 6.9577 6.9577 7.1088 7.1088 7.8399 7.8399 8.1651 8.1651 8.3304 8.3304 8.5986 8.5986 8.9527 8.9527 10.6366 10.6366 11.0803 11.0803 k = 0.0000 0.0000 0.0546 ( 3719 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7811 -8.7811 -8.6866 -8.6866 -3.0506 -3.0506 -2.5180 -2.5180 -0.9235 -0.9235 -0.9211 -0.9211 -0.8371 -0.8371 -0.6813 -0.6813 -0.2317 -0.2317 -0.1808 -0.1808 -0.1780 -0.1780 0.0099 0.0099 0.0842 0.0842 0.1745 0.1745 3.4986 3.4986 6.9652 6.9652 7.1167 7.1167 7.7500 7.7500 8.1378 8.1378 8.3140 8.3140 8.6343 8.6343 9.0125 9.0125 10.6533 10.6533 11.0899 11.0899 k = 0.0000 0.0000 0.0682 ( 3712 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7812 -8.7812 -8.6866 -8.6866 -3.0437 -3.0437 -2.5232 -2.5232 -0.9237 -0.9237 -0.9208 -0.9208 -0.8369 -0.8369 -0.6835 -0.6835 -0.2316 -0.2316 -0.1856 -0.1856 -0.1778 -0.1778 0.0104 0.0104 0.0839 0.0839 0.1696 0.1696 3.5281 3.5281 6.9748 6.9748 7.1267 7.1267 7.6506 7.6506 8.1109 8.1109 8.2933 8.2933 8.6595 8.6595 9.0851 9.0851 10.6758 10.6758 11.1011 11.1011 k = 0.0000 0.0000 0.0819 ( 3730 PWs) bands (ev): -27.0517 -27.0517 -9.8744 -9.8744 -8.7813 -8.7813 -8.6866 -8.6866 -3.0354 -3.0354 -2.5294 -2.5294 -0.9240 -0.9240 -0.9205 -0.9205 -0.8367 -0.8367 -0.6862 -0.6862 -0.2315 -0.2315 -0.1914 -0.1914 -0.1775 -0.1775 0.0110 0.0110 0.0835 0.0835 0.1640 0.1640 3.5633 3.5633 6.9864 6.9864 7.1389 7.1389 7.5462 7.5462 8.0828 8.0828 8.2687 8.2687 8.6771 8.6771 9.1645 9.1645 10.7049 10.7049 11.1131 11.1131 k = 0.0000 0.0000 0.0955 ( 3718 PWs) bands (ev): -27.0517 -27.0517 -9.8745 -9.8745 -8.7814 -8.7814 -8.6866 -8.6866 -3.0256 -3.0256 -2.5368 -2.5368 -0.9243 -0.9243 -0.9202 -0.9202 -0.8364 -0.8364 -0.6893 -0.6893 -0.2314 -0.2314 -0.1977 -0.1977 -0.1772 -0.1772 0.0117 0.0117 0.0832 0.0832 0.1580 0.1580 3.6038 3.6038 6.9999 6.9999 7.1532 7.1532 7.4395 7.4395 8.0528 8.0528 8.2406 8.2406 8.6897 8.6897 9.2457 9.2457 10.7414 10.7414 11.1253 11.1253 k = 0.0000 0.0000 0.1091 ( 3712 PWs) bands (ev): -27.0517 -27.0517 -9.8745 -9.8745 -8.7815 -8.7815 -8.6866 -8.6866 -3.0146 -3.0146 -2.5453 -2.5453 -0.9246 -0.9246 -0.9199 -0.9199 -0.8361 -0.8361 -0.6927 -0.6927 -0.2315 -0.2315 -0.2046 -0.2046 -0.1769 -0.1769 0.0124 0.0124 0.0828 0.0828 0.1517 0.1517 3.6490 3.6490 7.0152 7.0152 7.1696 7.1696 7.3324 7.3324 8.0207 8.0207 8.2093 8.2093 8.6993 8.6993 9.3248 9.3248 10.7863 10.7863 11.1367 11.1367 k = 0.0000 0.0000 0.1228 ( 3712 PWs) bands (ev): -27.0517 -27.0517 -9.8745 -9.8745 -8.7816 -8.7816 -8.6866 -8.6866 -3.0022 -3.0022 -2.5549 -2.5549 -0.9249 -0.9249 -0.9196 -0.9196 -0.8357 -0.8357 -0.6965 -0.6965 -0.2319 -0.2319 -0.2116 -0.2116 -0.1766 -0.1766 0.0132 0.0132 0.0824 0.0824 0.1453 0.1453 3.6983 3.6983 7.0312 7.0312 7.1881 7.1881 7.2270 7.2270 7.9864 7.9864 8.1753 8.1753 8.7070 8.7070 9.3991 9.3991 10.8403 10.8403 11.1466 11.1466 k = 0.0000 0.0000 0.1364 ( 3694 PWs) bands (ev): -27.0517 -27.0517 -9.8746 -9.8746 -8.7817 -8.7817 -8.6866 -8.6866 -2.9886 -2.9886 -2.5657 -2.5657 -0.9251 -0.9251 -0.9193 -0.9193 -0.8354 -0.8354 -0.7006 -0.7006 -0.2332 -0.2332 -0.2180 -0.2180 -0.1762 -0.1762 0.0140 0.0140 0.0820 0.0820 0.1389 0.1389 3.7509 3.7509 7.0427 7.0427 7.1295 7.1295 7.2086 7.2086 7.9501 7.9501 8.1389 8.1389 8.7135 8.7135 9.4669 9.4669 10.9041 10.9041 11.1548 11.1548 k = 0.0000 0.0000 0.1501 ( 3706 PWs) bands (ev): -27.0517 -27.0517 -9.8746 -9.8746 -8.7818 -8.7818 -8.6866 -8.6866 -2.9739 -2.9739 -2.5775 -2.5775 -0.9253 -0.9253 -0.9191 -0.9191 -0.8350 -0.8350 -0.7049 -0.7049 -0.2365 -0.2365 -0.2226 -0.2226 -0.1759 -0.1759 0.0148 0.0148 0.0815 0.0815 0.1328 0.1328 3.8061 3.8061 6.9990 6.9990 7.0914 7.0914 7.2311 7.2311 7.9122 7.9122 8.1007 8.1007 8.7192 8.7192 9.5270 9.5270 10.9778 10.9778 11.1609 11.1609 k = 0.0000 0.0000 0.1637 ( 3706 PWs) bands (ev): -27.0517 -27.0517 -9.8746 -9.8746 -8.7819 -8.7819 -8.6866 -8.6866 -2.9581 -2.9581 -2.5903 -2.5903 -0.9256 -0.9256 -0.9189 -0.9189 -0.8346 -0.8346 -0.7094 -0.7094 -0.2422 -0.2422 -0.2248 -0.2248 -0.1755 -0.1755 0.0156 0.0156 0.0811 0.0811 0.1269 0.1269 3.8631 3.8631 6.9059 6.9059 7.1078 7.1078 7.2553 7.2553 7.8729 7.8729 8.0609 8.0609 8.7244 8.7244 9.5790 9.5790 11.0607 11.0607 11.1658 11.1658 k = 0.0000 0.0000 0.1774 ( 3700 PWs) bands (ev): -27.0517 -27.0517 -9.8747 -9.8747 -8.7820 -8.7820 -8.6866 -8.6866 -2.9414 -2.9414 -2.6042 -2.6042 -0.9258 -0.9258 -0.9186 -0.9186 -0.8342 -0.8342 -0.7139 -0.7139 -0.2490 -0.2490 -0.2256 -0.2256 -0.1751 -0.1751 0.0164 0.0164 0.0807 0.0807 0.1214 0.1214 3.9209 3.9209 6.8110 6.8110 7.1315 7.1315 7.2813 7.2813 7.8325 7.8325 8.0200 8.0200 8.7290 8.7290 9.6229 9.6229 11.1421 11.1421 11.1798 11.1798 k = 0.0000 0.0000 0.1910 ( 3688 PWs) bands (ev): -27.0517 -27.0517 -9.8747 -9.8747 -8.7821 -8.7821 -8.6866 -8.6866 -2.9238 -2.9238 -2.6190 -2.6190 -0.9259 -0.9259 -0.9184 -0.9184 -0.8338 -0.8338 -0.7183 -0.7183 -0.2561 -0.2561 -0.2258 -0.2258 -0.1748 -0.1748 0.0172 0.0172 0.0803 0.0803 0.1163 0.1163 3.9784 3.9784 6.7199 6.7199 7.1580 7.1580 7.3089 7.3089 7.7913 7.7913 7.9783 7.9783 8.7332 8.7332 9.6592 9.6592 11.1598 11.1598 11.2298 11.2298 k = 0.0000 0.0000 0.2047 ( 3682 PWs) bands (ev): -27.0517 -27.0517 -9.8747 -9.8747 -8.7822 -8.7822 -8.6866 -8.6866 -2.9055 -2.9055 -2.6347 -2.6347 -0.9261 -0.9261 -0.9182 -0.9182 -0.8333 -0.8333 -0.7226 -0.7226 -0.2628 -0.2628 -0.2258 -0.2258 -0.1744 -0.1744 0.0180 0.0180 0.0799 0.0799 0.1118 0.1118 4.0345 4.0345 6.6344 6.6344 7.1864 7.1864 7.3379 7.3379 7.7497 7.7497 7.9364 7.9364 8.7370 8.7370 9.6886 9.6886 11.1600 11.1600 11.2250 11.2250 k = 0.0000 0.0000 0.2183 ( 3670 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7823 -8.7823 -8.6866 -8.6866 -2.8866 -2.8866 -2.6513 -2.6513 -0.9263 -0.9263 -0.9180 -0.9180 -0.8329 -0.8329 -0.7267 -0.7267 -0.2689 -0.2689 -0.2257 -0.2257 -0.1741 -0.1741 0.0187 0.0187 0.0796 0.0796 0.1078 0.1078 4.0878 4.0878 6.5558 6.5558 7.2164 7.2164 7.3681 7.3681 7.7081 7.7081 7.8946 7.8946 8.7404 8.7404 9.7119 9.7119 11.1581 11.1581 11.2199 11.2199 k = 0.0000 0.0000 0.2319 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7823 -8.7823 -8.6866 -8.6866 -2.8672 -2.8672 -2.6687 -2.6687 -0.9264 -0.9264 -0.9179 -0.9179 -0.8326 -0.8326 -0.7304 -0.7304 -0.2744 -0.2744 -0.2255 -0.2255 -0.1739 -0.1739 0.0193 0.0193 0.0792 0.0792 0.1044 0.1044 4.1368 4.1368 6.4855 6.4855 7.2477 7.2477 7.3991 7.3991 7.6668 7.6668 7.8535 7.8535 8.7433 8.7433 9.7300 9.7300 11.1555 11.1555 11.2148 11.2148 k = 0.0000 0.0000 0.2456 ( 3664 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7824 -8.7824 -8.6866 -8.6866 -2.8475 -2.8475 -2.6867 -2.6867 -0.9265 -0.9265 -0.9177 -0.9177 -0.8322 -0.8322 -0.7335 -0.7335 -0.2789 -0.2789 -0.2254 -0.2254 -0.1736 -0.1736 0.0198 0.0198 0.0790 0.0790 0.1016 0.1016 4.1800 4.1800 6.4250 6.4250 7.2797 7.2797 7.4302 7.4302 7.6264 7.6264 7.8138 7.8138 8.7458 8.7458 9.7438 9.7438 11.1527 11.1527 11.2102 11.2102 k = 0.0000 0.0000 0.2592 ( 3682 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7824 -8.7824 -8.6866 -8.6866 -2.8275 -2.8275 -2.7053 -2.7053 -0.9266 -0.9266 -0.9177 -0.9177 -0.8319 -0.8319 -0.7362 -0.7362 -0.2826 -0.2826 -0.2253 -0.2253 -0.1735 -0.1735 0.0202 0.0202 0.0787 0.0787 0.0993 0.0993 4.2158 4.2158 6.3759 6.3759 7.3117 7.3117 7.4604 7.4604 7.5877 7.5877 7.7769 7.7769 8.7477 8.7477 9.7537 9.7537 11.1503 11.1503 11.2064 11.2064 k = 0.0000 0.0000 0.2729 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7825 -8.7825 -8.6866 -8.6866 -2.8077 -2.8077 -2.7241 -2.7241 -0.9267 -0.9267 -0.9176 -0.9176 -0.8317 -0.8317 -0.7381 -0.7381 -0.2852 -0.2852 -0.2252 -0.2252 -0.1733 -0.1733 0.0206 0.0206 0.0786 0.0786 0.0977 0.0977 4.2427 4.2427 6.3396 6.3396 7.3421 7.3421 7.4877 7.4877 7.5525 7.5525 7.7447 7.7447 8.7491 8.7491 9.7605 9.7605 11.1483 11.1483 11.2035 11.2035 k = 0.0000 0.0000 0.2865 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7825 -8.7825 -8.6866 -8.6866 -2.7886 -2.7886 -2.7425 -2.7425 -0.9267 -0.9267 -0.9175 -0.9175 -0.8315 -0.8315 -0.7392 -0.7392 -0.2868 -0.2868 -0.2251 -0.2251 -0.1733 -0.1733 0.0208 0.0208 0.0785 0.0785 0.0968 0.0968 4.2594 4.2594 6.3172 6.3172 7.3669 7.3669 7.5082 7.5082 7.5248 7.5248 7.7213 7.7213 8.7500 8.7500 9.7644 9.7644 11.1471 11.1471 11.2017 11.2017 k = 0.0000 0.0000 0.3002 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7825 -8.7825 -8.6866 -8.6866 -2.7766 -2.7766 -2.7544 -2.7544 -0.9268 -0.9268 -0.9175 -0.9175 -0.8315 -0.8315 -0.7396 -0.7396 -0.2874 -0.2874 -0.2251 -0.2251 -0.1732 -0.1732 0.0208 0.0208 0.0785 0.0785 0.0965 0.0965 4.2651 4.2651 6.3097 6.3097 7.3774 7.3774 7.5133 7.5133 7.5161 7.5161 7.7123 7.7123 8.7503 8.7503 9.7656 9.7656 11.1466 11.1466 11.2011 11.2011 k = 0.0000 0.0000 0.3002 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7825 -8.7825 -8.6866 -8.6866 -2.7766 -2.7766 -2.7544 -2.7544 -0.9268 -0.9268 -0.9175 -0.9175 -0.8315 -0.8315 -0.7396 -0.7396 -0.2874 -0.2874 -0.2251 -0.2251 -0.1732 -0.1732 0.0208 0.0208 0.0785 0.0785 0.0965 0.0965 4.2651 4.2651 6.3097 6.3097 7.3774 7.3774 7.5133 7.5133 7.5161 7.5161 7.7123 7.7123 8.7503 8.7503 9.7656 9.7656 11.1466 11.1466 11.2011 11.2011 k = 0.0122 0.0070 0.3002 ( 3668 PWs) bands (ev): -27.0517 -27.0517 -9.8749 -9.8749 -8.7825 -8.7825 -8.6868 -8.6868 -2.7761 -2.7761 -2.7540 -2.7540 -0.9264 -0.9264 -0.9174 -0.9174 -0.8316 -0.8316 -0.7393 -0.7393 -0.2873 -0.2873 -0.2249 -0.2249 -0.1730 -0.1730 0.0210 0.0210 0.0783 0.0783 0.0965 0.0965 4.2649 4.2649 6.3098 6.3098 7.3737 7.3737 7.4858 7.4858 7.5298 7.5298 7.7005 7.7005 8.7710 8.7710 9.7694 9.7694 11.1498 11.1498 11.2036 11.2036 k = 0.0244 0.0141 0.3002 ( 3664 PWs) bands (ev): -27.0517 -27.0517 -9.8750 -9.8750 -8.7825 -8.7825 -8.6872 -8.6872 -2.7746 -2.7746 -2.7530 -2.7530 -0.9255 -0.9255 -0.9170 -0.9170 -0.8320 -0.8320 -0.7382 -0.7382 -0.2870 -0.2870 -0.2243 -0.2243 -0.1723 -0.1723 0.0213 0.0213 0.0778 0.0778 0.0968 0.0968 4.2644 4.2644 6.3102 6.3102 7.3617 7.3617 7.4414 7.4414 7.5310 7.5310 7.6724 7.6724 8.8287 8.8287 9.7807 9.7807 11.1584 11.1584 11.2118 11.2118 k = 0.0366 0.0211 0.3002 ( 3664 PWs) bands (ev): -27.0516 -27.0516 -9.8753 -9.8753 -8.7826 -8.7826 -8.6880 -8.6880 -2.7720 -2.7720 -2.7512 -2.7512 -0.9240 -0.9240 -0.9164 -0.9164 -0.8327 -0.8327 -0.7365 -0.7365 -0.2865 -0.2865 -0.2233 -0.2233 -0.1713 -0.1713 0.0219 0.0219 0.0768 0.0768 0.0972 0.0972 4.2636 4.2636 6.3105 6.3105 7.3338 7.3338 7.3859 7.3859 7.5162 7.5162 7.6438 7.6438 8.9133 8.9133 9.7995 9.7995 11.1700 11.1700 11.2272 11.2272 k = 0.0488 0.0282 0.3002 ( 3668 PWs) bands (ev): -27.0516 -27.0516 -9.8756 -9.8756 -8.7826 -8.7826 -8.6891 -8.6891 -2.7685 -2.7685 -2.7488 -2.7488 -0.9220 -0.9220 -0.9156 -0.9156 -0.8336 -0.8336 -0.7342 -0.7342 -0.2858 -0.2858 -0.2219 -0.2219 -0.1697 -0.1697 0.0227 0.0227 0.0755 0.0755 0.0979 0.0979 4.2625 4.2625 6.3100 6.3100 7.2662 7.2662 7.3438 7.3438 7.4860 7.4860 7.6245 7.6245 9.0145 9.0145 9.8257 9.8257 11.1808 11.1808 11.2520 11.2520 k = 0.0610 0.0352 0.3002 ( 3678 PWs) bands (ev): -27.0515 -27.0515 -9.8760 -9.8760 -8.7827 -8.7827 -8.6904 -8.6904 -2.7641 -2.7641 -2.7457 -2.7457 -0.9194 -0.9194 -0.9145 -0.9145 -0.8346 -0.8346 -0.7313 -0.7313 -0.2848 -0.2848 -0.2203 -0.2203 -0.1678 -0.1678 0.0238 0.0238 0.0737 0.0737 0.0989 0.0989 4.2609 4.2609 6.3077 6.3077 7.1692 7.1692 7.3108 7.3108 7.4456 7.4456 7.6125 7.6125 9.1240 9.1240 9.8597 9.8597 11.1881 11.1881 11.2869 11.2869 k = 0.0732 0.0422 0.3002 ( 3682 PWs) bands (ev): -27.0514 -27.0514 -9.8766 -9.8766 -8.7828 -8.7828 -8.6920 -8.6920 -2.7588 -2.7588 -2.7419 -2.7419 -0.9162 -0.9162 -0.9130 -0.9130 -0.8356 -0.8356 -0.7279 -0.7279 -0.2836 -0.2836 -0.2184 -0.2184 -0.1655 -0.1655 0.0252 0.0252 0.0715 0.0715 0.1003 0.1003 4.2588 4.2588 6.3016 6.3016 7.0626 7.0626 7.2747 7.2747 7.3998 7.3998 7.6037 7.6037 9.2353 9.2353 9.9018 9.9018 11.1902 11.1902 11.3309 11.3309 k = 0.0854 0.0493 0.3002 ( 3686 PWs) bands (ev): -27.0512 -27.0512 -9.8772 -9.8772 -8.7829 -8.7829 -8.6939 -8.6939 -2.7528 -2.7528 -2.7372 -2.7372 -0.9130 -0.9130 -0.9108 -0.9108 -0.8367 -0.8367 -0.7240 -0.7240 -0.2820 -0.2820 -0.2162 -0.2162 -0.1628 -0.1628 0.0268 0.0268 0.0690 0.0690 0.1020 0.1020 4.2562 4.2562 6.2886 6.2886 6.9562 6.9562 7.2331 7.2331 7.3509 7.3509 7.5957 7.5957 9.3433 9.3433 9.9527 9.9527 11.1850 11.1850 11.3826 11.3826 k = 0.0976 0.0563 0.3002 ( 3686 PWs) bands (ev): -27.0511 -27.0511 -9.8779 -9.8779 -8.7830 -8.7830 -8.6960 -8.6960 -2.7463 -2.7463 -2.7317 -2.7317 -0.9106 -0.9106 -0.9071 -0.9071 -0.8377 -0.8377 -0.7197 -0.7197 -0.2802 -0.2802 -0.2139 -0.2139 -0.1598 -0.1598 0.0287 0.0287 0.0661 0.0661 0.1042 0.1042 4.2530 4.2530 6.2641 6.2641 6.8581 6.8581 7.1859 7.1859 7.3001 7.3001 7.5877 7.5877 9.4438 9.4438 10.0127 10.0127 11.1702 11.1702 11.4410 11.4410 k = 0.1098 0.0634 0.3002 ( 3690 PWs) bands (ev): -27.0510 -27.0510 -9.8787 -9.8787 -8.7832 -8.7832 -8.6983 -8.6983 -2.7394 -2.7394 -2.7253 -2.7253 -0.9086 -0.9086 -0.9023 -0.9023 -0.8387 -0.8387 -0.7151 -0.7151 -0.2779 -0.2779 -0.2115 -0.2115 -0.1565 -0.1565 0.0307 0.0307 0.0631 0.0631 0.1069 0.1069 4.2490 4.2490 6.2217 6.2217 6.7765 6.7765 7.1336 7.1336 7.2479 7.2479 7.5793 7.5793 9.5336 9.5336 10.0817 10.0817 11.1435 11.1435 11.5050 11.5050 k = 0.1220 0.0704 0.3002 ( 3686 PWs) bands (ev): -27.0508 -27.0508 -9.8795 -9.8795 -8.7834 -8.7834 -8.7008 -8.7008 -2.7324 -2.7324 -2.7177 -2.7177 -0.9064 -0.9064 -0.8969 -0.8969 -0.8394 -0.8394 -0.7101 -0.7101 -0.2753 -0.2753 -0.2090 -0.2090 -0.1531 -0.1531 0.0327 0.0327 0.0601 0.0601 0.1101 0.1101 4.2441 4.2441 6.1568 6.1568 6.7177 6.7177 7.0768 7.0768 7.1948 7.1948 7.5704 7.5704 9.6115 9.6115 10.1579 10.1579 11.1036 11.1036 11.5736 11.5736 k = 0.1341 0.0774 0.3002 ( 3684 PWs) bands (ev): -27.0506 -27.0506 -9.8805 -9.8805 -8.7837 -8.7837 -8.7035 -8.7035 -2.7254 -2.7254 -2.7089 -2.7089 -0.9041 -0.9041 -0.8911 -0.8911 -0.8398 -0.8398 -0.7048 -0.7048 -0.2723 -0.2723 -0.2064 -0.2064 -0.1496 -0.1496 0.0342 0.0342 0.0576 0.0576 0.1140 0.1140 4.2383 4.2383 6.0693 6.0693 6.6823 6.6823 7.0168 7.0168 7.1409 7.1409 7.5611 7.5611 9.6775 9.6775 10.2375 10.2375 11.0513 11.0513 11.6458 11.6458 k = 0.1463 0.0845 0.3002 ( 3680 PWs) bands (ev): -27.0504 -27.0504 -9.8815 -9.8815 -8.7840 -8.7840 -8.7062 -8.7062 -2.7184 -2.7184 -2.6991 -2.6991 -0.9016 -0.9016 -0.8849 -0.8849 -0.8399 -0.8399 -0.6992 -0.6992 -0.2689 -0.2689 -0.2036 -0.2036 -0.1462 -0.1462 0.0346 0.0346 0.0563 0.0563 0.1186 0.1186 4.2314 4.2314 5.9644 5.9644 6.6659 6.6659 6.9546 6.9546 7.0862 7.0862 7.5512 7.5512 9.7332 9.7332 10.3156 10.3156 10.9891 10.9891 11.7182 11.7201 k = 0.1585 0.0915 0.3002 ( 3690 PWs) bands (ev): -27.0502 -27.0502 -9.8826 -9.8826 -8.7844 -8.7844 -8.7091 -8.7091 -2.7115 -2.7115 -2.6884 -2.6884 -0.8991 -0.8991 -0.8786 -0.8786 -0.8394 -0.8394 -0.6933 -0.6933 -0.2650 -0.2650 -0.2008 -0.2008 -0.1428 -0.1428 0.0331 0.0331 0.0568 0.0568 0.1241 0.1241 4.2232 4.2232 5.8480 5.8480 6.6625 6.6625 6.8915 6.8915 7.0310 7.0310 7.5409 7.5409 9.7801 9.7801 10.3869 10.3869 10.9212 10.9212 11.7245 11.7245 k = 0.1707 0.0986 0.3002 ( 3682 PWs) bands (ev): -27.0500 -27.0500 -9.8838 -9.8838 -8.7849 -8.7849 -8.7120 -8.7120 -2.7044 -2.7044 -2.6770 -2.6770 -0.8963 -0.8963 -0.8724 -0.8724 -0.8381 -0.8381 -0.6872 -0.6872 -0.2607 -0.2607 -0.1979 -0.1979 -0.1396 -0.1396 0.0300 0.0300 0.0590 0.0590 0.1305 0.1305 4.2136 4.2136 5.7250 5.7250 6.6666 6.6666 6.8292 6.8292 6.9755 6.9755 7.5300 7.5300 9.8195 9.8195 10.4464 10.4464 10.8519 10.8519 11.7154 11.7154 k = 0.1829 0.1056 0.3002 ( 3682 PWs) bands (ev): -27.0498 -27.0498 -9.8850 -9.8850 -8.7855 -8.7855 -8.7150 -8.7150 -2.6973 -2.6973 -2.6650 -2.6650 -0.8935 -0.8935 -0.8668 -0.8668 -0.8356 -0.8356 -0.6809 -0.6809 -0.2560 -0.2560 -0.1948 -0.1948 -0.1367 -0.1367 0.0257 0.0257 0.0623 0.0623 0.1381 0.1381 4.2024 4.2024 5.5986 5.5986 6.6717 6.6717 6.7719 6.7719 6.9200 6.9200 7.5188 7.5188 9.8524 9.8524 10.4902 10.4902 10.7855 10.7855 11.6736 11.6736 k = 0.1951 0.1127 0.3002 ( 3682 PWs) bands (ev): -27.0496 -27.0496 -9.8863 -9.8863 -8.7862 -8.7862 -8.7179 -8.7179 -2.6902 -2.6902 -2.6526 -2.6526 -0.8906 -0.8906 -0.8621 -0.8621 -0.8315 -0.8315 -0.6742 -0.6742 -0.2510 -0.2510 -0.1915 -0.1915 -0.1342 -0.1342 0.0208 0.0208 0.0661 0.0661 0.1469 0.1469 4.1896 4.1896 5.4709 5.4709 6.6589 6.6589 6.7367 6.7367 6.8652 6.8652 7.5072 7.5072 9.8789 9.8789 10.5154 10.5154 10.7263 10.7263 11.6053 11.6053 k = 0.2073 0.1197 0.3002 ( 3674 PWs) bands (ev): -27.0493 -27.0493 -9.8876 -9.8876 -8.7871 -8.7871 -8.7207 -8.7207 -2.6830 -2.6830 -2.6397 -2.6397 -0.8876 -0.8876 -0.8585 -0.8585 -0.8257 -0.8257 -0.6673 -0.6673 -0.2456 -0.2456 -0.1879 -0.1879 -0.1319 -0.1319 0.0155 0.0155 0.0701 0.0701 0.1569 0.1569 4.1749 4.1749 5.3433 5.3433 6.6130 6.6130 6.7360 6.7360 6.8136 6.8136 7.4952 7.4952 9.8989 9.8989 10.5205 10.5205 10.6788 10.6788 11.5263 11.5263 k = 0.2195 0.1267 0.3002 ( 3678 PWs) bands (ev): -27.0491 -27.0491 -9.8890 -9.8890 -8.7881 -8.7881 -8.7235 -8.7235 -2.6758 -2.6758 -2.6266 -2.6266 -0.8846 -0.8846 -0.8560 -0.8560 -0.8185 -0.8185 -0.6602 -0.6602 -0.2400 -0.2400 -0.1841 -0.1841 -0.1301 -0.1301 0.0100 0.0100 0.0742 0.0742 0.1681 0.1681 4.1583 4.1583 5.2168 5.2168 6.5560 6.5560 6.7303 6.7303 6.7822 6.7822 7.4830 7.4830 9.9120 9.9120 10.5080 10.5080 10.6441 10.6441 11.4419 11.4419 k = 0.2317 0.1338 0.3002 ( 3682 PWs) bands (ev): -27.0488 -27.0488 -9.8904 -9.8904 -8.7892 -8.7892 -8.7261 -8.7261 -2.6687 -2.6687 -2.6134 -2.6134 -0.8816 -0.8816 -0.8540 -0.8540 -0.8102 -0.8102 -0.6527 -0.6527 -0.2343 -0.2343 -0.1798 -0.1798 -0.1286 -0.1286 0.0045 0.0045 0.0784 0.0784 0.1805 0.1805 4.1397 4.1397 5.0922 5.0922 6.4979 6.4979 6.6880 6.6880 6.7931 6.7931 7.4706 7.4706 9.9176 9.9176 10.4866 10.4866 10.6171 10.6171 11.3547 11.3547 k = 0.2439 0.1408 0.3002 ( 3678 PWs) bands (ev): -27.0486 -27.0486 -9.8918 -9.8918 -8.7905 -8.7905 -8.7286 -8.7286 -2.6617 -2.6617 -2.6001 -2.6001 -0.8785 -0.8785 -0.8524 -0.8524 -0.8013 -0.8013 -0.6448 -0.6448 -0.2286 -0.2286 -0.1750 -0.1750 -0.1274 -0.1274 -0.0010 -0.0010 0.0825 0.0825 0.1939 0.1939 4.1189 4.1189 4.9699 4.9699 6.4409 6.4409 6.6369 6.6369 6.8161 6.8161 7.4581 7.4581 9.9155 9.9155 10.4660 10.4660 10.5915 10.5915 11.2660 11.2660 k = 0.2561 0.1479 0.3002 ( 3682 PWs) bands (ev): -27.0483 -27.0483 -9.8932 -9.8932 -8.7920 -8.7920 -8.7308 -8.7308 -2.6548 -2.6548 -2.5868 -2.5868 -0.8755 -0.8755 -0.8510 -0.8510 -0.7921 -0.7921 -0.6366 -0.6366 -0.2231 -0.2231 -0.1696 -0.1696 -0.1266 -0.1266 -0.0063 -0.0063 0.0868 0.0868 0.2082 0.2082 4.0960 4.0960 4.8506 4.8506 6.3859 6.3859 6.5853 6.5853 6.8421 6.8421 7.4457 7.4457 9.9063 9.9063 10.4514 10.4514 10.5638 10.5638 11.1771 11.1771 k = 0.2683 0.1549 0.3002 ( 3686 PWs) bands (ev): -27.0481 -27.0481 -9.8947 -9.8947 -8.7937 -8.7937 -8.7329 -8.7329 -2.6480 -2.6480 -2.5736 -2.5736 -0.8725 -0.8725 -0.8496 -0.8496 -0.7828 -0.7828 -0.6281 -0.6281 -0.2180 -0.2180 -0.1635 -0.1635 -0.1260 -0.1260 -0.0114 -0.0114 0.0911 0.0911 0.2231 0.2231 4.0709 4.0709 4.7346 4.7346 6.3333 6.3333 6.5345 6.5345 6.8695 6.8695 7.4333 7.4333 9.8911 9.8911 10.4442 10.4442 10.5334 10.5334 11.0892 11.0892 k = 0.2805 0.1619 0.3002 ( 3678 PWs) bands (ev): -27.0479 -27.0479 -9.8962 -9.8962 -8.7955 -8.7955 -8.7348 -8.7348 -2.6414 -2.6414 -2.5606 -2.5606 -0.8696 -0.8696 -0.8482 -0.8482 -0.7735 -0.7735 -0.6192 -0.6192 -0.2134 -0.2134 -0.1569 -0.1569 -0.1254 -0.1254 -0.0160 -0.0160 0.0957 0.0957 0.2386 0.2386 4.0437 4.0437 4.6223 4.6223 6.2834 6.2834 6.4852 6.4852 6.8976 6.8976 7.4212 7.4212 9.8718 9.8718 10.4424 10.4424 10.5012 10.5012 11.0035 11.0035 k = 0.2927 0.1690 0.3002 ( 3676 PWs) bands (ev): -27.0476 -27.0476 -9.8976 -9.8976 -8.7974 -8.7974 -8.7364 -8.7364 -2.6350 -2.6350 -2.5479 -2.5479 -0.8667 -0.8667 -0.8468 -0.8468 -0.7644 -0.7644 -0.6099 -0.6099 -0.2094 -0.2094 -0.1502 -0.1502 -0.1248 -0.1248 -0.0200 -0.0200 0.1006 0.1006 0.2542 0.2542 4.0144 4.0144 4.5142 4.5142 6.2364 6.2364 6.4374 6.4374 6.9260 6.9260 7.4094 7.4094 9.8504 9.8504 10.4374 10.4374 10.4748 10.4748 10.9213 10.9213 k = 0.3049 0.1760 0.3002 ( 3676 PWs) bands (ev): -27.0474 -27.0474 -9.8990 -9.8990 -8.7994 -8.7994 -8.7378 -8.7378 -2.6289 -2.6289 -2.5356 -2.5356 -0.8640 -0.8640 -0.8453 -0.8453 -0.7557 -0.7557 -0.6003 -0.6003 -0.2060 -0.2060 -0.1440 -0.1440 -0.1234 -0.1234 -0.0232 -0.0232 0.1059 0.1059 0.2699 0.2699 3.9832 3.9832 4.4106 4.4106 6.1923 6.1923 6.3915 6.3915 6.9543 6.9543 7.3980 7.3980 9.8286 9.8286 10.4098 10.4098 10.4716 10.4716 10.8443 10.8443 k = 0.3171 0.1831 0.3002 ( 3676 PWs) bands (ev): -27.0471 -27.0471 -9.9004 -9.9004 -8.8016 -8.8016 -8.7390 -8.7390 -2.6231 -2.6231 -2.5237 -2.5237 -0.8613 -0.8613 -0.8438 -0.8438 -0.7474 -0.7474 -0.5904 -0.5904 -0.2031 -0.2031 -0.1398 -0.1398 -0.1205 -0.1205 -0.0253 -0.0253 0.1118 0.1118 0.2852 0.2852 3.9503 3.9503 4.3119 4.3119 6.1512 6.1512 6.3476 6.3476 6.9822 6.9822 7.3874 7.3874 9.8074 9.8074 10.3696 10.3696 10.4791 10.4791 10.7747 10.7747 k = 0.3293 0.1901 0.3002 ( 3676 PWs) bands (ev): -27.0469 -27.0469 -9.9018 -9.9018 -8.8037 -8.8037 -8.7401 -8.7401 -2.6176 -2.6176 -2.5122 -2.5122 -0.8588 -0.8588 -0.8423 -0.8423 -0.7396 -0.7396 -0.5803 -0.5803 -0.2007 -0.2007 -0.1380 -0.1380 -0.1158 -0.1158 -0.0261 -0.0261 0.1185 0.1185 0.3000 0.3000 3.9158 3.9158 4.2184 4.2184 6.1132 6.1132 6.3059 6.3059 7.0095 7.0095 7.3775 7.3775 9.7879 9.7879 10.3255 10.3255 10.4851 10.4851 10.7164 10.7164 k = 0.3415 0.1971 0.3002 ( 3674 PWs) bands (ev): -27.0467 -27.0467 -9.9031 -9.9031 -8.8059 -8.8059 -8.7409 -8.7409 -2.6124 -2.6124 -2.5013 -2.5013 -0.8563 -0.8563 -0.8408 -0.8408 -0.7324 -0.7324 -0.5701 -0.5701 -0.1986 -0.1986 -0.1381 -0.1381 -0.1105 -0.1105 -0.0251 -0.0251 0.1260 0.1260 0.3140 0.3140 3.8802 3.8802 4.1305 4.1305 6.0782 6.0782 6.2665 6.2665 7.0358 7.0358 7.3685 7.3685 9.7703 9.7703 10.2794 10.2794 10.4816 10.4816 10.6756 10.6756 k = 0.3537 0.2042 0.3002 ( 3682 PWs) bands (ev): -27.0465 -27.0465 -9.9044 -9.9044 -8.8081 -8.8081 -8.7416 -8.7416 -2.6075 -2.6075 -2.4911 -2.4911 -0.8540 -0.8540 -0.8394 -0.8394 -0.7257 -0.7257 -0.5600 -0.5600 -0.1969 -0.1969 -0.1394 -0.1394 -0.1058 -0.1058 -0.0224 -0.0224 0.1347 0.1347 0.3268 0.3268 3.8436 3.8436 4.0487 4.0487 6.0462 6.0462 6.2296 6.2296 7.0608 7.0608 7.3608 7.3608 9.7547 9.7547 10.2325 10.2325 10.4622 10.4622 10.6579 10.6579 k = 0.3659 0.2112 0.3002 ( 3678 PWs) bands (ev): -27.0463 -27.0463 -9.9056 -9.9056 -8.8102 -8.8102 -8.7422 -8.7422 -2.6030 -2.6030 -2.4815 -2.4815 -0.8518 -0.8518 -0.8380 -0.8380 -0.7196 -0.7196 -0.5499 -0.5499 -0.1954 -0.1954 -0.1413 -0.1413 -0.1022 -0.1022 -0.0181 -0.0181 0.1447 0.1447 0.3383 0.3383 3.8064 3.8064 3.9732 3.9732 6.0172 6.0172 6.1952 6.1952 7.0841 7.0841 7.3545 7.3545 9.7408 9.7408 10.1862 10.1862 10.4290 10.4290 10.6604 10.6604 k = 0.3780 0.2183 0.3002 ( 3674 PWs) bands (ev): -27.0461 -27.0461 -9.9067 -9.9067 -8.8122 -8.8122 -8.7427 -8.7427 -2.5989 -2.5989 -2.4726 -2.4726 -0.8496 -0.8496 -0.8367 -0.8367 -0.7141 -0.7141 -0.5402 -0.5402 -0.1941 -0.1941 -0.1437 -0.1437 -0.0999 -0.0999 -0.0125 -0.0125 0.1561 0.1561 0.3481 0.3481 3.7691 3.7691 3.9044 3.9044 5.9910 5.9910 6.1635 6.1635 7.1054 7.1054 7.3499 7.3499 9.7281 9.7281 10.1423 10.1423 10.3895 10.3895 10.6743 10.6743 k = 0.3902 0.2253 0.3002 ( 3682 PWs) bands (ev): -27.0460 -27.0460 -9.9077 -9.9077 -8.8141 -8.8141 -8.7431 -8.7431 -2.5951 -2.5951 -2.4644 -2.4644 -0.8476 -0.8476 -0.8356 -0.8356 -0.7091 -0.7091 -0.5309 -0.5309 -0.1929 -0.1929 -0.1465 -0.1465 -0.0985 -0.0985 -0.0063 -0.0063 0.1691 0.1691 0.3560 0.3560 3.7320 3.7320 3.8426 3.8426 5.9675 5.9675 6.1346 6.1346 7.1242 7.1242 7.3471 7.3471 9.7158 9.7158 10.1025 10.1025 10.3488 10.3488 10.6938 10.6938 k = 0.4024 0.2323 0.3002 ( 3672 PWs) bands (ev): -27.0458 -27.0458 -9.9087 -9.9087 -8.8159 -8.8159 -8.7433 -8.7433 -2.5917 -2.5917 -2.4570 -2.4570 -0.8457 -0.8457 -0.8346 -0.8346 -0.7048 -0.7048 -0.5221 -0.5221 -0.1917 -0.1917 -0.1496 -0.1496 -0.0977 -0.0977 0.0000 0.0000 0.1836 0.1836 0.3618 0.3618 3.6958 3.6958 3.7880 3.7880 5.9468 5.9468 6.1085 6.1085 7.1402 7.1402 7.3463 7.3463 9.7033 9.7033 10.0686 10.0686 10.3091 10.3091 10.7156 10.7156 k = 0.4146 0.2394 0.3002 ( 3668 PWs) bands (ev): -27.0457 -27.0457 -9.9095 -9.9095 -8.8176 -8.8176 -8.7436 -8.7436 -2.5887 -2.5887 -2.4504 -2.4504 -0.8439 -0.8439 -0.8338 -0.8338 -0.7009 -0.7009 -0.5140 -0.5140 -0.1905 -0.1905 -0.1528 -0.1528 -0.0975 -0.0975 0.0060 0.0060 0.1994 0.1994 0.3653 0.3653 3.6612 3.6612 3.7405 3.7405 5.9287 5.9287 6.0853 6.0853 7.1533 7.1533 7.3475 7.3475 9.6899 9.6899 10.0420 10.0420 10.2710 10.2710 10.7378 10.7378 k = 0.4268 0.2464 0.3002 ( 3666 PWs) bands (ev): -27.0456 -27.0456 -9.9103 -9.9103 -8.8190 -8.8190 -8.7438 -8.7438 -2.5861 -2.5861 -2.4447 -2.4447 -0.8422 -0.8422 -0.8331 -0.8331 -0.6977 -0.6977 -0.5068 -0.5068 -0.1891 -0.1891 -0.1562 -0.1562 -0.0974 -0.0974 0.0113 0.0113 0.2163 0.2163 0.3663 0.3663 3.6292 3.6292 3.6999 3.6999 5.9132 5.9132 6.0651 6.0651 7.1635 7.1635 7.3504 7.3504 9.6754 9.6754 10.0236 10.0236 10.2349 10.2349 10.7592 10.7592 k = 0.4390 0.2535 0.3002 ( 3662 PWs) bands (ev): -27.0455 -27.0455 -9.9110 -9.9110 -8.8203 -8.8203 -8.7439 -8.7439 -2.5839 -2.5839 -2.4398 -2.4398 -0.8406 -0.8406 -0.8327 -0.8327 -0.6949 -0.6949 -0.5004 -0.5004 -0.1877 -0.1877 -0.1597 -0.1597 -0.0975 -0.0975 0.0158 0.0158 0.2339 0.2339 0.3647 0.3647 3.6008 3.6008 3.6657 3.6657 5.9002 5.9002 6.0479 6.0479 7.1710 7.1710 7.3545 7.3545 9.6604 9.6604 10.0134 10.0134 10.2009 10.2009 10.7790 10.7790 k = 0.4512 0.2605 0.3002 ( 3670 PWs) bands (ev): -27.0454 -27.0454 -9.9115 -9.9115 -8.8213 -8.8213 -8.7440 -8.7440 -2.5821 -2.5821 -2.4358 -2.4358 -0.8393 -0.8393 -0.8324 -0.8324 -0.6927 -0.6927 -0.4951 -0.4951 -0.1861 -0.1861 -0.1631 -0.1631 -0.0976 -0.0976 0.0195 0.0195 0.2519 0.2519 0.3606 0.3606 3.5768 3.5768 3.6376 3.6376 5.8896 5.8896 6.0338 6.0338 7.1762 7.1762 7.3591 7.3591 9.6458 9.6458 10.0107 10.0107 10.1692 10.1692 10.7964 10.7964 k = 0.4634 0.2676 0.3002 ( 3662 PWs) bands (ev): -27.0453 -27.0453 -9.9119 -9.9119 -8.8221 -8.8221 -8.7440 -8.7440 -2.5807 -2.5807 -2.4327 -2.4327 -0.8381 -0.8381 -0.8323 -0.8323 -0.6909 -0.6909 -0.4909 -0.4909 -0.1844 -0.1844 -0.1663 -0.1663 -0.0978 -0.0978 0.0223 0.0223 0.2698 0.2698 0.3539 0.3539 3.5579 3.5579 3.6155 3.6155 5.8814 5.8814 6.0228 6.0228 7.1797 7.1797 7.3636 7.3636 9.6328 9.6328 10.0146 10.0146 10.1399 10.1399 10.8107 10.8107 k = 0.4756 0.2746 0.3002 ( 3662 PWs) bands (ev): -27.0453 -27.0453 -9.9122 -9.9122 -8.8227 -8.8227 -8.7441 -8.7441 -2.5797 -2.5797 -2.4304 -2.4304 -0.8372 -0.8372 -0.8323 -0.8323 -0.6897 -0.6897 -0.4878 -0.4878 -0.1825 -0.1825 -0.1693 -0.1693 -0.0979 -0.0979 0.0243 0.0243 0.2870 0.2870 0.3450 0.3450 3.5443 3.5443 3.5996 3.5996 5.8755 5.8755 6.0149 6.0149 7.1819 7.1819 7.3673 7.3673 9.6226 9.6226 10.0235 10.0235 10.1135 10.1135 10.8213 10.8213 k = 0.4878 0.2816 0.3002 ( 3658 PWs) bands (ev): -27.0452 -27.0452 -9.9124 -9.9124 -8.8231 -8.8231 -8.7441 -8.7441 -2.5791 -2.5791 -2.4291 -2.4291 -0.8366 -0.8366 -0.8323 -0.8323 -0.6889 -0.6889 -0.4859 -0.4859 -0.1808 -0.1808 -0.1717 -0.1717 -0.0979 -0.0979 0.0255 0.0255 0.3029 0.3029 0.3342 0.3342 3.5362 3.5362 3.5899 3.5899 5.8721 5.8721 6.0102 6.0102 7.1830 7.1830 7.3697 7.3697 9.6161 9.6161 10.0351 10.0351 10.0917 10.0917 10.8279 10.8279 k = 0.5000 0.2887 0.3002 ( 3664 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5789 -2.5789 -2.4286 -2.4286 -0.8363 -0.8363 -0.8324 -0.8324 -0.6887 -0.6887 -0.4853 -0.4853 -0.1799 -0.1799 -0.1728 -0.1728 -0.0980 -0.0980 0.0259 0.0259 0.3131 0.3131 0.3256 0.3256 3.5335 3.5335 3.5866 3.5866 5.8709 5.8709 6.0086 6.0086 7.1834 7.1834 7.3705 7.3705 9.6138 9.6138 10.0423 10.0423 10.0811 10.0811 10.8301 10.8301 k = 0.5000 0.2887 0.3002 ( 3664 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5789 -2.5789 -2.4286 -2.4286 -0.8363 -0.8363 -0.8324 -0.8324 -0.6887 -0.6887 -0.4853 -0.4853 -0.1799 -0.1799 -0.1728 -0.1728 -0.0980 -0.0980 0.0259 0.0259 0.3131 0.3131 0.3256 0.3256 3.5335 3.5335 3.5866 3.5866 5.8709 5.8709 6.0086 6.0086 7.1834 7.1834 7.3705 7.3705 9.6138 9.6138 10.0423 10.0423 10.0811 10.0811 10.8301 10.8301 k = 0.4931 0.3007 0.3002 ( 3664 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8231 -8.8231 -8.7443 -8.7443 -2.5786 -2.5786 -2.4286 -2.4286 -0.8371 -0.8371 -0.8315 -0.8315 -0.6888 -0.6888 -0.4852 -0.4852 -0.1801 -0.1801 -0.1724 -0.1724 -0.0979 -0.0979 0.0258 0.0258 0.3114 0.3114 0.3279 0.3279 3.5340 3.5340 3.5873 3.5873 5.8718 5.8718 6.0036 6.0036 7.1785 7.1785 7.3657 7.3657 9.6165 9.6165 10.0496 10.0496 10.0914 10.0914 10.8279 10.8279 k = 0.4861 0.3127 0.3002 ( 3652 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8229 -8.8229 -8.7446 -8.7446 -2.5777 -2.5777 -2.4288 -2.4288 -0.8386 -0.8386 -0.8298 -0.8298 -0.6891 -0.6891 -0.4850 -0.4850 -0.1806 -0.1806 -0.1713 -0.1713 -0.0979 -0.0979 0.0255 0.0255 0.3081 0.3081 0.3328 0.3328 3.5357 3.5357 3.5892 3.5892 5.8744 5.8744 5.9889 5.9889 7.1634 7.1634 7.3521 7.3521 9.6242 9.6242 10.0712 10.0712 10.1219 10.1219 10.8215 10.8215 k = 0.4792 0.3248 0.3002 ( 3652 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8226 -8.8226 -8.7452 -8.7452 -2.5763 -2.5763 -2.4289 -2.4289 -0.8403 -0.8403 -0.8279 -0.8279 -0.6896 -0.6896 -0.4846 -0.4846 -0.1810 -0.1810 -0.1698 -0.1698 -0.0978 -0.0978 0.0249 0.0249 0.3046 0.3046 0.3390 0.3390 3.5385 3.5385 3.5925 3.5925 5.8784 5.8784 5.9652 5.9652 7.1371 7.1371 7.3322 7.3322 9.6366 9.6366 10.1067 10.1067 10.1717 10.1717 10.8113 10.8113 k = 0.4722 0.3368 0.3002 ( 3660 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8222 -8.8222 -8.7461 -8.7461 -2.5744 -2.5744 -2.4292 -2.4292 -0.8419 -0.8419 -0.8258 -0.8258 -0.6903 -0.6903 -0.4840 -0.4840 -0.1813 -0.1813 -0.1681 -0.1681 -0.0977 -0.0977 0.0241 0.0241 0.3014 0.3014 0.3458 0.3458 3.5424 3.5424 3.5970 3.5970 5.8823 5.8823 5.9348 5.9348 7.0986 7.0986 7.3085 7.3085 9.6528 9.6528 10.1554 10.1554 10.2396 10.2396 10.7980 10.7980 k = 0.4653 0.3488 0.3002 ( 3668 PWs) bands (ev): -27.0452 -27.0452 -9.9127 -9.9127 -8.8216 -8.8216 -8.7471 -8.7471 -2.5720 -2.5720 -2.4296 -2.4296 -0.8435 -0.8435 -0.8237 -0.8237 -0.6912 -0.6912 -0.4833 -0.4833 -0.1812 -0.1812 -0.1662 -0.1662 -0.0975 -0.0975 0.0230 0.0230 0.2987 0.2987 0.3532 0.3532 3.5473 3.5473 3.6026 3.6026 5.8741 5.8741 5.9104 5.9104 7.0484 7.0484 7.2831 7.2831 9.6725 9.6725 10.2161 10.2161 10.3237 10.3237 10.7827 10.7827 k = 0.4583 0.3608 0.3002 ( 3668 PWs) bands (ev): -27.0451 -27.0451 -9.9128 -9.9128 -8.8210 -8.8210 -8.7484 -8.7484 -2.5690 -2.5690 -2.4300 -2.4300 -0.8450 -0.8450 -0.8215 -0.8215 -0.6923 -0.6923 -0.4824 -0.4824 -0.1809 -0.1809 -0.1642 -0.1642 -0.0972 -0.0972 0.0215 0.0215 0.2964 0.2964 0.3612 0.3612 3.5532 3.5532 3.6093 3.6093 5.8354 5.8354 5.9116 5.9116 6.9882 6.9882 7.2568 7.2568 9.6954 9.6954 10.2872 10.2872 10.4219 10.4219 10.7668 10.7668 k = 0.4514 0.3729 0.3002 ( 3678 PWs) bands (ev): -27.0451 -27.0451 -9.9130 -9.9130 -8.8202 -8.8202 -8.7499 -8.7499 -2.5657 -2.5657 -2.4306 -2.4306 -0.8464 -0.8464 -0.8193 -0.8193 -0.6936 -0.6936 -0.4813 -0.4813 -0.1801 -0.1801 -0.1622 -0.1622 -0.0969 -0.0969 0.0197 0.0197 0.2947 0.2947 0.3695 0.3695 3.5600 3.5600 3.6170 3.6170 5.7844 5.7844 5.9208 5.9208 6.9206 6.9206 7.2294 7.2294 9.7212 9.7212 10.3661 10.3661 10.5318 10.5318 10.7525 10.7525 k = 0.4444 0.3849 0.3002 ( 3674 PWs) bands (ev): -27.0450 -27.0450 -9.9131 -9.9131 -8.8193 -8.8193 -8.7516 -8.7516 -2.5619 -2.5619 -2.4312 -2.4312 -0.8478 -0.8478 -0.8170 -0.8170 -0.6950 -0.6950 -0.4800 -0.4800 -0.1791 -0.1791 -0.1601 -0.1601 -0.0965 -0.0965 0.0174 0.0174 0.2934 0.2934 0.3782 0.3782 3.5676 3.5676 3.6255 3.6255 5.7281 5.7281 5.9320 5.9320 6.8484 6.8484 7.2005 7.2005 9.7497 9.7497 10.4477 10.4477 10.6509 10.6509 10.7449 10.7449 k = 0.4375 0.3969 0.3002 ( 3670 PWs) bands (ev): -27.0450 -27.0450 -9.9133 -9.9133 -8.8183 -8.8183 -8.7534 -8.7534 -2.5577 -2.5577 -2.4319 -2.4319 -0.8490 -0.8490 -0.8147 -0.8147 -0.6966 -0.6966 -0.4784 -0.4784 -0.1777 -0.1777 -0.1580 -0.1580 -0.0959 -0.0959 0.0147 0.0147 0.2926 0.2926 0.3871 0.3871 3.5759 3.5759 3.6348 3.6348 5.6686 5.6686 5.9438 5.9438 6.7744 6.7744 7.1700 7.1700 9.7810 9.7810 10.5201 10.5201 10.7482 10.7482 10.7842 10.7842 k = 0.4306 0.4090 0.3002 ( 3670 PWs) bands (ev): -27.0450 -27.0450 -9.9134 -9.9134 -8.8172 -8.8172 -8.7554 -8.7554 -2.5532 -2.5532 -2.4327 -2.4327 -0.8501 -0.8501 -0.8124 -0.8124 -0.6982 -0.6982 -0.4768 -0.4768 -0.1761 -0.1761 -0.1557 -0.1557 -0.0953 -0.0953 0.0116 0.0116 0.2922 0.2922 0.3963 0.3963 3.5849 3.5849 3.6445 3.6445 5.6071 5.6071 5.9552 5.9552 6.7013 6.7013 7.1377 7.1377 9.8147 9.8147 10.5627 10.5627 10.7976 10.7976 10.9147 10.9147 k = 0.4236 0.4210 0.3002 ( 3666 PWs) bands (ev): -27.0449 -27.0449 -9.9136 -9.9136 -8.8160 -8.8160 -8.7575 -8.7575 -2.5485 -2.5485 -2.4337 -2.4337 -0.8511 -0.8511 -0.8101 -0.8101 -0.7000 -0.7000 -0.4749 -0.4749 -0.1743 -0.1743 -0.1533 -0.1533 -0.0945 -0.0945 0.0080 0.0080 0.2923 0.2923 0.4055 0.4055 3.5943 3.5943 3.6545 3.6545 5.5449 5.5449 5.9650 5.9650 6.6316 6.6316 7.1037 7.1037 9.8508 9.8508 10.5712 10.5712 10.8850 10.8850 11.0520 11.0520 k = 0.4167 0.4330 0.3002 ( 3670 PWs) bands (ev): -27.0449 -27.0449 -9.9138 -9.9138 -8.8148 -8.8148 -8.7597 -8.7597 -2.5436 -2.5436 -2.4347 -2.4347 -0.8520 -0.8520 -0.8079 -0.8079 -0.7019 -0.7019 -0.4729 -0.4729 -0.1725 -0.1725 -0.1506 -0.1506 -0.0937 -0.0937 0.0041 0.0041 0.2928 0.2928 0.4147 0.4147 3.6039 3.6039 3.6646 3.6646 5.4830 5.4830 5.9717 5.9717 6.5683 6.5683 7.0680 7.0680 9.8890 9.8890 10.5620 10.5620 10.9959 10.9959 11.1919 11.1919 k = 0.4097 0.4450 0.3002 ( 3664 PWs) bands (ev): -27.0448 -27.0448 -9.9140 -9.9140 -8.8135 -8.8135 -8.7620 -8.7620 -2.5385 -2.5385 -2.4358 -2.4358 -0.8528 -0.8528 -0.8056 -0.8056 -0.7038 -0.7038 -0.4708 -0.4708 -0.1708 -0.1708 -0.1475 -0.1475 -0.0927 -0.0927 -0.0002 -0.0002 0.2936 0.2936 0.4237 0.4237 3.6138 3.6138 3.6746 3.6746 5.4224 5.4224 5.9734 5.9734 6.5141 6.5141 7.0310 7.0310 9.9290 9.9290 10.5457 10.5457 11.1188 11.1188 11.3325 11.3325 k = 0.4028 0.4571 0.3002 ( 3676 PWs) bands (ev): -27.0447 -27.0447 -9.9142 -9.9142 -8.8121 -8.8121 -8.7643 -8.7643 -2.5334 -2.5334 -2.4369 -2.4369 -0.8536 -0.8536 -0.8034 -0.8034 -0.7058 -0.7058 -0.4686 -0.4686 -0.1693 -0.1693 -0.1442 -0.1442 -0.0917 -0.0917 -0.0047 -0.0047 0.2948 0.2948 0.4325 0.4325 3.6235 3.6235 3.6842 3.6842 5.3640 5.3640 5.9683 5.9683 6.4720 6.4720 6.9928 6.9928 9.9703 9.9703 10.5266 10.5266 11.2488 11.2488 11.4719 11.4719 k = 0.3958 0.4691 0.3002 ( 3676 PWs) bands (ev): -27.0447 -27.0447 -9.9144 -9.9144 -8.8107 -8.8107 -8.7666 -8.7666 -2.5283 -2.5283 -2.4382 -2.4382 -0.8541 -0.8541 -0.8013 -0.8013 -0.7077 -0.7077 -0.4663 -0.4663 -0.1680 -0.1680 -0.1405 -0.1405 -0.0906 -0.0906 -0.0095 -0.0095 0.2963 0.2963 0.4408 0.4408 3.6330 3.6330 3.6933 3.6933 5.3087 5.3087 5.9551 5.9551 6.4440 6.4440 6.9538 6.9538 10.0127 10.0127 10.5062 10.5062 11.3831 11.3831 11.6079 11.6079 k = 0.3889 0.4811 0.3002 ( 3684 PWs) bands (ev): -27.0446 -27.0446 -9.9146 -9.9146 -8.8093 -8.8093 -8.7689 -8.7689 -2.5233 -2.5233 -2.4395 -2.4395 -0.8547 -0.8547 -0.7992 -0.7992 -0.7095 -0.7095 -0.4641 -0.4641 -0.1669 -0.1669 -0.1365 -0.1365 -0.0894 -0.0894 -0.0144 -0.0144 0.2980 0.2980 0.4486 0.4486 3.6419 3.6419 3.7014 3.7014 5.2571 5.2571 5.9342 5.9342 6.4304 6.4304 6.9142 6.9142 10.0554 10.0554 10.4854 10.4854 11.5199 11.5199 11.7381 11.7381 k = 0.3819 0.4932 0.3002 ( 3684 PWs) bands (ev): -27.0446 -27.0446 -9.9148 -9.9148 -8.8079 -8.8079 -8.7712 -8.7712 -2.5185 -2.5185 -2.4408 -2.4408 -0.8551 -0.8551 -0.7973 -0.7973 -0.7113 -0.7113 -0.4619 -0.4619 -0.1661 -0.1661 -0.1324 -0.1324 -0.0882 -0.0882 -0.0193 -0.0193 0.2999 0.2999 0.4558 0.4558 3.6503 3.6503 3.7086 3.7086 5.2101 5.2101 5.9076 5.9076 6.4297 6.4297 6.8743 6.8743 10.0980 10.0980 10.4645 10.4645 11.6576 11.6576 11.8593 11.8593 k = 0.3750 0.5052 0.3002 ( 3674 PWs) bands (ev): -27.0446 -27.0446 -9.9150 -9.9150 -8.8065 -8.8065 -8.7734 -8.7734 -2.5140 -2.5140 -2.4421 -2.4421 -0.8554 -0.8554 -0.7955 -0.7955 -0.7128 -0.7128 -0.4597 -0.4597 -0.1655 -0.1655 -0.1283 -0.1283 -0.0869 -0.0869 -0.0241 -0.0241 0.3019 0.3019 0.4622 0.4622 3.6577 3.6577 3.7146 3.7146 5.1682 5.1682 5.8783 5.8783 6.4395 6.4395 6.8344 6.8344 10.1397 10.1397 10.4439 10.4439 11.7944 11.7944 11.9679 11.9679 k = 0.3681 0.5172 0.3002 ( 3674 PWs) bands (ev): -27.0445 -27.0445 -9.9152 -9.9152 -8.8052 -8.8052 -8.7754 -8.7754 -2.5099 -2.5099 -2.4433 -2.4433 -0.8556 -0.8556 -0.7938 -0.7938 -0.7143 -0.7143 -0.4578 -0.4578 -0.1651 -0.1651 -0.1245 -0.1245 -0.0856 -0.0856 -0.0287 -0.0287 0.3040 0.3040 0.4677 0.4677 3.6641 3.6641 3.7192 3.7192 5.1320 5.1320 5.8493 5.8493 6.4571 6.4571 6.7949 6.7949 10.1798 10.1798 10.4236 10.4236 11.9283 11.9283 12.0592 12.0592 k = 0.3611 0.5292 0.3002 ( 3674 PWs) bands (ev): -27.0445 -27.0445 -9.9153 -9.9153 -8.8040 -8.8040 -8.7771 -8.7771 -2.5064 -2.5064 -2.4443 -2.4443 -0.8558 -0.8558 -0.7924 -0.7924 -0.7155 -0.7155 -0.4561 -0.4561 -0.1648 -0.1648 -0.1211 -0.1211 -0.0842 -0.0842 -0.0329 -0.0329 0.3061 0.3061 0.4723 0.4723 3.6693 3.6693 3.7226 3.7226 5.1020 5.1020 5.8228 5.8228 6.4805 6.4805 6.7559 6.7559 10.2173 10.2173 10.4038 10.4038 12.0564 12.0564 12.1293 12.1293 k = 0.3542 0.5413 0.3002 ( 3670 PWs) bands (ev): -27.0445 -27.0445 -9.9155 -9.9155 -8.8029 -8.8029 -8.7786 -8.7786 -2.5034 -2.5034 -2.4452 -2.4452 -0.8559 -0.8559 -0.7912 -0.7912 -0.7165 -0.7165 -0.4546 -0.4546 -0.1646 -0.1646 -0.1183 -0.1183 -0.0829 -0.0829 -0.0364 -0.0364 0.3080 0.3080 0.4758 0.4758 3.6732 3.6732 3.7247 3.7247 5.0784 5.0784 5.8008 5.8008 6.5078 6.5078 6.7178 6.7178 10.2516 10.2516 10.3845 10.3845 12.1645 12.1645 12.1862 12.1862 k = 0.3472 0.5533 0.3002 ( 3670 PWs) bands (ev): -27.0444 -27.0444 -9.9155 -9.9155 -8.8021 -8.8021 -8.7798 -8.7798 -2.5013 -2.5013 -2.4459 -2.4459 -0.8560 -0.8560 -0.7904 -0.7904 -0.7172 -0.7172 -0.4535 -0.4535 -0.1645 -0.1645 -0.1162 -0.1162 -0.0818 -0.0818 -0.0392 -0.0392 0.3096 0.3096 0.4784 0.4784 3.6759 3.6759 3.7258 3.7258 5.0615 5.0615 5.7843 5.7843 6.5376 6.5376 6.6811 6.6811 10.2815 10.2815 10.3659 10.3659 12.1956 12.1956 12.2843 12.2843 k = 0.3403 0.5653 0.3002 ( 3662 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8016 -8.8016 -8.7805 -8.7805 -2.5000 -2.5000 -2.4462 -2.4462 -0.8560 -0.8560 -0.7898 -0.7898 -0.7176 -0.7176 -0.4528 -0.4528 -0.1645 -0.1645 -0.1150 -0.1150 -0.0810 -0.0810 -0.0409 -0.0409 0.3107 0.3107 0.4798 0.4798 3.6774 3.6774 3.7262 3.7262 5.0514 5.0514 5.7741 5.7741 6.5679 6.5679 6.6471 6.6471 10.3061 10.3061 10.3485 10.3485 12.2065 12.2065 12.3615 12.3616 k = 0.3333 0.5774 0.3002 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4995 -2.4995 -2.4463 -2.4463 -0.8560 -0.8560 -0.7896 -0.7896 -0.7177 -0.7177 -0.4525 -0.4525 -0.1645 -0.1645 -0.1146 -0.1146 -0.0808 -0.0808 -0.0415 -0.0415 0.3111 0.3111 0.4803 0.4803 3.6778 3.6778 3.7262 3.7262 5.0480 5.0480 5.7707 5.7707 6.5876 6.5876 6.6262 6.6262 10.3193 10.3193 10.3376 10.3376 12.2094 12.2094 12.3874 12.3874 k = 0.3333 0.5774 0.3002 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4995 -2.4995 -2.4463 -2.4463 -0.8560 -0.8560 -0.7896 -0.7896 -0.7177 -0.7177 -0.4525 -0.4525 -0.1645 -0.1645 -0.1146 -0.1146 -0.0808 -0.0808 -0.0415 -0.0415 0.3111 0.3111 0.4803 0.4803 3.6778 3.6778 3.7262 3.7262 5.0480 5.0480 5.7707 5.7707 6.5876 6.5876 6.6262 6.6262 10.3193 10.3193 10.3376 10.3376 12.2094 12.2094 12.3874 12.3874 k = 0.3264 0.5653 0.3002 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8016 -8.8016 -8.7805 -8.7805 -2.5000 -2.5000 -2.4463 -2.4463 -0.8560 -0.8560 -0.7898 -0.7898 -0.7176 -0.7176 -0.4528 -0.4528 -0.1645 -0.1645 -0.1150 -0.1150 -0.0810 -0.0810 -0.0410 -0.0410 0.3106 0.3106 0.4799 0.4799 3.6775 3.6775 3.7263 3.7263 5.0513 5.0513 5.7741 5.7741 6.5682 6.5682 6.6466 6.6466 10.3088 10.3088 10.3457 10.3457 12.2061 12.2061 12.3755 12.3755 k = 0.3194 0.5533 0.3002 ( 3662 PWs) bands (ev): -27.0444 -27.0444 -9.9155 -9.9155 -8.8020 -8.8020 -8.7799 -8.7799 -2.5012 -2.5012 -2.4461 -2.4461 -0.8560 -0.8560 -0.7904 -0.7904 -0.7172 -0.7172 -0.4536 -0.4536 -0.1645 -0.1645 -0.1161 -0.1161 -0.0816 -0.0816 -0.0395 -0.0395 0.3090 0.3090 0.4786 0.4786 3.6769 3.6769 3.7269 3.7269 5.0610 5.0610 5.7844 5.7844 6.5387 6.5387 6.6790 6.6790 10.2931 10.2931 10.3541 10.3541 12.1925 12.1925 12.3552 12.3552 k = 0.3125 0.5413 0.3002 ( 3670 PWs) bands (ev): -27.0445 -27.0445 -9.9154 -9.9154 -8.8026 -8.8026 -8.7789 -8.7789 -2.5032 -2.5032 -2.4459 -2.4459 -0.8560 -0.8560 -0.7913 -0.7913 -0.7166 -0.7166 -0.4551 -0.4551 -0.1644 -0.1644 -0.1178 -0.1178 -0.0825 -0.0825 -0.0375 -0.0375 0.3060 0.3060 0.4765 0.4765 3.6765 3.6765 3.7284 3.7284 5.0768 5.0768 5.8013 5.8013 6.5094 6.5094 6.7126 6.7126 10.2776 10.2776 10.3579 10.3579 12.1634 12.1634 12.3339 12.3339 k = 0.3056 0.5292 0.3002 ( 3670 PWs) bands (ev): -27.0445 -27.0445 -9.9152 -9.9152 -8.8032 -8.8032 -8.7777 -8.7777 -2.5058 -2.5058 -2.4458 -2.4458 -0.8560 -0.8560 -0.7926 -0.7926 -0.7159 -0.7159 -0.4573 -0.4573 -0.1643 -0.1643 -0.1200 -0.1200 -0.0835 -0.0835 -0.0352 -0.0352 0.3016 0.3016 0.4737 0.4737 3.6770 3.6770 3.7310 3.7310 5.0984 5.0984 5.8245 5.8245 6.4815 6.4815 6.7459 6.7459 10.2626 10.2626 10.3573 10.3573 12.1190 12.1190 12.3089 12.3089 k = 0.2986 0.5172 0.3002 ( 3662 PWs) bands (ev): -27.0445 -27.0445 -9.9150 -9.9150 -8.8038 -8.8038 -8.7763 -8.7763 -2.5089 -2.5089 -2.4461 -2.4461 -0.8560 -0.8560 -0.7942 -0.7942 -0.7150 -0.7150 -0.4602 -0.4602 -0.1641 -0.1641 -0.1226 -0.1226 -0.0844 -0.0844 -0.0328 -0.0328 0.2955 0.2955 0.4704 0.4704 3.6791 3.6791 3.7350 3.7350 5.1255 5.1255 5.8536 5.8536 6.4556 6.4556 6.7783 6.7783 10.2485 10.2485 10.3529 10.3529 12.0642 12.0642 12.2812 12.2812 k = 0.2917 0.5052 0.3002 ( 3666 PWs) bands (ev): -27.0446 -27.0446 -9.9147 -9.9147 -8.8044 -8.8044 -8.7748 -8.7748 -2.5126 -2.5126 -2.4466 -2.4466 -0.8561 -0.8561 -0.7961 -0.7961 -0.7141 -0.7141 -0.4638 -0.4638 -0.1639 -0.1639 -0.1255 -0.1255 -0.0852 -0.0852 -0.0304 -0.0304 0.2877 0.2877 0.4664 0.4664 3.6835 3.6835 3.7407 3.7407 5.1575 5.1575 5.8882 5.8882 6.4317 6.4317 6.8092 6.8092 10.2353 10.2353 10.3456 10.3456 12.0038 12.0038 12.2538 12.2538 k = 0.2847 0.4932 0.3002 ( 3662 PWs) bands (ev): -27.0447 -27.0447 -9.9143 -9.9143 -8.8049 -8.8049 -8.7732 -8.7732 -2.5166 -2.5166 -2.4477 -2.4477 -0.8562 -0.8562 -0.7982 -0.7982 -0.7133 -0.7133 -0.4682 -0.4682 -0.1636 -0.1636 -0.1285 -0.1285 -0.0859 -0.0859 -0.0283 -0.0283 0.2783 0.2783 0.4618 0.4618 3.6908 3.6908 3.7482 3.7482 5.1943 5.1943 5.9278 5.9278 6.4101 6.4101 6.8383 6.8383 10.2232 10.2232 10.3363 10.3363 11.9409 11.9409 12.2280 12.2280 k = 0.2778 0.4811 0.3002 ( 3658 PWs) bands (ev): -27.0448 -27.0448 -9.9138 -9.9138 -8.8052 -8.8052 -8.7716 -8.7716 -2.5210 -2.5210 -2.4492 -2.4492 -0.8563 -0.8563 -0.8006 -0.8006 -0.7126 -0.7126 -0.4733 -0.4733 -0.1634 -0.1634 -0.1316 -0.1316 -0.0864 -0.0864 -0.0265 -0.0265 0.2673 0.2673 0.4565 0.4565 3.7017 3.7017 3.7576 3.7576 5.2354 5.2354 5.9718 5.9718 6.3907 6.3907 6.8653 6.8653 10.2124 10.2124 10.3259 10.3259 11.8777 11.8777 12.2035 12.2035 k = 0.2708 0.4691 0.3002 ( 3658 PWs) bands (ev): -27.0449 -27.0449 -9.9133 -9.9133 -8.8054 -8.8054 -8.7699 -8.7699 -2.5258 -2.5258 -2.4513 -2.4513 -0.8565 -0.8565 -0.8032 -0.8032 -0.7120 -0.7120 -0.4792 -0.4792 -0.1632 -0.1632 -0.1345 -0.1345 -0.0868 -0.0868 -0.0251 -0.0251 0.2550 0.2550 0.4504 0.4504 3.7164 3.7164 3.7692 3.7692 5.2805 5.2805 6.0199 6.0199 6.3739 6.3739 6.8898 6.8898 10.2029 10.2029 10.3152 10.3152 11.8157 11.8157 12.1789 12.1789 k = 0.2639 0.4571 0.3002 ( 3658 PWs) bands (ev): -27.0450 -27.0450 -9.9127 -9.9127 -8.8055 -8.8055 -8.7682 -8.7682 -2.5308 -2.5308 -2.4541 -2.4541 -0.8568 -0.8568 -0.8059 -0.8059 -0.7118 -0.7118 -0.4858 -0.4858 -0.1634 -0.1634 -0.1372 -0.1372 -0.0870 -0.0870 -0.0241 -0.0241 0.2417 0.2417 0.4434 0.4434 3.7352 3.7352 3.7832 3.7832 5.3293 5.3293 6.0713 6.0713 6.3598 6.3598 6.9116 6.9116 10.1951 10.1951 10.3050 10.3050 11.7561 11.7561 12.1509 12.1509 k = 0.2569 0.4450 0.3002 ( 3662 PWs) bands (ev): -27.0451 -27.0451 -9.9120 -9.9120 -8.8053 -8.8053 -8.7665 -8.7665 -2.5362 -2.5362 -2.4575 -2.4575 -0.8572 -0.8572 -0.8088 -0.8088 -0.7118 -0.7118 -0.4931 -0.4931 -0.1639 -0.1639 -0.1395 -0.1395 -0.0871 -0.0871 -0.0236 -0.0236 0.2276 0.2276 0.4354 0.4354 3.7578 3.7578 3.8003 3.8003 5.3816 5.3816 6.1253 6.1253 6.3486 6.3486 6.9304 6.9304 10.1889 10.1889 10.2958 10.2958 11.6998 11.6998 12.1142 12.1142 k = 0.2500 0.4330 0.3002 ( 3662 PWs) bands (ev): -27.0452 -27.0452 -9.9112 -9.9112 -8.8051 -8.8051 -8.7647 -8.7647 -2.5418 -2.5418 -2.4615 -2.4615 -0.8576 -0.8576 -0.8118 -0.8118 -0.7123 -0.7123 -0.5011 -0.5011 -0.1651 -0.1651 -0.1410 -0.1410 -0.0871 -0.0871 -0.0236 -0.0236 0.2131 0.2131 0.4264 0.4264 3.7832 3.7832 3.8217 3.8217 5.4371 5.4371 6.1808 6.1808 6.3413 6.3413 6.9460 6.9460 10.1848 10.1848 10.2882 10.2882 11.6475 11.6475 12.0657 12.0657 k = 0.2431 0.4210 0.3002 ( 3670 PWs) bands (ev): -27.0454 -27.0454 -9.9104 -9.9104 -8.8046 -8.8046 -8.7629 -8.7629 -2.5476 -2.5476 -2.4663 -2.4663 -0.8581 -0.8581 -0.8148 -0.8148 -0.7132 -0.7132 -0.5097 -0.5097 -0.1671 -0.1671 -0.1419 -0.1419 -0.0872 -0.0872 -0.0242 -0.0242 0.1985 0.1985 0.4162 0.4162 3.8088 3.8088 3.8500 3.8500 5.4955 5.4955 6.2352 6.2352 6.3399 6.3399 6.9583 6.9583 10.1827 10.1827 10.2826 10.2826 11.5999 11.5999 12.0076 12.0076 k = 0.2361 0.4090 0.3002 ( 3660 PWs) bands (ev): -27.0455 -27.0455 -9.9094 -9.9094 -8.8040 -8.8040 -8.7611 -8.7611 -2.5537 -2.5537 -2.4717 -2.4717 -0.8587 -0.8587 -0.8179 -0.8179 -0.7147 -0.7147 -0.5187 -0.5187 -0.1698 -0.1698 -0.1420 -0.1420 -0.0873 -0.0873 -0.0251 -0.0251 0.1841 0.1841 0.4050 0.4050 3.8330 3.8330 3.8870 3.8870 5.5567 5.5567 6.2793 6.2793 6.3532 6.3532 6.9672 6.9672 10.1829 10.1829 10.2791 10.2791 11.5575 11.5575 11.9434 11.9434 k = 0.2292 0.3969 0.3002 ( 3658 PWs) bands (ev): -27.0457 -27.0457 -9.9084 -9.9084 -8.8033 -8.8033 -8.7593 -8.7593 -2.5600 -2.5600 -2.4779 -2.4779 -0.8593 -0.8593 -0.8210 -0.8210 -0.7167 -0.7167 -0.5282 -0.5282 -0.1731 -0.1731 -0.1416 -0.1416 -0.0877 -0.0877 -0.0264 -0.0264 0.1703 0.1703 0.3927 0.3927 3.8561 3.8561 3.9321 3.9321 5.6205 5.6205 6.3000 6.3000 6.3940 6.3940 6.9727 6.9727 10.1857 10.1857 10.2780 10.2780 11.5208 11.5208 11.8758 11.8758 k = 0.2222 0.3849 0.3002 ( 3660 PWs) bands (ev): -27.0459 -27.0459 -9.9074 -9.9074 -8.8024 -8.8024 -8.7575 -8.7575 -2.5665 -2.5665 -2.4847 -2.4847 -0.8601 -0.8601 -0.8242 -0.8242 -0.7194 -0.7194 -0.5380 -0.5380 -0.1768 -0.1768 -0.1409 -0.1409 -0.0887 -0.0887 -0.0278 -0.0278 0.1574 0.1574 0.3794 0.3794 3.8790 3.8790 3.9844 3.9844 5.6867 5.6867 6.3081 6.3081 6.4510 6.4510 6.9749 6.9749 10.1911 10.1911 10.2793 10.2793 11.4900 11.4900 11.8059 11.8059 k = 0.2153 0.3729 0.3002 ( 3660 PWs) bands (ev): -27.0461 -27.0461 -9.9063 -9.9063 -8.8015 -8.8015 -8.7556 -8.7556 -2.5732 -2.5732 -2.4922 -2.4922 -0.8610 -0.8610 -0.8273 -0.8273 -0.7227 -0.7227 -0.5480 -0.5480 -0.1808 -0.1808 -0.1399 -0.1399 -0.0904 -0.0904 -0.0290 -0.0290 0.1454 0.1454 0.3652 0.3652 3.9021 3.9021 4.0432 4.0432 5.7551 5.7551 6.3145 6.3145 6.5128 6.5128 6.9740 6.9740 10.1993 10.1993 10.2829 10.2829 11.4656 11.4656 11.7346 11.7346 k = 0.2083 0.3608 0.3002 ( 3662 PWs) bands (ev): -27.0463 -27.0463 -9.9051 -9.9051 -8.8004 -8.8004 -8.7537 -8.7537 -2.5801 -2.5801 -2.5004 -2.5004 -0.8620 -0.8620 -0.8304 -0.8304 -0.7268 -0.7268 -0.5582 -0.5582 -0.1850 -0.1850 -0.1390 -0.1390 -0.0933 -0.0933 -0.0296 -0.0296 0.1346 0.1346 0.3502 0.3502 3.9255 3.9255 4.1081 4.1081 5.8255 5.8255 6.3222 6.3222 6.5759 6.5759 6.9701 6.9701 10.2104 10.2104 10.2888 10.2888 11.4473 11.4473 11.6624 11.6624 k = 0.2014 0.3488 0.3002 ( 3658 PWs) bands (ev): -27.0465 -27.0465 -9.9038 -9.9038 -8.7992 -8.7992 -8.7517 -8.7517 -2.5872 -2.5872 -2.5091 -2.5091 -0.8632 -0.8632 -0.8334 -0.8334 -0.7316 -0.7316 -0.5683 -0.5683 -0.1894 -0.1894 -0.1382 -0.1382 -0.0972 -0.0972 -0.0295 -0.0295 0.1250 0.1250 0.3346 0.3346 3.9490 3.9490 4.1788 4.1788 5.8979 5.8979 6.3322 6.3322 6.6388 6.6388 6.9636 6.9636 10.2246 10.2246 10.2968 10.2968 11.4346 11.4346 11.5897 11.5897 k = 0.1944 0.3368 0.3002 ( 3666 PWs) bands (ev): -27.0467 -27.0467 -9.9026 -9.9026 -8.7980 -8.7980 -8.7496 -8.7496 -2.5945 -2.5945 -2.5185 -2.5185 -0.8645 -0.8645 -0.8363 -0.8363 -0.7371 -0.7371 -0.5784 -0.5784 -0.1940 -0.1940 -0.1376 -0.1376 -0.1022 -0.1022 -0.0285 -0.0285 0.1166 0.1166 0.3184 0.3184 3.9725 3.9725 4.2551 4.2551 5.9721 5.9721 6.3447 6.3447 6.7003 6.7003 6.9554 6.9554 10.2418 10.2418 10.3067 10.3067 11.4247 11.4247 11.5173 11.5173 k = 0.1875 0.3248 0.3002 ( 3678 PWs) bands (ev): -27.0469 -27.0469 -9.9012 -9.9012 -8.7967 -8.7967 -8.7475 -8.7475 -2.6019 -2.6019 -2.5285 -2.5285 -0.8659 -0.8659 -0.8391 -0.8391 -0.7434 -0.7434 -0.5883 -0.5883 -0.1986 -0.1986 -0.1376 -0.1376 -0.1079 -0.1079 -0.0265 -0.0265 0.1092 0.1092 0.3019 0.3019 3.9959 3.9959 4.3369 4.3369 6.0478 6.0478 6.3600 6.3600 6.7587 6.7587 6.9467 6.9467 10.2620 10.2620 10.3184 10.3184 11.4037 11.4037 11.4466 11.4466 k = 0.1806 0.3127 0.3002 ( 3674 PWs) bands (ev): -27.0472 -27.0472 -9.8999 -9.8999 -8.7955 -8.7955 -8.7453 -8.7453 -2.6095 -2.6095 -2.5390 -2.5390 -0.8675 -0.8675 -0.8418 -0.8418 -0.7504 -0.7504 -0.5979 -0.5979 -0.2034 -0.2034 -0.1384 -0.1384 -0.1136 -0.1136 -0.0236 -0.0236 0.1028 0.1028 0.2852 0.2852 4.0189 4.0189 4.4238 4.4238 6.1250 6.1250 6.3782 6.3782 6.8099 6.8099 6.9415 6.9415 10.2849 10.2849 10.3316 10.3316 11.3486 11.3486 11.3773 11.3773 k = 0.1736 0.3007 0.3002 ( 3678 PWs) bands (ev): -27.0474 -27.0474 -9.8985 -9.8985 -8.7942 -8.7942 -8.7430 -8.7430 -2.6172 -2.6172 -2.5499 -2.5499 -0.8693 -0.8693 -0.8442 -0.8442 -0.7581 -0.7581 -0.6072 -0.6072 -0.2082 -0.2082 -0.1406 -0.1406 -0.1186 -0.1186 -0.0201 -0.0201 0.0972 0.0972 0.2686 0.2686 4.0414 4.0414 4.5157 4.5157 6.2035 6.2035 6.3993 6.3993 6.8437 6.8437 6.9500 6.9500 10.3097 10.3097 10.3464 10.3464 11.2781 11.2781 11.3098 11.3098 k = 0.1667 0.2887 0.3002 ( 3678 PWs) bands (ev): -27.0477 -27.0477 -9.8971 -9.8971 -8.7930 -8.7930 -8.7405 -8.7405 -2.6250 -2.6250 -2.5612 -2.5612 -0.8713 -0.8713 -0.8464 -0.8464 -0.7663 -0.7663 -0.6162 -0.6162 -0.2132 -0.2132 -0.1446 -0.1446 -0.1221 -0.1221 -0.0160 -0.0160 0.0922 0.0922 0.2521 0.2521 4.0631 4.0631 4.6123 4.6123 6.2830 6.2830 6.4233 6.4233 6.8504 6.8504 6.9816 6.9816 10.3336 10.3336 10.3641 10.3641 11.2049 11.2049 11.2468 11.2468 k = 0.1597 0.2766 0.3002 ( 3674 PWs) bands (ev): -27.0479 -27.0479 -9.8956 -9.8956 -8.7918 -8.7918 -8.7380 -8.7380 -2.6329 -2.6329 -2.5729 -2.5729 -0.8735 -0.8735 -0.8485 -0.8485 -0.7749 -0.7749 -0.6248 -0.6248 -0.2182 -0.2182 -0.1501 -0.1501 -0.1242 -0.1242 -0.0115 -0.0115 0.0876 0.0876 0.2360 0.2360 4.0840 4.0840 4.7133 4.7133 6.3632 6.3632 6.4504 6.4504 6.8404 6.8404 7.0261 7.0261 10.3513 10.3513 10.3884 10.3884 11.1319 11.1319 11.1908 11.1908 k = 0.1528 0.2646 0.3002 ( 3678 PWs) bands (ev): -27.0482 -27.0482 -9.8942 -9.8942 -8.7907 -8.7907 -8.7353 -8.7353 -2.6409 -2.6409 -2.5849 -2.5849 -0.8758 -0.8758 -0.8503 -0.8503 -0.7839 -0.7839 -0.6330 -0.6330 -0.2233 -0.2233 -0.1563 -0.1563 -0.1256 -0.1256 -0.0066 -0.0066 0.0834 0.0834 0.2204 0.2204 4.1039 4.1039 4.8185 4.8185 6.4434 6.4434 6.4810 6.4810 6.8240 6.8240 7.0733 7.0733 10.3601 10.3601 10.4191 10.4191 11.0600 11.0600 11.1446 11.1446 k = 0.1458 0.2526 0.3002 ( 3678 PWs) bands (ev): -27.0484 -27.0484 -9.8928 -9.8928 -8.7896 -8.7896 -8.7326 -8.7326 -2.6489 -2.6489 -2.5971 -2.5971 -0.8783 -0.8783 -0.8521 -0.8521 -0.7929 -0.7929 -0.6410 -0.6410 -0.2285 -0.2285 -0.1626 -0.1626 -0.1268 -0.1268 -0.0015 -0.0015 0.0795 0.0795 0.2054 0.2054 4.1226 4.1226 4.9275 4.9275 6.5088 6.5088 6.5294 6.5294 6.8053 6.8053 7.1195 7.1195 10.3598 10.3598 10.4525 10.4525 10.9905 10.9905 11.1112 11.1112 k = 0.1389 0.2406 0.3002 ( 3682 PWs) bands (ev): -27.0486 -27.0486 -9.8914 -9.8914 -8.7887 -8.7887 -8.7297 -8.7297 -2.6569 -2.6569 -2.6094 -2.6094 -0.8810 -0.8810 -0.8538 -0.8538 -0.8019 -0.8019 -0.6486 -0.6486 -0.2337 -0.2337 -0.1687 -0.1687 -0.1280 -0.1280 0.0038 0.0038 0.0757 0.0757 0.1913 0.1913 4.1401 4.1401 5.0400 5.0400 6.5459 6.5459 6.6083 6.6083 6.7863 6.7863 7.1633 7.1633 10.3490 10.3490 10.4849 10.4849 10.9259 10.9259 11.0934 11.0934 k = 0.1319 0.2285 0.3002 ( 3678 PWs) bands (ev): -27.0489 -27.0489 -9.8900 -9.8900 -8.7878 -8.7878 -8.7268 -8.7268 -2.6649 -2.6649 -2.6217 -2.6217 -0.8836 -0.8836 -0.8555 -0.8555 -0.8105 -0.8105 -0.6559 -0.6559 -0.2389 -0.2389 -0.1744 -0.1744 -0.1293 -0.1293 0.0091 0.0091 0.0719 0.0719 0.1782 0.1782 4.1563 4.1563 5.1556 5.1556 6.5831 6.5831 6.6867 6.6867 6.7702 6.7702 7.2042 7.2042 10.3262 10.3262 10.5112 10.5112 10.8707 10.8707 11.0930 11.0930 k = 0.1250 0.2165 0.3002 ( 3688 PWs) bands (ev): -27.0491 -27.0491 -9.8886 -9.8886 -8.7870 -8.7870 -8.7238 -8.7238 -2.6728 -2.6728 -2.6341 -2.6341 -0.8864 -0.8864 -0.8576 -0.8576 -0.8186 -0.8186 -0.6629 -0.6629 -0.2440 -0.2440 -0.1797 -0.1797 -0.1309 -0.1309 0.0144 0.0144 0.0682 0.0682 0.1662 0.1662 4.1712 4.1712 5.2739 5.2739 6.6208 6.6208 6.7358 6.7358 6.7856 6.7856 7.2418 7.2418 10.2908 10.2908 10.5228 10.5228 10.8332 10.8332 11.1107 11.1107 k = 0.1181 0.2045 0.3002 ( 3688 PWs) bands (ev): -27.0494 -27.0494 -9.8873 -9.8873 -8.7863 -8.7863 -8.7208 -8.7208 -2.6807 -2.6807 -2.6463 -2.6463 -0.8892 -0.8892 -0.8602 -0.8602 -0.8256 -0.8256 -0.6697 -0.6697 -0.2489 -0.2489 -0.1845 -0.1845 -0.1328 -0.1328 0.0197 0.0197 0.0646 0.0646 0.1553 0.1553 4.1848 4.1848 5.3943 5.3943 6.6542 6.6542 6.7349 6.7349 6.8582 6.8582 7.2761 7.2761 10.2435 10.2435 10.5100 10.5100 10.8227 10.8227 11.1453 11.1453 k = 0.1111 0.1925 0.3002 ( 3692 PWs) bands (ev): -27.0496 -27.0496 -9.8860 -9.8860 -8.7856 -8.7856 -8.7178 -8.7178 -2.6885 -2.6885 -2.6583 -2.6583 -0.8919 -0.8919 -0.8638 -0.8638 -0.8313 -0.8313 -0.6762 -0.6762 -0.2537 -0.2537 -0.1890 -0.1890 -0.1351 -0.1351 0.0247 0.0247 0.0610 0.0610 0.1456 0.1456 4.1970 4.1970 5.5160 5.5160 6.6704 6.6704 6.7488 6.7488 6.9363 6.9363 7.3071 7.3071 10.1857 10.1857 10.4724 10.4724 10.8394 10.8394 11.1947 11.1947 k = 0.1042 0.1804 0.3002 ( 3684 PWs) bands (ev): -27.0498 -27.0498 -9.8847 -9.8847 -8.7851 -8.7851 -8.7147 -8.7147 -2.6961 -2.6961 -2.6700 -2.6700 -0.8946 -0.8946 -0.8683 -0.8683 -0.8353 -0.8353 -0.6826 -0.6826 -0.2582 -0.2582 -0.1930 -0.1930 -0.1377 -0.1377 0.0293 0.0293 0.0578 0.0578 0.1371 0.1371 4.2079 4.2079 5.6381 5.6381 6.6681 6.6681 6.7853 6.7853 7.0137 7.0137 7.3349 7.3349 10.1188 10.1188 10.4189 10.4189 10.8740 10.8740 11.2568 11.2568 k = 0.0972 0.1684 0.3002 ( 3680 PWs) bands (ev): -27.0501 -27.0501 -9.8836 -9.8836 -8.7846 -8.7846 -8.7117 -8.7117 -2.7037 -2.7037 -2.6812 -2.6812 -0.8973 -0.8973 -0.8738 -0.8738 -0.8378 -0.8378 -0.6887 -0.6887 -0.2624 -0.2624 -0.1967 -0.1967 -0.1405 -0.1405 0.0332 0.0332 0.0552 0.0552 0.1297 0.1297 4.2176 4.2176 5.7591 5.7591 6.6621 6.6621 6.8315 6.8315 7.0892 7.0892 7.3597 7.3597 10.0440 10.0440 10.3575 10.3575 10.9177 10.9177 11.3291 11.3291 k = 0.0903 0.1564 0.3002 ( 3684 PWs) bands (ev): -27.0503 -27.0503 -9.8824 -9.8824 -8.7842 -8.7842 -8.7087 -8.7087 -2.7111 -2.7111 -2.6919 -2.6919 -0.8998 -0.8998 -0.8798 -0.8798 -0.8392 -0.8392 -0.6946 -0.6946 -0.2663 -0.2663 -0.2001 -0.2001 -0.1436 -0.1436 0.0356 0.0356 0.0539 0.0539 0.1234 0.1234 4.2261 4.2261 5.8767 5.8767 6.6598 6.6598 6.8815 6.8815 7.1621 7.1621 7.3817 7.3817 9.9620 9.9620 10.2930 10.2930 10.9653 10.9653 11.4090 11.4090 k = 0.0833 0.1443 0.3002 ( 3684 PWs) bands (ev): -27.0505 -27.0505 -9.8814 -9.8814 -8.7839 -8.7839 -8.7059 -8.7059 -2.7184 -2.7184 -2.7020 -2.7020 -0.9023 -0.9023 -0.8859 -0.8859 -0.8397 -0.8397 -0.7002 -0.7002 -0.2698 -0.2698 -0.2033 -0.2033 -0.1469 -0.1469 0.0360 0.0360 0.0546 0.0546 0.1181 0.1181 4.2334 4.2334 5.9877 5.9877 6.6660 6.6660 6.9337 6.9337 7.2317 7.2317 7.4012 7.4012 9.8734 9.8734 10.2279 10.2279 11.0131 11.0131 11.4921 11.4921 k = 0.0764 0.1323 0.3002 ( 3676 PWs) bands (ev): -27.0506 -27.0506 -9.8804 -9.8804 -8.7836 -8.7836 -8.7031 -8.7031 -2.7256 -2.7256 -2.7111 -2.7111 -0.9046 -0.9046 -0.8919 -0.8919 -0.8397 -0.8397 -0.7056 -0.7056 -0.2730 -0.2730 -0.2062 -0.2062 -0.1503 -0.1503 0.0348 0.0348 0.0569 0.0569 0.1136 0.1136 4.2398 4.2398 6.0872 6.0872 6.6858 6.6858 6.9871 6.9871 7.2972 7.2972 7.4188 7.4188 9.7785 9.7785 10.1639 10.1639 11.0585 11.0585 11.5649 11.5650 k = 0.0694 0.1203 0.3002 ( 3688 PWs) bands (ev): -27.0508 -27.0508 -9.8794 -9.8794 -8.7833 -8.7833 -8.7005 -8.7005 -2.7328 -2.7328 -2.7193 -2.7193 -0.9068 -0.9068 -0.8976 -0.8976 -0.8392 -0.8392 -0.7108 -0.7108 -0.2758 -0.2758 -0.2090 -0.2090 -0.1537 -0.1537 0.0328 0.0328 0.0599 0.0599 0.1098 0.1098 4.2451 4.2451 6.1691 6.1691 6.7248 6.7248 7.0410 7.0410 7.3576 7.3576 7.4350 7.4350 9.6779 9.6779 10.1021 10.1021 11.0990 11.0990 11.5789 11.5789 k = 0.0625 0.1083 0.3002 ( 3680 PWs) bands (ev): -27.0510 -27.0510 -9.8786 -9.8786 -8.7831 -8.7831 -8.6980 -8.6980 -2.7400 -2.7400 -2.7264 -2.7264 -0.9089 -0.9089 -0.9029 -0.9029 -0.8385 -0.8385 -0.7157 -0.7157 -0.2783 -0.2783 -0.2116 -0.2116 -0.1570 -0.1570 0.0306 0.0306 0.0632 0.0632 0.1066 0.1066 4.2497 4.2497 6.2291 6.2291 6.7869 6.7869 7.0946 7.0946 7.4105 7.4105 7.4520 7.4520 9.5720 9.5720 10.0435 10.0435 11.1328 11.1328 11.5246 11.5246 k = 0.0556 0.0962 0.3002 ( 3684 PWs) bands (ev): -27.0511 -27.0511 -9.8778 -9.8778 -8.7830 -8.7830 -8.6958 -8.6958 -2.7469 -2.7469 -2.7325 -2.7325 -0.9110 -0.9110 -0.9075 -0.9075 -0.8376 -0.8376 -0.7202 -0.7202 -0.2804 -0.2804 -0.2141 -0.2141 -0.1602 -0.1602 0.0285 0.0285 0.0663 0.0663 0.1040 0.1040 4.2534 4.2534 6.2680 6.2680 6.8706 6.8706 7.1472 7.1472 7.4473 7.4473 7.4785 7.4785 9.4617 9.4617 9.9888 9.9888 11.1583 11.1583 11.4564 11.4564 k = 0.0486 0.0842 0.3002 ( 3688 PWs) bands (ev): -27.0513 -27.0513 -9.8771 -9.8771 -8.7828 -8.7828 -8.6937 -8.6937 -2.7534 -2.7534 -2.7378 -2.7378 -0.9134 -0.9134 -0.9110 -0.9110 -0.8366 -0.8366 -0.7244 -0.7244 -0.2822 -0.2822 -0.2164 -0.2164 -0.1631 -0.1631 0.0267 0.0267 0.0692 0.0692 0.1019 0.1019 4.2565 4.2565 6.2905 6.2905 6.9696 6.9696 7.1977 7.1977 7.4658 7.4658 7.5165 7.5165 9.3481 9.3481 9.9389 9.9389 11.1750 11.1750 11.3919 11.3919 k = 0.0417 0.0722 0.3002 ( 3684 PWs) bands (ev): -27.0514 -27.0514 -9.8765 -9.8765 -8.7827 -8.7827 -8.6919 -8.6919 -2.7593 -2.7593 -2.7422 -2.7422 -0.9165 -0.9165 -0.9131 -0.9131 -0.8355 -0.8355 -0.7282 -0.7282 -0.2837 -0.2837 -0.2185 -0.2185 -0.1657 -0.1657 0.0251 0.0251 0.0717 0.0717 0.1002 0.1002 4.2590 4.2590 6.3023 6.3023 7.0764 7.0764 7.2450 7.2450 7.4801 7.4801 7.5528 7.5528 9.2331 9.2331 9.8944 9.8944 11.1833 11.1833 11.3353 11.3353 k = 0.0347 0.0601 0.3002 ( 3678 PWs) bands (ev): -27.0515 -27.0515 -9.8760 -9.8760 -8.7827 -8.7827 -8.6903 -8.6903 -2.7644 -2.7644 -2.7459 -2.7459 -0.9196 -0.9196 -0.9145 -0.9145 -0.8345 -0.8345 -0.7315 -0.7315 -0.2849 -0.2849 -0.2204 -0.2204 -0.1680 -0.1680 0.0238 0.0238 0.0739 0.0739 0.0989 0.0989 4.2610 4.2610 6.3080 6.3080 7.1831 7.1831 7.2878 7.2878 7.4944 7.4944 7.5845 7.5845 9.1191 9.1191 9.8558 9.8558 11.1842 11.1842 11.2883 11.2883 k = 0.0278 0.0481 0.3002 ( 3662 PWs) bands (ev): -27.0516 -27.0516 -9.8756 -9.8756 -8.7826 -8.7826 -8.6890 -8.6890 -2.7687 -2.7687 -2.7490 -2.7490 -0.9221 -0.9221 -0.9156 -0.9156 -0.8335 -0.8335 -0.7343 -0.7343 -0.2858 -0.2858 -0.2220 -0.2220 -0.1698 -0.1698 0.0227 0.0227 0.0756 0.0756 0.0979 0.0979 4.2626 4.2626 6.3101 6.3101 7.2800 7.2800 7.3268 7.3268 7.5096 7.5096 7.6130 7.6130 9.0096 9.0096 9.8237 9.8237 11.1789 11.1789 11.2519 11.2519 k = 0.0208 0.0361 0.3002 ( 3666 PWs) bands (ev): -27.0516 -27.0516 -9.8753 -9.8753 -8.7826 -8.7826 -8.6880 -8.6880 -2.7721 -2.7721 -2.7513 -2.7513 -0.9241 -0.9241 -0.9164 -0.9164 -0.8327 -0.8327 -0.7366 -0.7366 -0.2865 -0.2865 -0.2233 -0.2233 -0.1713 -0.1713 0.0219 0.0219 0.0769 0.0769 0.0972 0.0972 4.2637 4.2637 6.3105 6.3105 7.3396 7.3396 7.3805 7.3805 7.5238 7.5238 7.6416 7.6416 8.9097 8.9097 9.7985 9.7985 11.1692 11.1692 11.2267 11.2267 k = 0.0139 0.0241 0.3002 ( 3666 PWs) bands (ev): -27.0517 -27.0517 -9.8750 -9.8750 -8.7825 -8.7825 -8.6872 -8.6872 -2.7746 -2.7746 -2.7530 -2.7530 -0.9256 -0.9256 -0.9170 -0.9170 -0.8320 -0.8320 -0.7383 -0.7383 -0.2870 -0.2870 -0.2243 -0.2243 -0.1724 -0.1724 0.0213 0.0213 0.0778 0.0778 0.0968 0.0968 4.2645 4.2645 6.3102 6.3102 7.3624 7.3624 7.4420 7.4420 7.5321 7.5321 7.6729 7.6729 8.8268 8.8268 9.7803 9.7803 11.1581 11.1581 11.2115 11.2115 k = 0.0069 0.0120 0.3002 ( 3668 PWs) bands (ev): -27.0517 -27.0517 -9.8749 -9.8749 -8.7825 -8.7825 -8.6868 -8.6868 -2.7761 -2.7761 -2.7540 -2.7540 -0.9265 -0.9265 -0.9174 -0.9174 -0.8316 -0.8316 -0.7393 -0.7393 -0.2873 -0.2873 -0.2249 -0.2249 -0.1730 -0.1730 0.0210 0.0210 0.0783 0.0783 0.0965 0.0965 4.2649 4.2649 6.3098 6.3098 7.3738 7.3738 7.4863 7.4863 7.5297 7.5297 7.7008 7.7008 8.7705 8.7705 9.7693 9.7693 11.1497 11.1497 11.2035 11.2035 k = 0.0000 0.0000 0.3002 ( 3676 PWs) bands (ev): -27.0517 -27.0517 -9.8748 -9.8748 -8.7825 -8.7825 -8.6866 -8.6866 -2.7766 -2.7766 -2.7544 -2.7544 -0.9268 -0.9268 -0.9175 -0.9175 -0.8315 -0.8315 -0.7396 -0.7396 -0.2874 -0.2874 -0.2251 -0.2251 -0.1732 -0.1732 0.0208 0.0208 0.0785 0.0785 0.0965 0.0965 4.2651 4.2651 6.3097 6.3097 7.3774 7.3774 7.5133 7.5133 7.5161 7.5161 7.7123 7.7123 8.7503 8.7503 9.7656 9.7656 11.1466 11.1466 11.2011 11.2011 k = 0.5000 0.2887 0.3002 ( 3664 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5789 -2.5789 -2.4286 -2.4286 -0.8363 -0.8363 -0.8324 -0.8324 -0.6887 -0.6887 -0.4853 -0.4853 -0.1799 -0.1799 -0.1728 -0.1728 -0.0980 -0.0980 0.0259 0.0259 0.3131 0.3131 0.3256 0.3256 3.5335 3.5335 3.5866 3.5866 5.8709 5.8709 6.0086 6.0086 7.1834 7.1834 7.3705 7.3705 9.6138 9.6138 10.0423 10.0423 10.0811 10.0811 10.8301 10.8301 k = 0.5000 0.2887 0.2865 ( 3664 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5787 -2.5787 -2.4288 -2.4288 -0.8364 -0.8364 -0.8323 -0.8323 -0.6886 -0.6886 -0.4854 -0.4854 -0.1801 -0.1801 -0.1727 -0.1727 -0.0979 -0.0979 0.0258 0.0258 0.3129 0.3129 0.3259 0.3259 3.5247 3.5247 3.5969 3.5969 5.8696 5.8696 6.0094 6.0094 7.1799 7.1799 7.3661 7.3661 9.6116 9.6116 10.0533 10.0533 10.0792 10.0792 10.8376 10.8376 k = 0.5000 0.2887 0.2729 ( 3658 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5783 -2.5783 -2.4293 -2.4293 -0.8366 -0.8366 -0.8321 -0.8321 -0.6883 -0.6883 -0.4855 -0.4855 -0.1804 -0.1804 -0.1724 -0.1724 -0.0977 -0.0977 0.0258 0.0258 0.3122 0.3122 0.3265 0.3265 3.5076 3.5076 3.6187 3.6187 5.8659 5.8659 6.0119 6.0119 7.1690 7.1690 7.3536 7.3536 9.6056 9.6056 10.0635 10.0635 10.0957 10.0957 10.8592 10.8592 k = 0.5000 0.2887 0.2592 ( 3666 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5776 -2.5776 -2.4302 -2.4302 -0.8369 -0.8369 -0.8319 -0.8319 -0.6879 -0.6879 -0.4857 -0.4857 -0.1809 -0.1809 -0.1719 -0.1719 -0.0973 -0.0973 0.0257 0.0257 0.3112 0.3112 0.3274 0.3274 3.4893 3.4893 3.6448 3.6448 5.8597 5.8597 6.0160 6.0160 7.1501 7.1501 7.3344 7.3344 9.5974 9.5974 10.0528 10.0528 10.1503 10.1503 10.8930 10.8930 k = 0.5000 0.2887 0.2456 ( 3666 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5766 -2.5766 -2.4315 -2.4315 -0.8372 -0.8372 -0.8317 -0.8317 -0.6873 -0.6873 -0.4860 -0.4860 -0.1815 -0.1815 -0.1713 -0.1713 -0.0968 -0.0968 0.0256 0.0256 0.3100 0.3100 0.3285 0.3285 3.4715 3.4715 3.6734 3.6734 5.8513 5.8513 6.0217 6.0217 7.1221 7.1221 7.3110 7.3110 9.5879 9.5879 10.0403 10.0403 10.2237 10.2237 10.9362 10.9362 k = 0.5000 0.2887 0.2319 ( 3684 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8232 -8.8232 -8.7441 -8.7441 -2.5754 -2.5754 -2.4330 -2.4330 -0.8377 -0.8377 -0.8314 -0.8314 -0.6866 -0.6866 -0.4864 -0.4864 -0.1822 -0.1822 -0.1706 -0.1706 -0.0963 -0.0963 0.0254 0.0254 0.3087 0.3087 0.3297 0.3297 3.4547 3.4547 3.7038 3.7038 5.8407 5.8407 6.0291 6.0291 7.0843 7.0843 7.2857 7.2857 9.5772 9.5772 10.0307 10.0307 10.3116 10.3116 10.9861 10.9861 k = 0.5000 0.2887 0.2183 ( 3670 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8233 -8.8233 -8.7441 -8.7441 -2.5739 -2.5739 -2.4349 -2.4349 -0.8381 -0.8381 -0.8310 -0.8310 -0.6857 -0.6857 -0.4869 -0.4869 -0.1828 -0.1828 -0.1699 -0.1699 -0.0955 -0.0955 0.0253 0.0253 0.3073 0.3073 0.3310 0.3310 3.4393 3.4393 3.7357 3.7357 5.8284 5.8284 6.0379 6.0379 7.0370 7.0370 7.2600 7.2600 9.5646 9.5646 10.0273 10.0273 10.4114 10.4114 11.0403 11.0403 k = 0.5000 0.2887 0.2047 ( 3670 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8233 -8.8233 -8.7441 -8.7441 -2.5721 -2.5721 -2.4371 -2.4371 -0.8385 -0.8385 -0.8307 -0.8307 -0.6848 -0.6848 -0.4874 -0.4874 -0.1835 -0.1835 -0.1692 -0.1692 -0.0947 -0.0947 0.0251 0.0251 0.3058 0.3058 0.3323 0.3323 3.4251 3.4251 3.7688 3.7688 5.8144 5.8144 6.0483 6.0483 6.9813 6.9813 7.2347 7.2347 9.5494 9.5494 10.0322 10.0322 10.5209 10.5209 11.0966 11.0966 k = 0.5000 0.2887 0.1910 ( 3672 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8233 -8.8233 -8.7441 -8.7441 -2.5702 -2.5702 -2.4396 -2.4396 -0.8390 -0.8390 -0.8304 -0.8304 -0.6837 -0.6837 -0.4879 -0.4879 -0.1842 -0.1842 -0.1686 -0.1686 -0.0938 -0.0938 0.0249 0.0249 0.3044 0.3044 0.3335 0.3335 3.4122 3.4122 3.8030 3.8030 5.7992 5.7992 6.0600 6.0600 6.9192 6.9192 7.2096 7.2096 9.5312 9.5312 10.0466 10.0466 10.6376 10.6376 11.1536 11.1536 k = 0.5000 0.2887 0.1774 ( 3668 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8233 -8.8233 -8.7441 -8.7441 -2.5680 -2.5680 -2.4423 -2.4423 -0.8395 -0.8395 -0.8300 -0.8300 -0.6825 -0.6825 -0.4885 -0.4885 -0.1848 -0.1848 -0.1679 -0.1679 -0.0928 -0.0928 0.0246 0.0246 0.3030 0.3030 0.3347 0.3347 3.4006 3.4006 3.8379 3.8379 5.7832 5.7832 6.0730 6.0730 6.8525 6.8525 7.1847 7.1847 9.5104 9.5104 10.0707 10.0707 10.7589 10.7589 11.2107 11.2107 k = 0.5000 0.2887 0.1637 ( 3648 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8234 -8.8234 -8.7441 -8.7441 -2.5656 -2.5656 -2.4453 -2.4453 -0.8400 -0.8400 -0.8296 -0.8296 -0.6813 -0.6813 -0.4891 -0.4891 -0.1854 -0.1854 -0.1672 -0.1672 -0.0917 -0.0917 0.0244 0.0244 0.3016 0.3016 0.3359 0.3359 3.3902 3.3902 3.8734 3.8734 5.7666 5.7666 6.0870 6.0870 6.7832 6.7832 7.1597 7.1597 9.4876 9.4876 10.1037 10.1037 10.8809 10.8809 11.2689 11.2689 k = 0.5000 0.2887 0.1501 ( 3650 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8234 -8.8234 -8.7441 -8.7441 -2.5630 -2.5630 -2.4484 -2.4484 -0.8404 -0.8404 -0.8293 -0.8293 -0.6801 -0.6801 -0.4898 -0.4898 -0.1860 -0.1860 -0.1667 -0.1667 -0.0907 -0.0907 0.0241 0.0241 0.3003 0.3003 0.3371 0.3371 3.3809 3.3809 3.9090 3.9090 5.7499 5.7499 6.1018 6.1018 6.7129 6.7129 7.1346 7.1346 9.4638 9.4638 10.1447 10.1447 10.9965 10.9965 11.3326 11.3326 k = 0.5000 0.2887 0.1364 ( 3646 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8234 -8.8234 -8.7441 -8.7441 -2.5603 -2.5603 -2.4516 -2.4516 -0.8409 -0.8409 -0.8290 -0.8290 -0.6788 -0.6788 -0.4904 -0.4904 -0.1865 -0.1865 -0.1661 -0.1661 -0.0896 -0.0896 0.0238 0.0238 0.2990 0.2990 0.3381 0.3381 3.3727 3.3727 3.9445 3.9445 5.7334 5.7334 6.1173 6.1173 6.6430 6.6430 7.1097 7.1097 9.4398 9.4398 10.1924 10.1924 11.0942 11.0942 11.4111 11.4111 k = 0.5000 0.2887 0.1228 ( 3650 PWs) bands (ev): -27.0452 -27.0452 -9.9125 -9.9125 -8.8234 -8.8234 -8.7441 -8.7441 -2.5575 -2.5575 -2.4550 -2.4550 -0.8413 -0.8413 -0.8287 -0.8287 -0.6776 -0.6776 -0.4910 -0.4910 -0.1870 -0.1870 -0.1656 -0.1656 -0.0886 -0.0886 0.0236 0.0236 0.2978 0.2978 0.3391 0.3391 3.3655 3.3655 3.9793 3.9793 5.7175 5.7175 6.1332 6.1332 6.5749 6.5749 7.0851 7.0851 9.4165 9.4165 10.2456 10.2456 11.1624 11.1624 11.5144 11.5144 k = 0.5000 0.2887 0.1091 ( 3650 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7441 -8.7441 -2.5546 -2.5546 -2.4584 -2.4584 -0.8417 -0.8417 -0.8284 -0.8284 -0.6765 -0.6765 -0.4916 -0.4916 -0.1875 -0.1875 -0.1652 -0.1652 -0.0876 -0.0876 0.0233 0.0233 0.2967 0.2967 0.3399 0.3399 3.3593 3.3593 4.0130 4.0130 5.7024 5.7024 6.1491 6.1491 6.5098 6.5098 7.0611 7.0611 9.3944 9.3944 10.3031 10.3031 11.1999 11.1999 11.6425 11.6425 k = 0.5000 0.2887 0.0955 ( 3646 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7441 -8.7441 -2.5518 -2.5518 -2.4617 -2.4617 -0.8421 -0.8421 -0.8282 -0.8282 -0.6754 -0.6754 -0.4922 -0.4922 -0.1879 -0.1879 -0.1648 -0.1648 -0.0866 -0.0866 0.0230 0.0230 0.2957 0.2957 0.3407 0.3407 3.3540 3.3540 4.0450 4.0450 5.6885 5.6885 6.1647 6.1647 6.4488 6.4488 7.0382 7.0382 9.3740 9.3740 10.3638 10.3638 11.2137 11.2137 11.7878 11.7878 k = 0.5000 0.2887 0.0819 ( 3644 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7441 -8.7441 -2.5489 -2.5489 -2.4650 -2.4650 -0.8424 -0.8424 -0.8280 -0.8280 -0.6744 -0.6744 -0.4927 -0.4927 -0.1882 -0.1882 -0.1644 -0.1644 -0.0858 -0.0858 0.0228 0.0228 0.2948 0.2948 0.3414 0.3414 3.3496 3.3496 4.0746 4.0746 5.6760 5.6760 6.1797 6.1797 6.3930 6.3930 7.0168 7.0168 9.3558 9.3558 10.4262 10.4262 11.2105 11.2105 11.9438 11.9438 k = 0.5000 0.2887 0.0682 ( 3636 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7441 -8.7441 -2.5462 -2.5462 -2.4681 -2.4681 -0.8427 -0.8427 -0.8278 -0.8278 -0.6735 -0.6735 -0.4931 -0.4931 -0.1885 -0.1885 -0.1641 -0.1641 -0.0850 -0.0850 0.0226 0.0226 0.2940 0.2940 0.3420 0.3420 3.3459 3.3459 4.1013 4.1013 5.6651 5.6651 6.1935 6.1935 6.3435 6.3435 6.9974 6.9974 9.3401 9.3401 10.4890 10.4890 11.1946 11.1946 12.1067 12.1067 k = 0.5000 0.2887 0.0546 ( 3640 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8235 -8.8235 -8.7441 -8.7441 -2.5438 -2.5438 -2.4709 -2.4709 -0.8430 -0.8430 -0.8276 -0.8276 -0.6728 -0.6728 -0.4935 -0.4935 -0.1888 -0.1888 -0.1639 -0.1639 -0.0843 -0.0843 0.0224 0.0224 0.2934 0.2934 0.3425 0.3425 3.3430 3.3430 4.1244 4.1244 5.6560 5.6560 6.2056 6.2056 6.3014 6.3014 6.9806 6.9806 9.3269 9.3269 10.5503 10.5503 11.1699 11.1699 12.2741 12.2741 k = 0.5000 0.2887 0.0409 ( 3634 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5417 -2.5417 -2.4732 -2.4732 -0.8431 -0.8431 -0.8275 -0.8275 -0.6722 -0.6722 -0.4938 -0.4938 -0.1889 -0.1889 -0.1637 -0.1637 -0.0838 -0.0838 0.0222 0.0222 0.2929 0.2929 0.3429 0.3429 3.3407 3.3407 4.1431 4.1431 5.6489 5.6489 6.2157 6.2157 6.2675 6.2675 6.9668 6.9668 9.3166 9.3166 10.6075 10.6075 11.1401 11.1401 12.4440 12.4440 k = 0.5000 0.2887 0.0273 ( 3624 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5401 -2.5401 -2.4750 -2.4750 -0.8433 -0.8433 -0.8274 -0.8274 -0.6717 -0.6717 -0.4941 -0.4941 -0.1891 -0.1891 -0.1635 -0.1635 -0.0834 -0.0834 0.0221 0.0221 0.2926 0.2926 0.3432 0.3432 3.3392 3.3392 4.1570 4.1570 5.6437 5.6437 6.2232 6.2232 6.2427 6.2427 6.9565 6.9565 9.3091 9.3091 10.6564 10.6564 11.1101 11.1101 12.6137 12.6137 k = 0.5000 0.2887 0.0136 ( 3624 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5390 -2.5390 -2.4762 -2.4762 -0.8433 -0.8433 -0.8273 -0.8273 -0.6715 -0.6715 -0.4942 -0.4942 -0.1891 -0.1891 -0.1634 -0.1634 -0.0832 -0.0832 0.0221 0.0221 0.2923 0.2923 0.3433 0.3433 3.3382 3.3382 4.1655 4.1655 5.6406 5.6406 6.2258 6.2258 6.2296 6.2296 6.9501 6.9501 9.3046 9.3046 10.6910 10.6910 11.0867 11.0867 12.7747 12.7747 k = 0.5000 0.2887-0.0000 ( 3626 PWs) bands (ev): -27.0452 -27.0452 -9.9126 -9.9126 -8.8236 -8.8236 -8.7441 -8.7441 -2.5387 -2.5387 -2.4766 -2.4766 -0.8434 -0.8434 -0.8273 -0.8273 -0.6714 -0.6714 -0.4942 -0.4942 -0.1892 -0.1892 -0.1634 -0.1634 -0.0831 -0.0831 0.0220 0.0220 0.2923 0.2923 0.3434 0.3434 3.3379 3.3379 4.1684 4.1684 5.6396 5.6396 6.2217 6.2217 6.2301 6.2301 6.9480 6.9480 9.3031 9.3031 10.7038 10.7038 11.0775 11.0775 12.8697 12.8697 k = 0.3333 0.5774-0.0000 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5036 -2.5036 -2.4498 -2.4498 -0.8605 -0.8605 -0.7912 -0.7912 -0.7146 -0.7146 -0.4420 -0.4420 -0.1665 -0.1665 -0.1076 -0.1076 -0.0747 -0.0747 -0.0380 -0.0380 0.3280 0.3280 0.4880 0.4880 3.7850 3.7850 3.8524 3.8524 4.5829 4.5829 6.1309 6.1309 6.1439 6.1439 6.5075 6.5075 11.0531 11.0531 11.0621 11.0621 11.1099 11.1099 12.1307 12.1307 k = 0.3333 0.5774 0.0136 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5036 -2.5036 -2.4498 -2.4498 -0.8605 -0.8605 -0.7912 -0.7912 -0.7146 -0.7146 -0.4421 -0.4421 -0.1665 -0.1665 -0.1077 -0.1077 -0.0747 -0.0747 -0.0380 -0.0380 0.3279 0.3279 0.4879 0.4879 3.7844 3.7844 3.8516 3.8516 4.5845 4.5845 6.1331 6.1331 6.1460 6.1460 6.5045 6.5045 11.0490 11.0490 11.0662 11.0662 11.1053 11.1053 12.1332 12.1333 k = 0.3333 0.5774 0.0273 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5035 -2.5035 -2.4497 -2.4497 -0.8604 -0.8604 -0.7912 -0.7912 -0.7147 -0.7147 -0.4422 -0.4422 -0.1664 -0.1664 -0.1078 -0.1078 -0.0748 -0.0748 -0.0380 -0.0380 0.3277 0.3277 0.4878 0.4878 3.7826 3.7826 3.8495 3.8495 4.5892 4.5892 6.1397 6.1397 6.1523 6.1523 6.4956 6.4956 11.0369 11.0369 11.0780 11.0780 11.0922 11.0922 12.1409 12.1409 k = 0.3333 0.5774 0.0409 ( 3648 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5034 -2.5034 -2.4496 -2.4496 -0.8603 -0.8603 -0.7912 -0.7912 -0.7147 -0.7147 -0.4425 -0.4425 -0.1664 -0.1664 -0.1079 -0.1079 -0.0749 -0.0749 -0.0381 -0.0381 0.3273 0.3273 0.4876 0.4876 3.7797 3.7797 3.8460 3.8460 4.5970 4.5970 6.1505 6.1505 6.1627 6.1627 6.4811 6.4811 11.0172 11.0172 11.0688 11.0688 11.0996 11.0996 12.1531 12.1531 k = 0.3333 0.5774 0.0546 ( 3651 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5033 -2.5033 -2.4495 -2.4495 -0.8601 -0.8601 -0.7911 -0.7911 -0.7148 -0.7148 -0.4428 -0.4428 -0.1664 -0.1664 -0.1081 -0.1081 -0.0751 -0.0751 -0.0383 -0.0383 0.3267 0.3267 0.4874 0.4874 3.7756 3.7756 3.8412 3.8412 4.6078 4.6078 6.1652 6.1652 6.1770 6.1770 6.4612 6.4612 10.9906 10.9906 11.0392 11.0392 11.1276 11.1276 12.1691 12.1691 k = 0.3333 0.5774 0.0682 ( 3657 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5031 -2.5031 -2.4494 -2.4494 -0.8600 -0.8600 -0.7911 -0.7911 -0.7150 -0.7150 -0.4433 -0.4433 -0.1663 -0.1663 -0.1084 -0.1084 -0.0754 -0.0754 -0.0384 -0.0384 0.3259 0.3259 0.4870 0.4870 3.7707 3.7707 3.8353 3.8353 4.6216 4.6216 6.1833 6.1833 6.1949 6.1949 6.4366 6.4366 10.9580 10.9580 11.0026 11.0026 11.1631 11.1631 12.1882 12.1882 k = 0.3333 0.5774 0.0819 ( 3651 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5029 -2.5029 -2.4492 -2.4492 -0.8597 -0.8597 -0.7910 -0.7910 -0.7151 -0.7151 -0.4438 -0.4438 -0.1662 -0.1662 -0.1087 -0.1087 -0.0757 -0.0757 -0.0386 -0.0386 0.3251 0.3251 0.4866 0.4866 3.7648 3.7648 3.8284 3.8284 4.6383 4.6383 6.2038 6.2038 6.2161 6.2161 6.4082 6.4082 10.9202 10.9202 10.9604 10.9604 11.2057 11.2057 12.2093 12.2093 k = 0.3333 0.5774 0.0955 ( 3651 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8018 -8.8018 -8.7808 -8.7808 -2.5027 -2.5027 -2.4490 -2.4490 -0.8595 -0.8595 -0.7909 -0.7909 -0.7153 -0.7153 -0.4444 -0.4444 -0.1661 -0.1661 -0.1091 -0.1091 -0.0760 -0.0760 -0.0388 -0.0388 0.3241 0.3241 0.4862 0.4862 3.7583 3.7583 3.8207 3.8207 4.6579 4.6579 6.2247 6.2247 6.2403 6.2403 6.3781 6.3781 10.8782 10.8782 10.9137 10.9137 11.2547 11.2547 12.2317 12.2317 k = 0.3333 0.5774 0.1091 ( 3657 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8017 -8.8017 -8.7808 -8.7808 -2.5024 -2.5024 -2.4488 -2.4488 -0.8592 -0.8592 -0.7908 -0.7908 -0.7155 -0.7155 -0.4450 -0.4450 -0.1660 -0.1660 -0.1095 -0.1095 -0.0764 -0.0764 -0.0390 -0.0390 0.3230 0.3230 0.4857 0.4857 3.7513 3.7513 3.8124 3.8124 4.6801 4.6801 6.2409 6.2409 6.2670 6.2670 6.3516 6.3516 10.8328 10.8328 10.8633 10.8633 11.3095 11.3095 12.2543 12.2543 k = 0.3333 0.5774 0.1228 ( 3669 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8017 -8.8017 -8.7808 -8.7808 -2.5022 -2.5022 -2.4486 -2.4486 -0.8589 -0.8589 -0.7907 -0.7907 -0.7157 -0.7157 -0.4457 -0.4457 -0.1659 -0.1659 -0.1100 -0.1100 -0.0769 -0.0769 -0.0393 -0.0393 0.3219 0.3219 0.4852 0.4852 3.7439 3.7439 3.8036 3.8036 4.7048 4.7048 6.2388 6.2388 6.2958 6.2958 6.3422 6.3422 10.7851 10.7851 10.8105 10.8105 11.3696 11.3696 12.2764 12.2764 k = 0.3333 0.5774 0.1364 ( 3681 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8017 -8.8017 -8.7808 -8.7808 -2.5019 -2.5019 -2.4483 -2.4483 -0.8586 -0.8586 -0.7906 -0.7906 -0.7160 -0.7160 -0.4465 -0.4465 -0.1658 -0.1658 -0.1105 -0.1105 -0.0773 -0.0773 -0.0395 -0.0395 0.3207 0.3207 0.4846 0.4846 3.7363 3.7363 3.7946 3.7946 4.7319 4.7319 6.2115 6.2115 6.3260 6.3260 6.3569 6.3569 10.7358 10.7358 10.7561 10.7561 11.4342 11.4342 12.2973 12.2973 k = 0.3333 0.5774 0.1501 ( 3684 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8017 -8.8017 -8.7808 -8.7808 -2.5016 -2.5016 -2.4481 -2.4481 -0.8583 -0.8583 -0.7905 -0.7905 -0.7162 -0.7162 -0.4472 -0.4472 -0.1657 -0.1657 -0.1110 -0.1110 -0.0777 -0.0777 -0.0398 -0.0398 0.3195 0.3195 0.4841 0.4841 3.7286 3.7286 3.7856 3.7856 4.7610 4.7610 6.1711 6.1711 6.3572 6.3572 6.3835 6.3835 10.6860 10.6860 10.7012 10.7012 11.5026 11.5026 12.3165 12.3165 k = 0.3333 0.5774 0.1637 ( 3672 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8016 -8.8016 -8.7808 -8.7808 -2.5013 -2.5013 -2.4478 -2.4478 -0.8580 -0.8580 -0.7904 -0.7904 -0.7164 -0.7164 -0.4480 -0.4480 -0.1655 -0.1655 -0.1114 -0.1114 -0.0782 -0.0782 -0.0400 -0.0400 0.3183 0.3183 0.4836 0.4836 3.7211 3.7211 3.7768 3.7768 4.7919 4.7919 6.1254 6.1254 6.3887 6.3887 6.4144 6.4144 10.6364 10.6364 10.6467 10.6467 11.5742 11.5742 12.3333 12.3333 k = 0.3333 0.5774 0.1774 ( 3672 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8016 -8.8016 -8.7808 -8.7808 -2.5010 -2.5010 -2.4476 -2.4476 -0.8576 -0.8576 -0.7902 -0.7902 -0.7166 -0.7166 -0.4487 -0.4487 -0.1654 -0.1654 -0.1119 -0.1119 -0.0786 -0.0786 -0.0403 -0.0403 0.3171 0.3171 0.4830 0.4830 3.7138 3.7138 3.7682 3.7682 4.8242 4.8242 6.0774 6.0774 6.4200 6.4200 6.4466 6.4466 10.5880 10.5880 10.5935 10.5935 11.6482 11.6482 12.3477 12.3477 k = 0.3333 0.5774 0.1910 ( 3663 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8016 -8.8016 -8.7808 -8.7808 -2.5007 -2.5007 -2.4474 -2.4474 -0.8573 -0.8573 -0.7901 -0.7901 -0.7168 -0.7168 -0.4494 -0.4494 -0.1652 -0.1652 -0.1124 -0.1124 -0.0790 -0.0790 -0.0405 -0.0405 0.3160 0.3160 0.4825 0.4825 3.7069 3.7069 3.7602 3.7602 4.8574 4.8574 6.0287 6.0287 6.4503 6.4503 6.4785 6.4785 10.5416 10.5416 10.5427 10.5427 11.7239 11.7239 12.3594 12.3594 k = 0.3333 0.5774 0.2047 ( 3663 PWs) bands (ev): -27.0444 -27.0444 -9.9157 -9.9157 -8.8016 -8.8016 -8.7807 -8.7807 -2.5005 -2.5005 -2.4471 -2.4471 -0.8570 -0.8570 -0.7900 -0.7900 -0.7170 -0.7170 -0.4500 -0.4500 -0.1651 -0.1651 -0.1128 -0.1128 -0.0794 -0.0794 -0.0407 -0.0407 0.3149 0.3149 0.4821 0.4821 3.7006 3.7006 3.7527 3.7527 4.8910 4.8910 5.9806 5.9806 6.4790 6.4790 6.5090 6.5090 10.4950 10.4950 10.4982 10.4982 11.8004 11.8004 12.3686 12.3686 k = 0.3333 0.5774 0.2183 ( 3663 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.5002 -2.5002 -2.4469 -2.4469 -0.8568 -0.8568 -0.7899 -0.7899 -0.7172 -0.7172 -0.4507 -0.4507 -0.1649 -0.1649 -0.1133 -0.1133 -0.0797 -0.0797 -0.0409 -0.0409 0.3140 0.3140 0.4816 0.4816 3.6948 3.6948 3.7460 3.7460 4.9243 4.9243 5.9341 5.9341 6.5055 6.5055 6.5375 6.5375 10.4515 10.4515 10.4585 10.4585 11.8767 11.8767 12.3754 12.3754 k = 0.3333 0.5774 0.2319 ( 3657 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.5000 -2.5000 -2.4468 -2.4468 -0.8565 -0.8565 -0.7898 -0.7898 -0.7173 -0.7173 -0.4512 -0.4512 -0.1648 -0.1648 -0.1136 -0.1136 -0.0800 -0.0800 -0.0411 -0.0411 0.3131 0.3131 0.4813 0.4813 3.6898 3.6898 3.7402 3.7402 4.9562 4.9562 5.8905 5.8905 6.5292 6.5292 6.5630 6.5630 10.4130 10.4131 10.4233 10.4233 11.9517 11.9517 12.3803 12.3803 k = 0.3333 0.5774 0.2456 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4999 -2.4999 -2.4466 -2.4466 -0.8564 -0.8564 -0.7898 -0.7898 -0.7175 -0.7175 -0.4517 -0.4517 -0.1647 -0.1647 -0.1140 -0.1140 -0.0803 -0.0803 -0.0412 -0.0412 0.3124 0.3124 0.4809 0.4809 3.6856 3.6856 3.7352 3.7352 4.9856 4.9856 5.8513 5.8513 6.5495 6.5495 6.5849 6.5849 10.3803 10.3803 10.3934 10.3934 12.0240 12.0240 12.3835 12.3835 k = 0.3333 0.5774 0.2592 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4997 -2.4997 -2.4465 -2.4465 -0.8562 -0.8562 -0.7897 -0.7897 -0.7176 -0.7176 -0.4520 -0.4520 -0.1646 -0.1646 -0.1142 -0.1142 -0.0805 -0.0805 -0.0413 -0.0413 0.3118 0.3118 0.4807 0.4807 3.6822 3.6822 3.7313 3.7313 5.0110 5.0110 5.8180 5.8180 6.5658 6.5658 6.6026 6.6026 10.3541 10.3541 10.3694 10.3694 12.0914 12.0914 12.3855 12.3855 k = 0.3333 0.5774 0.2729 ( 3660 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4996 -2.4996 -2.4464 -2.4464 -0.8561 -0.8561 -0.7897 -0.7897 -0.7177 -0.7177 -0.4523 -0.4523 -0.1645 -0.1645 -0.1144 -0.1144 -0.0806 -0.0806 -0.0414 -0.0414 0.3114 0.3114 0.4805 0.4805 3.6798 3.6798 3.7285 3.7285 5.0309 5.0309 5.7924 5.7924 6.5778 6.5778 6.6156 6.6156 10.3349 10.3349 10.3519 10.3519 12.1501 12.1501 12.3866 12.3866 k = 0.3333 0.5774 0.2865 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4996 -2.4996 -2.4464 -2.4464 -0.8560 -0.8560 -0.7896 -0.7896 -0.7177 -0.7177 -0.4525 -0.4525 -0.1645 -0.1645 -0.1145 -0.1145 -0.0807 -0.0807 -0.0415 -0.0415 0.3112 0.3112 0.4804 0.4804 3.6783 3.6783 3.7268 3.7268 5.0436 5.0436 5.7763 5.7763 6.5852 6.5852 6.6235 6.6235 10.3233 10.3233 10.3412 10.3412 12.1930 12.1930 12.3872 12.3872 k = 0.3333 0.5774 0.3002 ( 3666 PWs) bands (ev): -27.0444 -27.0444 -9.9156 -9.9156 -8.8015 -8.8015 -8.7807 -8.7807 -2.4995 -2.4995 -2.4463 -2.4463 -0.8560 -0.8560 -0.7896 -0.7896 -0.7177 -0.7177 -0.4525 -0.4525 -0.1645 -0.1645 -0.1146 -0.1146 -0.0808 -0.0808 -0.0415 -0.0415 0.3111 0.3111 0.4803 0.4803 3.6778 3.6778 3.7262 3.7262 5.0480 5.0480 5.7707 5.7707 6.5876 6.5876 6.6262 6.6262 10.3193 10.3193 10.3376 10.3376 12.2094 12.2094 12.3874 12.3874 Writing output data file SrxCdAsx2.save init_run : 0.62s CPU 0.82s WALL ( 1 calls) electrons : 180.65s CPU 183.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 180.64s CPU 183.60s 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 : 0.15s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 301 calls) cegterg : 169.18s CPU 171.66s WALL ( 657 calls) Called by sum_band: Called by *egterg: h_psi : 85.56s CPU 86.88s WALL ( 11059 calls) s_psi : 5.25s CPU 5.30s WALL ( 11059 calls) g_psi : 0.24s CPU 0.25s WALL ( 10101 calls) cdiaghg : 68.81s CPU 69.68s WALL ( 10402 calls) cegterg:over : 5.97s CPU 6.34s WALL ( 10101 calls) cegterg:upda : 5.90s CPU 5.91s WALL ( 10101 calls) cegterg:last : 2.98s CPU 2.99s WALL ( 1549 calls) cdiaghg:chol : 4.04s CPU 3.94s WALL ( 10402 calls) cdiaghg:inve : 2.58s CPU 2.53s WALL ( 10402 calls) cdiaghg:para : 4.25s CPU 4.24s WALL ( 20804 calls) Called by h_psi: h_psi:vloc : 73.36s CPU 74.64s WALL ( 11059 calls) h_psi:vnl : 11.97s CPU 12.01s WALL ( 11059 calls) add_vuspsi : 6.29s CPU 6.10s WALL ( 11059 calls) General routines calbec : 5.66s CPU 5.88s WALL ( 11059 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 61.50s CPU 62.52s WALL ( 926036 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.16s WALL ( 602 calls) Parallel routines fft_scatter : 24.38s CPU 24.88s WALL ( 926059 calls) PWSCF : 3m15.36s CPU 3m39.89s WALL This run was terminated on: 19:40:54 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=