Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:45:24 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 28 8 2832 1762 272 Max 39 29 9 2849 1781 278 Sum 1393 1027 295 102229 63819 9813 bravais-lattice index = 14 lattice parameter (alat) = 8.5983 a.u. unit-cell volume = 1333.3112 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.598253 celldm(2)= 1.000000 celldm(3)= 2.421978 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 2.421978 ) 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 0.412886 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 276 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0036232 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0036232 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0036232 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0036232 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0036232 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0036232 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0036232 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0036232 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0036232 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0036232 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0036232 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0036232 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0036232 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0036232 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0036232 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036232 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0036232 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0036232 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0036232 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0036232 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0036232 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0036232 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0036232 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0036232 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0036232 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0036232 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0036232 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0036232 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0036232 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0036232 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0036232 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0036232 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0036232 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0036232 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0036232 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 43) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0036232 k( 44) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0036232 k( 45) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0036232 k( 46) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0036232 k( 47) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0036232 k( 48) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0036232 k( 49) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0036232 k( 50) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0036232 k( 51) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0036232 k( 52) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0036232 k( 54) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036232 k( 55) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0036232 k( 56) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0036232 k( 57) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0036232 k( 58) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0036232 k( 59) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0036232 k( 60) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0036232 k( 61) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0036232 k( 62) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0036232 k( 63) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0036232 k( 64) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0036232 k( 65) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0036232 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0036232 k( 69) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0036232 k( 72) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0036232 k( 73) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0036232 k( 74) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0036232 k( 75) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0036232 k( 76) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0036232 k( 77) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0036232 k( 78) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0036232 k( 79) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0036232 k( 80) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0036232 k( 81) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0036232 k( 83) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0036232 k( 84) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0036232 k( 85) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0036232 k( 86) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0036232 k( 87) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0036232 k( 88) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0036232 k( 89) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0036232 k( 90) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0036232 k( 91) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0036232 k( 92) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0036232 k( 93) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0036232 k( 94) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0036232 k( 95) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0036232 k( 96) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0036232 k( 97) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0036232 k( 98) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0036232 k( 99) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0036232 k( 100) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0036232 k( 101) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0036232 k( 102) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0036232 k( 103) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0036232 k( 104) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0036232 k( 105) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0036232 k( 106) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0036232 k( 107) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0036232 k( 108) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0036232 k( 109) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0036232 k( 110) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0036232 k( 111) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0036232 k( 112) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0036232 k( 113) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.0137629), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.0275257), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.0412886), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.0550514), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.0688143), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.0825771), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.0963400), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.1101028), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.1238657), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.1376286), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.1513914), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.1651543), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.1789171), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.1926800), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.2064428), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.2064428), wk = 0.0036232 k( 132) = ( 0.0125000 0.0072169 0.2064428), wk = 0.0036232 k( 133) = ( 0.0250000 0.0144338 0.2064428), wk = 0.0036232 k( 134) = ( 0.0375000 0.0216506 0.2064428), wk = 0.0036232 k( 135) = ( 0.0500000 0.0288675 0.2064428), wk = 0.0036232 k( 136) = ( 0.0625000 0.0360844 0.2064428), wk = 0.0036232 k( 137) = ( 0.0750000 0.0433013 0.2064428), wk = 0.0036232 k( 138) = ( 0.0875000 0.0505181 0.2064428), wk = 0.0036232 k( 139) = ( 0.1000000 0.0577350 0.2064428), wk = 0.0036232 k( 140) = ( 0.1125000 0.0649519 0.2064428), wk = 0.0036232 k( 141) = ( 0.1250000 0.0721688 0.2064428), wk = 0.0036232 k( 142) = ( 0.1375000 0.0793857 0.2064428), wk = 0.0036232 k( 143) = ( 0.1500000 0.0866025 0.2064428), wk = 0.0036232 k( 144) = ( 0.1625000 0.0938194 0.2064428), wk = 0.0036232 k( 145) = ( 0.1750000 0.1010363 0.2064428), wk = 0.0036232 k( 146) = ( 0.1875000 0.1082532 0.2064428), wk = 0.0036232 k( 147) = ( 0.2000000 0.1154701 0.2064428), wk = 0.0036232 k( 148) = ( 0.2125000 0.1226869 0.2064428), wk = 0.0036232 k( 149) = ( 0.2250000 0.1299038 0.2064428), wk = 0.0036232 k( 150) = ( 0.2375000 0.1371207 0.2064428), wk = 0.0036232 k( 151) = ( 0.2500000 0.1443376 0.2064428), wk = 0.0036232 k( 152) = ( 0.2625000 0.1515544 0.2064428), wk = 0.0036232 k( 153) = ( 0.2750000 0.1587713 0.2064428), wk = 0.0036232 k( 154) = ( 0.2875000 0.1659882 0.2064428), wk = 0.0036232 k( 155) = ( 0.3000000 0.1732051 0.2064428), wk = 0.0036232 k( 156) = ( 0.3125000 0.1804220 0.2064428), wk = 0.0036232 k( 157) = ( 0.3250000 0.1876388 0.2064428), wk = 0.0036232 k( 158) = ( 0.3375000 0.1948557 0.2064428), wk = 0.0036232 k( 159) = ( 0.3500000 0.2020726 0.2064428), wk = 0.0036232 k( 160) = ( 0.3625000 0.2092895 0.2064428), wk = 0.0036232 k( 161) = ( 0.3750000 0.2165064 0.2064428), wk = 0.0036232 k( 162) = ( 0.3875000 0.2237232 0.2064428), wk = 0.0036232 k( 163) = ( 0.4000000 0.2309401 0.2064428), wk = 0.0036232 k( 164) = ( 0.4125000 0.2381570 0.2064428), wk = 0.0036232 k( 165) = ( 0.4250000 0.2453739 0.2064428), wk = 0.0036232 k( 166) = ( 0.4375000 0.2525907 0.2064428), wk = 0.0036232 k( 167) = ( 0.4500000 0.2598076 0.2064428), wk = 0.0036232 k( 168) = ( 0.4625000 0.2670245 0.2064428), wk = 0.0036232 k( 169) = ( 0.4750000 0.2742414 0.2064428), wk = 0.0036232 k( 170) = ( 0.4875000 0.2814583 0.2064428), wk = 0.0036232 k( 171) = ( 0.5000000 0.2886751 0.2064428), wk = 0.0036232 k( 172) = ( 0.5000000 0.2886751 0.2064428), wk = 0.0036232 k( 173) = ( 0.4930556 0.3007033 0.2064428), wk = 0.0036232 k( 174) = ( 0.4861111 0.3127314 0.2064428), wk = 0.0036232 k( 175) = ( 0.4791667 0.3247595 0.2064428), wk = 0.0036232 k( 176) = ( 0.4722222 0.3367877 0.2064428), wk = 0.0036232 k( 177) = ( 0.4652778 0.3488158 0.2064428), wk = 0.0036232 k( 178) = ( 0.4583333 0.3608439 0.2064428), wk = 0.0036232 k( 179) = ( 0.4513889 0.3728720 0.2064428), wk = 0.0036232 k( 180) = ( 0.4444444 0.3849002 0.2064428), wk = 0.0036232 k( 181) = ( 0.4375000 0.3969283 0.2064428), wk = 0.0036232 k( 182) = ( 0.4305556 0.4089564 0.2064428), wk = 0.0036232 k( 183) = ( 0.4236111 0.4209846 0.2064428), wk = 0.0036232 k( 184) = ( 0.4166667 0.4330127 0.2064428), wk = 0.0036232 k( 185) = ( 0.4097222 0.4450408 0.2064428), wk = 0.0036232 k( 186) = ( 0.4027778 0.4570690 0.2064428), wk = 0.0036232 k( 187) = ( 0.3958333 0.4690971 0.2064428), wk = 0.0036232 k( 188) = ( 0.3888889 0.4811252 0.2064428), wk = 0.0036232 k( 189) = ( 0.3819444 0.4931534 0.2064428), wk = 0.0036232 k( 190) = ( 0.3750000 0.5051815 0.2064428), wk = 0.0036232 k( 191) = ( 0.3680556 0.5172096 0.2064428), wk = 0.0036232 k( 192) = ( 0.3611111 0.5292377 0.2064428), wk = 0.0036232 k( 193) = ( 0.3541667 0.5412659 0.2064428), wk = 0.0036232 k( 194) = ( 0.3472222 0.5532940 0.2064428), wk = 0.0036232 k( 195) = ( 0.3402778 0.5653221 0.2064428), wk = 0.0036232 k( 196) = ( 0.3333333 0.5773503 0.2064428), wk = 0.0036232 k( 197) = ( 0.3333333 0.5773503 0.2064428), wk = 0.0036232 k( 198) = ( 0.3262411 0.5650662 0.2064428), wk = 0.0036232 k( 199) = ( 0.3191489 0.5527822 0.2064428), wk = 0.0036232 k( 200) = ( 0.3120567 0.5404981 0.2064428), wk = 0.0036232 k( 201) = ( 0.3049645 0.5282141 0.2064428), wk = 0.0036232 k( 202) = ( 0.2978723 0.5159300 0.2064428), wk = 0.0036232 k( 203) = ( 0.2907801 0.5036460 0.2064428), wk = 0.0036232 k( 204) = ( 0.2836879 0.4913619 0.2064428), wk = 0.0036232 k( 205) = ( 0.2765957 0.4790779 0.2064428), wk = 0.0036232 k( 206) = ( 0.2695035 0.4667938 0.2064428), wk = 0.0036232 k( 207) = ( 0.2624113 0.4545098 0.2064428), wk = 0.0036232 k( 208) = ( 0.2553191 0.4422257 0.2064428), wk = 0.0036232 k( 209) = ( 0.2482270 0.4299417 0.2064428), wk = 0.0036232 k( 210) = ( 0.2411348 0.4176576 0.2064428), wk = 0.0036232 k( 211) = ( 0.2340425 0.4053736 0.2064428), wk = 0.0036232 k( 212) = ( 0.2269503 0.3930895 0.2064428), wk = 0.0036232 k( 213) = ( 0.2198582 0.3808055 0.2064428), wk = 0.0036232 k( 214) = ( 0.2127660 0.3685215 0.2064428), wk = 0.0036232 k( 215) = ( 0.2056738 0.3562374 0.2064428), wk = 0.0036232 k( 216) = ( 0.1985816 0.3439534 0.2064428), wk = 0.0036232 k( 217) = ( 0.1914894 0.3316693 0.2064428), wk = 0.0036232 k( 218) = ( 0.1843972 0.3193852 0.2064428), wk = 0.0036232 k( 219) = ( 0.1773050 0.3071012 0.2064428), wk = 0.0036232 k( 220) = ( 0.1702128 0.2948172 0.2064428), wk = 0.0036232 k( 221) = ( 0.1631206 0.2825331 0.2064428), wk = 0.0036232 k( 222) = ( 0.1560284 0.2702491 0.2064428), wk = 0.0036232 k( 223) = ( 0.1489362 0.2579650 0.2064428), wk = 0.0036232 k( 224) = ( 0.1418440 0.2456810 0.2064428), wk = 0.0036232 k( 225) = ( 0.1347518 0.2333969 0.2064428), wk = 0.0036232 k( 226) = ( 0.1276596 0.2211129 0.2064428), wk = 0.0036232 k( 227) = ( 0.1205674 0.2088288 0.2064428), wk = 0.0036232 k( 228) = ( 0.1134752 0.1965448 0.2064428), wk = 0.0036232 k( 229) = ( 0.1063830 0.1842607 0.2064428), wk = 0.0036232 k( 230) = ( 0.0992908 0.1719767 0.2064428), wk = 0.0036232 k( 231) = ( 0.0921986 0.1596926 0.2064428), wk = 0.0036232 k( 232) = ( 0.0851064 0.1474086 0.2064428), wk = 0.0036232 k( 233) = ( 0.0780142 0.1351245 0.2064428), wk = 0.0036232 k( 234) = ( 0.0709220 0.1228405 0.2064428), wk = 0.0036232 k( 235) = ( 0.0638298 0.1105564 0.2064428), wk = 0.0036232 k( 236) = ( 0.0567376 0.0982724 0.2064428), wk = 0.0036232 k( 237) = ( 0.0496454 0.0859883 0.2064428), wk = 0.0036232 k( 238) = ( 0.0425532 0.0737043 0.2064428), wk = 0.0036232 k( 239) = ( 0.0354610 0.0614202 0.2064428), wk = 0.0036232 k( 240) = ( 0.0283688 0.0491362 0.2064428), wk = 0.0036232 k( 241) = ( 0.0212766 0.0368522 0.2064428), wk = 0.0036232 k( 242) = ( 0.0141844 0.0245681 0.2064428), wk = 0.0036232 k( 243) = ( 0.0070922 0.0122841 0.2064428), wk = 0.0036232 k( 244) = ( 0.0000000 0.0000000 0.2064428), wk = 0.0036232 k( 245) = ( 0.5000000 0.2886751 0.2064428), wk = 0.0036232 k( 246) = ( 0.5000000 0.2886751 0.1926800), wk = 0.0036232 k( 247) = ( 0.5000000 0.2886751 0.1789171), wk = 0.0036232 k( 248) = ( 0.5000000 0.2886751 0.1651543), wk = 0.0036232 k( 249) = ( 0.5000000 0.2886751 0.1513914), wk = 0.0036232 k( 250) = ( 0.5000000 0.2886751 0.1376286), wk = 0.0036232 k( 251) = ( 0.5000000 0.2886751 0.1238657), wk = 0.0036232 k( 252) = ( 0.5000000 0.2886751 0.1101028), wk = 0.0036232 k( 253) = ( 0.5000000 0.2886751 0.0963400), wk = 0.0036232 k( 254) = ( 0.5000000 0.2886751 0.0825771), wk = 0.0036232 k( 255) = ( 0.5000000 0.2886751 0.0688143), wk = 0.0036232 k( 256) = ( 0.5000000 0.2886751 0.0550514), wk = 0.0036232 k( 257) = ( 0.5000000 0.2886751 0.0412886), wk = 0.0036232 k( 258) = ( 0.5000000 0.2886751 0.0275257), wk = 0.0036232 k( 259) = ( 0.5000000 0.2886751 0.0137629), wk = 0.0036232 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036232 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036232 k( 262) = ( 0.3333333 0.5773503 0.0137629), wk = 0.0036232 k( 263) = ( 0.3333333 0.5773503 0.0275257), wk = 0.0036232 k( 264) = ( 0.3333333 0.5773503 0.0412886), wk = 0.0036232 k( 265) = ( 0.3333333 0.5773503 0.0550514), wk = 0.0036232 k( 266) = ( 0.3333333 0.5773503 0.0688143), wk = 0.0036232 k( 267) = ( 0.3333333 0.5773503 0.0825771), wk = 0.0036232 k( 268) = ( 0.3333333 0.5773503 0.0963400), wk = 0.0036232 k( 269) = ( 0.3333333 0.5773503 0.1101028), wk = 0.0036232 k( 270) = ( 0.3333333 0.5773503 0.1238657), wk = 0.0036232 k( 271) = ( 0.3333333 0.5773503 0.1376286), wk = 0.0036232 k( 272) = ( 0.3333333 0.5773503 0.1513914), wk = 0.0036232 k( 273) = ( 0.3333333 0.5773503 0.1651543), wk = 0.0036232 k( 274) = ( 0.3333333 0.5773503 0.1789171), wk = 0.0036232 k( 275) = ( 0.3333333 0.5773503 0.1926800), wk = 0.0036232 k( 276) = ( 0.3333333 0.5773503 0.2064428), wk = 0.0036232 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0036232 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0036232 k( 4) = ( 0.0375000 -0.0000000 0.0000000), wk = 0.0036232 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0036232 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0036232 k( 7) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0036232 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0036232 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0036232 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0036232 k( 12) = ( 0.1375000 -0.0000000 0.0000000), wk = 0.0036232 k( 13) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0036232 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0036232 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0036232 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0036232 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0036232 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0036232 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0036232 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0036232 k( 22) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0036232 k( 23) = ( 0.2750000 -0.0000000 0.0000000), wk = 0.0036232 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0036232 k( 25) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0036232 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0036232 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0036232 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0036232 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0036232 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0036232 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0036232 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0036232 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0036232 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0036232 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0036232 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0036232 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0036232 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0036232 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0036232 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 43) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0036232 k( 44) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0036232 k( 45) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0036232 k( 46) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0036232 k( 47) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0036232 k( 48) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0036232 k( 49) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0036232 k( 50) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0036232 k( 51) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0036232 k( 52) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0036232 k( 53) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0036232 k( 54) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0036232 k( 55) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0036232 k( 56) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0036232 k( 57) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0036232 k( 58) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0036232 k( 59) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0036232 k( 60) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0036232 k( 61) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0036232 k( 62) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0036232 k( 63) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0036232 k( 64) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0036232 k( 65) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0036232 k( 66) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036232 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036232 k( 68) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0036232 k( 69) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0036232 k( 70) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0036232 k( 71) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0036232 k( 72) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0036232 k( 73) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0036232 k( 74) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0036232 k( 75) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0036232 k( 76) = ( 0.2695035 0.2695035 -0.0000000), wk = 0.0036232 k( 77) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0036232 k( 78) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0036232 k( 79) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0036232 k( 80) = ( 0.2411348 0.2411348 0.0000000), wk = 0.0036232 k( 81) = ( 0.2340425 0.2340426 -0.0000000), wk = 0.0036232 k( 82) = ( 0.2269503 0.2269504 0.0000000), wk = 0.0036232 k( 83) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0036232 k( 84) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0036232 k( 85) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0036232 k( 86) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0036232 k( 87) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0036232 k( 88) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0036232 k( 89) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0036232 k( 90) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0036232 k( 91) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0036232 k( 92) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0036232 k( 93) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0036232 k( 94) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0036232 k( 95) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0036232 k( 96) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0036232 k( 97) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0036232 k( 98) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0036232 k( 99) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0036232 k( 100) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0036232 k( 101) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0036232 k( 102) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0036232 k( 103) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0036232 k( 104) = ( 0.0709220 0.0709220 -0.0000000), wk = 0.0036232 k( 105) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0036232 k( 106) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0036232 k( 107) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0036232 k( 108) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0036232 k( 109) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0036232 k( 110) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0036232 k( 111) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0036232 k( 112) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0036232 k( 113) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0036232 k( 114) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036232 k( 116) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0036232 k( 117) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0036232 k( 118) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036232 k( 119) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0036232 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036232 k( 121) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036232 k( 122) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0036232 k( 123) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0036232 k( 124) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036232 k( 125) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036232 k( 126) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0036232 k( 127) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036232 k( 128) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0036232 k( 129) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0036232 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 132) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0036232 k( 133) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0036232 k( 134) = ( 0.0375000 -0.0000000 0.5000000), wk = 0.0036232 k( 135) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0036232 k( 136) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0036232 k( 137) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0036232 k( 138) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0036232 k( 139) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0036232 k( 140) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0036232 k( 141) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0036232 k( 142) = ( 0.1375000 -0.0000000 0.5000000), wk = 0.0036232 k( 143) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0036232 k( 144) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0036232 k( 145) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0036232 k( 146) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0036232 k( 147) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0036232 k( 148) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0036232 k( 149) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0036232 k( 150) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0036232 k( 151) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0036232 k( 152) = ( 0.2625000 -0.0000000 0.5000000), wk = 0.0036232 k( 153) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0036232 k( 154) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0036232 k( 155) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0036232 k( 156) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0036232 k( 157) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0036232 k( 158) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0036232 k( 159) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0036232 k( 160) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0036232 k( 161) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0036232 k( 162) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0036232 k( 163) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0036232 k( 164) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0036232 k( 165) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0036232 k( 166) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0036232 k( 167) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0036232 k( 168) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0036232 k( 169) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0036232 k( 170) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0036232 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036232 k( 172) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036232 k( 173) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0036232 k( 174) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0036232 k( 175) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0036232 k( 176) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0036232 k( 177) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0036232 k( 178) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0036232 k( 179) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0036232 k( 180) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0036232 k( 181) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0036232 k( 182) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0036232 k( 183) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0036232 k( 184) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036232 k( 185) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0036232 k( 186) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0036232 k( 187) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0036232 k( 188) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0036232 k( 189) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0036232 k( 190) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0036232 k( 191) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0036232 k( 192) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0036232 k( 193) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0036232 k( 194) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0036232 k( 195) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0036232 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 k( 198) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0036232 k( 199) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0036232 k( 200) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0036232 k( 201) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0036232 k( 202) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0036232 k( 203) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0036232 k( 204) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0036232 k( 205) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0036232 k( 206) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0036232 k( 207) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0036232 k( 208) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0036232 k( 209) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0036232 k( 210) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0036232 k( 211) = ( 0.2340425 0.2340426 0.5000000), wk = 0.0036232 k( 212) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0036232 k( 213) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0036232 k( 214) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0036232 k( 215) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0036232 k( 216) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0036232 k( 217) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0036232 k( 218) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0036232 k( 219) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0036232 k( 220) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0036232 k( 221) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0036232 k( 222) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0036232 k( 223) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0036232 k( 224) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0036232 k( 225) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0036232 k( 226) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0036232 k( 227) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0036232 k( 228) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0036232 k( 229) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0036232 k( 230) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0036232 k( 231) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0036232 k( 232) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0036232 k( 233) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0036232 k( 234) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0036232 k( 235) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0036232 k( 236) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0036232 k( 237) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0036232 k( 238) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0036232 k( 239) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0036232 k( 240) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0036232 k( 241) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0036232 k( 242) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0036232 k( 243) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0036232 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036232 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036232 k( 246) = ( 0.5000000 -0.0000000 0.4666667), wk = 0.0036232 k( 247) = ( 0.5000000 -0.0000000 0.4333333), wk = 0.0036232 k( 248) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0036232 k( 249) = ( 0.5000000 -0.0000000 0.3666667), wk = 0.0036232 k( 250) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0036232 k( 251) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0036232 k( 252) = ( 0.5000000 -0.0000000 0.2666667), wk = 0.0036232 k( 253) = ( 0.5000000 -0.0000000 0.2333333), wk = 0.0036232 k( 254) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0036232 k( 255) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0036232 k( 256) = ( 0.5000000 -0.0000000 0.1333333), wk = 0.0036232 k( 257) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0036232 k( 258) = ( 0.5000000 -0.0000000 0.0666667), wk = 0.0036232 k( 259) = ( 0.5000000 -0.0000000 0.0333333), wk = 0.0036232 k( 260) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036232 k( 261) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036232 k( 262) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0036232 k( 263) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0036232 k( 264) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0036232 k( 265) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0036232 k( 266) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0036232 k( 267) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0036232 k( 268) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0036232 k( 269) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0036232 k( 270) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0036232 k( 271) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036232 k( 272) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0036232 k( 273) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0036232 k( 274) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0036232 k( 275) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0036232 k( 276) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036232 Dense grid: 102229 G-vectors FFT dimensions: ( 45, 45, 120) Smooth grid: 63819 G-vectors FFT dimensions: ( 40, 40, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 446, 58) NL pseudopotentials 0.56 Mb ( 223, 164) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2834) G-vector shells 0.01 Mb ( 1260) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.58 Mb ( 446, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 9.7 secs Computing kpt #: 5 total cpu time spent up to now is 11.0 secs Computing kpt #: 6 total cpu time spent up to now is 12.2 secs Computing kpt #: 7 total cpu time spent up to now is 13.5 secs Computing kpt #: 8 total cpu time spent up to now is 14.7 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.4 secs Computing kpt #: 11 total cpu time spent up to now is 18.7 secs Computing kpt #: 12 total cpu time spent up to now is 20.1 secs Computing kpt #: 13 total cpu time spent up to now is 21.4 secs Computing kpt #: 14 total cpu time spent up to now is 22.8 secs Computing kpt #: 15 total cpu time spent up to now is 24.1 secs Computing kpt #: 16 total cpu time spent up to now is 25.5 secs Computing kpt #: 17 total cpu time spent up to now is 26.9 secs Computing kpt #: 18 total cpu time spent up to now is 28.2 secs Computing kpt #: 19 total cpu time spent up to now is 29.6 secs Computing kpt #: 20 total cpu time spent up to now is 30.9 secs Computing kpt #: 21 total cpu time spent up to now is 32.3 secs Computing kpt #: 22 total cpu time spent up to now is 33.7 secs Computing kpt #: 23 total cpu time spent up to now is 35.2 secs Computing kpt #: 24 total cpu time spent up to now is 36.6 secs Computing kpt #: 25 total cpu time spent up to now is 38.1 secs Computing kpt #: 26 total cpu time spent up to now is 39.5 secs Computing kpt #: 27 total cpu time spent up to now is 41.0 secs Computing kpt #: 28 total cpu time spent up to now is 42.5 secs Computing kpt #: 29 total cpu time spent up to now is 44.9 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.3 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.8 secs Computing kpt #: 32 total cpu time spent up to now is 51.3 secs Computing kpt #: 33 total cpu time spent up to now is 53.0 secs Computing kpt #: 34 total cpu time spent up to now is 54.4 secs Computing kpt #: 35 total cpu time spent up to now is 55.9 secs Computing kpt #: 36 total cpu time spent up to now is 57.4 secs Computing kpt #: 37 total cpu time spent up to now is 59.0 secs Computing kpt #: 38 total cpu time spent up to now is 60.4 secs Computing kpt #: 39 total cpu time spent up to now is 61.8 secs Computing kpt #: 40 total cpu time spent up to now is 63.4 secs Computing kpt #: 41 total cpu time spent up to now is 65.1 secs Computing kpt #: 42 total cpu time spent up to now is 66.5 secs Computing kpt #: 43 total cpu time spent up to now is 68.0 secs Computing kpt #: 44 total cpu time spent up to now is 69.4 secs Computing kpt #: 45 total cpu time spent up to now is 70.8 secs Computing kpt #: 46 total cpu time spent up to now is 72.5 secs Computing kpt #: 47 total cpu time spent up to now is 74.1 secs Computing kpt #: 48 total cpu time spent up to now is 76.4 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.8 secs Computing kpt #: 50 total cpu time spent up to now is 81.0 secs Computing kpt #: 51 total cpu time spent up to now is 82.6 secs Computing kpt #: 52 total cpu time spent up to now is 84.3 secs Computing kpt #: 53 total cpu time spent up to now is 85.7 secs Computing kpt #: 54 total cpu time spent up to now is 87.1 secs Computing kpt #: 55 total cpu time spent up to now is 88.4 secs Computing kpt #: 56 total cpu time spent up to now is 89.9 secs Computing kpt #: 57 total cpu time spent up to now is 91.1 secs Computing kpt #: 58 total cpu time spent up to now is 92.5 secs Computing kpt #: 59 total cpu time spent up to now is 93.7 secs Computing kpt #: 60 total cpu time spent up to now is 94.9 secs Computing kpt #: 61 total cpu time spent up to now is 96.2 secs Computing kpt #: 62 total cpu time spent up to now is 97.7 secs Computing kpt #: 63 total cpu time spent up to now is 99.1 secs Computing kpt #: 64 total cpu time spent up to now is 100.3 secs Computing kpt #: 65 total cpu time spent up to now is 101.6 secs Computing kpt #: 66 total cpu time spent up to now is 102.8 secs Computing kpt #: 67 total cpu time spent up to now is 104.4 secs Computing kpt #: 68 total cpu time spent up to now is 105.7 secs Computing kpt #: 69 total cpu time spent up to now is 107.0 secs Computing kpt #: 70 total cpu time spent up to now is 108.3 secs Computing kpt #: 71 total cpu time spent up to now is 109.7 secs Computing kpt #: 72 total cpu time spent up to now is 111.2 secs Computing kpt #: 73 total cpu time spent up to now is 112.7 secs Computing kpt #: 74 total cpu time spent up to now is 114.2 secs Computing kpt #: 75 total cpu time spent up to now is 115.5 secs Computing kpt #: 76 total cpu time spent up to now is 117.1 secs Computing kpt #: 77 total cpu time spent up to now is 118.8 secs Computing kpt #: 78 total cpu time spent up to now is 120.6 secs Computing kpt #: 79 total cpu time spent up to now is 122.4 secs Computing kpt #: 80 total cpu time spent up to now is 124.6 secs Computing kpt #: 81 total cpu time spent up to now is 126.7 secs Computing kpt #: 82 total cpu time spent up to now is 128.7 secs Computing kpt #: 83 total cpu time spent up to now is 130.8 secs Computing kpt #: 84 total cpu time spent up to now is 133.0 secs Computing kpt #: 85 total cpu time spent up to now is 135.0 secs Computing kpt #: 86 total cpu time spent up to now is 137.2 secs Computing kpt #: 87 total cpu time spent up to now is 139.2 secs Computing kpt #: 88 total cpu time spent up to now is 141.4 secs Computing kpt #: 89 total cpu time spent up to now is 143.4 secs Computing kpt #: 90 total cpu time spent up to now is 145.4 secs Computing kpt #: 91 total cpu time spent up to now is 147.1 secs Computing kpt #: 92 total cpu time spent up to now is 148.8 secs Computing kpt #: 93 total cpu time spent up to now is 150.6 secs Computing kpt #: 94 total cpu time spent up to now is 152.1 secs Computing kpt #: 95 total cpu time spent up to now is 153.6 secs Computing kpt #: 96 total cpu time spent up to now is 155.1 secs Computing kpt #: 97 total cpu time spent up to now is 156.5 secs Computing kpt #: 98 total cpu time spent up to now is 158.0 secs Computing kpt #: 99 total cpu time spent up to now is 159.3 secs Computing kpt #: 100 total cpu time spent up to now is 160.8 secs Computing kpt #: 101 total cpu time spent up to now is 162.0 secs Computing kpt #: 102 total cpu time spent up to now is 163.4 secs Computing kpt #: 103 total cpu time spent up to now is 164.7 secs Computing kpt #: 104 total cpu time spent up to now is 166.1 secs Computing kpt #: 105 total cpu time spent up to now is 167.4 secs Computing kpt #: 106 total cpu time spent up to now is 168.6 secs Computing kpt #: 107 total cpu time spent up to now is 169.7 secs Computing kpt #: 108 total cpu time spent up to now is 171.0 secs Computing kpt #: 109 total cpu time spent up to now is 172.2 secs Computing kpt #: 110 total cpu time spent up to now is 173.4 secs Computing kpt #: 111 total cpu time spent up to now is 174.7 secs Computing kpt #: 112 total cpu time spent up to now is 175.9 secs Computing kpt #: 113 total cpu time spent up to now is 177.3 secs Computing kpt #: 114 total cpu time spent up to now is 178.6 secs Computing kpt #: 115 total cpu time spent up to now is 180.0 secs Computing kpt #: 116 total cpu time spent up to now is 181.3 secs Computing kpt #: 117 total cpu time spent up to now is 182.6 secs Computing kpt #: 118 total cpu time spent up to now is 184.0 secs Computing kpt #: 119 total cpu time spent up to now is 185.3 secs Computing kpt #: 120 total cpu time spent up to now is 186.6 secs Computing kpt #: 121 total cpu time spent up to now is 187.9 secs Computing kpt #: 122 total cpu time spent up to now is 189.2 secs Computing kpt #: 123 total cpu time spent up to now is 190.5 secs Computing kpt #: 124 total cpu time spent up to now is 191.9 secs Computing kpt #: 125 total cpu time spent up to now is 193.1 secs Computing kpt #: 126 total cpu time spent up to now is 194.4 secs Computing kpt #: 127 total cpu time spent up to now is 195.6 secs Computing kpt #: 128 total cpu time spent up to now is 196.9 secs Computing kpt #: 129 total cpu time spent up to now is 198.2 secs Computing kpt #: 130 total cpu time spent up to now is 199.4 secs Computing kpt #: 131 total cpu time spent up to now is 200.7 secs Computing kpt #: 132 total cpu time spent up to now is 201.9 secs Computing kpt #: 133 total cpu time spent up to now is 203.2 secs Computing kpt #: 134 total cpu time spent up to now is 204.4 secs Computing kpt #: 135 total cpu time spent up to now is 205.7 secs Computing kpt #: 136 total cpu time spent up to now is 206.9 secs Computing kpt #: 137 total cpu time spent up to now is 208.2 secs Computing kpt #: 138 total cpu time spent up to now is 209.5 secs Computing kpt #: 139 total cpu time spent up to now is 210.7 secs Computing kpt #: 140 total cpu time spent up to now is 212.1 secs Computing kpt #: 141 total cpu time spent up to now is 213.5 secs Computing kpt #: 142 total cpu time spent up to now is 214.8 secs Computing kpt #: 143 total cpu time spent up to now is 216.2 secs Computing kpt #: 144 total cpu time spent up to now is 217.5 secs Computing kpt #: 145 total cpu time spent up to now is 218.9 secs Computing kpt #: 146 total cpu time spent up to now is 220.2 secs Computing kpt #: 147 total cpu time spent up to now is 221.6 secs Computing kpt #: 148 total cpu time spent up to now is 222.9 secs Computing kpt #: 149 total cpu time spent up to now is 224.2 secs Computing kpt #: 150 total cpu time spent up to now is 225.7 secs Computing kpt #: 151 total cpu time spent up to now is 227.0 secs Computing kpt #: 152 total cpu time spent up to now is 228.3 secs Computing kpt #: 153 total cpu time spent up to now is 229.7 secs Computing kpt #: 154 total cpu time spent up to now is 231.2 secs Computing kpt #: 155 total cpu time spent up to now is 232.6 secs Computing kpt #: 156 total cpu time spent up to now is 234.1 secs Computing kpt #: 157 total cpu time spent up to now is 235.6 secs Computing kpt #: 158 total cpu time spent up to now is 237.1 secs Computing kpt #: 159 total cpu time spent up to now is 239.2 secs Computing kpt #: 160 total cpu time spent up to now is 241.3 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.7 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.4 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.8 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.2 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.5 secs Computing kpt #: 167 total cpu time spent up to now is 257.5 secs Computing kpt #: 168 total cpu time spent up to now is 259.2 secs Computing kpt #: 169 total cpu time spent up to now is 260.6 secs Computing kpt #: 170 total cpu time spent up to now is 262.1 secs Computing kpt #: 171 total cpu time spent up to now is 263.6 secs Computing kpt #: 172 total cpu time spent up to now is 265.2 secs Computing kpt #: 173 total cpu time spent up to now is 266.7 secs Computing kpt #: 174 total cpu time spent up to now is 268.2 secs Computing kpt #: 175 total cpu time spent up to now is 269.5 secs Computing kpt #: 176 total cpu time spent up to now is 270.9 secs Computing kpt #: 177 total cpu time spent up to now is 272.3 secs Computing kpt #: 178 total cpu time spent up to now is 273.6 secs Computing kpt #: 179 total cpu time spent up to now is 274.9 secs Computing kpt #: 180 total cpu time spent up to now is 276.2 secs Computing kpt #: 181 total cpu time spent up to now is 277.9 secs Computing kpt #: 182 total cpu time spent up to now is 279.4 secs Computing kpt #: 183 total cpu time spent up to now is 281.1 secs Computing kpt #: 184 total cpu time spent up to now is 282.8 secs Computing kpt #: 185 total cpu time spent up to now is 284.8 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 187 total cpu time spent up to now is 289.0 secs Computing kpt #: 188 total cpu time spent up to now is 290.8 secs Computing kpt #: 189 total cpu time spent up to now is 292.4 secs Computing kpt #: 190 total cpu time spent up to now is 294.1 secs Computing kpt #: 191 total cpu time spent up to now is 295.7 secs Computing kpt #: 192 total cpu time spent up to now is 297.1 secs Computing kpt #: 193 total cpu time spent up to now is 298.5 secs Computing kpt #: 194 total cpu time spent up to now is 300.0 secs Computing kpt #: 195 total cpu time spent up to now is 301.2 secs Computing kpt #: 196 total cpu time spent up to now is 302.5 secs Computing kpt #: 197 total cpu time spent up to now is 303.8 secs Computing kpt #: 198 total cpu time spent up to now is 305.0 secs Computing kpt #: 199 total cpu time spent up to now is 306.5 secs Computing kpt #: 200 total cpu time spent up to now is 308.0 secs Computing kpt #: 201 total cpu time spent up to now is 309.2 secs Computing kpt #: 202 total cpu time spent up to now is 310.6 secs Computing kpt #: 203 total cpu time spent up to now is 312.0 secs Computing kpt #: 204 total cpu time spent up to now is 313.4 secs Computing kpt #: 205 total cpu time spent up to now is 314.8 secs Computing kpt #: 206 total cpu time spent up to now is 316.5 secs Computing kpt #: 207 total cpu time spent up to now is 318.1 secs Computing kpt #: 208 total cpu time spent up to now is 319.8 secs Computing kpt #: 209 total cpu time spent up to now is 321.5 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 211 total cpu time spent up to now is 325.8 secs Computing kpt #: 212 total cpu time spent up to now is 327.9 secs Computing kpt #: 213 total cpu time spent up to now is 330.1 secs Computing kpt #: 214 total cpu time spent up to now is 332.3 secs Computing kpt #: 215 total cpu time spent up to now is 334.3 secs Computing kpt #: 216 total cpu time spent up to now is 336.5 secs Computing kpt #: 217 total cpu time spent up to now is 338.5 secs Computing kpt #: 218 total cpu time spent up to now is 340.8 secs Computing kpt #: 219 total cpu time spent up to now is 342.8 secs Computing kpt #: 220 total cpu time spent up to now is 344.4 secs Computing kpt #: 221 total cpu time spent up to now is 346.0 secs Computing kpt #: 222 total cpu time spent up to now is 347.5 secs Computing kpt #: 223 total cpu time spent up to now is 349.0 secs Computing kpt #: 224 total cpu time spent up to now is 350.4 secs Computing kpt #: 225 total cpu time spent up to now is 351.9 secs Computing kpt #: 226 total cpu time spent up to now is 353.3 secs Computing kpt #: 227 total cpu time spent up to now is 354.8 secs Computing kpt #: 228 total cpu time spent up to now is 356.1 secs Computing kpt #: 229 total cpu time spent up to now is 357.5 secs Computing kpt #: 230 total cpu time spent up to now is 358.9 secs Computing kpt #: 231 total cpu time spent up to now is 360.3 secs Computing kpt #: 232 total cpu time spent up to now is 361.6 secs Computing kpt #: 233 total cpu time spent up to now is 363.0 secs Computing kpt #: 234 total cpu time spent up to now is 364.4 secs Computing kpt #: 235 total cpu time spent up to now is 365.8 secs Computing kpt #: 236 total cpu time spent up to now is 367.1 secs Computing kpt #: 237 total cpu time spent up to now is 368.4 secs Computing kpt #: 238 total cpu time spent up to now is 369.7 secs Computing kpt #: 239 total cpu time spent up to now is 370.9 secs Computing kpt #: 240 total cpu time spent up to now is 372.2 secs Computing kpt #: 241 total cpu time spent up to now is 373.5 secs Computing kpt #: 242 total cpu time spent up to now is 374.7 secs Computing kpt #: 243 total cpu time spent up to now is 376.0 secs Computing kpt #: 244 total cpu time spent up to now is 377.2 secs Computing kpt #: 245 total cpu time spent up to now is 378.9 secs Computing kpt #: 246 total cpu time spent up to now is 380.4 secs Computing kpt #: 247 total cpu time spent up to now is 382.1 secs Computing kpt #: 248 total cpu time spent up to now is 383.8 secs Computing kpt #: 249 total cpu time spent up to now is 385.2 secs Computing kpt #: 250 total cpu time spent up to now is 386.8 secs Computing kpt #: 251 total cpu time spent up to now is 388.4 secs Computing kpt #: 252 total cpu time spent up to now is 389.9 secs Computing kpt #: 253 total cpu time spent up to now is 391.6 secs Computing kpt #: 254 total cpu time spent up to now is 393.1 secs Computing kpt #: 255 total cpu time spent up to now is 395.1 secs Computing kpt #: 256 total cpu time spent up to now is 396.7 secs Computing kpt #: 257 total cpu time spent up to now is 398.2 secs Computing kpt #: 258 total cpu time spent up to now is 399.4 secs Computing kpt #: 259 total cpu time spent up to now is 400.9 secs Computing kpt #: 260 total cpu time spent up to now is 402.6 secs Computing kpt #: 261 total cpu time spent up to now is 404.0 secs Computing kpt #: 262 total cpu time spent up to now is 405.4 secs Computing kpt #: 263 total cpu time spent up to now is 406.7 secs Computing kpt #: 264 total cpu time spent up to now is 407.9 secs Computing kpt #: 265 total cpu time spent up to now is 409.2 secs Computing kpt #: 266 total cpu time spent up to now is 410.6 secs Computing kpt #: 267 total cpu time spent up to now is 411.9 secs Computing kpt #: 268 total cpu time spent up to now is 413.2 secs Computing kpt #: 269 total cpu time spent up to now is 414.5 secs Computing kpt #: 270 total cpu time spent up to now is 415.8 secs Computing kpt #: 271 total cpu time spent up to now is 417.0 secs Computing kpt #: 272 total cpu time spent up to now is 418.3 secs Computing kpt #: 273 total cpu time spent up to now is 419.6 secs Computing kpt #: 274 total cpu time spent up to now is 420.9 secs Computing kpt #: 275 total cpu time spent up to now is 422.1 secs Computing kpt #: 276 total cpu time spent up to now is 423.5 secs ethr = 2.08E-08, avg # of iterations = 55.4 total cpu time spent up to now is 423.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8605 -0.8605 -0.0780 -0.0780 0.3929 0.3929 0.4672 0.4672 0.7132 0.7132 0.8464 0.8464 1.0146 1.0146 4.6649 4.6649 5.2201 5.2201 6.3334 6.3334 6.3512 6.3512 6.5950 6.5950 6.8836 6.8836 6.8900 6.8900 6.9116 6.9116 k = 0.0125 0.0072-0.0000 ( 7989 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4431 -11.4431 -11.3286 -11.3286 -0.8595 -0.8595 -0.0781 -0.0781 0.3901 0.3901 0.4686 0.4686 0.7123 0.7123 0.8463 0.8463 1.0133 1.0133 4.6655 4.6655 5.2228 5.2228 6.3309 6.3309 6.3490 6.3490 6.5937 6.5937 6.8856 6.8856 6.8921 6.8921 6.9128 6.9128 k = 0.0250 0.0144-0.0000 ( 7997 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7865 -16.7865 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3863 -16.3863 -11.4425 -11.4425 -11.3284 -11.3284 -0.8565 -0.8565 -0.0786 -0.0786 0.3823 0.3823 0.4723 0.4723 0.7094 0.7094 0.8458 0.8458 1.0094 1.0094 4.6675 4.6675 5.2310 5.2310 6.3217 6.3217 6.3442 6.3442 6.5901 6.5901 6.8905 6.8905 6.8989 6.8989 6.9167 6.9167 k = 0.0375 0.0217-0.0000 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7923 -18.7923 -18.4137 -18.4137 -18.4132 -18.4132 -16.8049 -16.8049 -16.7866 -16.7866 -16.4467 -16.4467 -16.4228 -16.4228 -16.3935 -16.3935 -16.3865 -16.3865 -11.4416 -11.4416 -11.3282 -11.3282 -0.8514 -0.8514 -0.0793 -0.0793 0.3706 0.3706 0.4771 0.4771 0.7046 0.7046 0.8448 0.8448 1.0030 1.0030 4.6708 4.6708 5.2443 5.2443 6.3040 6.3040 6.3393 6.3393 6.5847 6.5847 6.8976 6.8976 6.9093 6.9093 6.9242 6.9242 k = 0.0500 0.0289-0.0000 ( 7995 PWs) bands (ev): -37.5517 -37.5517 -35.5491 -35.5491 -35.5461 -35.5461 -18.7924 -18.7924 -18.4137 -18.4137 -18.4133 -18.4133 -16.8049 -16.8049 -16.7867 -16.7867 -16.4467 -16.4467 -16.4229 -16.4229 -16.3936 -16.3936 -16.3866 -16.3866 -11.4402 -11.4402 -11.3280 -11.3280 -0.8443 -0.8443 -0.0804 -0.0804 0.3561 0.3561 0.4821 0.4821 0.6981 0.6981 0.8433 0.8433 0.9946 0.9946 4.6755 4.6755 5.2624 5.2624 6.2787 6.2787 6.3343 6.3343 6.5780 6.5780 6.9062 6.9062 6.9204 6.9204 6.9376 6.9376 k = 0.0625 0.0361-0.0000 ( 7995 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7925 -18.7925 -18.4139 -18.4139 -18.4134 -18.4134 -16.8049 -16.8049 -16.7868 -16.7868 -16.4467 -16.4467 -16.4230 -16.4230 -16.3938 -16.3938 -16.3869 -16.3869 -11.4385 -11.4385 -11.3276 -11.3276 -0.8352 -0.8352 -0.0820 -0.0820 0.3394 0.3394 0.4868 0.4868 0.6898 0.6898 0.8410 0.8410 0.9843 0.9843 4.6815 4.6815 5.2846 5.2846 6.2476 6.2476 6.3289 6.3289 6.5706 6.5706 6.9154 6.9154 6.9316 6.9316 6.9568 6.9568 k = 0.0750 0.0433-0.0000 ( 7983 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7926 -18.7926 -18.4142 -18.4142 -18.4134 -18.4134 -16.8050 -16.8050 -16.7870 -16.7870 -16.4467 -16.4467 -16.4232 -16.4232 -16.3940 -16.3940 -16.3871 -16.3871 -11.4365 -11.4365 -11.3272 -11.3272 -0.8242 -0.8242 -0.0840 -0.0840 0.3208 0.3208 0.4908 0.4908 0.6799 0.6799 0.8378 0.8378 0.9726 0.9726 4.6888 4.6888 5.3100 5.3100 6.2124 6.2124 6.3227 6.3227 6.5630 6.5630 6.9241 6.9241 6.9452 6.9452 6.9798 6.9798 k = 0.0875 0.0505-0.0000 ( 7979 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7928 -18.7928 -18.4145 -18.4145 -18.4133 -18.4133 -16.8050 -16.8050 -16.7872 -16.7872 -16.4466 -16.4466 -16.4234 -16.4234 -16.3942 -16.3942 -16.3875 -16.3875 -11.4341 -11.4341 -11.3267 -11.3267 -0.8112 -0.8112 -0.0866 -0.0866 0.3008 0.3008 0.4939 0.4939 0.6685 0.6685 0.8334 0.8334 0.9600 0.9600 4.6976 4.6976 5.3373 5.3373 6.1746 6.1746 6.3160 6.3160 6.5554 6.5554 6.9320 6.9320 6.9616 6.9616 7.0051 7.0051 k = 0.1000 0.0577-0.0000 ( 7981 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7930 -18.7930 -18.4150 -18.4150 -18.4133 -18.4133 -16.8050 -16.8050 -16.7875 -16.7875 -16.4466 -16.4466 -16.4236 -16.4236 -16.3944 -16.3944 -16.3878 -16.3878 -11.4313 -11.4313 -11.3261 -11.3261 -0.7964 -0.7964 -0.0898 -0.0898 0.2794 0.2794 0.4962 0.4962 0.6558 0.6558 0.8276 0.8276 0.9471 0.9471 4.7078 4.7078 5.3649 5.3649 6.1364 6.1364 6.3086 6.3086 6.5481 6.5481 6.9395 6.9395 6.9806 6.9806 7.0319 7.0319 k = 0.1125 0.0650-0.0000 ( 7977 PWs) bands (ev): -37.5515 -37.5515 -35.5490 -35.5490 -35.5461 -35.5461 -18.7932 -18.7932 -18.4154 -18.4154 -18.4132 -18.4132 -16.8050 -16.8050 -16.7877 -16.7877 -16.4465 -16.4465 -16.4239 -16.4239 -16.3947 -16.3947 -16.3882 -16.3882 -11.4283 -11.4283 -11.3255 -11.3255 -0.7797 -0.7797 -0.0937 -0.0937 0.2568 0.2568 0.4974 0.4974 0.6420 0.6420 0.8203 0.8203 0.9344 0.9344 4.7193 4.7193 5.3906 5.3906 6.1000 6.1000 6.3007 6.3007 6.5412 6.5412 6.9470 6.9470 7.0019 7.0019 7.0598 7.0598 k = 0.1250 0.0722-0.0000 ( 7977 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7934 -18.7934 -18.4160 -18.4160 -18.4132 -18.4132 -16.8051 -16.8051 -16.7881 -16.7881 -16.4465 -16.4465 -16.4242 -16.4242 -16.3950 -16.3950 -16.3887 -16.3887 -11.4249 -11.4249 -11.3248 -11.3248 -0.7612 -0.7612 -0.0986 -0.0986 0.2332 0.2332 0.4975 0.4975 0.6273 0.6273 0.8113 0.8113 0.9221 0.9221 4.7323 4.7323 5.4117 5.4117 6.0682 6.0682 6.2923 6.2923 6.5347 6.5347 6.9548 6.9548 7.0250 7.0250 7.0884 7.0884 k = 0.1375 0.0794-0.0000 ( 7981 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7936 -18.7936 -18.4165 -18.4165 -18.4131 -18.4131 -16.8051 -16.8051 -16.7884 -16.7884 -16.4464 -16.4464 -16.4245 -16.4245 -16.3954 -16.3954 -16.3892 -16.3892 -11.4213 -11.4213 -11.3240 -11.3240 -0.7410 -0.7410 -0.1044 -0.1044 0.2087 0.2087 0.4965 0.4965 0.6121 0.6121 0.8008 0.8008 0.9106 0.9106 4.7467 4.7467 5.4247 5.4247 6.0442 6.0442 6.2836 6.2836 6.5286 6.5286 6.9634 6.9634 7.0498 7.0498 7.1174 7.1174 k = 0.1500 0.0866-0.0000 ( 7985 PWs) bands (ev): -37.5514 -37.5514 -35.5488 -35.5488 -35.5461 -35.5461 -18.7939 -18.7939 -18.4172 -18.4172 -18.4131 -18.4131 -16.8052 -16.8052 -16.7887 -16.7887 -16.4464 -16.4464 -16.4249 -16.4249 -16.3957 -16.3957 -16.3897 -16.3897 -11.4174 -11.4174 -11.3232 -11.3232 -0.7192 -0.7192 -0.1114 -0.1114 0.1836 0.1836 0.4942 0.4942 0.5968 0.5968 0.7889 0.7889 0.8999 0.8999 4.7624 4.7624 5.4265 5.4265 6.0309 6.0309 6.2746 6.2746 6.5229 6.5229 6.9730 6.9730 7.0761 7.0761 7.1467 7.1467 k = 0.1625 0.0938-0.0000 ( 7989 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5461 -35.5461 -18.7942 -18.7942 -18.4178 -18.4178 -18.4130 -18.4130 -16.8052 -16.8052 -16.7891 -16.7891 -16.4463 -16.4463 -16.4253 -16.4253 -16.3961 -16.3961 -16.3902 -16.3902 -11.4133 -11.4133 -11.3224 -11.3224 -0.6958 -0.6958 -0.1197 -0.1197 0.1579 0.1579 0.4903 0.4903 0.5821 0.5821 0.7759 0.7759 0.8899 0.8899 4.7795 4.7795 5.4149 5.4149 6.0301 6.0301 6.2653 6.2653 6.5176 6.5176 6.9843 6.9843 7.1037 7.1037 7.1761 7.1761 k = 0.1750 0.1010-0.0000 ( 7983 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5460 -35.5460 -18.7945 -18.7945 -18.4185 -18.4185 -18.4129 -18.4129 -16.8052 -16.8052 -16.7895 -16.7895 -16.4463 -16.4463 -16.4257 -16.4257 -16.3965 -16.3965 -16.3908 -16.3908 -11.4090 -11.4090 -11.3215 -11.3215 -0.6709 -0.6709 -0.1294 -0.1294 0.1319 0.1319 0.4847 0.4847 0.5684 0.5684 0.7621 0.7621 0.8805 0.8805 4.7979 4.7979 5.3900 5.3900 6.0410 6.0410 6.2559 6.2559 6.5131 6.5131 6.9976 6.9976 7.1325 7.1325 7.2056 7.2056 k = 0.1875 0.1083-0.0000 ( 7977 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7948 -18.7948 -18.4192 -18.4192 -18.4128 -18.4128 -16.8053 -16.8053 -16.7900 -16.7900 -16.4462 -16.4462 -16.4261 -16.4261 -16.3969 -16.3969 -16.3913 -16.3913 -11.4044 -11.4044 -11.3205 -11.3205 -0.6446 -0.6446 -0.1407 -0.1407 0.1057 0.1057 0.4773 0.4773 0.5563 0.5563 0.7479 0.7479 0.8713 0.8713 4.8175 4.8175 5.3535 5.3535 6.0610 6.0610 6.2463 6.2463 6.5096 6.5096 7.0134 7.0134 7.1623 7.1623 7.2350 7.2350 k = 0.2000 0.1155-0.0000 ( 7969 PWs) bands (ev): -37.5513 -37.5513 -35.5485 -35.5485 -35.5460 -35.5460 -18.7951 -18.7951 -18.4199 -18.4199 -18.4127 -18.4127 -16.8053 -16.8053 -16.7904 -16.7904 -16.4461 -16.4461 -16.4265 -16.4265 -16.3973 -16.3973 -16.3919 -16.3919 -11.3998 -11.3998 -11.3196 -11.3196 -0.6171 -0.6171 -0.1536 -0.1536 0.0796 0.0796 0.4681 0.4681 0.5460 0.5460 0.7336 0.7336 0.8623 0.8623 4.8381 4.8381 5.3082 5.3082 6.0865 6.0865 6.2366 6.2366 6.5078 6.5078 7.0319 7.0319 7.1931 7.1931 7.2645 7.2645 k = 0.2125 0.1227-0.0000 ( 7965 PWs) bands (ev): -37.5512 -37.5512 -35.5485 -35.5485 -35.5460 -35.5460 -18.7954 -18.7954 -18.4207 -18.4207 -18.4126 -18.4126 -16.8053 -16.8053 -16.7909 -16.7909 -16.4460 -16.4460 -16.4270 -16.4270 -16.3978 -16.3978 -16.3925 -16.3925 -11.3950 -11.3950 -11.3186 -11.3186 -0.5884 -0.5884 -0.1683 -0.1683 0.0538 0.0538 0.4577 0.4577 0.5374 0.5374 0.7193 0.7193 0.8532 0.8532 4.8596 4.8596 5.2566 5.2566 6.1136 6.1136 6.2269 6.2269 6.5086 6.5086 7.0535 7.0535 7.2247 7.2247 7.2939 7.2939 k = 0.2250 0.1299-0.0000 ( 7961 PWs) bands (ev): -37.5512 -37.5512 -35.5484 -35.5484 -35.5460 -35.5460 -18.7957 -18.7957 -18.4214 -18.4214 -18.4125 -18.4125 -16.8054 -16.8054 -16.7913 -16.7913 -16.4459 -16.4459 -16.4275 -16.4275 -16.3982 -16.3982 -16.3931 -16.3931 -11.3901 -11.3901 -11.3176 -11.3176 -0.5587 -0.5587 -0.1848 -0.1848 0.0286 0.0286 0.4465 0.4465 0.5301 0.5301 0.7053 0.7053 0.8441 0.8441 4.8814 4.8814 5.2014 5.2014 6.1385 6.1385 6.2173 6.2173 6.5130 6.5130 7.0783 7.0783 7.2569 7.2569 7.3233 7.3233 k = 0.2375 0.1371-0.0000 ( 7963 PWs) bands (ev): -37.5512 -37.5512 -35.5483 -35.5483 -35.5460 -35.5460 -18.7961 -18.7961 -18.4222 -18.4222 -18.4124 -18.4124 -16.8054 -16.8054 -16.7918 -16.7918 -16.4458 -16.4458 -16.4280 -16.4280 -16.3987 -16.3987 -16.3937 -16.3937 -11.3851 -11.3851 -11.3166 -11.3166 -0.5283 -0.5283 -0.2030 -0.2030 0.0042 0.0042 0.4352 0.4352 0.5238 0.5238 0.6916 0.6916 0.8347 0.8347 4.9028 4.9028 5.1450 5.1450 6.1584 6.1584 6.2076 6.2076 6.5222 6.5222 7.1063 7.1063 7.2898 7.2898 7.3527 7.3527 k = 0.2500 0.1443-0.0000 ( 7967 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7964 -18.7964 -18.4230 -18.4230 -18.4123 -18.4123 -16.8054 -16.8054 -16.7923 -16.7923 -16.4457 -16.4457 -16.4286 -16.4286 -16.3992 -16.3992 -16.3942 -16.3942 -11.3801 -11.3801 -11.3155 -11.3155 -0.4972 -0.4972 -0.2227 -0.2227 -0.0192 -0.0192 0.4242 0.4242 0.5180 0.5180 0.6784 0.6784 0.8251 0.8251 4.9212 4.9212 5.0909 5.0909 6.1712 6.1712 6.1981 6.1981 6.5368 6.5368 7.1373 7.1373 7.3231 7.3231 7.3821 7.3821 k = 0.2625 0.1516-0.0000 ( 7965 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7968 -18.7968 -18.4237 -18.4237 -18.4122 -18.4122 -16.8054 -16.8054 -16.7928 -16.7928 -16.4456 -16.4456 -16.4291 -16.4291 -16.3996 -16.3996 -16.3948 -16.3948 -11.3751 -11.3751 -11.3145 -11.3145 -0.4659 -0.4659 -0.2438 -0.2438 -0.0412 -0.0412 0.4139 0.4139 0.5125 0.5125 0.6658 0.6658 0.8152 0.8152 4.9286 4.9286 5.0481 5.0481 6.1763 6.1763 6.1887 6.1887 6.5566 6.5566 7.1706 7.1706 7.3567 7.3567 7.4116 7.4116 k = 0.2750 0.1588-0.0000 ( 7955 PWs) bands (ev): -37.5510 -37.5510 -35.5481 -35.5481 -35.5460 -35.5460 -18.7971 -18.7971 -18.4245 -18.4245 -18.4121 -18.4121 -16.8054 -16.8054 -16.7933 -16.7933 -16.4454 -16.4454 -16.4297 -16.4297 -16.4001 -16.4001 -16.3953 -16.3953 -11.3702 -11.3702 -11.3135 -11.3135 -0.4348 -0.4348 -0.2657 -0.2657 -0.0617 -0.0617 0.4044 0.4044 0.5071 0.5071 0.6540 0.6540 0.8051 0.8051 4.9081 4.9081 5.0340 5.0340 6.1742 6.1742 6.1795 6.1795 6.5809 6.5809 7.2055 7.2055 7.3905 7.3905 7.4412 7.4412 k = 0.2875 0.1660-0.0000 ( 7967 PWs) bands (ev): -37.5510 -37.5510 -35.5480 -35.5480 -35.5460 -35.5460 -18.7975 -18.7975 -18.4253 -18.4253 -18.4120 -18.4120 -16.8055 -16.8055 -16.7938 -16.7938 -16.4453 -16.4453 -16.4302 -16.4302 -16.4006 -16.4006 -16.3959 -16.3959 -11.3652 -11.3652 -11.3125 -11.3125 -0.4049 -0.4049 -0.2875 -0.2875 -0.0805 -0.0805 0.3958 0.3958 0.5015 0.5015 0.6429 0.6429 0.7947 0.7947 4.8628 4.8628 5.0462 5.0462 6.1660 6.1660 6.1705 6.1705 6.6084 6.6084 7.2408 7.2408 7.4243 7.4244 7.4707 7.4707 k = 0.3000 0.1732-0.0000 ( 7971 PWs) bands (ev): -37.5509 -37.5509 -35.5479 -35.5479 -35.5460 -35.5460 -18.7978 -18.7978 -18.4260 -18.4260 -18.4119 -18.4119 -16.8055 -16.8055 -16.7944 -16.7944 -16.4451 -16.4451 -16.4308 -16.4308 -16.4011 -16.4011 -16.3964 -16.3964 -11.3604 -11.3604 -11.3116 -11.3116 -0.3789 -0.3789 -0.3067 -0.3067 -0.0970 -0.0970 0.3881 0.3881 0.4956 0.4956 0.6327 0.6327 0.7840 0.7840 4.8090 4.8090 5.0685 5.0685 6.1530 6.1530 6.1617 6.1617 6.6379 6.6379 7.2755 7.2755 7.4581 7.4581 7.5000 7.5000 k = 0.3125 0.1804-0.0000 ( 7957 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7981 -18.7981 -18.4267 -18.4267 -18.4118 -18.4118 -16.8055 -16.8055 -16.7949 -16.7949 -16.4450 -16.4450 -16.4314 -16.4314 -16.4015 -16.4015 -16.3969 -16.3969 -11.3556 -11.3556 -11.3106 -11.3106 -0.3670 -0.3670 -0.3135 -0.3135 -0.1108 -0.1108 0.3813 0.3813 0.4895 0.4895 0.6234 0.6234 0.7731 0.7731 4.7536 4.7536 5.0943 5.0943 6.1365 6.1365 6.1533 6.1533 6.6687 6.6687 7.3086 7.3086 7.4916 7.4916 7.5283 7.5283 k = 0.3250 0.1876-0.0000 ( 7957 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7984 -18.7984 -18.4274 -18.4274 -18.4117 -18.4117 -16.8054 -16.8054 -16.7954 -16.7954 -16.4448 -16.4448 -16.4319 -16.4319 -16.4019 -16.4019 -16.3973 -16.3973 -11.3511 -11.3511 -11.3097 -11.3097 -0.3782 -0.3782 -0.2999 -0.2999 -0.1206 -0.1206 0.3754 0.3754 0.4828 0.4828 0.6152 0.6152 0.7620 0.7620 4.6989 4.6989 5.1217 5.1217 6.1174 6.1174 6.1453 6.1453 6.7002 6.7002 7.3390 7.3390 7.5245 7.5245 7.5547 7.5547 k = 0.3375 0.1949-0.0000 ( 7959 PWs) bands (ev): -37.5508 -37.5508 -35.5477 -35.5477 -35.5460 -35.5460 -18.7987 -18.7987 -18.4281 -18.4281 -18.4117 -18.4117 -16.8054 -16.8054 -16.7959 -16.7959 -16.4446 -16.4446 -16.4325 -16.4325 -16.4024 -16.4024 -16.3978 -16.3978 -11.3466 -11.3466 -11.3088 -11.3088 -0.3983 -0.3983 -0.2814 -0.2814 -0.1249 -0.1249 0.3701 0.3701 0.4757 0.4757 0.6081 0.6081 0.7507 0.7507 4.6458 4.6458 5.1497 5.1497 6.0967 6.0967 6.1376 6.1376 6.7321 6.7321 7.3662 7.3662 7.5567 7.5567 7.5783 7.5783 k = 0.3500 0.2021-0.0000 ( 7961 PWs) bands (ev): -37.5508 -37.5508 -35.5476 -35.5476 -35.5460 -35.5460 -18.7990 -18.7990 -18.4287 -18.4287 -18.4116 -18.4116 -16.8054 -16.8054 -16.7963 -16.7963 -16.4445 -16.4445 -16.4331 -16.4331 -16.4028 -16.4028 -16.3982 -16.3982 -11.3424 -11.3424 -11.3080 -11.3080 -0.4201 -0.4201 -0.2673 -0.2673 -0.1216 -0.1216 0.3655 0.3655 0.4681 0.4681 0.6021 0.6021 0.7394 0.7394 4.5951 4.5951 5.1778 5.1778 6.0748 6.0748 6.1303 6.1303 6.7644 6.7644 7.3900 7.3900 7.5878 7.5878 7.5982 7.5982 k = 0.3625 0.2093-0.0000 ( 7973 PWs) bands (ev): -37.5508 -37.5508 -35.5475 -35.5475 -35.5460 -35.5460 -18.7993 -18.7993 -18.4293 -18.4293 -18.4115 -18.4115 -16.8054 -16.8054 -16.7968 -16.7968 -16.4443 -16.4443 -16.4336 -16.4336 -16.4032 -16.4032 -16.3985 -16.3985 -11.3384 -11.3384 -11.3072 -11.3072 -0.4417 -0.4417 -0.2603 -0.2603 -0.1098 -0.1098 0.3615 0.3615 0.4601 0.4601 0.5973 0.5973 0.7279 0.7279 4.5472 4.5472 5.2056 5.2056 6.0525 6.0525 6.1235 6.1235 6.7971 6.7971 7.4101 7.4101 7.6125 7.6125 7.6193 7.6193 k = 0.3750 0.2165-0.0000 ( 7969 PWs) bands (ev): -37.5507 -37.5507 -35.5475 -35.5475 -35.5460 -35.5460 -18.7996 -18.7996 -18.4299 -18.4299 -18.4114 -18.4114 -16.8053 -16.8053 -16.7973 -16.7973 -16.4441 -16.4441 -16.4342 -16.4342 -16.4036 -16.4036 -16.3989 -16.3989 -11.3347 -11.3347 -11.3065 -11.3065 -0.4625 -0.4625 -0.2596 -0.2596 -0.0911 -0.0911 0.3580 0.3580 0.4516 0.4516 0.5934 0.5934 0.7165 0.7165 4.5024 4.5024 5.2329 5.2329 6.0302 6.0302 6.1171 6.1171 6.8301 6.8301 7.4264 7.4264 7.6255 7.6255 7.6472 7.6483 k = 0.3875 0.2237-0.0000 ( 7964 PWs) bands (ev): -37.5507 -37.5507 -35.5474 -35.5474 -35.5460 -35.5460 -18.7998 -18.7998 -18.4304 -18.4304 -18.4114 -18.4114 -16.8052 -16.8052 -16.7977 -16.7977 -16.4439 -16.4439 -16.4347 -16.4347 -16.4039 -16.4039 -16.3992 -16.3992 -11.3312 -11.3312 -11.3059 -11.3059 -0.4819 -0.4819 -0.2628 -0.2628 -0.0680 -0.0680 0.3548 0.3548 0.4428 0.4428 0.5907 0.5907 0.7052 0.7052 4.4609 4.4609 5.2593 5.2593 6.0084 6.0084 6.1113 6.1113 6.8636 6.8636 7.4387 7.4387 7.6329 7.6329 7.6465 7.6466 k = 0.4000 0.2309-0.0000 ( 7960 PWs) bands (ev): -37.5507 -37.5507 -35.5473 -35.5473 -35.5460 -35.5460 -18.8001 -18.8001 -18.4308 -18.4308 -18.4113 -18.4113 -16.8052 -16.8052 -16.7981 -16.7981 -16.4436 -16.4436 -16.4352 -16.4352 -16.4042 -16.4042 -16.3995 -16.3995 -11.3280 -11.3280 -11.3053 -11.3053 -0.4999 -0.4999 -0.2680 -0.2680 -0.0430 -0.0430 0.3520 0.3520 0.4338 0.4338 0.5889 0.5889 0.6941 0.6941 4.4232 4.4232 5.2845 5.2845 5.9872 5.9872 6.1060 6.1060 6.8975 6.8975 7.4464 7.4464 7.6168 7.6168 7.6473 7.6474 k = 0.4125 0.2382-0.0000 ( 7976 PWs) bands (ev): -37.5506 -37.5506 -35.5473 -35.5473 -35.5460 -35.5460 -18.8003 -18.8003 -18.4313 -18.4313 -18.4112 -18.4112 -16.8051 -16.8051 -16.7985 -16.7985 -16.4434 -16.4434 -16.4357 -16.4357 -16.4045 -16.4045 -16.3997 -16.3997 -11.3251 -11.3251 -11.3048 -11.3048 -0.5161 -0.5161 -0.2739 -0.2739 -0.0177 -0.0177 0.3495 0.3495 0.4247 0.4247 0.5880 0.5880 0.6833 0.6833 4.3893 4.3893 5.3081 5.3081 5.9672 5.9672 6.1013 6.1013 6.9319 6.9319 7.4480 7.4480 7.5914 7.5914 7.6545 7.6545 k = 0.4250 0.2454-0.0000 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8004 -18.8004 -18.4316 -18.4316 -18.4112 -18.4112 -16.8050 -16.8050 -16.7988 -16.7988 -16.4432 -16.4432 -16.4361 -16.4361 -16.4047 -16.4047 -16.3999 -16.3999 -11.3226 -11.3226 -11.3043 -11.3043 -0.5304 -0.5304 -0.2797 -0.2797 0.0067 0.0067 0.3472 0.3472 0.4158 0.4158 0.5880 0.5880 0.6729 0.6729 4.3595 4.3595 5.3299 5.3299 5.9488 5.9488 6.0971 6.0971 6.9667 6.9667 7.4412 7.4412 7.5683 7.5683 7.6614 7.6614 k = 0.4375 0.2526-0.0000 ( 7962 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8006 -18.8006 -18.4319 -18.4319 -18.4111 -18.4111 -16.8050 -16.8050 -16.7991 -16.7991 -16.4430 -16.4430 -16.4365 -16.4365 -16.4049 -16.4049 -16.4001 -16.4001 -11.3204 -11.3204 -11.3040 -11.3040 -0.5428 -0.5428 -0.2850 -0.2850 0.0295 0.0295 0.3450 0.3450 0.4073 0.4073 0.5887 0.5887 0.6631 0.6631 4.3340 4.3340 5.3493 5.3493 5.9322 5.9322 6.0936 6.0936 7.0017 7.0017 7.4241 7.4241 7.5517 7.5517 7.6676 7.6676 k = 0.4500 0.2598-0.0000 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5460 -35.5460 -18.8007 -18.8007 -18.4322 -18.4322 -18.4111 -18.4111 -16.8049 -16.8049 -16.7994 -16.7994 -16.4428 -16.4428 -16.4369 -16.4369 -16.4051 -16.4051 -16.4003 -16.4003 -11.3185 -11.3185 -11.3037 -11.3037 -0.5530 -0.5530 -0.2896 -0.2896 0.0497 0.0497 0.3429 0.3429 0.3997 0.3997 0.5902 0.5902 0.6541 0.6541 4.3129 4.3129 5.3660 5.3660 5.9179 5.9179 6.0907 6.0907 7.0365 7.0365 7.3979 7.3979 7.5423 7.5423 7.6730 7.6730 k = 0.4625 0.2670-0.0000 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5460 -35.5460 -18.8008 -18.8008 -18.4324 -18.4324 -18.4111 -18.4111 -16.8048 -16.8048 -16.7996 -16.7996 -16.4426 -16.4426 -16.4372 -16.4372 -16.4052 -16.4052 -16.4004 -16.4004 -11.3171 -11.3171 -11.3035 -11.3035 -0.5610 -0.5610 -0.2933 -0.2933 0.0667 0.0667 0.3410 0.3410 0.3931 0.3931 0.5921 0.5921 0.6461 0.6461 4.2964 4.2964 5.3796 5.3796 5.9062 5.9062 6.0884 6.0884 7.0702 7.0702 7.3671 7.3671 7.5376 7.5376 7.6775 7.6775 k = 0.4750 0.2742-0.0000 ( 7974 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4326 -18.4326 -18.4111 -18.4111 -16.8048 -16.8048 -16.7998 -16.7998 -16.4425 -16.4425 -16.4375 -16.4375 -16.4053 -16.4053 -16.4005 -16.4005 -11.3160 -11.3160 -11.3034 -11.3034 -0.5668 -0.5668 -0.2960 -0.2960 0.0796 0.0796 0.3394 0.3394 0.3882 0.3882 0.5942 0.5942 0.6397 0.6397 4.2845 4.2845 5.3897 5.3897 5.8975 5.8975 6.0867 6.0867 7.1011 7.1011 7.3367 7.3367 7.5355 7.5355 7.6808 7.6808 k = 0.4875 0.2815-0.0000 ( 7974 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4326 -18.4326 -18.4111 -18.4111 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3154 -11.3154 -11.3033 -11.3033 -0.5703 -0.5703 -0.2977 -0.2977 0.0877 0.0877 0.3382 0.3382 0.3851 0.3851 0.5959 0.5959 0.6353 0.6353 4.2773 4.2773 5.3959 5.3959 5.8922 5.8922 6.0858 6.0858 7.1249 7.1249 7.3124 7.3124 7.5346 7.5346 7.6829 7.6829 k = 0.5000 0.2887-0.0000 ( 7970 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5714 -0.5714 -0.2982 -0.2982 0.0905 0.0905 0.3378 0.3378 0.3840 0.3840 0.5966 0.5966 0.6338 0.6338 4.2749 4.2749 5.3980 5.3980 5.8904 5.8904 6.0854 6.0854 7.1345 7.1345 7.3026 7.3026 7.5343 7.5343 7.6836 7.6836 k = 0.5000 0.2887-0.0000 ( 7970 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5714 -0.5714 -0.2982 -0.2982 0.0905 0.0905 0.3378 0.3378 0.3840 0.3840 0.5966 0.5966 0.6338 0.6338 4.2749 4.2749 5.3980 5.3980 5.8904 5.8904 6.0854 6.0854 7.1345 7.1345 7.3026 7.3026 7.5343 7.5343 7.6836 7.6836 k = 0.4931 0.3007-0.0000 ( 7970 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4006 -16.4006 -11.3151 -11.3151 -11.3032 -11.3032 -0.5707 -0.5707 -0.2979 -0.2979 0.0907 0.0907 0.3372 0.3372 0.3838 0.3838 0.5951 0.5951 0.6334 0.6334 4.2759 4.2759 5.3987 5.3987 5.8916 5.8916 6.0818 6.0818 7.1371 7.1371 7.3019 7.3019 7.5358 7.5358 7.6850 7.6850 k = 0.4861 0.3127-0.0000 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4006 -16.4006 -11.3150 -11.3150 -11.3032 -11.3032 -0.5686 -0.5686 -0.2969 -0.2969 0.0915 0.0915 0.3353 0.3353 0.3832 0.3832 0.5909 0.5909 0.6323 0.6323 4.2789 4.2789 5.4007 5.4007 5.8946 5.8946 6.0716 6.0716 7.1450 7.1450 7.2998 7.2998 7.5393 7.5393 7.6897 7.6897 k = 0.4792 0.3248-0.0000 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8047 -16.8047 -16.8000 -16.8000 -16.4423 -16.4423 -16.4376 -16.4376 -16.4055 -16.4055 -16.4007 -16.4007 -11.3147 -11.3147 -11.3031 -11.3031 -0.5651 -0.5651 -0.2953 -0.2953 0.0927 0.0927 0.3321 0.3321 0.3822 0.3822 0.5843 0.5843 0.6303 0.6303 4.2838 4.2838 5.4040 5.4040 5.8973 5.8973 6.0576 6.0576 7.1579 7.1579 7.2964 7.2964 7.5429 7.5429 7.6995 7.6995 k = 0.4722 0.3368-0.0000 ( 7966 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4326 -18.4326 -18.4112 -18.4112 -16.8047 -16.8047 -16.8000 -16.8000 -16.4423 -16.4423 -16.4376 -16.4376 -16.4055 -16.4055 -16.4008 -16.4008 -11.3143 -11.3143 -11.3030 -11.3030 -0.5602 -0.5602 -0.2930 -0.2930 0.0944 0.0944 0.3275 0.3275 0.3807 0.3807 0.5755 0.5755 0.6275 0.6275 4.2907 4.2907 5.4085 5.4085 5.8947 5.8947 6.0452 6.0452 7.1759 7.1759 7.2921 7.2921 7.5438 7.5438 7.7162 7.7162 k = 0.4653 0.3488-0.0000 ( 7964 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4326 -18.4326 -18.4113 -18.4113 -16.8047 -16.8047 -16.8001 -16.8001 -16.4423 -16.4423 -16.4376 -16.4376 -16.4056 -16.4056 -16.4009 -16.4009 -11.3138 -11.3138 -11.3029 -11.3029 -0.5540 -0.5540 -0.2902 -0.2902 0.0965 0.0965 0.3213 0.3213 0.3788 0.3788 0.5650 0.5650 0.6238 0.6238 4.2996 4.2996 5.4143 5.4143 5.8802 5.8802 6.0422 6.0422 7.1988 7.1988 7.2869 7.2869 7.5401 7.5401 7.7410 7.7410 k = 0.4583 0.3608-0.0000 ( 7958 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4114 -18.4114 -16.8047 -16.8047 -16.8001 -16.8001 -16.4422 -16.4422 -16.4376 -16.4376 -16.4057 -16.4057 -16.4011 -16.4011 -11.3131 -11.3131 -11.3028 -11.3028 -0.5465 -0.5465 -0.2868 -0.2868 0.0990 0.0990 0.3135 0.3135 0.3763 0.3763 0.5534 0.5534 0.6194 0.6194 4.3104 4.3104 5.4211 5.4211 5.8504 5.8504 6.0525 6.0525 7.2263 7.2263 7.2812 7.2812 7.5313 7.5313 7.7736 7.7736 k = 0.4514 0.3729-0.0000 ( 7964 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4115 -18.4115 -16.8046 -16.8046 -16.8002 -16.8002 -16.4422 -16.4422 -16.4376 -16.4376 -16.4058 -16.4058 -16.4013 -16.4013 -11.3124 -11.3124 -11.3026 -11.3026 -0.5376 -0.5376 -0.2829 -0.2829 0.1018 0.1018 0.3038 0.3038 0.3731 0.3731 0.5410 0.5410 0.6143 0.6143 4.3232 4.3232 5.4289 5.4289 5.8082 5.8082 6.0743 6.0743 7.2578 7.2578 7.2753 7.2753 7.5176 7.5176 7.8125 7.8131 k = 0.4444 0.3849-0.0000 ( 7966 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4117 -18.4117 -16.8046 -16.8046 -16.8003 -16.8003 -16.4421 -16.4421 -16.4376 -16.4376 -16.4059 -16.4059 -16.4015 -16.4015 -11.3117 -11.3117 -11.3025 -11.3025 -0.5275 -0.5275 -0.2785 -0.2785 0.1049 0.1049 0.2922 0.2922 0.3691 0.3691 0.5285 0.5285 0.6087 0.6087 4.3379 4.3379 5.4376 5.4376 5.7575 5.7575 6.1043 6.1043 7.2664 7.2664 7.2959 7.2959 7.4999 7.4999 7.8191 7.8191 k = 0.4375 0.3969-0.0000 ( 7972 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4326 -18.4326 -18.4118 -18.4118 -16.8046 -16.8046 -16.8005 -16.8005 -16.4421 -16.4421 -16.4376 -16.4376 -16.4060 -16.4060 -16.4017 -16.4017 -11.3108 -11.3108 -11.3023 -11.3023 -0.5163 -0.5163 -0.2737 -0.2737 0.1081 0.1081 0.2787 0.2787 0.3642 0.3642 0.5164 0.5164 0.6028 0.6028 4.3545 4.3545 5.4470 5.4470 5.7012 5.7012 6.1401 6.1401 7.2585 7.2585 7.3360 7.3360 7.4788 7.4788 7.8097 7.8097 k = 0.4306 0.4090-0.0000 ( 7960 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4326 -18.4326 -18.4119 -18.4119 -16.8045 -16.8045 -16.8006 -16.8006 -16.4420 -16.4420 -16.4375 -16.4375 -16.4061 -16.4061 -16.4020 -16.4020 -11.3099 -11.3099 -11.3021 -11.3021 -0.5039 -0.5039 -0.2687 -0.2687 0.1113 0.1113 0.2634 0.2634 0.3581 0.3581 0.5054 0.5054 0.5968 0.5968 4.3731 4.3731 5.4570 5.4570 5.6411 5.6411 6.1805 6.1805 7.2492 7.2492 7.3797 7.3797 7.4550 7.4550 7.8002 7.8002 k = 0.4236 0.4210-0.0000 ( 7956 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8013 -18.8013 -18.4326 -18.4326 -18.4121 -18.4121 -16.8045 -16.8045 -16.8007 -16.8007 -16.4419 -16.4419 -16.4375 -16.4375 -16.4063 -16.4063 -16.4022 -16.4022 -11.3089 -11.3089 -11.3018 -11.3018 -0.4905 -0.4905 -0.2634 -0.2634 0.1143 0.1143 0.2466 0.2466 0.3507 0.3507 0.4957 0.4957 0.5906 0.5906 4.3936 4.3936 5.4675 5.4675 5.5785 5.5785 6.2246 6.2246 7.2383 7.2383 7.4191 7.4191 7.4361 7.4361 7.7913 7.7913 k = 0.4167 0.4330-0.0000 ( 7950 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8013 -18.8013 -18.4326 -18.4326 -18.4122 -18.4122 -16.8044 -16.8044 -16.8008 -16.8008 -16.4419 -16.4419 -16.4375 -16.4375 -16.4064 -16.4064 -16.4025 -16.4025 -11.3079 -11.3079 -11.3016 -11.3016 -0.4761 -0.4761 -0.2582 -0.2582 0.1167 0.1167 0.2288 0.2288 0.3422 0.3422 0.4877 0.4877 0.5845 0.5845 4.4160 4.4160 5.4780 5.4780 5.5147 5.5147 6.2719 6.2719 7.2256 7.2256 7.3974 7.3974 7.4788 7.4788 7.7838 7.7838 k = 0.4097 0.4450-0.0000 ( 7930 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5461 -35.5461 -18.8014 -18.8014 -18.4326 -18.4326 -18.4123 -18.4123 -16.8043 -16.8043 -16.8010 -16.8010 -16.4418 -16.4418 -16.4375 -16.4375 -16.4065 -16.4065 -16.4027 -16.4027 -11.3069 -11.3069 -11.3014 -11.3014 -0.4608 -0.4608 -0.2530 -0.2530 0.1177 0.1177 0.2109 0.2109 0.3326 0.3326 0.4814 0.4814 0.5785 0.5785 4.4402 4.4402 5.4485 5.4485 5.4901 5.4901 6.3218 6.3218 7.2109 7.2109 7.3670 7.3670 7.5300 7.5300 7.7782 7.7782 k = 0.4028 0.4571-0.0000 ( 7926 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8014 -18.8014 -18.4326 -18.4326 -18.4125 -18.4125 -16.8043 -16.8043 -16.8011 -16.8011 -16.4417 -16.4417 -16.4375 -16.4375 -16.4066 -16.4066 -16.4030 -16.4030 -11.3059 -11.3059 -11.3012 -11.3012 -0.4448 -0.4448 -0.2481 -0.2481 0.1164 0.1164 0.1945 0.1945 0.3223 0.3223 0.4769 0.4769 0.5726 0.5726 4.4663 4.4663 5.3836 5.3836 5.5008 5.5008 6.3740 6.3740 7.1938 7.1938 7.3349 7.3349 7.5824 7.5824 7.7747 7.7747 k = 0.3958 0.4691-0.0000 ( 7938 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8015 -18.8015 -18.4326 -18.4326 -18.4126 -18.4126 -16.8042 -16.8042 -16.8013 -16.8013 -16.4416 -16.4416 -16.4375 -16.4375 -16.4068 -16.4068 -16.4032 -16.4032 -11.3049 -11.3049 -11.3009 -11.3009 -0.4281 -0.4281 -0.2438 -0.2438 0.1109 0.1109 0.1814 0.1814 0.3116 0.3116 0.4739 0.4739 0.5668 0.5668 4.4942 4.4942 5.3189 5.3189 5.5116 5.5116 6.4281 6.4281 7.1744 7.1744 7.3015 7.3015 7.6343 7.6343 7.7734 7.7735 k = 0.3889 0.4811-0.0000 ( 7946 PWs) bands (ev): -37.5505 -37.5505 -35.5467 -35.5467 -35.5462 -35.5462 -18.8015 -18.8015 -18.4326 -18.4326 -18.4128 -18.4128 -16.8041 -16.8041 -16.8015 -16.8015 -16.4416 -16.4416 -16.4375 -16.4375 -16.4069 -16.4069 -16.4035 -16.4035 -11.3040 -11.3040 -11.3007 -11.3007 -0.4110 -0.4110 -0.2403 -0.2403 0.1004 0.1004 0.1733 0.1733 0.3010 0.3010 0.4723 0.4723 0.5611 0.5611 4.5238 4.5238 5.2549 5.2549 5.5221 5.5221 6.4838 6.4838 7.1528 7.1528 7.2672 7.2672 7.6842 7.6842 7.7746 7.7746 k = 0.3819 0.4932-0.0000 ( 7952 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8016 -18.8016 -18.4327 -18.4327 -18.4129 -18.4129 -16.8040 -16.8040 -16.8017 -16.8017 -16.4415 -16.4415 -16.4375 -16.4375 -16.4070 -16.4070 -16.4037 -16.4037 -11.3031 -11.3031 -11.3005 -11.3005 -0.3936 -0.3936 -0.2378 -0.2378 0.0860 0.0860 0.1695 0.1695 0.2909 0.2909 0.4718 0.4718 0.5556 0.5556 4.5552 4.5552 5.1922 5.1922 5.5321 5.5321 6.5408 6.5408 7.1290 7.1290 7.2323 7.2323 7.7301 7.7301 7.7781 7.7781 k = 0.3750 0.5052-0.0000 ( 7960 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8017 -18.8017 -18.4327 -18.4327 -18.4130 -18.4130 -16.8039 -16.8039 -16.8018 -16.8018 -16.4414 -16.4414 -16.4376 -16.4376 -16.4071 -16.4071 -16.4039 -16.4039 -11.3023 -11.3023 -11.3003 -11.3003 -0.3760 -0.3760 -0.2368 -0.2368 0.0698 0.0698 0.1682 0.1682 0.2818 0.2818 0.4722 0.4722 0.5501 0.5501 4.5883 4.5883 5.1312 5.1312 5.5414 5.5414 6.5988 6.5988 7.1034 7.1034 7.1972 7.1972 7.7694 7.7694 7.7836 7.7836 k = 0.3681 0.5172-0.0000 ( 7952 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4131 -18.4131 -16.8038 -16.8038 -16.8020 -16.8020 -16.4414 -16.4414 -16.4376 -16.4376 -16.4072 -16.4072 -16.4041 -16.4041 -11.3015 -11.3015 -11.3001 -11.3001 -0.3587 -0.3587 -0.2376 -0.2376 0.0540 0.0540 0.1679 0.1679 0.2741 0.2741 0.4733 0.4733 0.5449 0.5449 4.6230 4.6230 5.0723 5.0723 5.5498 5.5498 6.6576 6.6576 7.0764 7.0764 7.1622 7.1622 7.7899 7.7899 7.8013 7.8013 k = 0.3611 0.5292-0.0000 ( 7948 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4131 -18.4131 -16.8037 -16.8037 -16.8022 -16.8022 -16.4413 -16.4413 -16.4376 -16.4376 -16.4073 -16.4073 -16.4043 -16.4043 -11.3009 -11.3009 -11.3000 -11.3000 -0.3418 -0.3418 -0.2403 -0.2403 0.0399 0.0399 0.1680 0.1680 0.2679 0.2679 0.4749 0.4749 0.5400 0.5400 4.6593 4.6593 5.0157 5.0157 5.5571 5.5571 6.7167 6.7167 7.0484 7.0484 7.1277 7.1277 7.7982 7.7982 7.8228 7.8228 k = 0.3542 0.5413-0.0000 ( 7936 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8035 -16.8035 -16.8024 -16.8024 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4044 -16.4044 -11.3004 -11.3004 -11.2998 -11.2998 -0.3259 -0.3259 -0.2449 -0.2449 0.0283 0.0283 0.1679 0.1679 0.2633 0.2633 0.4767 0.4767 0.5355 0.5355 4.6971 4.6971 4.9618 4.9618 5.5632 5.5632 6.7757 6.7757 7.0198 7.0198 7.0941 7.0941 7.8071 7.8071 7.8353 7.8353 k = 0.3472 0.5533-0.0000 ( 7936 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8034 -16.8034 -16.8026 -16.8026 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4045 -16.4045 -11.3000 -11.3000 -11.2996 -11.2996 -0.3117 -0.3117 -0.2512 -0.2512 0.0199 0.0199 0.1678 0.1678 0.2603 0.2603 0.4786 0.4786 0.5318 0.5318 4.7364 4.7364 4.9109 4.9109 5.5677 5.5677 6.8336 6.8336 6.9913 6.9913 7.0622 7.0622 7.8161 7.8161 7.8399 7.8399 k = 0.3403 0.5653-0.0000 ( 7942 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2999 -11.2999 -11.2995 -11.2995 -0.3005 -0.3005 -0.2576 -0.2576 0.0148 0.0148 0.1677 0.1677 0.2586 0.2586 0.4799 0.4799 0.5292 0.5292 4.7770 4.7770 4.8632 4.8632 5.5706 5.5706 6.8871 6.8871 6.9643 6.9643 7.0339 7.0339 7.8249 7.8249 7.8386 7.8386 k = 0.3333 0.5774-0.0000 ( 7944 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2959 -0.2959 -0.2608 -0.2608 0.0131 0.0131 0.1676 0.1676 0.2581 0.2581 0.4804 0.4804 0.5283 0.5283 4.8177 4.8177 4.8201 4.8201 5.5716 5.5716 6.9172 6.9172 6.9490 6.9490 7.0185 7.0185 7.8326 7.8326 7.8331 7.8331 k = 0.3333 0.5774-0.0000 ( 7944 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2959 -0.2959 -0.2608 -0.2608 0.0131 0.0131 0.1676 0.1676 0.2581 0.2581 0.4804 0.4804 0.5283 0.5283 4.8177 4.8177 4.8201 4.8201 5.5716 5.5716 6.9172 6.9172 6.9490 6.9490 7.0185 7.0185 7.8326 7.8326 7.8331 7.8331 k = 0.3262 0.5651-0.0000 ( 7938 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8027 -16.8027 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4045 -16.4045 -11.2999 -11.2999 -11.2995 -11.2995 -0.3004 -0.3004 -0.2576 -0.2576 0.0148 0.0148 0.1676 0.1676 0.2586 0.2586 0.4799 0.4799 0.5293 0.5293 4.7774 4.7774 4.8629 4.8629 5.5705 5.5705 6.8994 6.8994 6.9434 6.9434 7.0426 7.0426 7.8238 7.8238 7.8397 7.8397 k = 0.3191 0.5528-0.0000 ( 7928 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8034 -16.8034 -16.8025 -16.8025 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4045 -16.4045 -11.3001 -11.3001 -11.2996 -11.2996 -0.3106 -0.3106 -0.2515 -0.2515 0.0196 0.0196 0.1676 0.1676 0.2600 0.2600 0.4783 0.4783 0.5324 0.5324 4.7399 4.7399 4.9080 4.9080 5.5671 5.5671 6.8740 6.8740 6.9217 6.9217 7.0915 7.0915 7.8126 7.8126 7.8447 7.8447 k = 0.3121 0.5405-0.0000 ( 7936 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4132 -18.4132 -16.8036 -16.8036 -16.8023 -16.8023 -16.4413 -16.4413 -16.4376 -16.4376 -16.4073 -16.4073 -16.4044 -16.4044 -11.3007 -11.3007 -11.2997 -11.2997 -0.3226 -0.3226 -0.2456 -0.2456 0.0269 0.0269 0.1671 0.1671 0.2624 0.2624 0.4762 0.4762 0.5373 0.5373 4.7066 4.7066 4.9541 4.9541 5.5613 5.5613 6.8489 6.8489 6.8968 6.8968 7.1441 7.1441 7.7999 7.7999 7.8473 7.8473 k = 0.3050 0.5282-0.0000 ( 7932 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4131 -18.4131 -16.8038 -16.8038 -16.8021 -16.8021 -16.4414 -16.4414 -16.4375 -16.4375 -16.4072 -16.4072 -16.4042 -16.4042 -11.3014 -11.3014 -11.2999 -11.2999 -0.3349 -0.3349 -0.2409 -0.2409 0.0363 0.0363 0.1659 0.1659 0.2660 0.2660 0.4740 0.4740 0.5437 0.5437 4.6777 4.6777 5.0012 5.0012 5.5530 5.5530 6.8251 6.8251 6.8724 6.8724 7.1951 7.1951 7.7865 7.7865 7.8471 7.8471 k = 0.2979 0.5159-0.0000 ( 7934 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5462 -35.5462 -18.8016 -18.8016 -18.4326 -18.4326 -18.4131 -18.4131 -16.8039 -16.8039 -16.8018 -16.8018 -16.4415 -16.4415 -16.4373 -16.4373 -16.4071 -16.4071 -16.4041 -16.4041 -11.3024 -11.3024 -11.3000 -11.3000 -0.3466 -0.3466 -0.2375 -0.2375 0.0468 0.0468 0.1638 0.1638 0.2710 0.2710 0.4721 0.4721 0.5512 0.5512 4.6531 4.6531 5.0489 5.0489 5.5422 5.5422 6.8030 6.8030 6.8495 6.8495 7.2421 7.2421 7.7733 7.7733 7.8438 7.8438 k = 0.2908 0.5036-0.0000 ( 7938 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8016 -18.8016 -18.4325 -18.4325 -18.4130 -18.4130 -16.8041 -16.8041 -16.8015 -16.8015 -16.4416 -16.4416 -16.4372 -16.4372 -16.4070 -16.4070 -16.4039 -16.4039 -11.3037 -11.3037 -11.3003 -11.3003 -0.3573 -0.3573 -0.2351 -0.2351 0.0570 0.0570 0.1613 0.1613 0.2775 0.2775 0.4710 0.4710 0.5597 0.5597 4.6331 4.6331 5.0972 5.0972 5.5290 5.5290 6.7826 6.7826 6.8284 6.8284 7.2831 7.2831 7.7611 7.7611 7.8374 7.8374 k = 0.2837 0.4914-0.0000 ( 7950 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8015 -18.8015 -18.4323 -18.4323 -18.4130 -18.4130 -16.8043 -16.8043 -16.8012 -16.8012 -16.4418 -16.4418 -16.4370 -16.4370 -16.4068 -16.4068 -16.4037 -16.4037 -11.3052 -11.3052 -11.3006 -11.3006 -0.3667 -0.3667 -0.2336 -0.2336 0.0648 0.0648 0.1598 0.1598 0.2855 0.2855 0.4707 0.4707 0.5690 0.5690 4.6176 4.6176 5.1457 5.1457 5.5135 5.5135 6.7640 6.7640 6.8094 6.8094 7.3159 7.3159 7.7511 7.7511 7.8279 7.8279 k = 0.2766 0.4791-0.0000 ( 7952 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5461 -35.5461 -18.8014 -18.8014 -18.4322 -18.4322 -18.4129 -18.4129 -16.8044 -16.8044 -16.8009 -16.8009 -16.4420 -16.4420 -16.4368 -16.4368 -16.4066 -16.4066 -16.4034 -16.4034 -11.3070 -11.3070 -11.3009 -11.3009 -0.3744 -0.3744 -0.2327 -0.2327 0.0677 0.0677 0.1615 0.1615 0.2949 0.2949 0.4714 0.4714 0.5789 0.5789 4.6068 4.6068 5.1942 5.1942 5.4961 5.4961 6.7470 6.7470 6.7925 6.7925 7.3381 7.3381 7.7449 7.7449 7.8156 7.8156 k = 0.2695 0.4668-0.0000 ( 7944 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4319 -18.4319 -18.4129 -18.4129 -16.8046 -16.8046 -16.8005 -16.8005 -16.4422 -16.4422 -16.4365 -16.4365 -16.4064 -16.4064 -16.4031 -16.4031 -11.3090 -11.3090 -11.3013 -11.3013 -0.3804 -0.3804 -0.2320 -0.2320 0.0635 0.0635 0.1683 0.1683 0.3054 0.3054 0.4731 0.4731 0.5895 0.5895 4.6006 4.6006 5.2420 5.2420 5.4774 5.4774 6.7317 6.7317 6.7778 6.7778 7.3474 7.3474 7.7432 7.7432 7.8010 7.8010 k = 0.2624 0.4545-0.0000 ( 7944 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8011 -18.8011 -18.4317 -18.4317 -18.4128 -18.4128 -16.8047 -16.8047 -16.8002 -16.8002 -16.4424 -16.4424 -16.4362 -16.4362 -16.4061 -16.4061 -16.4028 -16.4028 -11.3113 -11.3113 -11.3017 -11.3017 -0.3845 -0.3845 -0.2313 -0.2313 0.0528 0.0528 0.1797 0.1797 0.3167 0.3167 0.4760 0.4760 0.6007 0.6007 4.5990 4.5990 5.2875 5.2875 5.4590 5.4590 6.7177 6.7177 6.7654 6.7654 7.3427 7.3427 7.7462 7.7462 7.7847 7.7847 k = 0.2553 0.4422-0.0000 ( 7950 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8009 -18.8009 -18.4314 -18.4314 -18.4127 -18.4127 -16.8048 -16.8048 -16.7998 -16.7998 -16.4426 -16.4426 -16.4359 -16.4359 -16.4058 -16.4058 -16.4024 -16.4024 -11.3139 -11.3139 -11.3022 -11.3022 -0.3866 -0.3866 -0.2306 -0.2306 0.0371 0.0371 0.1943 0.1943 0.3285 0.3285 0.4799 0.4799 0.6123 0.6123 4.6020 4.6020 5.3264 5.3264 5.4455 5.4455 6.7049 6.7049 6.7552 6.7552 7.3243 7.3243 7.7518 7.7518 7.7675 7.7675 k = 0.2482 0.4299-0.0000 ( 7944 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8007 -18.8007 -18.4311 -18.4311 -18.4127 -18.4127 -16.8049 -16.8049 -16.7994 -16.7994 -16.4428 -16.4428 -16.4355 -16.4355 -16.4055 -16.4055 -16.4021 -16.4021 -11.3167 -11.3167 -11.3028 -11.3028 -0.3868 -0.3868 -0.2299 -0.2299 0.0180 0.0180 0.2107 0.2107 0.3406 0.3406 0.4850 0.4850 0.6244 0.6244 4.6095 4.6095 5.3462 5.3462 5.4493 5.4493 6.6931 6.6931 6.7472 6.7472 7.2938 7.2938 7.7475 7.7475 7.7601 7.7601 k = 0.2411 0.4177-0.0000 ( 7960 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5460 -35.5460 -18.8005 -18.8005 -18.4307 -18.4307 -18.4126 -18.4126 -16.8051 -16.8051 -16.7990 -16.7990 -16.4431 -16.4431 -16.4352 -16.4352 -16.4052 -16.4052 -16.4017 -16.4017 -11.3198 -11.3198 -11.3034 -11.3034 -0.3849 -0.3849 -0.2294 -0.2294 -0.0030 -0.0030 0.2278 0.2278 0.3527 0.3527 0.4912 0.4912 0.6368 0.6368 4.6214 4.6214 5.3389 5.3389 5.4785 5.4785 6.6819 6.6819 6.7413 6.7413 7.2535 7.2535 7.7298 7.7298 7.7631 7.7631 k = 0.2340 0.4054-0.0000 ( 7952 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8003 -18.8003 -18.4303 -18.4303 -18.4126 -18.4126 -16.8051 -16.8051 -16.7985 -16.7985 -16.4433 -16.4433 -16.4348 -16.4348 -16.4048 -16.4048 -16.4013 -16.4013 -11.3231 -11.3231 -11.3040 -11.3040 -0.3810 -0.3810 -0.2293 -0.2293 -0.0249 -0.0249 0.2452 0.2452 0.3646 0.3646 0.4986 0.4986 0.6495 0.6495 4.6376 4.6376 5.3175 5.3175 5.5204 5.5204 6.6711 6.6711 6.7377 6.7377 7.2052 7.2052 7.7117 7.7117 7.7615 7.7615 k = 0.2270 0.3931-0.0000 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5473 -35.5473 -35.5460 -35.5460 -18.8001 -18.8001 -18.4299 -18.4299 -18.4126 -18.4126 -16.8052 -16.8052 -16.7981 -16.7981 -16.4436 -16.4436 -16.4343 -16.4343 -16.4044 -16.4044 -16.4008 -16.4008 -11.3267 -11.3267 -11.3047 -11.3047 -0.3753 -0.3753 -0.2304 -0.2304 -0.0463 -0.0463 0.2625 0.2625 0.3762 0.3762 0.5072 0.5072 0.6624 0.6624 4.6581 4.6581 5.2907 5.2907 5.5661 5.5661 6.6605 6.6605 6.7362 6.7362 7.1508 7.1508 7.6939 7.6939 7.7536 7.7536 k = 0.2199 0.3808-0.0000 ( 7962 PWs) bands (ev): -37.5507 -37.5507 -35.5474 -35.5474 -35.5460 -35.5460 -18.7998 -18.7998 -18.4295 -18.4295 -18.4125 -18.4125 -16.8053 -16.8053 -16.7976 -16.7976 -16.4438 -16.4438 -16.4339 -16.4339 -16.4040 -16.4040 -16.4004 -16.4004 -11.3304 -11.3304 -11.3055 -11.3055 -0.3676 -0.3676 -0.2338 -0.2338 -0.0657 -0.0657 0.2794 0.2794 0.3874 0.3874 0.5170 0.5170 0.6755 0.6755 4.6826 4.6826 5.2616 5.2616 5.6130 5.6130 6.6499 6.6499 6.7368 6.7368 7.0918 7.0918 7.6763 7.6763 7.7405 7.7405 k = 0.2128 0.3685-0.0000 ( 7970 PWs) bands (ev): -37.5507 -37.5507 -35.5475 -35.5475 -35.5460 -35.5460 -18.7995 -18.7995 -18.4290 -18.4290 -18.4125 -18.4125 -16.8054 -16.8054 -16.7972 -16.7972 -16.4440 -16.4440 -16.4334 -16.4334 -16.4036 -16.4036 -16.3999 -16.3999 -11.3344 -11.3344 -11.3063 -11.3063 -0.3583 -0.3583 -0.2409 -0.2409 -0.0813 -0.0813 0.2959 0.2959 0.3981 0.3981 0.5280 0.5280 0.6887 0.6887 4.7109 4.7109 5.2311 5.2311 5.6599 5.6599 6.6393 6.6393 6.7393 6.7393 7.0293 7.0293 7.6587 7.6587 7.7240 7.7241 k = 0.2057 0.3562-0.0000 ( 7970 PWs) bands (ev): -37.5508 -37.5508 -35.5475 -35.5475 -35.5460 -35.5460 -18.7993 -18.7993 -18.4284 -18.4284 -18.4125 -18.4125 -16.8054 -16.8054 -16.7967 -16.7967 -16.4442 -16.4442 -16.4330 -16.4330 -16.4032 -16.4032 -16.3994 -16.3994 -11.3386 -11.3386 -11.3071 -11.3071 -0.3476 -0.3476 -0.2529 -0.2529 -0.0914 -0.0914 0.3117 0.3117 0.4084 0.4084 0.5400 0.5400 0.7019 0.7019 4.7430 4.7430 5.2000 5.2000 5.7063 5.7063 6.6286 6.6286 6.7436 6.7436 6.9643 6.9643 7.6407 7.6407 7.7054 7.7054 k = 0.1986 0.3440-0.0000 ( 7972 PWs) bands (ev): -37.5508 -37.5508 -35.5476 -35.5476 -35.5460 -35.5460 -18.7990 -18.7990 -18.4279 -18.4279 -18.4125 -18.4125 -16.8054 -16.8054 -16.7962 -16.7962 -16.4444 -16.4444 -16.4325 -16.4325 -16.4028 -16.4028 -16.3988 -16.3988 -11.3430 -11.3430 -11.3080 -11.3080 -0.3359 -0.3359 -0.2699 -0.2699 -0.0954 -0.0954 0.3269 0.3269 0.4184 0.4184 0.5529 0.5529 0.7151 0.7151 4.7785 4.7785 5.1686 5.1686 5.7518 5.7518 6.6178 6.6178 6.7495 6.7495 6.8975 6.8975 7.6215 7.6215 7.6852 7.6852 k = 0.1915 0.3317-0.0000 ( 7970 PWs) bands (ev): -37.5508 -37.5508 -35.5477 -35.5477 -35.5460 -35.5460 -18.7986 -18.7986 -18.4273 -18.4273 -18.4125 -18.4125 -16.8055 -16.8055 -16.7957 -16.7957 -16.4446 -16.4446 -16.4319 -16.4319 -16.4023 -16.4023 -16.3983 -16.3983 -11.3475 -11.3475 -11.3089 -11.3089 -0.3255 -0.3255 -0.2892 -0.2892 -0.0937 -0.0937 0.3413 0.3413 0.4281 0.4281 0.5667 0.5667 0.7283 0.7283 4.8172 4.8172 5.1372 5.1372 5.7964 5.7964 6.6070 6.6070 6.7568 6.7568 6.8298 6.8298 7.6006 7.6006 7.6632 7.6632 k = 0.1844 0.3194-0.0000 ( 7970 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7983 -18.7983 -18.4266 -18.4266 -18.4125 -18.4125 -16.8055 -16.8055 -16.7952 -16.7952 -16.4448 -16.4448 -16.4314 -16.4314 -16.4019 -16.4019 -16.3978 -16.3978 -11.3521 -11.3521 -11.3098 -11.3098 -0.3303 -0.3303 -0.2958 -0.2958 -0.0874 -0.0874 0.3552 0.3552 0.4376 0.4376 0.5811 0.5811 0.7412 0.7412 4.8590 4.8590 5.1059 5.1059 5.8397 5.8397 6.5963 6.5963 6.7556 6.7556 6.7713 6.7713 7.5775 7.5775 7.6391 7.6391 k = 0.1773 0.3071-0.0000 ( 7964 PWs) bands (ev): -37.5509 -37.5509 -35.5479 -35.5479 -35.5460 -35.5460 -18.7980 -18.7980 -18.4260 -18.4260 -18.4125 -18.4125 -16.8055 -16.8055 -16.7947 -16.7947 -16.4450 -16.4450 -16.4309 -16.4309 -16.4014 -16.4014 -16.3972 -16.3972 -11.3569 -11.3569 -11.3108 -11.3108 -0.3546 -0.3546 -0.2843 -0.2843 -0.0776 -0.0776 0.3685 0.3685 0.4470 0.4470 0.5961 0.5961 0.7540 0.7540 4.9034 4.9034 5.0750 5.0750 5.8815 5.8815 6.5857 6.5857 6.6910 6.6910 6.7772 6.7772 7.5519 7.5519 7.6125 7.6126 k = 0.1702 0.2948-0.0000 ( 7964 PWs) bands (ev): -37.5510 -37.5510 -35.5479 -35.5479 -35.5460 -35.5460 -18.7977 -18.7977 -18.4253 -18.4253 -18.4125 -18.4125 -16.8055 -16.8055 -16.7942 -16.7942 -16.4451 -16.4451 -16.4304 -16.4304 -16.4009 -16.4009 -16.3966 -16.3966 -11.3618 -11.3618 -11.3118 -11.3118 -0.3837 -0.3837 -0.2688 -0.2688 -0.0651 -0.0651 0.3814 0.3814 0.4563 0.4563 0.6115 0.6115 0.7666 0.7666 4.9502 4.9502 5.0447 5.0447 5.9218 5.9218 6.5751 6.5751 6.6231 6.6231 6.7880 6.7880 7.5239 7.5239 7.5832 7.5832 k = 0.1631 0.2825-0.0000 ( 7952 PWs) bands (ev): -37.5510 -37.5510 -35.5480 -35.5480 -35.5460 -35.5460 -18.7973 -18.7973 -18.4246 -18.4246 -18.4125 -18.4125 -16.8055 -16.8055 -16.7936 -16.7936 -16.4453 -16.4453 -16.4299 -16.4299 -16.4004 -16.4004 -16.3960 -16.3960 -11.3667 -11.3667 -11.3128 -11.3128 -0.4143 -0.4143 -0.2523 -0.2523 -0.0503 -0.0503 0.3940 0.3940 0.4656 0.4656 0.6272 0.6272 0.7789 0.7789 4.9988 4.9988 5.0152 5.0152 5.9605 5.9605 6.5505 6.5505 6.5701 6.5701 6.7998 6.7998 7.4939 7.4939 7.5509 7.5509 k = 0.1560 0.2702-0.0000 ( 7951 PWs) bands (ev): -37.5510 -37.5510 -35.5481 -35.5481 -35.5460 -35.5460 -18.7970 -18.7970 -18.4239 -18.4239 -18.4126 -18.4126 -16.8054 -16.8054 -16.7931 -16.7931 -16.4454 -16.4454 -16.4293 -16.4293 -16.4000 -16.4000 -16.3954 -16.3954 -11.3717 -11.3717 -11.3138 -11.3138 -0.4455 -0.4455 -0.2355 -0.2355 -0.0336 -0.0336 0.4064 0.4064 0.4748 0.4748 0.6431 0.6431 0.7908 0.7908 4.9861 4.9861 5.0494 5.0494 5.9973 5.9973 6.4857 6.4857 6.5588 6.5588 6.8120 6.8120 7.4623 7.4623 7.5160 7.5160 k = 0.1489 0.2580-0.0000 ( 7951 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7966 -18.7966 -18.4232 -18.4232 -18.4126 -18.4126 -16.8054 -16.8054 -16.7926 -16.7926 -16.4455 -16.4455 -16.4288 -16.4288 -16.3995 -16.3995 -16.3948 -16.3948 -11.3767 -11.3767 -11.3148 -11.3148 -0.4767 -0.4767 -0.2188 -0.2188 -0.0153 -0.0153 0.4186 0.4186 0.4842 0.4842 0.6591 0.6591 0.8025 0.8025 4.9582 4.9582 5.1008 5.1008 6.0321 6.0321 6.4201 6.4201 6.5506 6.5506 6.8246 6.8246 7.4297 7.4297 7.4787 7.4787 k = 0.1418 0.2457-0.0000 ( 7961 PWs) bands (ev): -37.5511 -37.5511 -35.5483 -35.5483 -35.5460 -35.5460 -18.7963 -18.7963 -18.4225 -18.4225 -18.4126 -18.4126 -16.8054 -16.8054 -16.7921 -16.7921 -16.4457 -16.4457 -16.4283 -16.4283 -16.3990 -16.3990 -16.3942 -16.3942 -11.3817 -11.3817 -11.3158 -11.3158 -0.5077 -0.5077 -0.2025 -0.2025 0.0044 0.0044 0.4307 0.4307 0.4937 0.4937 0.6751 0.6751 0.8138 0.8138 4.9313 4.9313 5.1527 5.1527 6.0650 6.0650 6.3561 6.3561 6.5436 6.5436 6.8372 6.8372 7.3963 7.3963 7.4397 7.4397 k = 0.1348 0.2334-0.0000 ( 7957 PWs) bands (ev): -37.5512 -37.5512 -35.5483 -35.5483 -35.5460 -35.5460 -18.7960 -18.7960 -18.4217 -18.4217 -18.4127 -18.4127 -16.8054 -16.8054 -16.7917 -16.7917 -16.4458 -16.4458 -16.4278 -16.4278 -16.3986 -16.3986 -16.3936 -16.3936 -11.3866 -11.3866 -11.3169 -11.3169 -0.5382 -0.5382 -0.1869 -0.1869 0.0254 0.0254 0.4424 0.4424 0.5036 0.5036 0.6911 0.6911 0.8248 0.8248 4.9054 4.9054 5.2043 5.2043 6.0958 6.0958 6.2947 6.2947 6.5377 6.5377 6.8496 6.8496 7.3627 7.3627 7.3994 7.3994 k = 0.1277 0.2211-0.0000 ( 7961 PWs) bands (ev): -37.5512 -37.5512 -35.5484 -35.5484 -35.5460 -35.5460 -18.7956 -18.7956 -18.4210 -18.4210 -18.4127 -18.4127 -16.8053 -16.8053 -16.7912 -16.7912 -16.4459 -16.4459 -16.4273 -16.4273 -16.3981 -16.3981 -16.3930 -16.3930 -11.3915 -11.3915 -11.3179 -11.3179 -0.5680 -0.5680 -0.1723 -0.1723 0.0474 0.0474 0.4536 0.4536 0.5141 0.5141 0.7070 0.7070 0.8355 0.8355 4.8807 4.8807 5.2546 5.2546 6.1244 6.1244 6.2367 6.2367 6.5330 6.5330 6.8616 6.8616 7.3291 7.3291 7.3584 7.3584 k = 0.1206 0.2088-0.0000 ( 7965 PWs) bands (ev): -37.5513 -37.5513 -35.5485 -35.5485 -35.5460 -35.5460 -18.7953 -18.7953 -18.4203 -18.4203 -18.4128 -18.4128 -16.8053 -16.8053 -16.7907 -16.7907 -16.4460 -16.4460 -16.4268 -16.4268 -16.3977 -16.3977 -16.3924 -16.3924 -11.3963 -11.3963 -11.3189 -11.3189 -0.5969 -0.5969 -0.1587 -0.1587 0.0703 0.0703 0.4639 0.4639 0.5255 0.5255 0.7227 0.7227 0.8460 0.8460 4.8572 4.8572 5.3023 5.3023 6.1503 6.1503 6.1839 6.1839 6.5296 6.5296 6.8730 6.8730 7.2956 7.2956 7.3173 7.3173 k = 0.1135 0.1965-0.0000 ( 7971 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7950 -18.7950 -18.4196 -18.4196 -18.4129 -18.4129 -16.8053 -16.8053 -16.7903 -16.7903 -16.4461 -16.4461 -16.4264 -16.4264 -16.3972 -16.3972 -16.3918 -16.3918 -11.4010 -11.4010 -11.3198 -11.3198 -0.6248 -0.6248 -0.1464 -0.1464 0.0939 0.0939 0.4730 0.4730 0.5381 0.5381 0.7380 0.7380 0.8563 0.8563 4.8350 4.8350 5.3458 5.3458 6.1349 6.1349 6.1765 6.1765 6.5274 6.5274 6.8835 6.8835 7.2621 7.2621 7.2767 7.2767 k = 0.1064 0.1843-0.0000 ( 7971 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7947 -18.7947 -18.4189 -18.4189 -18.4129 -18.4129 -16.8052 -16.8052 -16.7898 -16.7898 -16.4462 -16.4462 -16.4260 -16.4260 -16.3968 -16.3968 -16.3912 -16.3912 -11.4056 -11.4056 -11.3208 -11.3208 -0.6515 -0.6515 -0.1353 -0.1353 0.1180 0.1180 0.4805 0.4805 0.5519 0.5519 0.7529 0.7529 0.8666 0.8666 4.8141 4.8141 5.3829 5.3829 6.0961 6.0961 6.1985 6.1985 6.5264 6.5264 6.8930 6.8930 7.2282 7.2282 7.2378 7.2378 k = 0.0993 0.1720-0.0000 ( 7977 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5460 -35.5460 -18.7944 -18.7944 -18.4182 -18.4182 -18.4130 -18.4130 -16.8052 -16.8052 -16.7894 -16.7894 -16.4463 -16.4463 -16.4256 -16.4256 -16.3964 -16.3964 -16.3907 -16.3907 -11.4100 -11.4100 -11.3217 -11.3217 -0.6770 -0.6770 -0.1254 -0.1254 0.1423 0.1423 0.4866 0.4866 0.5667 0.5667 0.7672 0.7672 0.8770 0.8770 4.7945 4.7945 5.4112 5.4112 6.0676 6.0676 6.2188 6.2188 6.5266 6.5266 6.9012 6.9012 7.1924 7.1924 7.2024 7.2025 k = 0.0922 0.1597-0.0000 ( 7979 PWs) bands (ev): -37.5514 -37.5514 -35.5488 -35.5488 -35.5461 -35.5461 -18.7941 -18.7941 -18.4176 -18.4176 -18.4131 -18.4131 -16.8052 -16.8052 -16.7890 -16.7890 -16.4463 -16.4463 -16.4252 -16.4252 -16.3960 -16.3960 -16.3901 -16.3901 -11.4142 -11.4142 -11.3225 -11.3225 -0.7012 -0.7012 -0.1167 -0.1167 0.1667 0.1667 0.4912 0.4912 0.5823 0.5823 0.7806 0.7806 0.8877 0.8877 4.7763 4.7763 5.4285 5.4285 6.0516 6.0516 6.2373 6.2373 6.5280 6.5280 6.9082 6.9082 7.1556 7.1556 7.1701 7.1701 k = 0.0851 0.1474-0.0000 ( 7979 PWs) bands (ev): -37.5515 -37.5515 -35.5488 -35.5488 -35.5461 -35.5461 -18.7938 -18.7938 -18.4170 -18.4170 -18.4131 -18.4131 -16.8051 -16.8051 -16.7887 -16.7887 -16.4464 -16.4464 -16.4248 -16.4248 -16.3957 -16.3957 -16.3896 -16.3896 -11.4182 -11.4182 -11.3234 -11.3234 -0.7238 -0.7238 -0.1093 -0.1093 0.1909 0.1909 0.4944 0.4944 0.5981 0.5981 0.7931 0.7931 0.8987 0.8987 4.7595 4.7595 5.4336 5.4336 6.0494 6.0494 6.2539 6.2539 6.5305 6.5305 6.9137 6.9137 7.1199 7.1199 7.1391 7.1391 k = 0.0780 0.1351-0.0000 ( 7983 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7936 -18.7936 -18.4164 -18.4164 -18.4132 -18.4132 -16.8051 -16.8051 -16.7883 -16.7883 -16.4465 -16.4465 -16.4245 -16.4245 -16.3953 -16.3953 -16.3891 -16.3891 -11.4220 -11.4220 -11.3242 -11.3242 -0.7450 -0.7450 -0.1029 -0.1029 0.2148 0.2148 0.4964 0.4964 0.6139 0.6139 0.8042 0.8042 0.9104 0.9104 4.7441 4.7441 5.4270 5.4270 6.0603 6.0603 6.2689 6.2689 6.5340 6.5340 6.9178 6.9178 7.0859 7.0859 7.1091 7.1091 k = 0.0709 0.1228-0.0000 ( 7969 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7933 -18.7933 -18.4158 -18.4158 -18.4132 -18.4132 -16.8050 -16.8050 -16.7880 -16.7880 -16.4465 -16.4465 -16.4241 -16.4241 -16.3950 -16.3950 -16.3886 -16.3886 -11.4255 -11.4255 -11.3249 -11.3249 -0.7645 -0.7645 -0.0975 -0.0975 0.2382 0.2382 0.4973 0.4973 0.6292 0.6292 0.8139 0.8139 0.9227 0.9227 4.7301 4.7301 5.4108 5.4108 6.0821 6.0821 6.2823 6.2823 6.5385 6.5385 6.9203 6.9203 7.0542 7.0542 7.0799 7.0799 k = 0.0638 0.1106-0.0000 ( 7981 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7931 -18.7931 -18.4153 -18.4153 -18.4133 -18.4133 -16.8050 -16.8050 -16.7877 -16.7877 -16.4465 -16.4465 -16.4239 -16.4239 -16.3947 -16.3947 -16.3882 -16.3882 -11.4288 -11.4288 -11.3256 -11.3256 -0.7824 -0.7824 -0.0930 -0.0930 0.2609 0.2609 0.4970 0.4970 0.6438 0.6438 0.8221 0.8221 0.9354 0.9354 4.7175 4.7175 5.3881 5.3881 6.1116 6.1116 6.2941 6.2941 6.5439 6.5439 6.9212 6.9212 7.0250 7.0250 7.0517 7.0517 k = 0.0567 0.0983-0.0000 ( 7977 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7929 -18.7929 -18.4149 -18.4149 -18.4133 -18.4133 -16.8050 -16.8050 -16.7874 -16.7874 -16.4466 -16.4466 -16.4236 -16.4236 -16.3944 -16.3944 -16.3878 -16.3878 -11.4317 -11.4317 -11.3262 -11.3262 -0.7985 -0.7985 -0.0892 -0.0892 0.2827 0.2827 0.4958 0.4958 0.6574 0.6574 0.8289 0.8289 0.9484 0.9484 4.7063 4.7063 5.3617 5.3617 6.1458 6.1458 6.3046 6.3046 6.5500 6.5500 6.9206 6.9206 6.9985 6.9985 7.0245 7.0245 k = 0.0496 0.0860-0.0000 ( 7985 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7928 -18.7928 -18.4145 -18.4145 -18.4134 -18.4134 -16.8050 -16.8050 -16.7872 -16.7872 -16.4466 -16.4466 -16.4234 -16.4234 -16.3942 -16.3942 -16.3874 -16.3874 -11.4344 -11.4344 -11.3267 -11.3267 -0.8129 -0.8129 -0.0862 -0.0862 0.3034 0.3034 0.4935 0.4935 0.6699 0.6699 0.8342 0.8342 0.9613 0.9613 4.6965 4.6965 5.3342 5.3342 6.1819 6.1819 6.3138 6.3138 6.5568 6.5568 6.9185 6.9185 6.9750 6.9750 6.9986 6.9986 k = 0.0426 0.0737-0.0000 ( 7989 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7926 -18.7926 -18.4141 -18.4141 -18.4134 -18.4134 -16.8050 -16.8050 -16.7870 -16.7870 -16.4467 -16.4467 -16.4232 -16.4232 -16.3939 -16.3939 -16.3871 -16.3871 -11.4367 -11.4367 -11.3272 -11.3272 -0.8254 -0.8254 -0.0838 -0.0838 0.3229 0.3229 0.4904 0.4904 0.6809 0.6809 0.8382 0.8382 0.9737 0.9737 4.6880 4.6880 5.3073 5.3073 6.2176 6.2176 6.3217 6.3217 6.5640 6.5640 6.9149 6.9149 6.9546 6.9546 6.9744 6.9744 k = 0.0355 0.0614-0.0000 ( 7989 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7925 -18.7925 -18.4139 -18.4139 -18.4134 -18.4134 -16.8049 -16.8049 -16.7868 -16.7868 -16.4467 -16.4467 -16.4230 -16.4230 -16.3937 -16.3937 -16.3868 -16.3868 -11.4387 -11.4387 -11.3276 -11.3276 -0.8361 -0.8361 -0.0818 -0.0818 0.3409 0.3409 0.4864 0.4864 0.6905 0.6905 0.8413 0.8413 0.9852 0.9852 4.6809 4.6809 5.2826 5.2826 6.2512 6.2512 6.3285 6.3285 6.5713 6.5713 6.9099 6.9099 6.9374 6.9374 6.9529 6.9529 k = 0.0284 0.0491-0.0000 ( 7989 PWs) bands (ev): -37.5517 -37.5517 -35.5491 -35.5491 -35.5461 -35.5461 -18.7924 -18.7924 -18.4137 -18.4137 -18.4133 -18.4133 -16.8049 -16.8049 -16.7867 -16.7867 -16.4467 -16.4467 -16.4229 -16.4229 -16.3936 -16.3936 -16.3866 -16.3866 -11.4404 -11.4404 -11.3280 -11.3280 -0.8449 -0.8449 -0.0804 -0.0804 0.3572 0.3572 0.4818 0.4818 0.6986 0.6986 0.8434 0.8434 0.9952 0.9952 4.6751 4.6751 5.2611 5.2611 6.2810 6.2810 6.3343 6.3343 6.5785 6.5785 6.9036 6.9036 6.9227 6.9227 6.9353 6.9353 k = 0.0213 0.0369-0.0000 ( 7991 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7923 -18.7923 -18.4137 -18.4137 -18.4131 -18.4131 -16.8049 -16.8049 -16.7866 -16.7866 -16.4467 -16.4467 -16.4228 -16.4228 -16.3935 -16.3935 -16.3864 -16.3864 -11.4416 -11.4416 -11.3282 -11.3282 -0.8517 -0.8517 -0.0793 -0.0793 0.3713 0.3713 0.4769 0.4769 0.7049 0.7049 0.8449 0.8449 1.0034 1.0034 4.6706 4.6706 5.2435 5.2435 6.3052 6.3052 6.3394 6.3394 6.5850 6.5850 6.8967 6.8967 6.9095 6.9095 6.9235 6.9235 k = 0.0142 0.0246-0.0000 ( 7991 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7865 -16.7865 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3863 -16.3863 -11.4426 -11.4426 -11.3284 -11.3284 -0.8566 -0.8566 -0.0785 -0.0785 0.3826 0.3826 0.4722 0.4722 0.7095 0.7095 0.8458 0.8458 1.0095 1.0095 4.6674 4.6674 5.2306 5.2306 6.3222 6.3222 6.3443 6.3443 6.5903 6.5903 6.8903 6.8903 6.8987 6.8987 6.9165 6.9165 k = 0.0071 0.0123-0.0000 ( 7991 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4431 -11.4431 -11.3286 -11.3286 -0.8596 -0.8596 -0.0781 -0.0781 0.3902 0.3902 0.4686 0.4686 0.7123 0.7123 0.8463 0.8463 1.0133 1.0133 4.6655 4.6655 5.2227 5.2227 6.3310 6.3310 6.3491 6.3491 6.5938 6.5938 6.8855 6.8855 6.8921 6.8921 6.9128 6.9128 k = 0.0000 0.0000 0.0000 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8605 -0.8605 -0.0780 -0.0780 0.3929 0.3929 0.4672 0.4672 0.7132 0.7132 0.8464 0.8464 1.0146 1.0146 4.6649 4.6649 5.2201 5.2201 6.3334 6.3334 6.3512 6.3512 6.5950 6.5950 6.8836 6.8836 6.8900 6.8900 6.9116 6.9116 k = 0.0000 0.0000 0.0000 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8605 -0.8605 -0.0780 -0.0780 0.3929 0.3929 0.4672 0.4672 0.7132 0.7132 0.8464 0.8464 1.0146 1.0146 4.6649 4.6649 5.2201 5.2201 6.3334 6.3334 6.3512 6.3512 6.5950 6.5950 6.8836 6.8836 6.8900 6.8900 6.9116 6.9116 k = 0.0000 0.0000 0.0138 ( 7985 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8595 -0.8595 -0.0821 -0.0821 0.3952 0.3952 0.4674 0.4674 0.7132 0.7132 0.8478 0.8478 1.0146 1.0146 4.6535 4.6535 5.2330 5.2330 6.3329 6.3329 6.3506 6.3506 6.5937 6.5937 6.8842 6.8842 6.8905 6.8905 6.9123 6.9123 k = 0.0000 0.0000 0.0275 ( 7997 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8565 -0.8565 -0.0939 -0.0939 0.4016 0.4016 0.4683 0.4683 0.7132 0.7132 0.8518 0.8518 1.0147 1.0147 4.6225 4.6225 5.2689 5.2689 6.3312 6.3312 6.3487 6.3487 6.5899 6.5899 6.8856 6.8856 6.8920 6.8920 6.9143 6.9143 k = 0.0000 0.0000 0.0413 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4433 -11.4433 -11.3286 -11.3286 -0.8516 -0.8516 -0.1125 -0.1125 0.4108 0.4108 0.4699 0.4699 0.7131 0.7131 0.8584 0.8584 1.0148 1.0148 4.5782 4.5782 5.3212 5.3212 6.3284 6.3284 6.3456 6.3456 6.5836 6.5836 6.8880 6.8880 6.8944 6.8944 6.9176 6.9176 k = 0.0000 0.0000 0.0551 ( 8015 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4137 -18.4137 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4468 -16.4468 -16.4227 -16.4227 -16.3933 -16.3933 -16.3862 -16.3862 -11.4432 -11.4432 -11.3287 -11.3287 -0.8448 -0.8448 -0.1363 -0.1363 0.4211 0.4211 0.4727 0.4727 0.7130 0.7130 0.8674 0.8674 1.0149 1.0149 4.5267 4.5267 5.3840 5.3840 6.3248 6.3248 6.3417 6.3417 6.5749 6.5749 6.8911 6.8911 6.8975 6.8975 6.9220 6.9220 k = 0.0000 0.0000 0.0688 ( 8003 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3933 -16.3933 -16.3862 -16.3862 -11.4432 -11.4432 -11.3287 -11.3287 -0.8361 -0.8361 -0.1639 -0.1639 0.4306 0.4306 0.4772 0.4772 0.7128 0.7128 0.8785 0.8785 1.0151 1.0151 4.4723 4.4723 5.4526 5.4526 6.3206 6.3206 6.3369 6.3369 6.5640 6.5640 6.8948 6.8948 6.9013 6.9013 6.9271 6.9271 k = 0.0000 0.0000 0.0826 ( 7979 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4431 -11.4431 -11.3288 -11.3288 -0.8258 -0.8258 -0.1940 -0.1940 0.4380 0.4380 0.4837 0.4837 0.7127 0.7127 0.8915 0.8915 1.0153 1.0153 4.4179 4.4179 5.5242 5.5242 6.3158 6.3158 6.3317 6.3317 6.5509 6.5509 6.8988 6.8988 6.9054 6.9054 6.9328 6.9328 k = 0.0000 0.0000 0.0963 ( 7979 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4431 -11.4431 -11.3288 -11.3288 -0.8141 -0.8141 -0.2254 -0.2254 0.4429 0.4429 0.4918 0.4918 0.7125 0.7125 0.9057 0.9057 1.0155 1.0155 4.3654 4.3654 5.5965 5.5965 6.3109 6.3109 6.3261 6.3261 6.5358 6.5358 6.9030 6.9030 6.9097 6.9097 6.9388 6.9388 k = 0.0000 0.0000 0.1101 ( 7973 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4430 -11.4430 -11.3289 -11.3289 -0.8011 -0.8011 -0.2571 -0.2571 0.4460 0.4460 0.5005 0.5005 0.7124 0.7124 0.9206 0.9206 1.0157 1.0157 4.3164 4.3164 5.6678 5.6678 6.3059 6.3059 6.3206 6.3206 6.5189 6.5189 6.9072 6.9072 6.9140 6.9140 6.9447 6.9447 k = 0.0000 0.0000 0.1239 ( 7967 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4430 -11.4430 -11.3289 -11.3289 -0.7873 -0.7873 -0.2880 -0.2880 0.4478 0.4478 0.5088 0.5088 0.7122 0.7122 0.9355 0.9355 1.0160 1.0160 4.2719 4.2719 5.7365 5.7365 6.3011 6.3011 6.3153 6.3153 6.5003 6.5003 6.9111 6.9111 6.9181 6.9181 6.9504 6.9504 k = 0.0000 0.0000 0.1376 ( 7967 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4466 -16.4466 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4429 -11.4429 -11.3290 -11.3290 -0.7731 -0.7731 -0.3174 -0.3174 0.4489 0.4489 0.5161 0.5161 0.7121 0.7121 0.9496 0.9496 1.0162 1.0162 4.2328 4.2328 5.8010 5.8010 6.2967 6.2967 6.3105 6.3105 6.4804 6.4804 6.9147 6.9147 6.9219 6.9219 6.9557 6.9557 k = 0.0000 0.0000 0.1514 ( 7955 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7921 -18.7921 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4466 -16.4466 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4429 -11.4429 -11.3290 -11.3290 -0.7593 -0.7593 -0.3440 -0.3440 0.4496 0.4496 0.5221 0.5221 0.7119 0.7119 0.9623 0.9623 1.0163 1.0163 4.1998 4.1998 5.8596 5.8596 6.2928 6.2928 6.3063 6.3063 6.4601 6.4601 6.9179 6.9179 6.9251 6.9251 6.9602 6.9602 k = 0.0000 0.0000 0.1652 ( 7973 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4226 -16.4226 -16.3933 -16.3933 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7466 -0.7466 -0.3669 -0.3669 0.4501 0.4501 0.5269 0.5269 0.7118 0.7118 0.9728 0.9728 1.0165 1.0165 4.1735 4.1735 5.9101 5.9101 6.2897 6.2897 6.3028 6.3028 6.4404 6.4404 6.9204 6.9204 6.9277 6.9277 6.9639 6.9639 k = 0.0000 0.0000 0.1789 ( 7991 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3933 -16.3933 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7362 -0.7362 -0.3847 -0.3847 0.4503 0.4503 0.5302 0.5302 0.7118 0.7118 0.9808 0.9808 1.0166 1.0166 4.1544 4.1544 5.9499 5.9499 6.2874 6.2874 6.3003 6.3003 6.4232 6.4232 6.9223 6.9223 6.9297 6.9297 6.9666 6.9666 k = 0.0000 0.0000 0.1927 ( 7990 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8048 -16.8048 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3933 -16.3933 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7293 -0.7293 -0.3961 -0.3961 0.4504 0.4504 0.5322 0.5322 0.7117 0.7117 0.9858 0.9858 1.0166 1.0166 4.1428 4.1428 5.9757 5.9757 6.2860 6.2860 6.2987 6.2987 6.4112 6.4112 6.9234 6.9234 6.9309 6.9309 6.9683 6.9683 k = 0.0000 0.0000 0.2064 ( 8002 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7269 -0.7269 -0.4000 -0.4000 0.4505 0.4505 0.5329 0.5329 0.7117 0.7117 0.9874 0.9874 1.0167 1.0167 4.1389 4.1389 5.9847 5.9847 6.2855 6.2855 6.2982 6.2982 6.4069 6.4069 6.9238 6.9238 6.9312 6.9312 6.9689 6.9689 k = 0.0000 0.0000 0.2064 ( 8002 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7269 -0.7269 -0.4000 -0.4000 0.4505 0.4505 0.5329 0.5329 0.7117 0.7117 0.9874 0.9874 1.0167 1.0167 4.1389 4.1389 5.9847 5.9847 6.2855 6.2855 6.2982 6.2982 6.4069 6.4069 6.9238 6.9238 6.9312 6.9312 6.9689 6.9689 k = 0.0125 0.0072 0.2064 ( 7990 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3862 -16.3862 -11.4426 -11.4426 -11.3291 -11.3291 -0.7261 -0.7261 -0.3995 -0.3995 0.4495 0.4495 0.5322 0.5322 0.7109 0.7109 0.9868 0.9868 1.0150 1.0150 4.1419 4.1419 5.9865 5.9865 6.2821 6.2821 6.2958 6.2958 6.4097 6.4097 6.9239 6.9239 6.9315 6.9315 6.9682 6.9682 k = 0.0250 0.0144 0.2064 ( 7990 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7865 -16.7865 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3863 -16.3863 -11.4420 -11.4420 -11.3290 -11.3290 -0.7239 -0.7239 -0.3979 -0.3979 0.4465 0.4465 0.5301 0.5301 0.7087 0.7087 0.9846 0.9846 1.0103 1.0103 4.1508 4.1508 5.9919 5.9919 6.2686 6.2686 6.2927 6.2927 6.4173 6.4173 6.9229 6.9229 6.9332 6.9332 6.9666 6.9666 k = 0.0375 0.0217 0.2064 ( 7986 PWs) bands (ev): -37.5517 -37.5517 -35.5491 -35.5491 -35.5461 -35.5461 -18.7923 -18.7923 -18.4136 -18.4136 -18.4132 -18.4132 -16.8049 -16.8049 -16.7866 -16.7866 -16.4467 -16.4467 -16.4228 -16.4228 -16.3935 -16.3935 -16.3864 -16.3864 -11.4411 -11.4411 -11.3288 -11.3288 -0.7201 -0.7201 -0.3952 -0.3952 0.4415 0.4415 0.5266 0.5266 0.7051 0.7051 0.9802 0.9802 1.0035 1.0035 4.1655 4.1655 6.0008 6.0008 6.2454 6.2454 6.2909 6.2909 6.4276 6.4276 6.9188 6.9188 6.9373 6.9373 6.9649 6.9649 k = 0.0500 0.0289 0.2064 ( 7980 PWs) bands (ev): -37.5517 -37.5517 -35.5491 -35.5491 -35.5461 -35.5461 -18.7924 -18.7924 -18.4137 -18.4137 -18.4133 -18.4133 -16.8049 -16.8049 -16.7867 -16.7867 -16.4466 -16.4466 -16.4229 -16.4229 -16.3936 -16.3936 -16.3866 -16.3866 -11.4397 -11.4397 -11.3285 -11.3285 -0.7148 -0.7148 -0.3915 -0.3915 0.4343 0.4343 0.5219 0.5219 0.7000 0.7000 0.9719 0.9719 0.9965 0.9965 4.1856 4.1856 6.0131 6.0131 6.2148 6.2148 6.2891 6.2891 6.4393 6.4393 6.9110 6.9110 6.9434 6.9434 6.9646 6.9646 k = 0.0625 0.0361 0.2064 ( 7982 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7925 -18.7925 -18.4139 -18.4139 -18.4133 -18.4133 -16.8049 -16.8049 -16.7869 -16.7869 -16.4466 -16.4466 -16.4231 -16.4231 -16.3938 -16.3938 -16.3869 -16.3869 -11.4380 -11.4380 -11.3281 -11.3281 -0.7081 -0.7081 -0.3869 -0.3869 0.4251 0.4251 0.5159 0.5159 0.6936 0.6936 0.9589 0.9589 0.9905 0.9905 4.2110 4.2110 6.0285 6.0285 6.1780 6.1780 6.2871 6.2871 6.4520 6.4520 6.8992 6.8992 6.9499 6.9499 6.9670 6.9670 k = 0.0750 0.0433 0.2064 ( 7974 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7926 -18.7926 -18.4142 -18.4142 -18.4133 -18.4133 -16.8049 -16.8049 -16.7870 -16.7870 -16.4466 -16.4466 -16.4232 -16.4232 -16.3940 -16.3940 -16.3871 -16.3871 -11.4360 -11.4360 -11.3277 -11.3277 -0.6999 -0.6999 -0.3812 -0.3812 0.4136 0.4136 0.5087 0.5087 0.6859 0.6859 0.9419 0.9419 0.9852 0.9852 4.2411 4.2411 6.0464 6.0464 6.1361 6.1361 6.2846 6.2846 6.4651 6.4651 6.8842 6.8842 6.9549 6.9549 6.9743 6.9743 k = 0.0875 0.0505 0.2064 ( 7974 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7928 -18.7928 -18.4145 -18.4145 -18.4133 -18.4133 -16.8049 -16.8049 -16.7873 -16.7873 -16.4465 -16.4465 -16.4234 -16.4234 -16.3942 -16.3942 -16.3875 -16.3875 -11.4336 -11.4336 -11.3272 -11.3272 -0.6904 -0.6904 -0.3747 -0.3747 0.4000 0.4000 0.5003 0.5003 0.6771 0.6771 0.9222 0.9222 0.9800 0.9800 4.2754 4.2754 6.0613 6.0613 6.0945 6.0945 6.2817 6.2817 6.4785 6.4785 6.8670 6.8670 6.9583 6.9583 6.9861 6.9861 k = 0.1000 0.0577 0.2064 ( 7972 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7930 -18.7930 -18.4149 -18.4149 -18.4133 -18.4133 -16.8049 -16.8049 -16.7875 -16.7875 -16.4465 -16.4465 -16.4237 -16.4237 -16.3944 -16.3944 -16.3879 -16.3879 -11.4309 -11.4309 -11.3266 -11.3266 -0.6795 -0.6795 -0.3674 -0.3674 0.3843 0.3843 0.4907 0.4907 0.6672 0.6672 0.9007 0.9007 0.9745 0.9745 4.3136 4.3136 6.0281 6.0281 6.0985 6.0985 6.2783 6.2783 6.4915 6.4915 6.8489 6.8489 6.9612 6.9612 7.0011 7.0011 k = 0.1125 0.0650 0.2064 ( 7956 PWs) bands (ev): -37.5515 -37.5515 -35.5490 -35.5490 -35.5461 -35.5461 -18.7931 -18.7931 -18.4154 -18.4154 -18.4132 -18.4132 -16.8050 -16.8050 -16.7878 -16.7878 -16.4464 -16.4464 -16.4239 -16.4239 -16.3947 -16.3947 -16.3882 -16.3882 -11.4278 -11.4278 -11.3259 -11.3259 -0.6674 -0.6674 -0.3595 -0.3595 0.3665 0.3665 0.4797 0.4797 0.6566 0.6566 0.8781 0.8781 0.9683 0.9683 4.3552 4.3552 5.9717 5.9717 6.1232 6.1232 6.2744 6.2744 6.5035 6.5035 6.8317 6.8317 6.9645 6.9645 7.0186 7.0186 k = 0.1250 0.0722 0.2064 ( 7948 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7934 -18.7934 -18.4159 -18.4159 -18.4132 -18.4132 -16.8050 -16.8050 -16.7881 -16.7881 -16.4464 -16.4464 -16.4242 -16.4242 -16.3950 -16.3950 -16.3887 -16.3887 -11.4245 -11.4245 -11.3252 -11.3252 -0.6542 -0.6542 -0.3509 -0.3509 0.3468 0.3468 0.4674 0.4674 0.6454 0.6454 0.8551 0.8551 0.9615 0.9615 4.3995 4.3995 5.9098 5.9098 6.1509 6.1509 6.2699 6.2699 6.5130 6.5130 6.8177 6.8177 6.9684 6.9684 7.0382 7.0382 k = 0.1375 0.0794 0.2064 ( 7960 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7936 -18.7936 -18.4165 -18.4165 -18.4131 -18.4131 -16.8050 -16.8050 -16.7884 -16.7884 -16.4464 -16.4464 -16.4246 -16.4246 -16.3954 -16.3954 -16.3892 -16.3892 -11.4209 -11.4209 -11.3244 -11.3244 -0.6398 -0.6398 -0.3418 -0.3418 0.3251 0.3251 0.4537 0.4537 0.6340 0.6340 0.8321 0.8321 0.9540 0.9540 4.4461 4.4461 5.8438 5.8438 6.1801 6.1801 6.2649 6.2649 6.5184 6.5184 6.8093 6.8093 6.9732 6.9732 7.0597 7.0597 k = 0.1500 0.0866 0.2064 ( 7962 PWs) bands (ev): -37.5514 -37.5514 -35.5488 -35.5488 -35.5461 -35.5461 -18.7939 -18.7939 -18.4171 -18.4171 -18.4130 -18.4130 -16.8051 -16.8051 -16.7888 -16.7888 -16.4463 -16.4463 -16.4249 -16.4249 -16.3957 -16.3957 -16.3897 -16.3897 -11.4170 -11.4170 -11.3236 -11.3236 -0.6245 -0.6245 -0.3325 -0.3325 0.3018 0.3018 0.4387 0.4387 0.6226 0.6226 0.8096 0.8096 0.9458 0.9458 4.4945 4.4945 5.7747 5.7747 6.2099 6.2099 6.2596 6.2596 6.5180 6.5180 6.8090 6.8090 6.9794 6.9794 7.0831 7.0831 k = 0.1625 0.0938 0.2064 ( 7958 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5461 -35.5461 -18.7941 -18.7941 -18.4178 -18.4178 -18.4130 -18.4130 -16.8051 -16.8051 -16.7891 -16.7891 -16.4462 -16.4462 -16.4253 -16.4253 -16.3961 -16.3961 -16.3902 -16.3902 -11.4129 -11.4129 -11.3227 -11.3227 -0.6083 -0.6083 -0.3230 -0.3230 0.2769 0.2769 0.4225 0.4225 0.6114 0.6114 0.7877 0.7877 0.9368 0.9368 4.5443 4.5443 5.7028 5.7028 6.2386 6.2386 6.2548 6.2548 6.5112 6.5112 6.8181 6.8181 6.9873 6.9873 7.1081 7.1081 k = 0.1750 0.1010 0.2064 ( 7966 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5460 -35.5460 -18.7945 -18.7945 -18.4185 -18.4185 -18.4129 -18.4129 -16.8052 -16.8052 -16.7895 -16.7895 -16.4462 -16.4462 -16.4257 -16.4257 -16.3965 -16.3965 -16.3908 -16.3908 -11.4086 -11.4086 -11.3218 -11.3218 -0.5914 -0.5914 -0.3135 -0.3135 0.2507 0.2507 0.4056 0.4056 0.6007 0.6007 0.7667 0.7667 0.9272 0.9272 4.5950 4.5950 5.6289 5.6289 6.2451 6.2451 6.2708 6.2708 6.4990 6.4990 6.8362 6.8362 6.9973 6.9973 7.1346 7.1346 k = 0.1875 0.1083 0.2064 ( 7966 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7948 -18.7948 -18.4192 -18.4192 -18.4128 -18.4128 -16.8052 -16.8052 -16.7900 -16.7900 -16.4461 -16.4461 -16.4261 -16.4261 -16.3969 -16.3969 -16.3913 -16.3913 -11.4041 -11.4041 -11.3209 -11.3209 -0.5739 -0.5739 -0.3044 -0.3044 0.2234 0.2234 0.3883 0.3883 0.5906 0.5906 0.7465 0.7465 0.9169 0.9169 4.6462 4.6462 5.5534 5.5534 6.2387 6.2387 6.2971 6.2971 6.4837 6.4837 6.8620 6.8620 7.0098 7.0098 7.1626 7.1626 k = 0.2000 0.1155 0.2064 ( 7968 PWs) bands (ev): -37.5513 -37.5513 -35.5485 -35.5485 -35.5460 -35.5460 -18.7951 -18.7951 -18.4199 -18.4199 -18.4127 -18.4127 -16.8053 -16.8053 -16.7904 -16.7904 -16.4460 -16.4460 -16.4266 -16.4266 -16.3974 -16.3974 -16.3919 -16.3919 -11.3995 -11.3995 -11.3199 -11.3199 -0.5560 -0.5560 -0.2959 -0.2959 0.1956 0.1956 0.3711 0.3711 0.5811 0.5811 0.7272 0.7272 0.9059 0.9059 4.6974 4.6974 5.4769 5.4769 6.2314 6.2314 6.3197 6.3197 6.4688 6.4688 6.8932 6.8932 7.0255 7.0255 7.1918 7.1918 k = 0.2125 0.1227 0.2064 ( 7972 PWs) bands (ev): -37.5512 -37.5512 -35.5485 -35.5485 -35.5460 -35.5460 -18.7954 -18.7954 -18.4207 -18.4207 -18.4126 -18.4126 -16.8053 -16.8053 -16.7909 -16.7909 -16.4460 -16.4460 -16.4271 -16.4271 -16.3978 -16.3978 -16.3925 -16.3925 -11.3947 -11.3947 -11.3189 -11.3189 -0.5381 -0.5381 -0.2884 -0.2884 0.1677 0.1677 0.3544 0.3544 0.5721 0.5721 0.7089 0.7089 0.8944 0.8944 4.7483 4.7483 5.3998 5.3998 6.2236 6.2236 6.3345 6.3345 6.4591 6.4591 6.9275 6.9275 7.0451 7.0451 7.2221 7.2221 k = 0.2250 0.1299 0.2064 ( 7962 PWs) bands (ev): -37.5512 -37.5512 -35.5484 -35.5484 -35.5460 -35.5460 -18.7957 -18.7957 -18.4214 -18.4214 -18.4125 -18.4125 -16.8053 -16.8053 -16.7913 -16.7913 -16.4459 -16.4459 -16.4275 -16.4275 -16.3983 -16.3983 -16.3931 -16.3931 -11.3898 -11.3898 -11.3179 -11.3179 -0.5201 -0.5201 -0.2821 -0.2821 0.1403 0.1403 0.3387 0.3387 0.5636 0.5636 0.6914 0.6914 0.8823 0.8823 4.7984 4.7984 5.3227 5.3227 6.2155 6.2155 6.3373 6.3373 6.4601 6.4601 6.9625 6.9625 7.0697 7.0697 7.2535 7.2535 k = 0.2375 0.1371 0.2064 ( 7962 PWs) bands (ev): -37.5512 -37.5512 -35.5483 -35.5483 -35.5460 -35.5460 -18.7961 -18.7961 -18.4222 -18.4222 -18.4124 -18.4124 -16.8054 -16.8054 -16.7918 -16.7918 -16.4458 -16.4458 -16.4281 -16.4281 -16.3987 -16.3987 -16.3937 -16.3937 -11.3849 -11.3849 -11.3168 -11.3168 -0.5026 -0.5026 -0.2776 -0.2776 0.1142 0.1142 0.3244 0.3244 0.5556 0.5556 0.6747 0.6747 0.8698 0.8698 4.8472 4.8472 5.2461 5.2461 6.2071 6.2071 6.3283 6.3283 6.4722 6.4722 6.9959 6.9959 7.1001 7.1001 7.2856 7.2856 k = 0.2500 0.1443 0.2064 ( 7962 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7964 -18.7964 -18.4230 -18.4230 -18.4123 -18.4123 -16.8054 -16.8054 -16.7923 -16.7923 -16.4456 -16.4456 -16.4286 -16.4286 -16.3992 -16.3992 -16.3942 -16.3942 -11.3799 -11.3799 -11.3158 -11.3158 -0.4858 -0.4858 -0.2753 -0.2753 0.0901 0.0901 0.3119 0.3119 0.5478 0.5478 0.6590 0.6590 0.8569 0.8569 4.8939 4.8939 5.1709 5.1709 6.1986 6.1986 6.3126 6.3126 6.4913 6.4913 7.0265 7.0265 7.1358 7.1358 7.3185 7.3185 k = 0.2625 0.1516 0.2064 ( 7962 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7968 -18.7968 -18.4237 -18.4237 -18.4122 -18.4122 -16.8054 -16.8054 -16.7928 -16.7928 -16.4455 -16.4455 -16.4291 -16.4291 -16.3997 -16.3997 -16.3948 -16.3948 -11.3749 -11.3749 -11.3147 -11.3147 -0.4700 -0.4700 -0.2755 -0.2755 0.0688 0.0688 0.3013 0.3013 0.5402 0.5402 0.6443 0.6443 0.8436 0.8436 4.9364 4.9364 5.0991 5.0991 6.1900 6.1900 6.2943 6.2943 6.5139 6.5139 7.0543 7.0543 7.1751 7.1751 7.3518 7.3518 k = 0.2750 0.1588 0.2064 ( 7954 PWs) bands (ev): -37.5510 -37.5510 -35.5481 -35.5481 -35.5460 -35.5460 -18.7971 -18.7971 -18.4245 -18.4245 -18.4121 -18.4121 -16.8054 -16.8054 -16.7933 -16.7933 -16.4454 -16.4454 -16.4297 -16.4297 -16.4001 -16.4001 -16.3953 -16.3953 -11.3700 -11.3700 -11.3137 -11.3137 -0.4557 -0.4557 -0.2785 -0.2785 0.0510 0.0510 0.2929 0.2929 0.5327 0.5327 0.6306 0.6306 0.8301 0.8301 4.9621 4.9621 5.0435 5.0435 6.1813 6.1813 6.2758 6.2758 6.5382 6.5382 7.0800 7.0800 7.2154 7.2154 7.3855 7.3855 k = 0.2875 0.1660 0.2064 ( 7942 PWs) bands (ev): -37.5510 -37.5510 -35.5480 -35.5480 -35.5460 -35.5460 -18.7974 -18.7974 -18.4252 -18.4252 -18.4120 -18.4120 -16.8054 -16.8054 -16.7938 -16.7938 -16.4453 -16.4453 -16.4302 -16.4302 -16.4006 -16.4006 -16.3959 -16.3959 -11.3650 -11.3650 -11.3127 -11.3127 -0.4434 -0.4434 -0.2843 -0.2843 0.0372 0.0372 0.2868 0.2868 0.5249 0.5249 0.6181 0.6181 0.8163 0.8163 4.9269 4.9269 5.0482 5.0482 6.1727 6.1727 6.2584 6.2584 6.5636 6.5636 7.1037 7.1037 7.2542 7.2542 7.4194 7.4194 k = 0.3000 0.1732 0.2064 ( 7934 PWs) bands (ev): -37.5509 -37.5509 -35.5479 -35.5479 -35.5460 -35.5460 -18.7978 -18.7978 -18.4260 -18.4260 -18.4119 -18.4119 -16.8054 -16.8054 -16.7943 -16.7943 -16.4451 -16.4451 -16.4308 -16.4308 -16.4010 -16.4010 -16.3964 -16.3964 -11.3602 -11.3602 -11.3117 -11.3117 -0.4337 -0.4337 -0.2924 -0.2924 0.0278 0.0278 0.2829 0.2829 0.5169 0.5169 0.6070 0.6070 0.8025 0.8025 4.8625 4.8625 5.0814 5.0814 6.1642 6.1642 6.2427 6.2427 6.5898 6.5898 7.1252 7.1252 7.2894 7.2894 7.4532 7.4532 k = 0.3125 0.1804 0.2064 ( 7928 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7981 -18.7981 -18.4267 -18.4267 -18.4118 -18.4118 -16.8054 -16.8054 -16.7948 -16.7948 -16.4449 -16.4449 -16.4313 -16.4313 -16.4015 -16.4015 -16.3968 -16.3968 -11.3555 -11.3555 -11.3107 -11.3107 -0.4273 -0.4273 -0.3018 -0.3018 0.0225 0.0225 0.2813 0.2813 0.5083 0.5083 0.5974 0.5974 0.7885 0.7885 4.7958 4.7958 5.1164 5.1164 6.1558 6.1558 6.2291 6.2291 6.6168 6.6168 7.1439 7.1439 7.3197 7.3197 7.4868 7.4868 k = 0.3250 0.1876 0.2064 ( 7932 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7984 -18.7984 -18.4274 -18.4274 -18.4117 -18.4117 -16.8054 -16.8054 -16.7953 -16.7953 -16.4448 -16.4448 -16.4319 -16.4319 -16.4019 -16.4019 -16.3973 -16.3973 -11.3509 -11.3509 -11.3098 -11.3098 -0.4250 -0.4250 -0.3113 -0.3113 0.0211 0.0211 0.2818 0.2818 0.4992 0.4992 0.5894 0.5894 0.7746 0.7746 4.7303 4.7303 5.1496 5.1496 6.1476 6.1476 6.2180 6.2180 6.6444 6.6444 7.1589 7.1589 7.3451 7.3451 7.5200 7.5200 k = 0.3375 0.1949 0.2064 ( 7936 PWs) bands (ev): -37.5508 -37.5508 -35.5477 -35.5477 -35.5460 -35.5460 -18.7987 -18.7987 -18.4280 -18.4280 -18.4116 -18.4116 -16.8054 -16.8054 -16.7958 -16.7958 -16.4446 -16.4446 -16.4325 -16.4325 -16.4023 -16.4023 -16.3977 -16.3977 -11.3465 -11.3465 -11.3089 -11.3089 -0.4272 -0.4272 -0.3197 -0.3197 0.0230 0.0230 0.2841 0.2841 0.4895 0.4895 0.5832 0.5832 0.7608 0.7608 4.6672 4.6672 5.1801 5.1801 6.1398 6.1398 6.2093 6.2093 6.6726 6.6726 7.1693 7.1693 7.3666 7.3666 7.5525 7.5525 k = 0.3500 0.2021 0.2064 ( 7940 PWs) bands (ev): -37.5508 -37.5508 -35.5476 -35.5476 -35.5460 -35.5460 -18.7990 -18.7990 -18.4287 -18.4287 -18.4116 -18.4116 -16.8054 -16.8054 -16.7963 -16.7963 -16.4444 -16.4444 -16.4330 -16.4330 -16.4028 -16.4028 -16.3981 -16.3981 -11.3423 -11.3423 -11.3081 -11.3081 -0.4340 -0.4340 -0.3262 -0.3262 0.0277 0.0277 0.2879 0.2879 0.4793 0.4793 0.5785 0.5785 0.7472 0.7472 4.6069 4.6069 5.2075 5.2075 6.1323 6.1323 6.2032 6.2032 6.7009 6.7009 7.1752 7.1752 7.3861 7.3861 7.5842 7.5842 k = 0.3625 0.2093 0.2064 ( 7938 PWs) bands (ev): -37.5508 -37.5508 -35.5475 -35.5475 -35.5460 -35.5460 -18.7993 -18.7993 -18.4293 -18.4293 -18.4115 -18.4115 -16.8053 -16.8053 -16.7968 -16.7968 -16.4442 -16.4442 -16.4336 -16.4336 -16.4032 -16.4032 -16.3985 -16.3985 -11.3383 -11.3383 -11.3073 -11.3073 -0.4445 -0.4445 -0.3309 -0.3309 0.0347 0.0347 0.2930 0.2930 0.4687 0.4687 0.5755 0.5755 0.7338 0.7338 4.5500 4.5500 5.2318 5.2318 6.1252 6.1252 6.1996 6.1996 6.7290 6.7290 7.1775 7.1775 7.4051 7.4051 7.6148 7.6148 k = 0.3750 0.2165 0.2064 ( 7940 PWs) bands (ev): -37.5507 -37.5507 -35.5475 -35.5475 -35.5460 -35.5460 -18.7996 -18.7996 -18.4298 -18.4298 -18.4114 -18.4114 -16.8053 -16.8053 -16.7972 -16.7972 -16.4441 -16.4441 -16.4341 -16.4341 -16.4035 -16.4035 -16.3989 -16.3989 -11.3346 -11.3346 -11.3066 -11.3066 -0.4574 -0.4574 -0.3343 -0.3343 0.0433 0.0433 0.2990 0.2990 0.4578 0.4578 0.5739 0.5739 0.7206 0.7206 4.4967 4.4967 5.2530 5.2530 6.1185 6.1185 6.1981 6.1981 6.7561 6.7561 7.1783 7.1783 7.4240 7.4240 7.6440 7.6440 k = 0.3875 0.2237 0.2064 ( 7950 PWs) bands (ev): -37.5507 -37.5507 -35.5474 -35.5474 -35.5460 -35.5460 -18.7998 -18.7998 -18.4304 -18.4304 -18.4113 -18.4113 -16.8053 -16.8053 -16.7977 -16.7977 -16.4439 -16.4439 -16.4347 -16.4347 -16.4039 -16.4039 -16.3992 -16.3992 -11.3311 -11.3311 -11.3059 -11.3059 -0.4714 -0.4714 -0.3371 -0.3371 0.0531 0.0531 0.3057 0.3057 0.4469 0.4469 0.5736 0.5736 0.7079 0.7079 4.4474 4.4474 5.2711 5.2711 6.1124 6.1124 6.1986 6.1986 6.7812 6.7812 7.1797 7.1797 7.4425 7.4425 7.6716 7.6716 k = 0.4000 0.2309 0.2064 ( 7942 PWs) bands (ev): -37.5507 -37.5507 -35.5473 -35.5473 -35.5460 -35.5460 -18.8000 -18.8000 -18.4308 -18.4308 -18.4113 -18.4113 -16.8052 -16.8052 -16.7981 -16.7981 -16.4436 -16.4436 -16.4352 -16.4352 -16.4042 -16.4042 -16.3994 -16.3994 -11.3280 -11.3280 -11.3053 -11.3053 -0.4856 -0.4856 -0.3396 -0.3396 0.0636 0.0636 0.3126 0.3126 0.4360 0.4360 0.5745 0.5745 0.6956 0.6956 4.4023 4.4023 5.2863 5.2863 6.1068 6.1068 6.2008 6.2008 6.8033 6.8033 7.1843 7.1843 7.4597 7.4597 7.6973 7.6973 k = 0.4125 0.2382 0.2064 ( 7954 PWs) bands (ev): -37.5506 -37.5506 -35.5473 -35.5473 -35.5460 -35.5460 -18.8003 -18.8003 -18.4312 -18.4312 -18.4112 -18.4112 -16.8051 -16.8051 -16.7984 -16.7984 -16.4434 -16.4434 -16.4356 -16.4356 -16.4045 -16.4045 -16.3997 -16.3997 -11.3251 -11.3251 -11.3048 -11.3048 -0.4992 -0.4992 -0.3419 -0.3419 0.0743 0.0743 0.3197 0.3197 0.4253 0.4253 0.5765 0.5765 0.6838 0.6838 4.3618 4.3618 5.2989 5.2989 6.1017 6.1017 6.2041 6.2041 6.8214 6.8214 7.1939 7.1939 7.4745 7.4745 7.7208 7.7210 k = 0.4250 0.2454 0.2064 ( 7960 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8004 -18.8004 -18.4316 -18.4316 -18.4112 -18.4112 -16.8050 -16.8050 -16.7988 -16.7988 -16.4432 -16.4432 -16.4361 -16.4361 -16.4047 -16.4047 -16.3999 -16.3999 -11.3226 -11.3226 -11.3044 -11.3044 -0.5116 -0.5116 -0.3440 -0.3440 0.0847 0.0847 0.3266 0.3266 0.4150 0.4150 0.5794 0.5794 0.6725 0.6725 4.3261 4.3261 5.3090 5.3090 6.0973 6.0973 6.2082 6.2082 6.8349 6.8349 7.2097 7.2097 7.4854 7.4854 7.7416 7.7458 k = 0.4375 0.2526 0.2064 ( 7970 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8006 -18.8006 -18.4319 -18.4319 -18.4111 -18.4111 -16.8050 -16.8050 -16.7991 -16.7991 -16.4430 -16.4430 -16.4365 -16.4365 -16.4049 -16.4049 -16.4001 -16.4001 -11.3204 -11.3204 -11.3040 -11.3040 -0.5226 -0.5226 -0.3461 -0.3461 0.0945 0.0945 0.3333 0.3333 0.4052 0.4052 0.5832 0.5832 0.6618 0.6618 4.2954 4.2954 5.3171 5.3171 6.0935 6.0935 6.2126 6.2126 6.8439 6.8439 7.2319 7.2319 7.4910 7.4910 7.7460 7.7463 k = 0.4500 0.2598 0.2064 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5460 -35.5460 -18.8007 -18.8007 -18.4322 -18.4322 -18.4111 -18.4111 -16.8049 -16.8049 -16.7994 -16.7994 -16.4428 -16.4428 -16.4369 -16.4369 -16.4051 -16.4051 -16.4002 -16.4002 -11.3186 -11.3186 -11.3037 -11.3037 -0.5319 -0.5319 -0.3479 -0.3479 0.1032 0.1032 0.3397 0.3397 0.3959 0.3959 0.5877 0.5877 0.6518 0.6518 4.2700 4.2700 5.3233 5.3233 6.0904 6.0904 6.2169 6.2169 6.8492 6.8492 7.2597 7.2597 7.4895 7.4895 7.7312 7.7312 k = 0.4625 0.2670 0.2064 ( 7958 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8008 -18.8008 -18.4324 -18.4324 -18.4111 -18.4111 -16.8049 -16.8049 -16.7996 -16.7996 -16.4427 -16.4427 -16.4372 -16.4372 -16.4053 -16.4053 -16.4003 -16.4003 -11.3171 -11.3171 -11.3035 -11.3035 -0.5393 -0.5393 -0.3494 -0.3494 0.1105 0.1105 0.3458 0.3458 0.3874 0.3874 0.5928 0.5928 0.6425 0.6425 4.2501 4.2501 5.3279 5.3279 6.0879 6.0879 6.2206 6.2206 6.8519 6.8519 7.2917 7.2917 7.4797 7.4797 7.7179 7.7179 k = 0.4750 0.2742 0.2064 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4325 -18.4325 -18.4111 -18.4111 -16.8048 -16.8048 -16.7997 -16.7997 -16.4425 -16.4425 -16.4374 -16.4374 -16.4054 -16.4054 -16.4004 -16.4004 -11.3161 -11.3161 -11.3033 -11.3033 -0.5447 -0.5447 -0.3505 -0.3505 0.1160 0.1160 0.3516 0.3516 0.3797 0.3797 0.5982 0.5982 0.6341 0.6341 4.2357 4.2357 5.3310 5.3310 6.0861 6.0861 6.2236 6.2236 6.8529 6.8529 7.3260 7.3260 7.4616 7.4616 7.7084 7.7084 k = 0.4875 0.2815 0.2064 ( 7974 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4326 -18.4326 -18.4110 -18.4110 -16.8048 -16.8048 -16.7998 -16.7998 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3154 -11.3154 -11.3032 -11.3032 -0.5479 -0.5479 -0.3512 -0.3512 0.1194 0.1194 0.3570 0.3570 0.3731 0.3731 0.6032 0.6032 0.6273 0.6273 4.2271 4.2271 5.3328 5.3328 6.0851 6.0851 6.2254 6.2254 6.8532 6.8532 7.3595 7.3595 7.4376 7.4376 7.7029 7.7029 k = 0.5000 0.2887 0.2064 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5490 -0.5490 -0.3514 -0.3514 0.1206 0.1206 0.3601 0.3601 0.3695 0.3695 0.6057 0.6057 0.6242 0.6242 4.2242 4.2242 5.3334 5.3334 6.0847 6.0847 6.2261 6.2261 6.8532 6.8532 7.3801 7.3801 7.4201 7.4201 7.7012 7.7012 k = 0.5000 0.2887 0.2064 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5490 -0.5490 -0.3514 -0.3514 0.1206 0.1206 0.3601 0.3601 0.3695 0.3695 0.6057 0.6057 0.6242 0.6242 4.2242 4.2242 5.3334 5.3334 6.0847 6.0847 6.2261 6.2261 6.8532 6.8532 7.3801 7.3801 7.4201 7.4201 7.7012 7.7012 k = 0.4931 0.3007 0.2064 ( 7964 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5484 -0.5484 -0.3510 -0.3510 0.1207 0.1207 0.3580 0.3580 0.3708 0.3708 0.6040 0.6040 0.6242 0.6242 4.2253 4.2253 5.3344 5.3344 6.0788 6.0788 6.2281 6.2281 6.8560 6.8560 7.3821 7.3821 7.4217 7.4217 7.7000 7.7000 k = 0.4861 0.3127 0.2064 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4006 -16.4006 -11.3150 -11.3150 -11.3032 -11.3032 -0.5463 -0.5463 -0.3497 -0.3497 0.1211 0.1211 0.3532 0.3532 0.3731 0.3731 0.5993 0.5993 0.6237 0.6237 4.2288 4.2288 5.3373 5.3373 6.0615 6.0615 6.2341 6.2341 6.8642 6.8642 7.3883 7.3883 7.4265 7.4265 7.6962 7.6962 k = 0.4792 0.3248 0.2064 ( 7958 PWs) bands (ev): -37.5506 -37.5506 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4326 -18.4326 -18.4111 -18.4111 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4006 -16.4006 -11.3147 -11.3147 -11.3031 -11.3031 -0.5430 -0.5430 -0.3475 -0.3475 0.1216 0.1216 0.3468 0.3468 0.3752 0.3752 0.5922 0.5922 0.6224 0.6224 4.2345 4.2345 5.3420 5.3420 6.0337 6.0337 6.2442 6.2442 6.8770 6.8770 7.3985 7.3985 7.4346 7.4346 7.6900 7.6900 k = 0.4722 0.3368 0.2064 ( 7958 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4326 -18.4326 -18.4112 -18.4112 -16.8047 -16.8047 -16.8000 -16.8000 -16.4423 -16.4423 -16.4376 -16.4376 -16.4056 -16.4056 -16.4008 -16.4008 -11.3143 -11.3143 -11.3030 -11.3030 -0.5383 -0.5383 -0.3444 -0.3444 0.1224 0.1224 0.3392 0.3392 0.3767 0.3767 0.5832 0.5832 0.6202 0.6202 4.2425 4.2425 5.3484 5.3484 5.9966 5.9966 6.2581 6.2581 6.8934 6.8934 7.4124 7.4124 7.4457 7.4457 7.6815 7.6815 k = 0.4653 0.3488 0.2064 ( 7958 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8010 -18.8010 -18.4326 -18.4326 -18.4113 -18.4113 -16.8047 -16.8047 -16.8000 -16.8000 -16.4423 -16.4423 -16.4376 -16.4376 -16.4056 -16.4056 -16.4009 -16.4009 -11.3138 -11.3138 -11.3029 -11.3029 -0.5323 -0.5323 -0.3405 -0.3405 0.1232 0.1232 0.3302 0.3302 0.3776 0.3776 0.5727 0.5727 0.6170 0.6170 4.2527 4.2527 5.3563 5.3563 5.9518 5.9518 6.2758 6.2758 6.9123 6.9123 7.4299 7.4299 7.4601 7.4601 7.6707 7.6707 k = 0.4583 0.3608 0.2064 ( 7954 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4114 -18.4114 -16.8047 -16.8047 -16.8001 -16.8001 -16.4423 -16.4423 -16.4375 -16.4375 -16.4057 -16.4057 -16.4011 -16.4011 -11.3132 -11.3132 -11.3028 -11.3028 -0.5251 -0.5251 -0.3359 -0.3359 0.1241 0.1241 0.3197 0.3197 0.3778 0.3778 0.5611 0.5611 0.6129 0.6129 4.2652 4.2652 5.3655 5.3655 5.9005 5.9005 6.2972 6.2972 6.9328 6.9328 7.4507 7.4507 7.4775 7.4775 7.6579 7.6579 k = 0.4514 0.3729 0.2064 ( 7950 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4115 -18.4115 -16.8047 -16.8047 -16.8002 -16.8002 -16.4422 -16.4422 -16.4375 -16.4375 -16.4058 -16.4058 -16.4013 -16.4013 -11.3125 -11.3125 -11.3026 -11.3026 -0.5166 -0.5166 -0.3304 -0.3304 0.1249 0.1249 0.3077 0.3077 0.3771 0.3771 0.5490 0.5490 0.6083 0.6083 4.2798 4.2798 5.3757 5.3757 5.8442 5.8442 6.3220 6.3220 6.9538 6.9538 7.4747 7.4747 7.4980 7.4980 7.6431 7.6431 k = 0.4444 0.3849 0.2064 ( 7942 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8011 -18.8011 -18.4326 -18.4326 -18.4116 -18.4116 -16.8046 -16.8046 -16.8003 -16.8003 -16.4421 -16.4421 -16.4375 -16.4375 -16.4059 -16.4059 -16.4015 -16.4015 -11.3117 -11.3117 -11.3024 -11.3024 -0.5069 -0.5069 -0.3243 -0.3243 0.1255 0.1255 0.2940 0.2940 0.3755 0.3755 0.5368 0.5368 0.6031 0.6031 4.2965 4.2965 5.3866 5.3866 5.7838 5.7838 6.3501 6.3501 6.9747 6.9747 7.5018 7.5018 7.5211 7.5211 7.6270 7.6270 k = 0.4375 0.3969 0.2064 ( 7938 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4326 -18.4326 -18.4118 -18.4118 -16.8046 -16.8046 -16.8004 -16.8004 -16.4421 -16.4421 -16.4375 -16.4375 -16.4060 -16.4060 -16.4017 -16.4017 -11.3108 -11.3108 -11.3022 -11.3022 -0.4961 -0.4961 -0.3176 -0.3176 0.1257 0.1257 0.2786 0.2786 0.3730 0.3730 0.5250 0.5250 0.5977 0.5977 4.3153 4.3153 5.3981 5.3981 5.7203 5.7203 6.3813 6.3813 6.9948 6.9948 7.5316 7.5316 7.5461 7.5461 7.6106 7.6107 k = 0.4306 0.4090 0.2064 ( 7952 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4326 -18.4326 -18.4119 -18.4119 -16.8045 -16.8045 -16.8005 -16.8005 -16.4420 -16.4420 -16.4375 -16.4375 -16.4062 -16.4062 -16.4020 -16.4020 -11.3099 -11.3099 -11.3020 -11.3020 -0.4842 -0.4842 -0.3103 -0.3103 0.1255 0.1255 0.2616 0.2616 0.3695 0.3695 0.5142 0.5142 0.5921 0.5921 4.3362 4.3362 5.4099 5.4099 5.6546 5.6546 6.4150 6.4150 7.0133 7.0133 7.5598 7.5598 7.5699 7.5699 7.6012 7.6012 k = 0.4236 0.4210 0.2064 ( 7948 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8013 -18.8013 -18.4326 -18.4326 -18.4121 -18.4121 -16.8045 -16.8045 -16.8006 -16.8006 -16.4419 -16.4419 -16.4375 -16.4375 -16.4063 -16.4063 -16.4022 -16.4022 -11.3089 -11.3089 -11.3018 -11.3018 -0.4713 -0.4713 -0.3026 -0.3026 0.1244 0.1244 0.2431 0.2431 0.3649 0.3649 0.5047 0.5047 0.5866 0.5866 4.3590 4.3590 5.4216 5.4216 5.5875 5.5875 6.4512 6.4512 7.0299 7.0299 7.5563 7.5563 7.6014 7.6014 7.6194 7.6194 k = 0.4167 0.4330 0.2064 ( 7946 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8013 -18.8013 -18.4326 -18.4326 -18.4122 -18.4122 -16.8044 -16.8044 -16.8008 -16.8008 -16.4419 -16.4419 -16.4375 -16.4375 -16.4064 -16.4064 -16.4025 -16.4025 -11.3080 -11.3080 -11.3016 -11.3016 -0.4574 -0.4574 -0.2945 -0.2945 0.1222 0.1222 0.2235 0.2235 0.3596 0.3596 0.4968 0.4968 0.5813 0.5813 4.3837 4.3837 5.4332 5.4332 5.5196 5.5196 6.4895 6.4895 7.0441 7.0441 7.5372 7.5372 7.6367 7.6367 7.6522 7.6522 k = 0.4097 0.4450 0.2064 ( 7944 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5461 -35.5461 -18.8014 -18.8014 -18.4326 -18.4326 -18.4124 -18.4124 -16.8044 -16.8044 -16.8010 -16.8010 -16.4418 -16.4418 -16.4375 -16.4375 -16.4065 -16.4065 -16.4027 -16.4027 -11.3069 -11.3069 -11.3014 -11.3014 -0.4427 -0.4427 -0.2863 -0.2863 0.1187 0.1187 0.2034 0.2034 0.3536 0.3536 0.4905 0.4905 0.5762 0.5762 4.4103 4.4103 5.4423 5.4423 5.4536 5.4536 6.5294 6.5294 7.0555 7.0555 7.5151 7.5151 7.6716 7.6716 7.6884 7.6885 k = 0.4028 0.4571 0.2064 ( 7956 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8014 -18.8014 -18.4326 -18.4326 -18.4125 -18.4125 -16.8043 -16.8043 -16.8011 -16.8011 -16.4417 -16.4417 -16.4375 -16.4375 -16.4067 -16.4067 -16.4030 -16.4030 -11.3059 -11.3059 -11.3012 -11.3012 -0.4273 -0.4273 -0.2782 -0.2782 0.1132 0.1132 0.1834 0.1834 0.3473 0.3473 0.4859 0.4859 0.5713 0.5713 4.4387 4.4387 5.3828 5.3828 5.4560 5.4560 6.5707 6.5707 7.0639 7.0639 7.4919 7.4919 7.7050 7.7050 7.7186 7.7187 k = 0.3958 0.4691 0.2064 ( 7964 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8015 -18.8015 -18.4326 -18.4326 -18.4127 -18.4127 -16.8042 -16.8042 -16.8013 -16.8013 -16.4416 -16.4416 -16.4375 -16.4375 -16.4068 -16.4068 -16.4033 -16.4033 -11.3050 -11.3050 -11.3009 -11.3009 -0.4113 -0.4113 -0.2703 -0.2703 0.1051 0.1051 0.1646 0.1646 0.3410 0.3410 0.4827 0.4827 0.5668 0.5668 4.4687 4.4687 5.3157 5.3157 5.4660 5.4660 6.6131 6.6131 7.0690 7.0690 7.4683 7.4683 7.7268 7.7268 7.7379 7.7379 k = 0.3889 0.4811 0.2064 ( 7956 PWs) bands (ev): -37.5505 -37.5505 -35.5467 -35.5467 -35.5462 -35.5462 -18.8016 -18.8016 -18.4326 -18.4326 -18.4128 -18.4128 -16.8041 -16.8041 -16.8015 -16.8015 -16.4416 -16.4416 -16.4375 -16.4375 -16.4069 -16.4069 -16.4035 -16.4035 -11.3040 -11.3040 -11.3007 -11.3007 -0.3948 -0.3948 -0.2630 -0.2630 0.0942 0.0942 0.1480 0.1480 0.3352 0.3352 0.4807 0.4807 0.5626 0.5626 4.5005 4.5005 5.2497 5.2497 5.4754 5.4754 6.6562 6.6562 7.0706 7.0706 7.4446 7.4446 7.7277 7.7277 7.7653 7.7653 k = 0.3819 0.4932 0.2064 ( 7956 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8016 -18.8016 -18.4327 -18.4327 -18.4129 -18.4129 -16.8040 -16.8040 -16.8017 -16.8017 -16.4415 -16.4415 -16.4375 -16.4375 -16.4070 -16.4070 -16.4037 -16.4037 -11.3031 -11.3031 -11.3005 -11.3005 -0.3780 -0.3780 -0.2567 -0.2567 0.0805 0.0805 0.1341 0.1341 0.3301 0.3301 0.4798 0.4798 0.5586 0.5586 4.5338 4.5338 5.1852 5.1852 5.4840 5.4840 6.6997 6.6997 7.0688 7.0688 7.4212 7.4212 7.7281 7.7281 7.7882 7.7882 k = 0.3750 0.5052 0.2064 ( 7960 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8017 -18.8017 -18.4327 -18.4327 -18.4130 -18.4130 -16.8039 -16.8039 -16.8018 -16.8018 -16.4414 -16.4414 -16.4376 -16.4376 -16.4071 -16.4071 -16.4039 -16.4039 -11.3023 -11.3023 -11.3003 -11.3003 -0.3611 -0.3611 -0.2517 -0.2517 0.0655 0.0655 0.1224 0.1224 0.3257 0.3257 0.4797 0.4797 0.5550 0.5550 4.5686 4.5686 5.1226 5.1226 5.4916 5.4916 6.7431 6.7431 7.0634 7.0634 7.3986 7.3986 7.7306 7.7306 7.8048 7.8048 k = 0.3681 0.5172 0.2064 ( 7958 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4131 -18.4131 -16.8038 -16.8038 -16.8020 -16.8020 -16.4414 -16.4414 -16.4376 -16.4376 -16.4072 -16.4072 -16.4041 -16.4041 -11.3015 -11.3015 -11.3001 -11.3001 -0.3444 -0.3444 -0.2486 -0.2486 0.0507 0.0507 0.1124 0.1124 0.3223 0.3223 0.4803 0.4803 0.5516 0.5516 4.6048 4.6048 5.0623 5.0623 5.4981 5.4981 6.7860 6.7860 7.0547 7.0547 7.3770 7.3770 7.7356 7.7356 7.8146 7.8147 k = 0.3611 0.5292 0.2064 ( 7962 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4131 -18.4131 -16.8037 -16.8037 -16.8022 -16.8022 -16.4413 -16.4413 -16.4376 -16.4376 -16.4073 -16.4073 -16.4043 -16.4043 -11.3009 -11.3009 -11.2999 -11.2999 -0.3281 -0.3281 -0.2478 -0.2478 0.0376 0.0376 0.1037 0.1037 0.3196 0.3196 0.4813 0.4813 0.5485 0.5485 4.6425 4.6425 5.0046 5.0046 5.5035 5.5035 6.8277 6.8277 7.0429 7.0429 7.3570 7.3570 7.7431 7.7431 7.8181 7.8181 k = 0.3542 0.5413 0.2064 ( 7958 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8036 -16.8036 -16.8024 -16.8024 -16.4413 -16.4413 -16.4376 -16.4376 -16.4074 -16.4074 -16.4044 -16.4044 -11.3004 -11.3004 -11.2998 -11.2998 -0.3126 -0.3126 -0.2495 -0.2495 0.0271 0.0271 0.0963 0.0963 0.3177 0.3177 0.4826 0.4826 0.5458 0.5458 4.6813 4.6813 4.9497 4.9497 5.5078 5.5078 6.8674 6.8674 7.0284 7.0284 7.3394 7.3394 7.7527 7.7527 7.8160 7.8160 k = 0.3472 0.5533 0.2064 ( 7962 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8034 -16.8034 -16.8026 -16.8026 -16.4412 -16.4412 -16.4377 -16.4377 -16.4074 -16.4074 -16.4045 -16.4045 -11.3000 -11.3000 -11.2996 -11.2996 -0.2985 -0.2985 -0.2538 -0.2538 0.0196 0.0196 0.0906 0.0906 0.3165 0.3165 0.4839 0.4839 0.5437 0.5437 4.7215 4.7215 4.8980 4.8980 5.5109 5.5109 6.9036 6.9036 7.0119 7.0119 7.3250 7.3250 7.7640 7.7640 7.8097 7.8097 k = 0.3403 0.5653 0.2064 ( 7960 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8033 -16.8033 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2999 -11.2999 -11.2995 -11.2995 -0.2867 -0.2867 -0.2597 -0.2597 0.0153 0.0153 0.0870 0.0870 0.3158 0.3158 0.4849 0.4849 0.5422 0.5422 4.7627 4.7627 4.8498 4.8498 5.5127 5.5127 6.9333 6.9333 6.9951 6.9951 7.3152 7.3152 7.7764 7.7764 7.8004 7.8004 k = 0.3333 0.5774 0.2064 ( 7968 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4046 -16.4046 -11.2998 -11.2998 -11.2994 -11.2994 -0.2808 -0.2808 -0.2636 -0.2636 0.0139 0.0139 0.0857 0.0857 0.3155 0.3155 0.4853 0.4853 0.5416 0.5416 4.8028 4.8028 4.8073 4.8073 5.5133 5.5133 6.9473 6.9473 6.9858 6.9858 7.3115 7.3115 7.7888 7.7888 7.7890 7.7890 k = 0.3333 0.5774 0.2064 ( 7968 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4046 -16.4046 -11.2998 -11.2998 -11.2994 -11.2994 -0.2808 -0.2808 -0.2636 -0.2636 0.0139 0.0139 0.0857 0.0857 0.3155 0.3155 0.4853 0.4853 0.5416 0.5416 4.8028 4.8028 4.8073 4.8073 5.5133 5.5133 6.9473 6.9473 6.9858 6.9858 7.3115 7.3115 7.7888 7.7888 7.7890 7.7890 k = 0.3262 0.5651 0.2064 ( 7968 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8033 -16.8033 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2999 -11.2999 -11.2995 -11.2995 -0.2865 -0.2865 -0.2598 -0.2598 0.0152 0.0152 0.0871 0.0871 0.3158 0.3158 0.4847 0.4847 0.5423 0.5423 4.7633 4.7633 4.8493 4.8493 5.5127 5.5127 6.9353 6.9353 6.9925 6.9925 7.3157 7.3157 7.7760 7.7760 7.8005 7.8005 k = 0.3191 0.5528 0.2064 ( 7966 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8035 -16.8035 -16.8026 -16.8026 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4045 -16.4045 -11.3002 -11.3002 -11.2996 -11.2996 -0.2972 -0.2972 -0.2545 -0.2545 0.0189 0.0189 0.0911 0.0911 0.3164 0.3164 0.4831 0.4831 0.5443 0.5443 4.7259 4.7259 4.8943 4.8943 5.5108 5.5108 6.9130 6.9130 6.9983 6.9983 7.3286 7.3286 7.7626 7.7626 7.8093 7.8093 k = 0.3121 0.5405 0.2064 ( 7964 PWs) bands (ev): -37.5504 -37.5504 -35.5465 -35.5465 -35.5463 -35.5463 -18.8018 -18.8018 -18.4327 -18.4327 -18.4132 -18.4132 -16.8036 -16.8036 -16.8023 -16.8023 -16.4413 -16.4413 -16.4376 -16.4376 -16.4074 -16.4074 -16.4044 -16.4044 -11.3007 -11.3007 -11.2997 -11.2997 -0.3088 -0.3088 -0.2510 -0.2510 0.0246 0.0246 0.0975 0.0975 0.3176 0.3176 0.4803 0.4803 0.5478 0.5478 4.6928 4.6928 4.9402 4.9402 5.5077 5.5077 6.8882 6.8882 6.9964 6.9964 7.3491 7.3491 7.7495 7.7495 7.8135 7.8135 k = 0.3050 0.5282 0.2064 ( 7956 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5463 -35.5463 -18.8017 -18.8017 -18.4327 -18.4327 -18.4132 -18.4132 -16.8038 -16.8038 -16.8021 -16.8021 -16.4414 -16.4414 -16.4375 -16.4375 -16.4073 -16.4073 -16.4043 -16.4043 -11.3014 -11.3014 -11.2999 -11.2999 -0.3204 -0.3204 -0.2498 -0.2498 0.0319 0.0319 0.1060 0.1060 0.3192 0.3192 0.4764 0.4764 0.5527 0.5527 4.6643 4.6643 4.9868 4.9868 5.5034 5.5034 6.8622 6.8622 6.9871 6.9871 7.3746 7.3746 7.7373 7.7373 7.8114 7.8114 k = 0.2979 0.5159 0.2064 ( 7952 PWs) bands (ev): -37.5504 -37.5504 -35.5466 -35.5466 -35.5462 -35.5462 -18.8017 -18.8017 -18.4326 -18.4326 -18.4131 -18.4131 -16.8040 -16.8040 -16.8018 -16.8018 -16.4415 -16.4415 -16.4374 -16.4374 -16.4071 -16.4071 -16.4041 -16.4041 -11.3024 -11.3024 -11.3000 -11.3000 -0.3312 -0.3312 -0.2508 -0.2508 0.0401 0.0401 0.1162 0.1162 0.3216 0.3216 0.4717 0.4717 0.5588 0.5588 4.6405 4.6405 5.0339 5.0339 5.4979 5.4979 6.8358 6.8358 6.9719 6.9719 7.4019 7.4019 7.7269 7.7269 7.8024 7.8024 k = 0.2908 0.5036 0.2064 ( 7934 PWs) bands (ev): -37.5504 -37.5504 -35.5467 -35.5467 -35.5462 -35.5462 -18.8016 -18.8016 -18.4325 -18.4325 -18.4130 -18.4130 -16.8041 -16.8041 -16.8015 -16.8015 -16.4416 -16.4416 -16.4372 -16.4372 -16.4070 -16.4070 -16.4039 -16.4039 -11.3037 -11.3037 -11.3003 -11.3003 -0.3408 -0.3408 -0.2536 -0.2536 0.0486 0.0486 0.1279 0.1279 0.3248 0.3248 0.4663 0.4663 0.5660 0.5660 4.6215 4.6215 5.0814 5.0814 5.4915 5.4915 6.8093 6.8093 6.9523 6.9523 7.4277 7.4277 7.7193 7.7193 7.7870 7.7870 k = 0.2837 0.4914 0.2064 ( 7930 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5462 -35.5462 -18.8015 -18.8015 -18.4323 -18.4323 -18.4130 -18.4130 -16.8043 -16.8043 -16.8012 -16.8012 -16.4418 -16.4418 -16.4370 -16.4370 -16.4068 -16.4068 -16.4036 -16.4036 -11.3052 -11.3052 -11.3006 -11.3006 -0.3491 -0.3491 -0.2579 -0.2579 0.0566 0.0566 0.1409 0.1409 0.3291 0.3291 0.4605 0.4605 0.5741 0.5741 4.6073 4.6073 5.1289 5.1289 5.4841 5.4841 6.7831 6.7831 6.9296 6.9296 7.4485 7.4485 7.7156 7.7156 7.7662 7.7662 k = 0.2766 0.4791 0.2064 ( 7930 PWs) bands (ev): -37.5505 -37.5505 -35.5468 -35.5468 -35.5461 -35.5461 -18.8013 -18.8013 -18.4321 -18.4321 -18.4129 -18.4129 -16.8044 -16.8044 -16.8008 -16.8008 -16.4420 -16.4420 -16.4367 -16.4367 -16.4066 -16.4066 -16.4034 -16.4034 -11.3070 -11.3070 -11.3009 -11.3009 -0.3556 -0.3556 -0.2633 -0.2633 0.0633 0.0633 0.1549 0.1549 0.3344 0.3344 0.4545 0.4545 0.5832 0.5832 4.5981 4.5981 5.1762 5.1762 5.4762 5.4762 6.7573 6.7573 6.9047 6.9047 7.4612 7.4612 7.7169 7.7169 7.7415 7.7415 k = 0.2695 0.4668 0.2064 ( 7954 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8012 -18.8012 -18.4319 -18.4319 -18.4129 -18.4129 -16.8046 -16.8046 -16.8005 -16.8005 -16.4422 -16.4422 -16.4365 -16.4365 -16.4064 -16.4064 -16.4031 -16.4031 -11.3090 -11.3090 -11.3013 -11.3013 -0.3604 -0.3604 -0.2696 -0.2696 0.0682 0.0682 0.1699 0.1699 0.3408 0.3408 0.4486 0.4486 0.5932 0.5932 4.5938 4.5938 5.2225 5.2225 5.4682 5.4682 6.7323 6.7323 6.8782 6.8782 7.4635 7.4635 7.7122 7.7122 7.7246 7.7246 k = 0.2624 0.4545 0.2064 ( 7954 PWs) bands (ev): -37.5505 -37.5505 -35.5469 -35.5469 -35.5461 -35.5461 -18.8011 -18.8011 -18.4317 -18.4317 -18.4128 -18.4128 -16.8047 -16.8047 -16.8001 -16.8001 -16.4424 -16.4424 -16.4362 -16.4362 -16.4061 -16.4061 -16.4028 -16.4028 -11.3113 -11.3113 -11.3018 -11.3018 -0.3634 -0.3634 -0.2764 -0.2764 0.0711 0.0711 0.1854 0.1854 0.3483 0.3483 0.4432 0.4432 0.6040 0.6040 4.5945 4.5945 5.2664 5.2664 5.4612 5.4612 6.7082 6.7082 6.8507 6.8507 7.4551 7.4551 7.6821 7.6821 7.7343 7.7343 k = 0.2553 0.4422 0.2064 ( 7958 PWs) bands (ev): -37.5505 -37.5505 -35.5470 -35.5470 -35.5461 -35.5461 -18.8009 -18.8009 -18.4314 -18.4314 -18.4128 -18.4128 -16.8049 -16.8049 -16.7998 -16.7998 -16.4426 -16.4426 -16.4359 -16.4359 -16.4058 -16.4058 -16.4025 -16.4025 -11.3139 -11.3139 -11.3023 -11.3023 -0.3643 -0.3643 -0.2836 -0.2836 0.0718 0.0718 0.2012 0.2012 0.3565 0.3565 0.4390 0.4390 0.6155 0.6155 4.6000 4.6000 5.3050 5.3050 5.4581 5.4581 6.6853 6.6853 6.8228 6.8228 7.4367 7.4367 7.6496 7.6496 7.7452 7.7452 k = 0.2482 0.4299 0.2064 ( 7944 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8007 -18.8007 -18.4311 -18.4311 -18.4127 -18.4127 -16.8050 -16.8050 -16.7993 -16.7993 -16.4429 -16.4429 -16.4355 -16.4355 -16.4055 -16.4055 -16.4021 -16.4021 -11.3167 -11.3167 -11.3028 -11.3028 -0.3634 -0.3634 -0.2912 -0.2912 0.0706 0.0706 0.2168 0.2168 0.3649 0.3649 0.4366 0.4366 0.6278 0.6278 4.6105 4.6105 5.3323 5.3323 5.4647 5.4647 6.6636 6.6636 6.7949 6.7949 7.4101 7.4101 7.6153 7.6153 7.7534 7.7534 k = 0.2411 0.4177 0.2064 ( 7956 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5460 -35.5460 -18.8005 -18.8005 -18.4307 -18.4307 -18.4126 -18.4126 -16.8051 -16.8051 -16.7989 -16.7989 -16.4431 -16.4431 -16.4351 -16.4351 -16.4052 -16.4052 -16.4017 -16.4017 -11.3197 -11.3197 -11.3034 -11.3034 -0.3606 -0.3606 -0.2991 -0.2991 0.0678 0.0678 0.2318 0.2318 0.3727 0.3727 0.4370 0.4370 0.6408 0.6408 4.6257 4.6257 5.3423 5.3423 5.4867 5.4867 6.6433 6.6433 6.7675 6.7675 7.3767 7.3767 7.5796 7.5796 7.7556 7.7556 k = 0.2340 0.4054 0.2064 ( 7964 PWs) bands (ev): -37.5506 -37.5506 -35.5472 -35.5472 -35.5460 -35.5460 -18.8003 -18.8003 -18.4304 -18.4304 -18.4126 -18.4126 -16.8052 -16.8052 -16.7985 -16.7985 -16.4433 -16.4433 -16.4348 -16.4348 -16.4048 -16.4048 -16.4013 -16.4013 -11.3231 -11.3231 -11.3041 -11.3041 -0.3560 -0.3560 -0.3073 -0.3073 0.0637 0.0637 0.2455 0.2455 0.3794 0.3794 0.4412 0.4412 0.6543 0.6543 4.6457 4.6457 5.3369 5.3369 5.5218 5.5218 6.6246 6.6246 6.7408 6.7408 7.3379 7.3379 7.5426 7.5426 7.7507 7.7507 k = 0.2270 0.3931 0.2064 ( 7956 PWs) bands (ev): -37.5506 -37.5506 -35.5473 -35.5473 -35.5460 -35.5460 -18.8001 -18.8001 -18.4299 -18.4299 -18.4125 -18.4125 -16.8052 -16.8052 -16.7981 -16.7981 -16.4436 -16.4436 -16.4343 -16.4343 -16.4045 -16.4045 -16.4008 -16.4008 -11.3266 -11.3266 -11.3048 -11.3048 -0.3498 -0.3498 -0.3159 -0.3159 0.0588 0.0588 0.2574 0.2574 0.3853 0.3853 0.4493 0.4493 0.6684 0.6684 4.6702 4.6702 5.3223 5.3223 5.5636 5.5636 6.6075 6.6075 6.7153 6.7153 7.2952 7.2952 7.5046 7.5046 7.7404 7.7404 k = 0.2199 0.3808 0.2064 ( 7960 PWs) bands (ev): -37.5507 -37.5507 -35.5474 -35.5474 -35.5460 -35.5460 -18.7998 -18.7998 -18.4295 -18.4295 -18.4125 -18.4125 -16.8053 -16.8053 -16.7976 -16.7976 -16.4438 -16.4438 -16.4339 -16.4339 -16.4041 -16.4041 -16.4004 -16.4004 -11.3304 -11.3304 -11.3056 -11.3056 -0.3427 -0.3427 -0.3247 -0.3247 0.0536 0.0536 0.2671 0.2671 0.3914 0.3914 0.4605 0.4605 0.6830 0.6830 4.6992 4.6992 5.3022 5.3022 5.6082 5.6082 6.5921 6.5921 6.6912 6.6912 7.2495 7.2495 7.4656 7.4656 7.7271 7.7272 k = 0.2128 0.3685 0.2064 ( 7962 PWs) bands (ev): -37.5507 -37.5507 -35.5475 -35.5475 -35.5460 -35.5460 -18.7995 -18.7995 -18.4290 -18.4290 -18.4125 -18.4125 -16.8054 -16.8054 -16.7971 -16.7971 -16.4440 -16.4440 -16.4334 -16.4334 -16.4036 -16.4036 -16.3999 -16.3999 -11.3343 -11.3343 -11.3064 -11.3064 -0.3390 -0.3390 -0.3293 -0.3293 0.0487 0.0487 0.2743 0.2743 0.3986 0.3986 0.4741 0.4741 0.6980 0.6980 4.7325 4.7325 5.2781 5.2781 5.6537 5.6537 6.5786 6.5786 6.6689 6.6689 7.2018 7.2018 7.4258 7.4258 7.7125 7.7125 k = 0.2057 0.3562 0.2064 ( 7962 PWs) bands (ev): -37.5508 -37.5508 -35.5475 -35.5475 -35.5460 -35.5460 -18.7992 -18.7992 -18.4284 -18.4284 -18.4125 -18.4125 -16.8054 -16.8054 -16.7967 -16.7967 -16.4442 -16.4442 -16.4329 -16.4329 -16.4032 -16.4032 -16.3994 -16.3994 -11.3385 -11.3385 -11.3072 -11.3072 -0.3475 -0.3475 -0.3218 -0.3218 0.0445 0.0445 0.2793 0.2793 0.4075 0.4075 0.4892 0.4892 0.7133 0.7133 4.7700 4.7700 5.2506 5.2506 5.6993 5.6993 6.5668 6.5668 6.6484 6.6484 7.1529 7.1529 7.3855 7.3855 7.6970 7.6970 k = 0.1986 0.3440 0.2064 ( 7968 PWs) bands (ev): -37.5508 -37.5508 -35.5476 -35.5476 -35.5460 -35.5460 -18.7990 -18.7990 -18.4278 -18.4278 -18.4125 -18.4125 -16.8054 -16.8054 -16.7962 -16.7962 -16.4444 -16.4444 -16.4325 -16.4325 -16.4028 -16.4028 -16.3988 -16.3988 -11.3429 -11.3429 -11.3081 -11.3081 -0.3589 -0.3589 -0.3119 -0.3119 0.0415 0.0415 0.2827 0.2827 0.4181 0.4181 0.5053 0.5053 0.7289 0.7289 4.8113 4.8113 5.2201 5.2201 5.7444 5.7444 6.5569 6.5569 6.6299 6.6299 7.1035 7.1035 7.3446 7.3446 7.6805 7.6805 k = 0.1915 0.3317 0.2064 ( 7964 PWs) bands (ev): -37.5508 -37.5508 -35.5477 -35.5477 -35.5460 -35.5460 -18.7986 -18.7986 -18.4272 -18.4272 -18.4125 -18.4125 -16.8055 -16.8055 -16.7957 -16.7957 -16.4446 -16.4446 -16.4320 -16.4320 -16.4023 -16.4023 -16.3983 -16.3983 -11.3474 -11.3474 -11.3090 -11.3090 -0.3714 -0.3714 -0.3018 -0.3018 0.0404 0.0404 0.2852 0.2852 0.4300 0.4300 0.5222 0.5222 0.7446 0.7446 4.8565 4.8565 5.1868 5.1868 5.7885 5.7885 6.5489 6.5489 6.6133 6.6133 7.0544 7.0544 7.3035 7.3035 7.6624 7.6624 k = 0.1844 0.3194 0.2064 ( 7970 PWs) bands (ev): -37.5509 -37.5509 -35.5478 -35.5478 -35.5460 -35.5460 -18.7983 -18.7983 -18.4266 -18.4266 -18.4125 -18.4125 -16.8055 -16.8055 -16.7952 -16.7952 -16.4448 -16.4448 -16.4314 -16.4314 -16.4019 -16.4019 -16.3978 -16.3978 -11.3520 -11.3520 -11.3100 -11.3100 -0.3851 -0.3851 -0.2922 -0.2922 0.0416 0.0416 0.2877 0.2877 0.4428 0.4428 0.5396 0.5396 0.7603 0.7603 4.9051 4.9051 5.1509 5.1509 5.8315 5.8315 6.5426 6.5426 6.5986 6.5986 7.0060 7.0060 7.2623 7.2623 7.6421 7.6421 k = 0.1773 0.3071 0.2064 ( 7970 PWs) bands (ev): -37.5509 -37.5509 -35.5479 -35.5479 -35.5460 -35.5460 -18.7980 -18.7980 -18.4260 -18.4260 -18.4125 -18.4125 -16.8055 -16.8055 -16.7947 -16.7947 -16.4450 -16.4450 -16.4309 -16.4309 -16.4014 -16.4014 -16.3972 -16.3972 -11.3567 -11.3567 -11.3110 -11.3110 -0.3998 -0.3998 -0.2838 -0.2838 0.0456 0.0456 0.2907 0.2907 0.4561 0.4561 0.5574 0.5574 0.7761 0.7761 4.9571 4.9571 5.1124 5.1124 5.8730 5.8730 6.5379 6.5379 6.5855 6.5855 6.9592 6.9592 7.2213 7.2213 7.6189 7.6189 k = 0.1702 0.2948 0.2064 ( 7964 PWs) bands (ev): -37.5510 -37.5510 -35.5479 -35.5479 -35.5460 -35.5460 -18.7977 -18.7977 -18.4253 -18.4253 -18.4125 -18.4125 -16.8055 -16.8055 -16.7942 -16.7942 -16.4451 -16.4451 -16.4304 -16.4304 -16.4009 -16.4009 -16.3966 -16.3966 -11.3616 -11.3616 -11.3120 -11.3120 -0.4154 -0.4154 -0.2771 -0.2771 0.0528 0.0528 0.2948 0.2948 0.4696 0.4696 0.5754 0.5754 0.7917 0.7917 5.0122 5.0122 5.0715 5.0715 5.9129 5.9129 6.5346 6.5346 6.5735 6.5735 6.9148 6.9148 7.1807 7.1807 7.5922 7.5923 k = 0.1631 0.2825 0.2064 ( 7976 PWs) bands (ev): -37.5510 -37.5510 -35.5480 -35.5480 -35.5460 -35.5460 -18.7973 -18.7973 -18.4246 -18.4246 -18.4125 -18.4125 -16.8055 -16.8055 -16.7937 -16.7937 -16.4453 -16.4453 -16.4299 -16.4299 -16.4005 -16.4005 -16.3960 -16.3960 -11.3665 -11.3665 -11.3130 -11.3130 -0.4320 -0.4320 -0.2724 -0.2724 0.0634 0.0634 0.3001 0.3001 0.4831 0.4831 0.5937 0.5937 0.8072 0.8072 5.0283 5.0283 5.0702 5.0702 5.9508 5.9508 6.5321 6.5321 6.5624 6.5624 6.8739 6.8739 7.1407 7.1407 7.5621 7.5621 k = 0.1560 0.2702 0.2064 ( 7962 PWs) bands (ev): -37.5510 -37.5510 -35.5481 -35.5481 -35.5460 -35.5460 -18.7970 -18.7970 -18.4239 -18.4239 -18.4126 -18.4126 -16.8055 -16.8055 -16.7931 -16.7931 -16.4454 -16.4454 -16.4293 -16.4293 -16.4000 -16.4000 -16.3954 -16.3954 -11.3715 -11.3715 -11.3140 -11.3140 -0.4493 -0.4493 -0.2701 -0.2701 0.0774 0.0774 0.3070 0.3070 0.4965 0.4965 0.6122 0.6122 0.8224 0.8224 4.9834 4.9834 5.1306 5.1306 5.9867 5.9867 6.5285 6.5285 6.5527 6.5527 6.8376 6.8376 7.1017 7.1017 7.5289 7.5289 k = 0.1489 0.2580 0.2064 ( 7954 PWs) bands (ev): -37.5511 -37.5511 -35.5482 -35.5482 -35.5460 -35.5460 -18.7966 -18.7966 -18.4232 -18.4232 -18.4126 -18.4126 -16.8054 -16.8054 -16.7926 -16.7926 -16.4455 -16.4455 -16.4288 -16.4288 -16.3995 -16.3995 -16.3948 -16.3948 -11.3764 -11.3764 -11.3150 -11.3150 -0.4672 -0.4672 -0.2701 -0.2701 0.0946 0.0946 0.3156 0.3156 0.5096 0.5096 0.6309 0.6309 0.8372 0.8372 4.9367 4.9367 5.1934 5.1934 6.0204 6.0204 6.5194 6.5194 6.5472 6.5472 6.8076 6.8076 7.0641 7.0641 7.4930 7.4930 k = 0.1418 0.2457 0.2064 ( 7958 PWs) bands (ev): -37.5511 -37.5511 -35.5483 -35.5483 -35.5460 -35.5460 -18.7963 -18.7963 -18.4225 -18.4225 -18.4126 -18.4126 -16.8054 -16.8054 -16.7921 -16.7921 -16.4457 -16.4457 -16.4283 -16.4283 -16.3990 -16.3990 -16.3942 -16.3942 -11.3814 -11.3814 -11.3161 -11.3161 -0.4855 -0.4855 -0.2724 -0.2724 0.1145 0.1145 0.3259 0.3259 0.5226 0.5226 0.6499 0.6499 0.8517 0.8517 4.8885 4.8885 5.2581 5.2581 6.0515 6.0515 6.5024 6.5024 6.5467 6.5467 6.7850 6.7850 7.0282 7.0282 7.4549 7.4549 k = 0.1348 0.2334 0.2064 ( 7962 PWs) bands (ev): -37.5512 -37.5512 -35.5483 -35.5483 -35.5460 -35.5460 -18.7960 -18.7960 -18.4217 -18.4217 -18.4127 -18.4127 -16.8054 -16.8054 -16.7917 -16.7917 -16.4458 -16.4458 -16.4278 -16.4278 -16.3986 -16.3986 -16.3936 -16.3936 -11.3864 -11.3864 -11.3171 -11.3171 -0.5041 -0.5041 -0.2766 -0.2766 0.1367 0.1367 0.3377 0.3377 0.5354 0.5354 0.6690 0.6690 0.8656 0.8656 4.8391 4.8391 5.3244 5.3244 6.0801 6.0801 6.4792 6.4792 6.5486 6.5486 6.7705 6.7705 6.9946 6.9946 7.4154 7.4154 k = 0.1277 0.2211 0.2064 ( 7958 PWs) bands (ev): -37.5512 -37.5512 -35.5484 -35.5484 -35.5460 -35.5460 -18.7956 -18.7956 -18.4210 -18.4210 -18.4127 -18.4127 -16.8053 -16.8053 -16.7912 -16.7912 -16.4459 -16.4459 -16.4273 -16.4273 -16.3981 -16.3981 -16.3930 -16.3930 -11.3912 -11.3912 -11.3181 -11.3181 -0.5228 -0.5228 -0.2824 -0.2824 0.1605 0.1605 0.3509 0.3509 0.5480 0.5480 0.6885 0.6885 0.8791 0.8791 4.7887 4.7887 5.3921 5.3921 6.1060 6.1060 6.4512 6.4512 6.5514 6.5514 6.7638 6.7638 6.9637 6.9637 7.3751 7.3751 k = 0.1206 0.2088 0.2064 ( 7958 PWs) bands (ev): -37.5513 -37.5513 -35.5485 -35.5485 -35.5460 -35.5460 -18.7953 -18.7953 -18.4203 -18.4203 -18.4128 -18.4128 -16.8053 -16.8053 -16.7907 -16.7907 -16.4460 -16.4460 -16.4269 -16.4269 -16.3977 -16.3977 -16.3924 -16.3924 -11.3960 -11.3960 -11.3192 -11.3192 -0.5413 -0.5413 -0.2895 -0.2895 0.1854 0.1854 0.3653 0.3653 0.5605 0.5605 0.7082 0.7082 0.8919 0.8919 4.7378 4.7378 5.4607 5.4607 6.1288 6.1288 6.4200 6.4200 6.5539 6.5539 6.7639 6.7639 6.9362 6.9362 7.3345 7.3345 k = 0.1135 0.1965 0.2064 ( 7954 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7950 -18.7950 -18.4196 -18.4196 -18.4128 -18.4128 -16.8053 -16.8053 -16.7903 -16.7903 -16.4460 -16.4460 -16.4264 -16.4264 -16.3972 -16.3972 -16.3918 -16.3918 -11.4007 -11.4007 -11.3201 -11.3201 -0.5597 -0.5597 -0.2976 -0.2976 0.2108 0.2108 0.3805 0.3805 0.5730 0.5730 0.7284 0.7284 0.9041 0.9041 4.6865 4.6865 5.5298 5.5298 6.1485 6.1485 6.3872 6.3872 6.5555 6.5555 6.7693 6.7693 6.9128 6.9128 7.2942 7.2942 k = 0.1064 0.1843 0.2064 ( 7958 PWs) bands (ev): -37.5513 -37.5513 -35.5486 -35.5486 -35.5460 -35.5460 -18.7947 -18.7947 -18.4189 -18.4189 -18.4129 -18.4129 -16.8052 -16.8052 -16.7898 -16.7898 -16.4461 -16.4461 -16.4260 -16.4260 -16.3968 -16.3968 -16.3912 -16.3912 -11.4052 -11.4052 -11.3211 -11.3211 -0.5776 -0.5776 -0.3064 -0.3064 0.2363 0.2363 0.3963 0.3963 0.5854 0.5854 0.7490 0.7490 0.9156 0.9156 4.6353 4.6353 5.5990 5.5990 6.1644 6.1644 6.3544 6.3544 6.5553 6.5553 6.7789 6.7789 6.8940 6.8940 7.2546 7.2546 k = 0.0993 0.1720 0.2064 ( 7958 PWs) bands (ev): -37.5514 -37.5514 -35.5487 -35.5487 -35.5460 -35.5460 -18.7944 -18.7944 -18.4182 -18.4182 -18.4130 -18.4130 -16.8052 -16.8052 -16.7894 -16.7894 -16.4462 -16.4462 -16.4256 -16.4256 -16.3964 -16.3964 -16.3906 -16.3906 -11.4096 -11.4096 -11.3220 -11.3220 -0.5949 -0.5949 -0.3156 -0.3156 0.2613 0.2613 0.4122 0.4122 0.5978 0.5978 0.7702 0.7702 0.9263 0.9263 4.5844 4.5844 5.6678 5.6678 6.1757 6.1757 6.3237 6.3237 6.5528 6.5528 6.7914 6.7914 6.8804 6.8804 7.2163 7.2163 k = 0.0922 0.1597 0.2064 ( 7964 PWs) bands (ev): -37.5514 -37.5514 -35.5488 -35.5488 -35.5461 -35.5461 -18.7941 -18.7941 -18.4176 -18.4176 -18.4130 -18.4130 -16.8051 -16.8051 -16.7891 -16.7891 -16.4463 -16.4463 -16.4252 -16.4252 -16.3960 -16.3960 -16.3901 -16.3901 -11.4138 -11.4138 -11.3229 -11.3229 -0.6116 -0.6116 -0.3250 -0.3250 0.2856 0.2856 0.4278 0.4278 0.6102 0.6102 0.7919 0.7919 0.9363 0.9363 4.5342 4.5342 5.7357 5.7357 6.1802 6.1802 6.2980 6.2980 6.5476 6.5476 6.8061 6.8061 6.8723 6.8723 7.1796 7.1796 k = 0.0851 0.1474 0.2064 ( 7952 PWs) bands (ev): -37.5515 -37.5515 -35.5488 -35.5488 -35.5461 -35.5461 -18.7938 -18.7938 -18.4170 -18.4170 -18.4131 -18.4131 -16.8051 -16.8051 -16.7887 -16.7887 -16.4463 -16.4463 -16.4248 -16.4248 -16.3956 -16.3956 -16.3896 -16.3896 -11.4178 -11.4178 -11.3238 -11.3238 -0.6275 -0.6275 -0.3343 -0.3343 0.3088 0.3088 0.4428 0.4428 0.6226 0.6226 0.8140 0.8140 0.9455 0.9455 4.4852 4.4852 5.8022 5.8022 6.1750 6.1750 6.2809 6.2809 6.5397 6.5397 6.8220 6.8220 6.8693 6.8693 7.1449 7.1449 k = 0.0780 0.1351 0.2064 ( 7964 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7936 -18.7936 -18.4164 -18.4164 -18.4132 -18.4132 -16.8050 -16.8050 -16.7883 -16.7883 -16.4464 -16.4464 -16.4245 -16.4245 -16.3953 -16.3953 -16.3891 -16.3891 -11.4216 -11.4216 -11.3246 -11.3246 -0.6425 -0.6425 -0.3435 -0.3435 0.3308 0.3308 0.4568 0.4568 0.6347 0.6347 0.8366 0.8366 0.9540 0.9540 4.4376 4.4376 5.8666 5.8666 6.1596 6.1596 6.2736 6.2736 6.5295 6.5295 6.8383 6.8383 6.8710 6.8710 7.1124 7.1124 k = 0.0709 0.1228 0.2064 ( 7958 PWs) bands (ev): -37.5515 -37.5515 -35.5489 -35.5489 -35.5461 -35.5461 -18.7933 -18.7933 -18.4158 -18.4158 -18.4132 -18.4132 -16.8050 -16.8050 -16.7880 -16.7880 -16.4464 -16.4464 -16.4242 -16.4242 -16.3950 -16.3950 -16.3886 -16.3886 -11.4251 -11.4251 -11.3253 -11.3253 -0.6565 -0.6565 -0.3524 -0.3524 0.3512 0.3512 0.4698 0.4698 0.6466 0.6466 0.8594 0.8594 0.9616 0.9616 4.3920 4.3920 5.9285 5.9285 6.1377 6.1377 6.2729 6.2729 6.5175 6.5175 6.8542 6.8542 6.8767 6.8767 7.0824 7.0824 k = 0.0638 0.1106 0.2064 ( 7966 PWs) bands (ev): -37.5515 -37.5515 -35.5490 -35.5490 -35.5461 -35.5461 -18.7931 -18.7931 -18.4153 -18.4153 -18.4133 -18.4133 -16.8050 -16.8050 -16.7877 -16.7877 -16.4465 -16.4465 -16.4239 -16.4239 -16.3947 -16.3947 -16.3882 -16.3882 -11.4283 -11.4283 -11.3260 -11.3260 -0.6694 -0.6694 -0.3607 -0.3607 0.3699 0.3699 0.4816 0.4816 0.6579 0.6579 0.8820 0.8820 0.9685 0.9685 4.3487 4.3487 5.9871 5.9871 6.1135 6.1135 6.2752 6.2752 6.5045 6.5045 6.8688 6.8688 6.8855 6.8855 7.0551 7.0551 k = 0.0567 0.0983 0.2064 ( 7970 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7929 -18.7929 -18.4149 -18.4149 -18.4133 -18.4133 -16.8049 -16.8049 -16.7875 -16.7875 -16.4465 -16.4465 -16.4236 -16.4236 -16.3944 -16.3944 -16.3878 -16.3878 -11.4313 -11.4313 -11.3267 -11.3267 -0.6811 -0.6811 -0.3685 -0.3685 0.3869 0.3869 0.4921 0.4921 0.6684 0.6684 0.9040 0.9040 0.9747 0.9747 4.3083 4.3083 6.0416 6.0416 6.0900 6.0900 6.2784 6.2784 6.4909 6.4909 6.8815 6.8815 6.8968 6.8968 7.0307 7.0307 k = 0.0496 0.0860 0.2064 ( 7982 PWs) bands (ev): -37.5516 -37.5516 -35.5490 -35.5490 -35.5461 -35.5461 -18.7928 -18.7928 -18.4145 -18.4145 -18.4133 -18.4133 -16.8049 -16.8049 -16.7872 -16.7872 -16.4465 -16.4465 -16.4234 -16.4234 -16.3942 -16.3942 -16.3875 -16.3875 -11.4339 -11.4339 -11.3272 -11.3272 -0.6916 -0.6916 -0.3756 -0.3756 0.4019 0.4019 0.5014 0.5014 0.6781 0.6781 0.9249 0.9249 0.9803 0.9803 4.2711 4.2711 6.0644 6.0644 6.0954 6.0954 6.2817 6.2817 6.4773 6.4773 6.8923 6.8923 6.9088 6.9088 7.0095 7.0095 k = 0.0426 0.0737 0.2064 ( 7980 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7926 -18.7926 -18.4141 -18.4141 -18.4134 -18.4134 -16.8049 -16.8049 -16.7870 -16.7870 -16.4466 -16.4466 -16.4232 -16.4232 -16.3939 -16.3939 -16.3871 -16.3871 -11.4362 -11.4362 -11.3277 -11.3277 -0.7008 -0.7008 -0.3819 -0.3819 0.4150 0.4150 0.5095 0.5095 0.6867 0.6867 0.9440 0.9440 0.9856 0.9856 4.2377 4.2377 6.0450 6.0450 6.1405 6.1405 6.2846 6.2846 6.4639 6.4639 6.9017 6.9017 6.9200 6.9200 6.9915 6.9915 k = 0.0355 0.0614 0.2064 ( 7976 PWs) bands (ev): -37.5516 -37.5516 -35.5491 -35.5491 -35.5461 -35.5461 -18.7925 -18.7925 -18.4138 -18.4138 -18.4133 -18.4133 -16.8049 -16.8049 -16.7868 -16.7868 -16.4466 -16.4466 -16.4230 -16.4230 -16.3937 -16.3937 -16.3868 -16.3868 -11.4382 -11.4382 -11.3281 -11.3281 -0.7087 -0.7087 -0.3873 -0.3873 0.4260 0.4260 0.5164 0.5164 0.6942 0.6942 0.9603 0.9603 0.9909 0.9909 4.2086 4.2086 6.0272 6.0272 6.1815 6.1815 6.2871 6.2871 6.4509 6.4509 6.9096 6.9096 6.9290 6.9290 6.9776 6.9776 k = 0.0284 0.0491 0.2064 ( 7978 PWs) bands (ev): -37.5517 -37.5517 -35.5491 -35.5491 -35.5461 -35.5461 -18.7924 -18.7924 -18.4137 -18.4137 -18.4133 -18.4133 -16.8049 -16.8049 -16.7867 -16.7867 -16.4466 -16.4466 -16.4229 -16.4229 -16.3936 -16.3936 -16.3866 -16.3866 -11.4398 -11.4398 -11.3285 -11.3285 -0.7152 -0.7152 -0.3918 -0.3918 0.4349 0.4349 0.5222 0.5222 0.7004 0.7004 0.9727 0.9727 0.9969 0.9969 4.1841 4.1841 6.0122 6.0122 6.2172 6.2172 6.2892 6.2892 6.4385 6.4385 6.9160 6.9160 6.9343 6.9343 6.9687 6.9687 k = 0.0213 0.0369 0.2064 ( 7986 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7923 -18.7923 -18.4136 -18.4136 -18.4131 -18.4131 -16.8049 -16.8049 -16.7866 -16.7866 -16.4467 -16.4467 -16.4228 -16.4228 -16.3935 -16.3935 -16.3864 -16.3864 -11.4411 -11.4411 -11.3288 -11.3288 -0.7203 -0.7203 -0.3954 -0.3954 0.4418 0.4418 0.5268 0.5268 0.7053 0.7053 0.9805 0.9805 1.0039 1.0039 4.1646 4.1646 6.0003 6.0003 6.2468 6.2468 6.2909 6.2909 6.4270 6.4270 6.9205 6.9205 6.9349 6.9349 6.9658 6.9658 k = 0.0142 0.0246 0.2064 ( 7994 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7865 -16.7865 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3863 -16.3863 -11.4420 -11.4420 -11.3290 -11.3290 -0.7240 -0.7240 -0.3980 -0.3980 0.4466 0.4466 0.5302 0.5302 0.7088 0.7088 0.9847 0.9847 1.0105 1.0105 4.1504 4.1504 5.9917 5.9917 6.2693 6.2693 6.2928 6.2928 6.4170 6.4170 6.9231 6.9231 6.9329 6.9329 6.9667 6.9667 k = 0.0071 0.0123 0.2064 ( 7994 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4130 -18.4130 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3862 -16.3862 -11.4426 -11.4426 -11.3291 -11.3291 -0.7262 -0.7262 -0.3995 -0.3995 0.4495 0.4495 0.5322 0.5322 0.7110 0.7110 0.9868 0.9868 1.0151 1.0151 4.1418 4.1418 5.9865 5.9865 6.2822 6.2822 6.2958 6.2958 6.4096 6.4096 6.9239 6.9239 6.9315 6.9315 6.9682 6.9682 k = 0.0000 0.0000 0.2064 ( 8002 PWs) bands (ev): -37.5517 -37.5517 -35.5492 -35.5492 -35.5461 -35.5461 -18.7922 -18.7922 -18.4136 -18.4136 -18.4129 -18.4129 -16.8049 -16.8049 -16.7864 -16.7864 -16.4467 -16.4467 -16.4227 -16.4227 -16.3934 -16.3934 -16.3862 -16.3862 -11.4428 -11.4428 -11.3291 -11.3291 -0.7269 -0.7269 -0.4000 -0.4000 0.4505 0.4505 0.5329 0.5329 0.7117 0.7117 0.9874 0.9874 1.0167 1.0167 4.1389 4.1389 5.9847 5.9847 6.2855 6.2855 6.2982 6.2982 6.4069 6.4069 6.9238 6.9238 6.9312 6.9312 6.9689 6.9689 k = 0.5000 0.2887 0.2064 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5490 -0.5490 -0.3514 -0.3514 0.1206 0.1206 0.3601 0.3601 0.3695 0.3695 0.6057 0.6057 0.6242 0.6242 4.2242 4.2242 5.3334 5.3334 6.0847 6.0847 6.2261 6.2261 6.8532 6.8532 7.3801 7.3801 7.4201 7.4201 7.7012 7.7012 k = 0.5000 0.2887 0.1927 ( 7972 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5493 -0.5493 -0.3508 -0.3508 0.1203 0.1203 0.3598 0.3598 0.3698 0.3698 0.6056 0.6056 0.6243 0.6243 4.2247 4.2247 5.3338 5.3338 6.0847 6.0847 6.2213 6.2213 6.8588 6.8588 7.3696 7.3696 7.4299 7.4299 7.7008 7.7008 k = 0.5000 0.2887 0.1789 ( 7962 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5502 -0.5502 -0.3490 -0.3490 0.1193 0.1193 0.3588 0.3588 0.3706 0.3706 0.6053 0.6053 0.6246 0.6246 4.2264 4.2264 5.3350 5.3350 6.0847 6.0847 6.2077 6.2077 6.8749 6.8749 7.3495 7.3495 7.4479 7.4479 7.6995 7.6995 k = 0.5000 0.2887 0.1652 ( 7962 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5516 -0.5516 -0.3462 -0.3462 0.1178 0.1178 0.3574 0.3574 0.3717 0.3717 0.6048 0.6048 0.6251 0.6251 4.2291 4.2291 5.3370 5.3370 6.0847 6.0847 6.1865 6.1865 6.9001 6.9001 7.3271 7.3271 7.4670 7.4670 7.6975 7.6975 k = 0.5000 0.2887 0.1514 ( 7968 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4055 -16.4055 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5534 -0.5534 -0.3423 -0.3423 0.1157 0.1157 0.3556 0.3556 0.3730 0.3730 0.6041 0.6041 0.6258 0.6258 4.2326 4.2326 5.3399 5.3399 6.0847 6.0847 6.1597 6.1597 6.9323 6.9323 7.3039 7.3039 7.4855 7.4855 7.6949 7.6949 k = 0.5000 0.2887 0.1376 ( 7952 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5554 -0.5554 -0.3378 -0.3378 0.1132 0.1132 0.3536 0.3536 0.3745 0.3745 0.6033 0.6033 0.6266 0.6266 4.2369 4.2369 5.3437 5.3437 6.0847 6.0847 6.1292 6.1292 6.9698 6.9698 7.2806 7.2806 7.5028 7.5028 7.6917 7.6917 k = 0.5000 0.2887 0.1239 ( 7948 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4326 -18.4326 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5577 -0.5577 -0.3327 -0.3327 0.1104 0.1104 0.3515 0.3515 0.3759 0.3759 0.6024 0.6024 0.6275 0.6275 4.2418 4.2418 5.3484 5.3484 6.0841 6.0841 6.0971 6.0971 7.0106 7.0106 7.2577 7.2577 7.5183 7.5183 7.6883 7.6883 k = 0.5000 0.2887 0.1101 ( 7964 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5601 -0.5601 -0.3272 -0.3272 0.1074 0.1074 0.3493 0.3493 0.3774 0.3774 0.6014 0.6014 0.6285 0.6285 4.2470 4.2470 5.3539 5.3539 6.0620 6.0620 6.0856 6.0856 7.0532 7.0532 7.2358 7.2358 7.5315 7.5315 7.6850 7.6850 k = 0.5000 0.2887 0.0963 ( 7960 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4327 -18.4327 -18.4110 -18.4110 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5624 -0.5624 -0.3217 -0.3217 0.1042 0.1042 0.3471 0.3471 0.3788 0.3788 0.6005 0.6005 0.6295 0.6295 4.2523 4.2523 5.3602 5.3602 6.0291 6.0291 6.0853 6.0853 7.0960 7.0960 7.2156 7.2156 7.5418 7.5418 7.6822 7.6822 k = 0.5000 0.2887 0.0826 ( 7956 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4326 -18.4326 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5646 -0.5646 -0.3163 -0.3163 0.1011 0.1011 0.3450 0.3450 0.3800 0.3800 0.5996 0.5996 0.6305 0.6305 4.2575 4.2575 5.3672 5.3672 5.9973 5.9973 6.0853 6.0853 7.1368 7.1368 7.1984 7.1984 7.5485 7.5485 7.6802 7.6802 k = 0.5000 0.2887 0.0688 ( 7974 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4376 -16.4376 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5665 -0.5665 -0.3113 -0.3113 0.0982 0.0982 0.3430 0.3430 0.3812 0.3812 0.5987 0.5987 0.6314 0.6314 4.2623 4.2623 5.3745 5.3745 5.9679 5.9679 6.0853 6.0853 7.1643 7.1643 7.1948 7.1948 7.5512 7.5512 7.6794 7.6794 k = 0.5000 0.2887 0.0551 ( 7982 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5682 -0.5682 -0.3069 -0.3069 0.0956 0.0956 0.3412 0.3412 0.3822 0.3822 0.5980 0.5980 0.6322 0.6322 4.2666 4.2666 5.3816 5.3816 5.9419 5.9419 6.0853 6.0853 7.1591 7.1591 7.2231 7.2231 7.5501 7.5501 7.6798 7.6798 k = 0.5000 0.2887 0.0413 ( 7982 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4111 -18.4111 -16.8048 -16.8048 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5696 -0.5696 -0.3032 -0.3032 0.0935 0.0935 0.3398 0.3398 0.3830 0.3830 0.5974 0.5974 0.6328 0.6328 4.2701 4.2701 5.3881 5.3881 5.9203 5.9203 6.0854 6.0854 7.1491 7.1491 7.2543 7.2543 7.5461 7.5461 7.6809 7.6809 k = 0.5000 0.2887 0.0275 ( 7966 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5706 -0.5706 -0.3005 -0.3005 0.0918 0.0918 0.3387 0.3387 0.3836 0.3836 0.5969 0.5969 0.6333 0.6333 4.2728 4.2728 5.3934 5.3934 5.9040 5.9040 6.0854 6.0854 7.1411 7.1411 7.2799 7.2799 7.5407 7.5407 7.6822 7.6822 k = 0.5000 0.2887 0.0138 ( 7962 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8009 -18.8009 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5712 -0.5712 -0.2988 -0.2988 0.0908 0.0908 0.3380 0.3380 0.3839 0.3839 0.5967 0.5967 0.6336 0.6336 4.2744 4.2744 5.3968 5.3968 5.8938 5.8938 6.0854 6.0854 7.1362 7.1362 7.2967 7.2967 7.5361 7.5361 7.6832 7.6832 k = 0.5000 0.2887-0.0000 ( 7970 PWs) bands (ev): -37.5506 -37.5506 -35.5471 -35.5471 -35.5461 -35.5461 -18.8010 -18.8010 -18.4327 -18.4327 -18.4110 -18.4110 -16.8047 -16.8047 -16.7999 -16.7999 -16.4424 -16.4424 -16.4377 -16.4377 -16.4054 -16.4054 -16.4005 -16.4005 -11.3152 -11.3152 -11.3032 -11.3032 -0.5714 -0.5714 -0.2982 -0.2982 0.0905 0.0905 0.3378 0.3378 0.3840 0.3840 0.5966 0.5966 0.6338 0.6338 4.2749 4.2749 5.3980 5.3980 5.8904 5.8904 6.0854 6.0854 7.1345 7.1345 7.3026 7.3026 7.5343 7.5343 7.6836 7.6836 k = 0.3333 0.5774-0.0000 ( 7944 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2959 -0.2959 -0.2608 -0.2608 0.0131 0.0131 0.1676 0.1676 0.2581 0.2581 0.4804 0.4804 0.5283 0.5283 4.8177 4.8177 4.8201 4.8201 5.5716 5.5716 6.9172 6.9172 6.9490 6.9490 7.0185 7.0185 7.8326 7.8326 7.8331 7.8331 k = 0.3333 0.5774 0.0138 ( 7938 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2957 -0.2957 -0.2608 -0.2608 0.0131 0.0131 0.1662 0.1662 0.2593 0.2593 0.4805 0.4805 0.5284 0.5284 4.8175 4.8175 4.8199 4.8199 5.5709 5.5709 6.9175 6.9175 6.9494 6.9494 7.0210 7.0210 7.8322 7.8322 7.8327 7.8327 k = 0.3333 0.5774 0.0275 ( 7926 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4376 -16.4376 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2952 -0.2952 -0.2609 -0.2609 0.0131 0.0131 0.1624 0.1624 0.2624 0.2624 0.4807 0.4807 0.5288 0.5288 4.8170 4.8170 4.8195 4.8195 5.5689 5.5689 6.9185 6.9185 6.9506 6.9506 7.0286 7.0286 7.8308 7.8308 7.8313 7.8313 k = 0.3333 0.5774 0.0413 ( 7932 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2945 -0.2945 -0.2610 -0.2610 0.0130 0.0130 0.1567 0.1567 0.2671 0.2671 0.4809 0.4809 0.5295 0.5295 4.8162 4.8162 4.8189 4.8189 5.5656 5.5656 6.9200 6.9200 6.9526 6.9526 7.0409 7.0409 7.8286 7.8286 7.8290 7.8290 k = 0.3333 0.5774 0.0551 ( 7932 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2935 -0.2935 -0.2612 -0.2612 0.0129 0.0129 0.1496 0.1496 0.2727 0.2727 0.4812 0.4812 0.5305 0.5305 4.8152 4.8152 4.8180 4.8180 5.5613 5.5613 6.9221 6.9221 6.9551 6.9551 7.0578 7.0578 7.8257 7.8257 7.8260 7.8260 k = 0.3333 0.5774 0.0688 ( 7926 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4376 -16.4376 -16.4074 -16.4074 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2923 -0.2923 -0.2615 -0.2615 0.0128 0.0128 0.1417 0.1417 0.2787 0.2787 0.4817 0.4817 0.5316 0.5316 4.8139 4.8139 4.8169 4.8169 5.5562 5.5562 6.9246 6.9246 6.9582 6.9582 7.0788 7.0788 7.8221 7.8221 7.8223 7.8223 k = 0.3333 0.5774 0.0826 ( 7929 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4074 -16.4074 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2909 -0.2909 -0.2617 -0.2617 0.0127 0.0127 0.1335 0.1335 0.2847 0.2847 0.4821 0.4821 0.5329 0.5329 4.8125 4.8125 4.8156 4.8156 5.5505 5.5505 6.9275 6.9275 6.9617 6.9617 7.1033 7.1033 7.8180 7.8180 7.8181 7.8181 k = 0.3333 0.5774 0.0963 ( 7932 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8031 -16.8031 -16.8028 -16.8028 -16.4412 -16.4412 -16.4376 -16.4376 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2894 -0.2894 -0.2620 -0.2620 0.0127 0.0127 0.1253 0.1253 0.2906 0.2906 0.4826 0.4826 0.5343 0.5343 4.8110 4.8110 4.8143 4.8143 5.5445 5.5445 6.9305 6.9305 6.9654 6.9654 7.1306 7.1306 7.8136 7.8136 7.8136 7.8136 k = 0.3333 0.5774 0.1101 ( 7950 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2878 -0.2878 -0.2623 -0.2623 0.0127 0.0127 0.1173 0.1173 0.2961 0.2961 0.4831 0.4831 0.5357 0.5357 4.8094 4.8094 4.8130 4.8130 5.5384 5.5384 6.9336 6.9336 6.9692 6.9692 7.1600 7.1600 7.8089 7.8089 7.8090 7.8090 k = 0.3333 0.5774 0.1239 ( 7941 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2863 -0.2863 -0.2626 -0.2626 0.0128 0.0128 0.1098 0.1098 0.3010 0.3010 0.4836 0.4836 0.5370 0.5370 4.8079 4.8079 4.8117 4.8117 5.5325 5.5325 6.9367 6.9367 6.9730 6.9730 7.1904 7.1904 7.8044 7.8044 7.8045 7.8045 k = 0.3333 0.5774 0.1376 ( 7947 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2848 -0.2848 -0.2629 -0.2629 0.0130 0.0130 0.1030 0.1030 0.3053 0.3053 0.4841 0.4841 0.5383 0.5383 4.8065 4.8065 4.8105 4.8105 5.5271 5.5271 6.9396 6.9396 6.9765 6.9765 7.2205 7.2205 7.8001 7.8001 7.8003 7.8003 k = 0.3333 0.5774 0.1514 ( 7959 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4046 -16.4046 -11.2998 -11.2998 -11.2994 -11.2994 -0.2835 -0.2835 -0.2632 -0.2632 0.0132 0.0132 0.0971 0.0971 0.3089 0.3089 0.4845 0.4845 0.5394 0.5394 4.8052 4.8052 4.8094 4.8094 5.5224 5.5224 6.9422 6.9422 6.9796 6.9796 7.2491 7.2491 7.7963 7.7963 7.7965 7.7965 k = 0.3333 0.5774 0.1652 ( 7956 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4046 -16.4046 -11.2998 -11.2998 -11.2994 -11.2994 -0.2824 -0.2824 -0.2633 -0.2633 0.0135 0.0135 0.0923 0.0923 0.3118 0.3118 0.4848 0.4848 0.5404 0.5404 4.8042 4.8042 4.8085 4.8085 5.5185 5.5185 6.9444 6.9444 6.9822 6.9822 7.2743 7.2743 7.7931 7.7931 7.7934 7.7934 k = 0.3333 0.5774 0.1789 ( 7947 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8028 -16.8028 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2815 -0.2815 -0.2635 -0.2635 0.0137 0.0137 0.0887 0.0887 0.3139 0.3139 0.4851 0.4851 0.5411 0.5411 4.8034 4.8034 4.8078 4.8078 5.5157 5.5157 6.9460 6.9460 6.9842 6.9842 7.2942 7.2942 7.7908 7.7908 7.7910 7.7910 k = 0.3333 0.5774 0.1927 ( 7950 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4132 -18.4132 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4045 -16.4045 -11.2998 -11.2998 -11.2994 -11.2994 -0.2810 -0.2810 -0.2636 -0.2636 0.0139 0.0139 0.0865 0.0865 0.3151 0.3151 0.4852 0.4852 0.5415 0.5415 4.8029 4.8029 4.8074 4.8074 5.5139 5.5139 6.9470 6.9470 6.9854 6.9854 7.3071 7.3071 7.7893 7.7893 7.7896 7.7896 k = 0.3333 0.5774 0.2064 ( 7968 PWs) bands (ev): -37.5504 -37.5504 -35.5464 -35.5464 -35.5464 -35.5464 -18.8018 -18.8018 -18.4328 -18.4328 -18.4133 -18.4133 -16.8032 -16.8032 -16.8029 -16.8029 -16.4412 -16.4412 -16.4377 -16.4377 -16.4075 -16.4075 -16.4046 -16.4046 -11.2998 -11.2998 -11.2994 -11.2994 -0.2808 -0.2808 -0.2636 -0.2636 0.0139 0.0139 0.0857 0.0857 0.3155 0.3155 0.4853 0.4853 0.5416 0.5416 4.8028 4.8028 4.8073 4.8073 5.5133 5.5133 6.9473 6.9473 6.9858 6.9858 7.3115 7.3115 7.7888 7.7888 7.7890 7.7890 Writing output data file Ca3SiBr2.save init_run : 0.50s CPU 1.46s WALL ( 1 calls) electrons : 412.74s CPU 419.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 412.73s CPU 419.00s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.12s WALL ( 276 calls) cegterg : 395.71s CPU 399.60s WALL ( 891 calls) Called by sum_band: Called by *egterg: h_psi : 193.36s CPU 195.74s WALL ( 16470 calls) s_psi : 12.83s CPU 12.97s WALL ( 16470 calls) g_psi : 0.71s CPU 0.72s WALL ( 15303 calls) cdiaghg : 140.55s CPU 142.15s WALL ( 15579 calls) cegterg:over : 20.38s CPU 20.52s WALL ( 15303 calls) cegterg:upda : 24.15s CPU 24.16s WALL ( 15303 calls) cegterg:last : 8.32s CPU 8.32s WALL ( 1878 calls) cdiaghg:chol : 7.96s CPU 8.17s WALL ( 15579 calls) cdiaghg:inve : 5.75s CPU 5.66s WALL ( 15579 calls) cdiaghg:para : 8.86s CPU 9.16s WALL ( 31158 calls) Called by h_psi: h_psi:vloc : 162.98s CPU 165.34s WALL ( 16470 calls) h_psi:vnl : 29.45s CPU 29.54s WALL ( 16470 calls) add_vuspsi : 14.74s CPU 15.01s WALL ( 16470 calls) General routines calbec : 14.66s CPU 14.48s WALL ( 16470 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 151.82s CPU 153.80s WALL ( 1316128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.35s WALL ( 552 calls) Parallel routines fft_scatter : 53.21s CPU 54.00s WALL ( 1316151 calls) PWSCF : 7m15.06s CPU 8m 0.65s WALL This run was terminated on: 15:53:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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