Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:10 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: ./SrxZnSbx2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 25 7 1963 1028 159 Max 40 26 8 1971 1039 168 Sum 1381 913 253 70709 37179 5805 bravais-lattice index = 14 lattice parameter (alat) = 8.5038 a.u. unit-cell volume = 913.1548 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.503767 celldm(2)= 1.000000 celldm(3)= 1.714667 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.714667 ) 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 0.583204 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Sb 5.00 121.76000 Sb( 1.00) Sr 10.00 87.62000 Sr( 1.00) Zn 12.00 65.40900 Zn( 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= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033784 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033784 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033784 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033784 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033784 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033784 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033784 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033784 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033784 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033784 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033784 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033784 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033784 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0033784 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0033784 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0033784 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0033784 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0033784 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0033784 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0033784 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0033784 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0033784 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0138858), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0277716), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0416574), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0555432), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.0694290), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.0833148), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.0972006), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1110864), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1249722), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1388580), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.1527438), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.1666296), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.1805154), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.1944012), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2082870), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2221728), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2360587), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.2499445), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.2638303), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.2777161), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.2916019), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.2916019), wk = 0.0033784 k( 139) = ( 0.0121951 0.0070409 0.2916019), wk = 0.0033784 k( 140) = ( 0.0243902 0.0140817 0.2916019), wk = 0.0033784 k( 141) = ( 0.0365854 0.0211226 0.2916019), wk = 0.0033784 k( 142) = ( 0.0487805 0.0281634 0.2916019), wk = 0.0033784 k( 143) = ( 0.0609756 0.0352043 0.2916019), wk = 0.0033784 k( 144) = ( 0.0731707 0.0422451 0.2916019), wk = 0.0033784 k( 145) = ( 0.0853658 0.0492860 0.2916019), wk = 0.0033784 k( 146) = ( 0.0975610 0.0563269 0.2916019), wk = 0.0033784 k( 147) = ( 0.1097561 0.0633677 0.2916019), wk = 0.0033784 k( 148) = ( 0.1219512 0.0704086 0.2916019), wk = 0.0033784 k( 149) = ( 0.1341463 0.0774494 0.2916019), wk = 0.0033784 k( 150) = ( 0.1463415 0.0844903 0.2916019), wk = 0.0033784 k( 151) = ( 0.1585366 0.0915311 0.2916019), wk = 0.0033784 k( 152) = ( 0.1707317 0.0985720 0.2916019), wk = 0.0033784 k( 153) = ( 0.1829268 0.1056129 0.2916019), wk = 0.0033784 k( 154) = ( 0.1951219 0.1126537 0.2916019), wk = 0.0033784 k( 155) = ( 0.2073171 0.1196946 0.2916019), wk = 0.0033784 k( 156) = ( 0.2195122 0.1267354 0.2916019), wk = 0.0033784 k( 157) = ( 0.2317073 0.1337763 0.2916019), wk = 0.0033784 k( 158) = ( 0.2439024 0.1408171 0.2916019), wk = 0.0033784 k( 159) = ( 0.2560976 0.1478580 0.2916019), wk = 0.0033784 k( 160) = ( 0.2682927 0.1548989 0.2916019), wk = 0.0033784 k( 161) = ( 0.2804878 0.1619397 0.2916019), wk = 0.0033784 k( 162) = ( 0.2926829 0.1689806 0.2916019), wk = 0.0033784 k( 163) = ( 0.3048781 0.1760214 0.2916019), wk = 0.0033784 k( 164) = ( 0.3170732 0.1830623 0.2916019), wk = 0.0033784 k( 165) = ( 0.3292683 0.1901031 0.2916019), wk = 0.0033784 k( 166) = ( 0.3414634 0.1971440 0.2916019), wk = 0.0033784 k( 167) = ( 0.3536585 0.2041849 0.2916019), wk = 0.0033784 k( 168) = ( 0.3658537 0.2112257 0.2916019), wk = 0.0033784 k( 169) = ( 0.3780488 0.2182666 0.2916019), wk = 0.0033784 k( 170) = ( 0.3902439 0.2253074 0.2916019), wk = 0.0033784 k( 171) = ( 0.4024390 0.2323483 0.2916019), wk = 0.0033784 k( 172) = ( 0.4146341 0.2393891 0.2916019), wk = 0.0033784 k( 173) = ( 0.4268293 0.2464300 0.2916019), wk = 0.0033784 k( 174) = ( 0.4390244 0.2534708 0.2916019), wk = 0.0033784 k( 175) = ( 0.4512195 0.2605117 0.2916019), wk = 0.0033784 k( 176) = ( 0.4634146 0.2675526 0.2916019), wk = 0.0033784 k( 177) = ( 0.4756098 0.2745934 0.2916019), wk = 0.0033784 k( 178) = ( 0.4878049 0.2816343 0.2916019), wk = 0.0033784 k( 179) = ( 0.5000000 0.2886751 0.2916019), wk = 0.0033784 k( 180) = ( 0.5000000 0.2886751 0.2916019), wk = 0.0033784 k( 181) = ( 0.4930556 0.3007033 0.2916019), wk = 0.0033784 k( 182) = ( 0.4861111 0.3127314 0.2916019), wk = 0.0033784 k( 183) = ( 0.4791667 0.3247595 0.2916019), wk = 0.0033784 k( 184) = ( 0.4722222 0.3367877 0.2916019), wk = 0.0033784 k( 185) = ( 0.4652778 0.3488158 0.2916019), wk = 0.0033784 k( 186) = ( 0.4583333 0.3608439 0.2916019), wk = 0.0033784 k( 187) = ( 0.4513889 0.3728720 0.2916019), wk = 0.0033784 k( 188) = ( 0.4444444 0.3849002 0.2916019), wk = 0.0033784 k( 189) = ( 0.4375000 0.3969283 0.2916019), wk = 0.0033784 k( 190) = ( 0.4305556 0.4089564 0.2916019), wk = 0.0033784 k( 191) = ( 0.4236111 0.4209846 0.2916019), wk = 0.0033784 k( 192) = ( 0.4166667 0.4330127 0.2916019), wk = 0.0033784 k( 193) = ( 0.4097222 0.4450408 0.2916019), wk = 0.0033784 k( 194) = ( 0.4027778 0.4570690 0.2916019), wk = 0.0033784 k( 195) = ( 0.3958333 0.4690971 0.2916019), wk = 0.0033784 k( 196) = ( 0.3888889 0.4811252 0.2916019), wk = 0.0033784 k( 197) = ( 0.3819444 0.4931534 0.2916019), wk = 0.0033784 k( 198) = ( 0.3750000 0.5051815 0.2916019), wk = 0.0033784 k( 199) = ( 0.3680556 0.5172096 0.2916019), wk = 0.0033784 k( 200) = ( 0.3611111 0.5292377 0.2916019), wk = 0.0033784 k( 201) = ( 0.3541667 0.5412659 0.2916019), wk = 0.0033784 k( 202) = ( 0.3472222 0.5532940 0.2916019), wk = 0.0033784 k( 203) = ( 0.3402778 0.5653221 0.2916019), wk = 0.0033784 k( 204) = ( 0.3333333 0.5773503 0.2916019), wk = 0.0033784 k( 205) = ( 0.3333333 0.5773503 0.2916019), wk = 0.0033784 k( 206) = ( 0.3262411 0.5650662 0.2916019), wk = 0.0033784 k( 207) = ( 0.3191489 0.5527822 0.2916019), wk = 0.0033784 k( 208) = ( 0.3120567 0.5404981 0.2916019), wk = 0.0033784 k( 209) = ( 0.3049645 0.5282141 0.2916019), wk = 0.0033784 k( 210) = ( 0.2978723 0.5159300 0.2916019), wk = 0.0033784 k( 211) = ( 0.2907801 0.5036460 0.2916019), wk = 0.0033784 k( 212) = ( 0.2836879 0.4913619 0.2916019), wk = 0.0033784 k( 213) = ( 0.2765957 0.4790779 0.2916019), wk = 0.0033784 k( 214) = ( 0.2695035 0.4667938 0.2916019), wk = 0.0033784 k( 215) = ( 0.2624113 0.4545098 0.2916019), wk = 0.0033784 k( 216) = ( 0.2553191 0.4422257 0.2916019), wk = 0.0033784 k( 217) = ( 0.2482270 0.4299417 0.2916019), wk = 0.0033784 k( 218) = ( 0.2411348 0.4176576 0.2916019), wk = 0.0033784 k( 219) = ( 0.2340425 0.4053736 0.2916019), wk = 0.0033784 k( 220) = ( 0.2269503 0.3930895 0.2916019), wk = 0.0033784 k( 221) = ( 0.2198582 0.3808055 0.2916019), wk = 0.0033784 k( 222) = ( 0.2127660 0.3685215 0.2916019), wk = 0.0033784 k( 223) = ( 0.2056738 0.3562374 0.2916019), wk = 0.0033784 k( 224) = ( 0.1985816 0.3439534 0.2916019), wk = 0.0033784 k( 225) = ( 0.1914894 0.3316693 0.2916019), wk = 0.0033784 k( 226) = ( 0.1843972 0.3193852 0.2916019), wk = 0.0033784 k( 227) = ( 0.1773050 0.3071012 0.2916019), wk = 0.0033784 k( 228) = ( 0.1702128 0.2948172 0.2916019), wk = 0.0033784 k( 229) = ( 0.1631206 0.2825331 0.2916019), wk = 0.0033784 k( 230) = ( 0.1560284 0.2702491 0.2916019), wk = 0.0033784 k( 231) = ( 0.1489362 0.2579650 0.2916019), wk = 0.0033784 k( 232) = ( 0.1418440 0.2456810 0.2916019), wk = 0.0033784 k( 233) = ( 0.1347518 0.2333969 0.2916019), wk = 0.0033784 k( 234) = ( 0.1276596 0.2211129 0.2916019), wk = 0.0033784 k( 235) = ( 0.1205674 0.2088288 0.2916019), wk = 0.0033784 k( 236) = ( 0.1134752 0.1965448 0.2916019), wk = 0.0033784 k( 237) = ( 0.1063830 0.1842607 0.2916019), wk = 0.0033784 k( 238) = ( 0.0992908 0.1719767 0.2916019), wk = 0.0033784 k( 239) = ( 0.0921986 0.1596926 0.2916019), wk = 0.0033784 k( 240) = ( 0.0851064 0.1474086 0.2916019), wk = 0.0033784 k( 241) = ( 0.0780142 0.1351245 0.2916019), wk = 0.0033784 k( 242) = ( 0.0709220 0.1228405 0.2916019), wk = 0.0033784 k( 243) = ( 0.0638298 0.1105564 0.2916019), wk = 0.0033784 k( 244) = ( 0.0567376 0.0982724 0.2916019), wk = 0.0033784 k( 245) = ( 0.0496454 0.0859883 0.2916019), wk = 0.0033784 k( 246) = ( 0.0425532 0.0737043 0.2916019), wk = 0.0033784 k( 247) = ( 0.0354610 0.0614202 0.2916019), wk = 0.0033784 k( 248) = ( 0.0283688 0.0491362 0.2916019), wk = 0.0033784 k( 249) = ( 0.0212766 0.0368522 0.2916019), wk = 0.0033784 k( 250) = ( 0.0141844 0.0245681 0.2916019), wk = 0.0033784 k( 251) = ( 0.0070922 0.0122841 0.2916019), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.2916019), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2916019), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.2777161), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.2638303), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.2499445), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.2360587), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.2221728), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.2082870), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.1944012), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.1805154), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.1666296), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.1527438), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.1388580), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.1249722), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 0.1110864), wk = 0.0033784 k( 267) = ( 0.5000000 0.2886751 0.0972006), wk = 0.0033784 k( 268) = ( 0.5000000 0.2886751 0.0833148), wk = 0.0033784 k( 269) = ( 0.5000000 0.2886751 0.0694290), wk = 0.0033784 k( 270) = ( 0.5000000 0.2886751 0.0555432), wk = 0.0033784 k( 271) = ( 0.5000000 0.2886751 0.0416574), wk = 0.0033784 k( 272) = ( 0.5000000 0.2886751 0.0277716), wk = 0.0033784 k( 273) = ( 0.5000000 0.2886751 0.0138858), wk = 0.0033784 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.0138858), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.0277716), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.0416574), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.0555432), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.0694290), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.0833148), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.0972006), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.1110864), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.1249722), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.1388580), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.1527438), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.1666296), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.1805154), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.1944012), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.2082870), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.2221728), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.2360587), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.2499445), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.2638303), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.2777161), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.2916019), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0033784 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0033784 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0033784 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0033784 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0033784 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0033784 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0033784 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.1585366 0.0000000 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0033784 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0033784 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0033784 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0033784 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0033784 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0033784 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0033784 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0033784 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0033784 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0033784 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4268293 0.0000000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0033784 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033784 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033784 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033784 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033784 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033784 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033784 k( 57) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033784 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033784 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033784 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0033784 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0033784 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0033784 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0033784 k( 73) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0033784 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2695035 0.2695036 0.0000000), wk = 0.0033784 k( 78) = ( 0.2624113 0.2624114 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0033784 k( 80) = ( 0.2482270 0.2482270 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2411348 0.2411348 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2269503 0.2269503 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0033784 k( 85) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0033784 k( 86) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0033784 k( 97) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0033784 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0033784 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0033784 k( 105) = ( 0.0709220 0.0709220 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0033784 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0033784 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0033784 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0033784 k( 157) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033784 k( 158) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0033784 k( 159) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0033784 k( 160) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0033784 k( 161) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0033784 k( 162) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0033784 k( 163) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0033784 k( 164) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0033784 k( 165) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0033784 k( 166) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0033784 k( 167) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0033784 k( 168) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0033784 k( 169) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 180) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 181) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033784 k( 182) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033784 k( 183) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033784 k( 184) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033784 k( 185) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033784 k( 186) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033784 k( 187) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033784 k( 188) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033784 k( 189) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033784 k( 190) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033784 k( 191) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033784 k( 192) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033784 k( 193) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033784 k( 194) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033784 k( 195) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033784 k( 196) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033784 k( 197) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033784 k( 198) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033784 k( 199) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033784 k( 200) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033784 k( 201) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033784 k( 202) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033784 k( 203) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033784 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 206) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0033784 k( 207) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033784 k( 208) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0033784 k( 209) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0033784 k( 210) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033784 k( 211) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0033784 k( 212) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0033784 k( 213) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033784 k( 214) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0033784 k( 215) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0033784 k( 216) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0033784 k( 217) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0033784 k( 218) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0033784 k( 219) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033784 k( 220) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0033784 k( 221) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0033784 k( 222) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033784 k( 223) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0033784 k( 224) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0033784 k( 225) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033784 k( 226) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0033784 k( 227) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0033784 k( 228) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033784 k( 229) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0033784 k( 230) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0033784 k( 231) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033784 k( 232) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0033784 k( 233) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0033784 k( 234) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033784 k( 235) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0033784 k( 236) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0033784 k( 237) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033784 k( 238) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0033784 k( 239) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0033784 k( 240) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033784 k( 241) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0033784 k( 242) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0033784 k( 243) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033784 k( 244) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0033784 k( 245) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0033784 k( 246) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033784 k( 247) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0033784 k( 248) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0033784 k( 249) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033784 k( 250) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0033784 k( 251) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 253) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 254) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0033784 k( 255) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0033784 k( 256) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0033784 k( 257) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0033784 k( 258) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0033784 k( 259) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0033784 k( 260) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033784 k( 261) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0033784 k( 262) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0033784 k( 263) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0033784 k( 264) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0033784 k( 265) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0033784 k( 266) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0033784 k( 267) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033784 k( 268) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0033784 k( 269) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0033784 k( 270) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0033784 k( 271) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0033784 k( 272) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0033784 k( 273) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0033784 k( 274) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 70709 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 37179 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 266, 52) NL pseudopotentials 0.35 Mb ( 133, 170) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1964) G-vector shells 0.01 Mb ( 923) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 266, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxZnSbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 11.9 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.9 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 13.8 secs Computing kpt #: 22 total cpu time spent up to now is 14.3 secs Computing kpt #: 23 total cpu time spent up to now is 14.8 secs Computing kpt #: 24 total cpu time spent up to now is 15.3 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.2 secs Computing kpt #: 31 total cpu time spent up to now is 18.7 secs Computing kpt #: 32 total cpu time spent up to now is 19.1 secs Computing kpt #: 33 total cpu time spent up to now is 19.6 secs Computing kpt #: 34 total cpu time spent up to now is 20.1 secs Computing kpt #: 35 total cpu time spent up to now is 20.6 secs Computing kpt #: 36 total cpu time spent up to now is 21.1 secs Computing kpt #: 37 total cpu time spent up to now is 21.6 secs Computing kpt #: 38 total cpu time spent up to now is 22.2 secs Computing kpt #: 39 total cpu time spent up to now is 22.8 secs Computing kpt #: 40 total cpu time spent up to now is 23.3 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 25.0 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 26.0 secs Computing kpt #: 46 total cpu time spent up to now is 26.5 secs Computing kpt #: 47 total cpu time spent up to now is 27.0 secs Computing kpt #: 48 total cpu time spent up to now is 27.5 secs Computing kpt #: 49 total cpu time spent up to now is 28.0 secs Computing kpt #: 50 total cpu time spent up to now is 28.5 secs Computing kpt #: 51 total cpu time spent up to now is 29.0 secs Computing kpt #: 52 total cpu time spent up to now is 29.5 secs Computing kpt #: 53 total cpu time spent up to now is 29.9 secs Computing kpt #: 54 total cpu time spent up to now is 30.4 secs Computing kpt #: 55 total cpu time spent up to now is 30.8 secs Computing kpt #: 56 total cpu time spent up to now is 31.3 secs Computing kpt #: 57 total cpu time spent up to now is 31.7 secs Computing kpt #: 58 total cpu time spent up to now is 32.2 secs Computing kpt #: 59 total cpu time spent up to now is 32.6 secs Computing kpt #: 60 total cpu time spent up to now is 33.1 secs Computing kpt #: 61 total cpu time spent up to now is 33.5 secs Computing kpt #: 62 total cpu time spent up to now is 34.0 secs Computing kpt #: 63 total cpu time spent up to now is 34.5 secs Computing kpt #: 64 total cpu time spent up to now is 35.0 secs Computing kpt #: 65 total cpu time spent up to now is 35.4 secs Computing kpt #: 66 total cpu time spent up to now is 35.9 secs Computing kpt #: 67 total cpu time spent up to now is 36.4 secs Computing kpt #: 68 total cpu time spent up to now is 36.9 secs Computing kpt #: 69 total cpu time spent up to now is 37.3 secs Computing kpt #: 70 total cpu time spent up to now is 37.8 secs Computing kpt #: 71 total cpu time spent up to now is 38.3 secs Computing kpt #: 72 total cpu time spent up to now is 38.8 secs Computing kpt #: 73 total cpu time spent up to now is 39.2 secs Computing kpt #: 74 total cpu time spent up to now is 39.7 secs Computing kpt #: 75 total cpu time spent up to now is 40.2 secs Computing kpt #: 76 total cpu time spent up to now is 40.6 secs Computing kpt #: 77 total cpu time spent up to now is 41.1 secs Computing kpt #: 78 total cpu time spent up to now is 41.6 secs Computing kpt #: 79 total cpu time spent up to now is 42.0 secs Computing kpt #: 80 total cpu time spent up to now is 42.5 secs Computing kpt #: 81 total cpu time spent up to now is 43.0 secs Computing kpt #: 82 total cpu time spent up to now is 43.4 secs Computing kpt #: 83 total cpu time spent up to now is 43.9 secs Computing kpt #: 84 total cpu time spent up to now is 44.4 secs Computing kpt #: 85 total cpu time spent up to now is 45.0 secs Computing kpt #: 86 total cpu time spent up to now is 45.5 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.5 secs Computing kpt #: 89 total cpu time spent up to now is 47.0 secs Computing kpt #: 90 total cpu time spent up to now is 47.5 secs Computing kpt #: 91 total cpu time spent up to now is 48.0 secs Computing kpt #: 92 total cpu time spent up to now is 48.5 secs Computing kpt #: 93 total cpu time spent up to now is 49.0 secs Computing kpt #: 94 total cpu time spent up to now is 49.5 secs Computing kpt #: 95 total cpu time spent up to now is 50.0 secs Computing kpt #: 96 total cpu time spent up to now is 50.5 secs Computing kpt #: 97 total cpu time spent up to now is 51.0 secs Computing kpt #: 98 total cpu time spent up to now is 51.5 secs Computing kpt #: 99 total cpu time spent up to now is 52.1 secs Computing kpt #: 100 total cpu time spent up to now is 52.6 secs Computing kpt #: 101 total cpu time spent up to now is 53.1 secs Computing kpt #: 102 total cpu time spent up to now is 53.6 secs Computing kpt #: 103 total cpu time spent up to now is 54.1 secs Computing kpt #: 104 total cpu time spent up to now is 54.6 secs Computing kpt #: 105 total cpu time spent up to now is 55.2 secs Computing kpt #: 106 total cpu time spent up to now is 55.7 secs Computing kpt #: 107 total cpu time spent up to now is 56.3 secs Computing kpt #: 108 total cpu time spent up to now is 56.9 secs Computing kpt #: 109 total cpu time spent up to now is 57.5 secs Computing kpt #: 110 total cpu time spent up to now is 58.1 secs Computing kpt #: 111 total cpu time spent up to now is 58.7 secs Computing kpt #: 112 total cpu time spent up to now is 59.2 secs Computing kpt #: 113 total cpu time spent up to now is 59.7 secs Computing kpt #: 114 total cpu time spent up to now is 60.3 secs Computing kpt #: 115 total cpu time spent up to now is 60.8 secs Computing kpt #: 116 total cpu time spent up to now is 61.4 secs Computing kpt #: 117 total cpu time spent up to now is 61.9 secs Computing kpt #: 118 total cpu time spent up to now is 62.4 secs Computing kpt #: 119 total cpu time spent up to now is 62.9 secs Computing kpt #: 120 total cpu time spent up to now is 63.5 secs Computing kpt #: 121 total cpu time spent up to now is 64.0 secs Computing kpt #: 122 total cpu time spent up to now is 64.6 secs Computing kpt #: 123 total cpu time spent up to now is 65.1 secs Computing kpt #: 124 total cpu time spent up to now is 65.6 secs Computing kpt #: 125 total cpu time spent up to now is 66.1 secs Computing kpt #: 126 total cpu time spent up to now is 66.6 secs Computing kpt #: 127 total cpu time spent up to now is 67.1 secs Computing kpt #: 128 total cpu time spent up to now is 67.7 secs Computing kpt #: 129 total cpu time spent up to now is 68.2 secs Computing kpt #: 130 total cpu time spent up to now is 68.7 secs Computing kpt #: 131 total cpu time spent up to now is 69.2 secs Computing kpt #: 132 total cpu time spent up to now is 69.7 secs Computing kpt #: 133 total cpu time spent up to now is 70.3 secs Computing kpt #: 134 total cpu time spent up to now is 70.7 secs Computing kpt #: 135 total cpu time spent up to now is 71.2 secs Computing kpt #: 136 total cpu time spent up to now is 71.7 secs Computing kpt #: 137 total cpu time spent up to now is 72.1 secs Computing kpt #: 138 total cpu time spent up to now is 72.6 secs Computing kpt #: 139 total cpu time spent up to now is 73.1 secs Computing kpt #: 140 total cpu time spent up to now is 73.6 secs Computing kpt #: 141 total cpu time spent up to now is 74.1 secs Computing kpt #: 142 total cpu time spent up to now is 74.6 secs Computing kpt #: 143 total cpu time spent up to now is 75.2 secs Computing kpt #: 144 total cpu time spent up to now is 75.7 secs Computing kpt #: 145 total cpu time spent up to now is 76.2 secs Computing kpt #: 146 total cpu time spent up to now is 76.7 secs Computing kpt #: 147 total cpu time spent up to now is 77.3 secs Computing kpt #: 148 total cpu time spent up to now is 77.8 secs Computing kpt #: 149 total cpu time spent up to now is 78.3 secs Computing kpt #: 150 total cpu time spent up to now is 78.8 secs Computing kpt #: 151 total cpu time spent up to now is 79.3 secs Computing kpt #: 152 total cpu time spent up to now is 79.8 secs Computing kpt #: 153 total cpu time spent up to now is 80.4 secs Computing kpt #: 154 total cpu time spent up to now is 80.9 secs Computing kpt #: 155 total cpu time spent up to now is 81.3 secs Computing kpt #: 156 total cpu time spent up to now is 81.8 secs Computing kpt #: 157 total cpu time spent up to now is 82.3 secs Computing kpt #: 158 total cpu time spent up to now is 82.7 secs Computing kpt #: 159 total cpu time spent up to now is 83.1 secs Computing kpt #: 160 total cpu time spent up to now is 83.6 secs Computing kpt #: 161 total cpu time spent up to now is 84.0 secs Computing kpt #: 162 total cpu time spent up to now is 84.5 secs Computing kpt #: 163 total cpu time spent up to now is 84.9 secs Computing kpt #: 164 total cpu time spent up to now is 85.3 secs Computing kpt #: 165 total cpu time spent up to now is 85.7 secs Computing kpt #: 166 total cpu time spent up to now is 86.2 secs Computing kpt #: 167 total cpu time spent up to now is 86.6 secs Computing kpt #: 168 total cpu time spent up to now is 87.0 secs Computing kpt #: 169 total cpu time spent up to now is 87.5 secs Computing kpt #: 170 total cpu time spent up to now is 87.9 secs Computing kpt #: 171 total cpu time spent up to now is 88.3 secs Computing kpt #: 172 total cpu time spent up to now is 88.7 secs Computing kpt #: 173 total cpu time spent up to now is 89.2 secs Computing kpt #: 174 total cpu time spent up to now is 89.6 secs Computing kpt #: 175 total cpu time spent up to now is 90.0 secs Computing kpt #: 176 total cpu time spent up to now is 90.4 secs Computing kpt #: 177 total cpu time spent up to now is 90.8 secs Computing kpt #: 178 total cpu time spent up to now is 91.2 secs Computing kpt #: 179 total cpu time spent up to now is 91.6 secs Computing kpt #: 180 total cpu time spent up to now is 92.0 secs Computing kpt #: 181 total cpu time spent up to now is 92.4 secs Computing kpt #: 182 total cpu time spent up to now is 92.8 secs Computing kpt #: 183 total cpu time spent up to now is 93.2 secs Computing kpt #: 184 total cpu time spent up to now is 93.6 secs Computing kpt #: 185 total cpu time spent up to now is 94.1 secs Computing kpt #: 186 total cpu time spent up to now is 94.5 secs Computing kpt #: 187 total cpu time spent up to now is 94.9 secs Computing kpt #: 188 total cpu time spent up to now is 95.4 secs Computing kpt #: 189 total cpu time spent up to now is 95.8 secs Computing kpt #: 190 total cpu time spent up to now is 96.3 secs Computing kpt #: 191 total cpu time spent up to now is 96.7 secs Computing kpt #: 192 total cpu time spent up to now is 97.2 secs Computing kpt #: 193 total cpu time spent up to now is 97.6 secs Computing kpt #: 194 total cpu time spent up to now is 98.1 secs Computing kpt #: 195 total cpu time spent up to now is 98.6 secs Computing kpt #: 196 total cpu time spent up to now is 100.0 secs Computing kpt #: 197 total cpu time spent up to now is 100.5 secs Computing kpt #: 198 total cpu time spent up to now is 101.0 secs Computing kpt #: 199 total cpu time spent up to now is 101.5 secs Computing kpt #: 200 total cpu time spent up to now is 102.1 secs Computing kpt #: 201 total cpu time spent up to now is 102.6 secs Computing kpt #: 202 total cpu time spent up to now is 103.1 secs Computing kpt #: 203 total cpu time spent up to now is 103.6 secs Computing kpt #: 204 total cpu time spent up to now is 104.1 secs Computing kpt #: 205 total cpu time spent up to now is 104.6 secs Computing kpt #: 206 total cpu time spent up to now is 105.1 secs Computing kpt #: 207 total cpu time spent up to now is 105.6 secs Computing kpt #: 208 total cpu time spent up to now is 106.1 secs Computing kpt #: 209 total cpu time spent up to now is 106.6 secs Computing kpt #: 210 total cpu time spent up to now is 107.1 secs Computing kpt #: 211 total cpu time spent up to now is 107.7 secs Computing kpt #: 212 total cpu time spent up to now is 108.2 secs Computing kpt #: 213 total cpu time spent up to now is 108.7 secs Computing kpt #: 214 total cpu time spent up to now is 109.2 secs Computing kpt #: 215 total cpu time spent up to now is 109.7 secs Computing kpt #: 216 total cpu time spent up to now is 110.2 secs Computing kpt #: 217 total cpu time spent up to now is 110.7 secs Computing kpt #: 218 total cpu time spent up to now is 111.2 secs Computing kpt #: 219 total cpu time spent up to now is 111.7 secs Computing kpt #: 220 total cpu time spent up to now is 112.3 secs Computing kpt #: 221 total cpu time spent up to now is 112.8 secs Computing kpt #: 222 total cpu time spent up to now is 113.3 secs Computing kpt #: 223 total cpu time spent up to now is 113.8 secs Computing kpt #: 224 total cpu time spent up to now is 114.3 secs Computing kpt #: 225 total cpu time spent up to now is 114.8 secs Computing kpt #: 226 total cpu time spent up to now is 115.3 secs Computing kpt #: 227 total cpu time spent up to now is 115.8 secs Computing kpt #: 228 total cpu time spent up to now is 116.3 secs Computing kpt #: 229 total cpu time spent up to now is 116.8 secs Computing kpt #: 230 total cpu time spent up to now is 117.3 secs Computing kpt #: 231 total cpu time spent up to now is 117.8 secs Computing kpt #: 232 total cpu time spent up to now is 118.4 secs Computing kpt #: 233 total cpu time spent up to now is 118.9 secs Computing kpt #: 234 total cpu time spent up to now is 119.4 secs Computing kpt #: 235 total cpu time spent up to now is 119.9 secs Computing kpt #: 236 total cpu time spent up to now is 120.4 secs Computing kpt #: 237 total cpu time spent up to now is 120.9 secs Computing kpt #: 238 total cpu time spent up to now is 121.4 secs Computing kpt #: 239 total cpu time spent up to now is 121.9 secs Computing kpt #: 240 total cpu time spent up to now is 122.4 secs Computing kpt #: 241 total cpu time spent up to now is 122.9 secs Computing kpt #: 242 total cpu time spent up to now is 123.4 secs Computing kpt #: 243 total cpu time spent up to now is 123.9 secs Computing kpt #: 244 total cpu time spent up to now is 124.4 secs Computing kpt #: 245 total cpu time spent up to now is 124.9 secs Computing kpt #: 246 total cpu time spent up to now is 125.4 secs Computing kpt #: 247 total cpu time spent up to now is 125.9 secs Computing kpt #: 248 total cpu time spent up to now is 126.4 secs Computing kpt #: 249 total cpu time spent up to now is 127.0 secs Computing kpt #: 250 total cpu time spent up to now is 127.5 secs Computing kpt #: 251 total cpu time spent up to now is 127.9 secs Computing kpt #: 252 total cpu time spent up to now is 128.4 secs Computing kpt #: 253 total cpu time spent up to now is 128.8 secs Computing kpt #: 254 total cpu time spent up to now is 129.2 secs Computing kpt #: 255 total cpu time spent up to now is 129.6 secs Computing kpt #: 256 total cpu time spent up to now is 130.0 secs Computing kpt #: 257 total cpu time spent up to now is 130.4 secs Computing kpt #: 258 total cpu time spent up to now is 130.9 secs Computing kpt #: 259 total cpu time spent up to now is 131.3 secs Computing kpt #: 260 total cpu time spent up to now is 131.7 secs Computing kpt #: 261 total cpu time spent up to now is 132.1 secs Computing kpt #: 262 total cpu time spent up to now is 132.6 secs Computing kpt #: 263 total cpu time spent up to now is 133.0 secs Computing kpt #: 264 total cpu time spent up to now is 133.5 secs Computing kpt #: 265 total cpu time spent up to now is 133.9 secs Computing kpt #: 266 total cpu time spent up to now is 134.7 secs Computing kpt #: 267 total cpu time spent up to now is 135.2 secs Computing kpt #: 268 total cpu time spent up to now is 135.7 secs Computing kpt #: 269 total cpu time spent up to now is 136.2 secs Computing kpt #: 270 total cpu time spent up to now is 136.7 secs Computing kpt #: 271 total cpu time spent up to now is 137.2 secs Computing kpt #: 272 total cpu time spent up to now is 137.7 secs Computing kpt #: 273 total cpu time spent up to now is 138.2 secs Computing kpt #: 274 total cpu time spent up to now is 138.8 secs Computing kpt #: 275 total cpu time spent up to now is 139.2 secs Computing kpt #: 276 total cpu time spent up to now is 139.7 secs Computing kpt #: 277 total cpu time spent up to now is 140.2 secs Computing kpt #: 278 total cpu time spent up to now is 140.7 secs Computing kpt #: 279 total cpu time spent up to now is 141.1 secs Computing kpt #: 280 total cpu time spent up to now is 141.6 secs Computing kpt #: 281 total cpu time spent up to now is 142.1 secs Computing kpt #: 282 total cpu time spent up to now is 142.5 secs Computing kpt #: 283 total cpu time spent up to now is 143.0 secs Computing kpt #: 284 total cpu time spent up to now is 143.5 secs Computing kpt #: 285 total cpu time spent up to now is 144.0 secs Computing kpt #: 286 total cpu time spent up to now is 144.5 secs Computing kpt #: 287 total cpu time spent up to now is 145.0 secs Computing kpt #: 288 total cpu time spent up to now is 145.5 secs Computing kpt #: 289 total cpu time spent up to now is 146.0 secs Computing kpt #: 290 total cpu time spent up to now is 146.6 secs Computing kpt #: 291 total cpu time spent up to now is 147.0 secs Computing kpt #: 292 total cpu time spent up to now is 147.6 secs Computing kpt #: 293 total cpu time spent up to now is 148.1 secs Computing kpt #: 294 total cpu time spent up to now is 148.6 secs Computing kpt #: 295 total cpu time spent up to now is 149.0 secs Computing kpt #: 296 total cpu time spent up to now is 149.6 secs ethr = 2.27E-08, avg # of iterations = 18.3 total cpu time spent up to now is 149.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4621 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1530 -10.1530 -10.0750 -10.0750 -3.3600 -3.3600 -2.2501 -2.2501 -0.2522 -0.2522 -0.2437 -0.2437 -0.1703 -0.1703 -0.1288 -0.1288 0.0854 0.0854 0.1131 0.1131 0.1544 0.1544 0.2233 0.2233 0.2628 0.2628 0.3096 0.3096 2.4493 2.4493 5.9333 5.9333 6.2688 6.2688 6.9426 6.9426 7.1145 7.1145 7.6200 7.6200 7.6832 7.6832 8.4180 8.4180 9.0770 9.0770 9.7091 9.7091 k = 0.0122 0.0070-0.0000 ( 4631 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1530 -10.1530 -10.0752 -10.0752 -3.3589 -3.3589 -2.2496 -2.2496 -0.2522 -0.2522 -0.2436 -0.2436 -0.1704 -0.1704 -0.1288 -0.1288 0.0854 0.0854 0.1130 0.1130 0.1546 0.1546 0.2233 0.2233 0.2626 0.2626 0.3097 0.3097 2.4509 2.4509 5.9222 5.9222 6.2538 6.2538 6.9353 6.9353 7.1380 7.1380 7.6094 7.6094 7.6655 7.6655 8.4339 8.4339 9.0869 9.0869 9.7167 9.7167 k = 0.0244 0.0141-0.0000 ( 4633 PWs) bands (ev): -28.4417 -28.4417 -11.2566 -11.2566 -10.1531 -10.1531 -10.0755 -10.0755 -3.3554 -3.3554 -2.2482 -2.2482 -0.2520 -0.2520 -0.2434 -0.2434 -0.1707 -0.1707 -0.1285 -0.1285 0.0856 0.0856 0.1128 0.1128 0.1550 0.1550 0.2235 0.2235 0.2623 0.2623 0.3100 0.3100 2.4555 2.4555 5.8871 5.8871 6.2169 6.2169 6.9128 6.9128 7.2021 7.2021 7.5653 7.5653 7.6329 7.6329 8.4739 8.4739 9.1161 9.1161 9.7392 9.7392 k = 0.0366 0.0211-0.0000 ( 4631 PWs) bands (ev): -28.4417 -28.4417 -11.2568 -11.2568 -10.1531 -10.1531 -10.0761 -10.0761 -3.3497 -3.3497 -2.2459 -2.2459 -0.2516 -0.2516 -0.2430 -0.2430 -0.1711 -0.1711 -0.1281 -0.1281 0.0859 0.0859 0.1124 0.1124 0.1557 0.1557 0.2238 0.2238 0.2617 0.2617 0.3104 0.3104 2.4633 2.4633 5.8250 5.8250 6.1737 6.1737 6.8739 6.8739 7.2931 7.2931 7.4868 7.4868 7.6049 7.6049 8.5226 8.5226 9.1625 9.1625 9.7743 9.7743 k = 0.0488 0.0282-0.0000 ( 4619 PWs) bands (ev): -28.4416 -28.4416 -11.2571 -11.2571 -10.1532 -10.1532 -10.0770 -10.0770 -3.3416 -3.3416 -2.2428 -2.2428 -0.2511 -0.2511 -0.2424 -0.2424 -0.1716 -0.1716 -0.1275 -0.1275 0.0864 0.0864 0.1120 0.1120 0.1566 0.1566 0.2242 0.2242 0.2609 0.2609 0.3111 0.3111 2.4741 2.4741 5.7369 5.7369 6.1345 6.1345 6.8167 6.8167 7.3716 7.3716 7.4234 7.4234 7.5756 7.5756 8.5691 8.5691 9.2217 9.2217 9.8173 9.8173 k = 0.0610 0.0352-0.0000 ( 4609 PWs) bands (ev): -28.4416 -28.4416 -11.2575 -11.2575 -10.1532 -10.1532 -10.0781 -10.0781 -3.3314 -3.3314 -2.2387 -2.2387 -0.2505 -0.2505 -0.2417 -0.2417 -0.1722 -0.1722 -0.1267 -0.1267 0.0869 0.0869 0.1115 0.1115 0.1577 0.1577 0.2247 0.2247 0.2599 0.2599 0.3120 0.3120 2.4878 2.4878 5.6284 5.6284 6.1008 6.1008 6.7400 6.7400 7.2952 7.2952 7.5050 7.5050 7.5603 7.5603 8.6092 8.6092 9.2870 9.2870 9.8664 9.8664 k = 0.0732 0.0422-0.0000 ( 4611 PWs) bands (ev): -28.4415 -28.4415 -11.2579 -11.2579 -10.1533 -10.1533 -10.0794 -10.0794 -3.3189 -3.3189 -2.2338 -2.2338 -0.2497 -0.2497 -0.2408 -0.2408 -0.1730 -0.1730 -0.1259 -0.1259 0.0875 0.0875 0.1110 0.1110 0.1589 0.1589 0.2252 0.2252 0.2586 0.2586 0.3132 0.3132 2.5046 2.5046 5.5064 5.5064 6.0705 6.0705 6.6443 6.6443 7.2107 7.2107 7.4873 7.4873 7.6579 7.6579 8.6426 8.6426 9.3525 9.3525 9.9211 9.9211 k = 0.0854 0.0493-0.0000 ( 4609 PWs) bands (ev): -28.4414 -28.4414 -11.2585 -11.2585 -10.1535 -10.1535 -10.0809 -10.0809 -3.3042 -3.3042 -2.2280 -2.2280 -0.2488 -0.2488 -0.2397 -0.2397 -0.1738 -0.1738 -0.1249 -0.1249 0.0882 0.0882 0.1106 0.1106 0.1601 0.1601 0.2259 0.2259 0.2571 0.2571 0.3147 0.3147 2.5242 2.5242 5.3758 5.3758 6.0412 6.0412 6.5321 6.5321 7.1332 7.1332 7.4428 7.4428 7.7788 7.7788 8.6709 8.6709 9.4139 9.4139 9.9799 9.9799 k = 0.0976 0.0563-0.0000 ( 4613 PWs) bands (ev): -28.4413 -28.4413 -11.2591 -11.2591 -10.1536 -10.1536 -10.0826 -10.0826 -3.2873 -3.2873 -2.2215 -2.2215 -0.2478 -0.2478 -0.2386 -0.2386 -0.1747 -0.1747 -0.1238 -0.1238 0.0890 0.0890 0.1102 0.1102 0.1614 0.1614 0.2266 0.2266 0.2555 0.2555 0.3165 0.3165 2.5466 2.5466 5.2399 5.2399 6.0112 6.0112 6.4079 6.4079 7.0623 7.0623 7.3928 7.3928 7.8985 7.8985 8.6958 8.6958 9.4695 9.4695 10.0389 10.0389 k = 0.1098 0.0634-0.0000 ( 4617 PWs) bands (ev): -28.4411 -28.4411 -11.2597 -11.2597 -10.1538 -10.1538 -10.0844 -10.0844 -3.2683 -3.2683 -2.2142 -2.2142 -0.2466 -0.2466 -0.2372 -0.2372 -0.1757 -0.1757 -0.1226 -0.1226 0.0898 0.0898 0.1099 0.1099 0.1627 0.1627 0.2273 0.2273 0.2538 0.2538 0.3186 0.3186 2.5716 2.5716 5.1009 5.1009 5.9793 5.9793 6.2762 6.2762 6.9960 6.9960 7.3390 7.3390 8.0126 8.0126 8.7192 8.7192 9.5184 9.5184 10.0494 10.0494 k = 0.1220 0.0704-0.0000 ( 4621 PWs) bands (ev): -28.4410 -28.4410 -11.2605 -11.2605 -10.1540 -10.1540 -10.0864 -10.0864 -3.2472 -3.2472 -2.2062 -2.2062 -0.2453 -0.2453 -0.2357 -0.2357 -0.1767 -0.1767 -0.1213 -0.1213 0.0907 0.0907 0.1099 0.1099 0.1639 0.1639 0.2279 0.2279 0.2520 0.2520 0.3212 0.3212 2.5993 2.5993 4.9600 4.9600 5.9431 5.9431 6.1424 6.1424 6.9325 6.9325 7.2825 7.2825 8.1173 8.1173 8.7434 8.7434 9.5601 9.5601 10.0145 10.0145 k = 0.1341 0.0774-0.0000 ( 4621 PWs) bands (ev): -28.4408 -28.4408 -11.2613 -11.2613 -10.1543 -10.1543 -10.0886 -10.0886 -3.2240 -3.2240 -2.1975 -2.1975 -0.2438 -0.2438 -0.2341 -0.2341 -0.1776 -0.1776 -0.1199 -0.1199 0.0916 0.0916 0.1100 0.1100 0.1651 0.1651 0.2284 0.2284 0.2502 0.2502 0.3241 0.3241 2.6294 2.6294 4.8182 4.8182 5.8947 5.8947 6.0170 6.0170 6.8706 6.8706 7.2237 7.2237 8.2081 8.2081 8.7712 8.7712 9.5940 9.5940 9.9901 9.9901 k = 0.1463 0.0845-0.0000 ( 4626 PWs) bands (ev): -28.4407 -28.4407 -11.2622 -11.2622 -10.1546 -10.1546 -10.0908 -10.0908 -3.1990 -3.1990 -2.1883 -2.1883 -0.2422 -0.2422 -0.2323 -0.2323 -0.1786 -0.1786 -0.1184 -0.1184 0.0925 0.0925 0.1104 0.1104 0.1661 0.1661 0.2286 0.2286 0.2486 0.2486 0.3275 0.3275 2.6617 2.6617 4.6762 4.6762 5.8076 5.8076 5.9283 5.9283 6.8096 6.8096 7.1633 7.1633 8.2803 8.2803 8.8059 8.8059 9.6195 9.6195 9.9791 9.9791 k = 0.1585 0.0915-0.0000 ( 4624 PWs) bands (ev): -28.4405 -28.4405 -11.2631 -11.2631 -10.1550 -10.1550 -10.0932 -10.0932 -3.1720 -3.1720 -2.1785 -2.1785 -0.2405 -0.2405 -0.2303 -0.2303 -0.1796 -0.1796 -0.1168 -0.1168 0.0935 0.0935 0.1110 0.1110 0.1671 0.1671 0.2283 0.2283 0.2474 0.2474 0.3314 0.3314 2.6961 2.6961 4.5345 4.5345 5.6826 5.6826 5.8771 5.8771 6.7491 6.7491 7.1017 7.1017 8.3302 8.3302 8.8503 8.8503 9.6370 9.6370 9.9820 9.9820 k = 0.1707 0.0986-0.0000 ( 4620 PWs) bands (ev): -28.4403 -28.4403 -11.2641 -11.2641 -10.1554 -10.1554 -10.0956 -10.0956 -3.1432 -3.1432 -2.1682 -2.1682 -0.2386 -0.2386 -0.2282 -0.2282 -0.1805 -0.1805 -0.1151 -0.1151 0.0944 0.0944 0.1119 0.1119 0.1679 0.1679 0.2276 0.2276 0.2465 0.2465 0.3357 0.3357 2.7323 2.7323 4.3934 4.3934 5.5479 5.5479 5.8362 5.8362 6.6889 6.6889 7.0392 7.0392 8.3571 8.3571 8.9046 8.9046 9.6482 9.6482 9.9969 9.9969 k = 0.1829 0.1056-0.0000 ( 4624 PWs) bands (ev): -28.4401 -28.4401 -11.2652 -11.2652 -10.1560 -10.1560 -10.0980 -10.0980 -3.1126 -3.1126 -2.1575 -2.1575 -0.2365 -0.2365 -0.2260 -0.2260 -0.1814 -0.1814 -0.1134 -0.1134 0.0954 0.0954 0.1130 0.1130 0.1686 0.1686 0.2263 0.2263 0.2462 0.2462 0.3405 0.3405 2.7701 2.7701 4.2535 4.2535 5.4125 5.4125 5.7975 5.7975 6.6289 6.6289 6.9763 6.9763 8.3635 8.3635 8.9663 8.9663 9.6552 9.6552 10.0210 10.0210 k = 0.1951 0.1127-0.0000 ( 4624 PWs) bands (ev): -28.4399 -28.4399 -11.2662 -11.2662 -10.1566 -10.1566 -10.1004 -10.1004 -3.0804 -3.0804 -2.1465 -2.1465 -0.2344 -0.2344 -0.2235 -0.2235 -0.1823 -0.1823 -0.1115 -0.1115 0.0964 0.0964 0.1143 0.1143 0.1692 0.1692 0.2244 0.2244 0.2463 0.2463 0.3458 0.3458 2.8091 2.8091 4.1149 4.1149 5.2793 5.2793 5.7595 5.7595 6.5692 6.5692 6.9132 6.9132 8.3538 8.3538 9.0316 9.0316 9.6597 9.6597 10.0513 10.0513 k = 0.2073 0.1197-0.0000 ( 4626 PWs) bands (ev): -28.4397 -28.4397 -11.2674 -11.2674 -10.1573 -10.1573 -10.1028 -10.1028 -3.0466 -3.0466 -2.1352 -2.1352 -0.2321 -0.2321 -0.2209 -0.2209 -0.1830 -0.1830 -0.1095 -0.1095 0.0976 0.0976 0.1159 0.1159 0.1696 0.1696 0.2222 0.2222 0.2467 0.2467 0.3516 0.3516 2.8489 2.8489 3.9781 3.9781 5.1495 5.1495 5.7216 5.7216 6.5096 6.5096 6.8503 6.8503 8.3323 8.3323 9.0975 9.0975 9.6630 9.6630 10.0858 10.0858 k = 0.2195 0.1267-0.0000 ( 4634 PWs) bands (ev): -28.4395 -28.4395 -11.2685 -11.2685 -10.1581 -10.1581 -10.1051 -10.1051 -3.0114 -3.0114 -2.1238 -2.1238 -0.2298 -0.2298 -0.2180 -0.2180 -0.1837 -0.1837 -0.1075 -0.1075 0.0988 0.0988 0.1176 0.1176 0.1700 0.1700 0.2197 0.2197 0.2474 0.2474 0.3578 0.3578 2.8890 2.8890 3.8432 3.8432 5.0240 5.0240 5.6839 5.6839 6.4503 6.4503 6.7878 6.7878 8.3023 8.3023 9.1618 9.1618 9.6655 9.6655 10.1226 10.1226 k = 0.2317 0.1338-0.0000 ( 4638 PWs) bands (ev): -28.4393 -28.4393 -11.2697 -11.2697 -10.1591 -10.1591 -10.1073 -10.1073 -2.9749 -2.9749 -2.1124 -2.1124 -0.2274 -0.2274 -0.2150 -0.2150 -0.1843 -0.1843 -0.1053 -0.1053 0.1001 0.1001 0.1195 0.1195 0.1702 0.1702 0.2170 0.2170 0.2482 0.2482 0.3644 0.3644 2.9287 2.9287 3.7108 3.7108 4.9037 4.9037 5.6463 5.6463 6.3912 6.3912 6.7261 6.7261 8.2664 8.2664 9.2232 9.2232 9.6676 9.6676 10.1608 10.1608 k = 0.2439 0.1408-0.0000 ( 4642 PWs) bands (ev): -28.4391 -28.4391 -11.2709 -11.2709 -10.1602 -10.1602 -10.1094 -10.1094 -2.9372 -2.9372 -2.1010 -2.1010 -0.2250 -0.2250 -0.2117 -0.2117 -0.1848 -0.1848 -0.1030 -0.1030 0.1016 0.1016 0.1216 0.1216 0.1704 0.1704 0.2142 0.2142 0.2491 0.2491 0.3714 0.3714 2.9671 2.9671 3.5813 3.5813 4.7895 4.7895 5.6090 5.6090 6.3323 6.3323 6.6654 6.6654 8.2266 8.2266 9.2807 9.2807 9.6700 9.6700 10.1993 10.1993 k = 0.2561 0.1479-0.0000 ( 4646 PWs) bands (ev): -28.4389 -28.4389 -11.2721 -11.2721 -10.1614 -10.1614 -10.1114 -10.1114 -2.8984 -2.8984 -2.0898 -2.0898 -0.2227 -0.2227 -0.2082 -0.2082 -0.1851 -0.1851 -0.1006 -0.1006 0.1032 0.1032 0.1238 0.1238 0.1705 0.1705 0.2115 0.2115 0.2500 0.2500 0.3787 0.3787 3.0030 3.0030 3.4554 3.4554 4.6823 4.6823 5.5723 5.5723 6.2736 6.2736 6.6060 6.6060 8.1842 8.1842 9.3333 9.3333 9.6730 9.6730 10.2379 10.2379 k = 0.2683 0.1549-0.0000 ( 4650 PWs) bands (ev): -28.4387 -28.4387 -11.2733 -11.2733 -10.1627 -10.1627 -10.1132 -10.1132 -2.8586 -2.8586 -2.0788 -2.0788 -0.2204 -0.2204 -0.2045 -0.2045 -0.1852 -0.1852 -0.0981 -0.0981 0.1049 0.1049 0.1261 0.1261 0.1705 0.1705 0.2088 0.2088 0.2510 0.2510 0.3862 0.3862 3.0337 3.0337 3.3348 3.3348 4.5834 4.5834 5.5362 5.5362 6.2149 6.2149 6.5482 6.5482 8.1405 8.1405 9.3800 9.3800 9.6777 9.6777 10.2763 10.2763 k = 0.2805 0.1619-0.0000 ( 4658 PWs) bands (ev): -28.4385 -28.4385 -11.2745 -11.2745 -10.1641 -10.1641 -10.1148 -10.1148 -2.8182 -2.8182 -2.0683 -2.0683 -0.2182 -0.2182 -0.2007 -0.2007 -0.1851 -0.1851 -0.0954 -0.0954 0.1068 0.1068 0.1286 0.1286 0.1705 0.1705 0.2063 0.2063 0.2520 0.2520 0.3939 0.3939 3.0524 3.0524 3.2255 3.2255 4.4941 4.4941 5.5009 5.5009 6.1562 6.1562 6.4924 6.4924 8.0962 8.0962 9.4198 9.4198 9.6846 9.6846 10.3146 10.3146 k = 0.2927 0.1690-0.0000 ( 4658 PWs) bands (ev): -28.4383 -28.4383 -11.2757 -11.2757 -10.1657 -10.1657 -10.1163 -10.1163 -2.7771 -2.7771 -2.0582 -2.0582 -0.2161 -0.2161 -0.1971 -0.1971 -0.1843 -0.1843 -0.0925 -0.0925 0.1088 0.1088 0.1312 0.1312 0.1704 0.1704 0.2039 0.2039 0.2531 0.2531 0.4017 0.4017 3.0298 3.0298 3.1555 3.1555 4.4160 4.4160 5.4667 5.4667 6.0975 6.0975 6.4387 6.4387 8.0520 8.0520 9.4519 9.4519 9.6942 9.6942 10.3536 10.3536 k = 0.3049 0.1760-0.0000 ( 4662 PWs) bands (ev): -28.4381 -28.4381 -11.2769 -11.2769 -10.1673 -10.1673 -10.1176 -10.1176 -2.7357 -2.7357 -2.0488 -2.0488 -0.2141 -0.2141 -0.1940 -0.1940 -0.1827 -0.1827 -0.0894 -0.0894 0.1108 0.1108 0.1340 0.1340 0.1704 0.1704 0.2019 0.2019 0.2543 0.2543 0.4093 0.4093 2.9451 2.9451 3.1442 3.1442 4.3507 4.3507 5.4335 5.4335 6.0385 6.0385 6.3875 6.3875 8.0085 8.0085 9.4761 9.4761 9.7060 9.7060 10.3938 10.3938 k = 0.3171 0.1831-0.0000 ( 4668 PWs) bands (ev): -28.4379 -28.4379 -11.2781 -11.2781 -10.1690 -10.1690 -10.1187 -10.1187 -2.6940 -2.6940 -2.0401 -2.0401 -0.2123 -0.2123 -0.1919 -0.1919 -0.1798 -0.1798 -0.0862 -0.0862 0.1129 0.1129 0.1368 0.1368 0.1703 0.1703 0.2001 0.2001 0.2556 0.2556 0.4167 0.4167 2.8431 2.8431 3.1459 3.1459 4.2998 4.2998 5.4017 5.4017 5.9793 5.9793 6.3390 6.3390 7.9660 7.9660 9.4930 9.4930 9.7188 9.7188 10.4363 10.4363 k = 0.3293 0.1901-0.0000 ( 4666 PWs) bands (ev): -28.4377 -28.4377 -11.2792 -11.2792 -10.1708 -10.1708 -10.1197 -10.1197 -2.6524 -2.6524 -2.0324 -2.0324 -0.2107 -0.2107 -0.1906 -0.1906 -0.1758 -0.1758 -0.0828 -0.0828 0.1149 0.1149 0.1397 0.1397 0.1704 0.1704 0.1989 0.1989 0.2570 0.2570 0.4237 0.4237 2.7408 2.7408 3.1425 3.1425 4.2644 4.2644 5.3713 5.3713 5.9197 5.9197 6.2933 6.2933 7.9250 7.9250 9.5041 9.5041 9.7308 9.7308 10.4818 10.4818 k = 0.3415 0.1971-0.0000 ( 4664 PWs) bands (ev): -28.4375 -28.4375 -11.2803 -11.2803 -10.1725 -10.1725 -10.1206 -10.1206 -2.6110 -2.6110 -2.0256 -2.0256 -0.2092 -0.2092 -0.1899 -0.1899 -0.1711 -0.1711 -0.0793 -0.0793 0.1169 0.1169 0.1424 0.1424 0.1707 0.1707 0.1983 0.1983 0.2587 0.2587 0.4301 0.4301 2.6420 2.6420 3.1306 3.1306 4.2449 4.2449 5.3424 5.3424 5.8599 5.8599 6.2506 6.2506 7.8856 7.8856 9.5109 9.5109 9.7402 9.7402 10.5310 10.5310 k = 0.3537 0.2042-0.0000 ( 4668 PWs) bands (ev): -28.4374 -28.4374 -11.2813 -11.2813 -10.1743 -10.1743 -10.1213 -10.1213 -2.5701 -2.5701 -2.0199 -2.0199 -0.2078 -0.2078 -0.1894 -0.1894 -0.1661 -0.1661 -0.0756 -0.0756 0.1187 0.1187 0.1447 0.1447 0.1711 0.1711 0.1984 0.1984 0.2607 0.2607 0.4357 0.4357 2.5477 2.5477 3.1100 3.1100 4.2406 4.2406 5.3153 5.3153 5.7998 5.7998 6.2110 6.2110 7.8482 7.8482 9.5148 9.5148 9.7461 9.7461 10.5841 10.5841 k = 0.3659 0.2112-0.0000 ( 4668 PWs) bands (ev): -28.4372 -28.4372 -11.2823 -11.2823 -10.1760 -10.1760 -10.1219 -10.1219 -2.5300 -2.5300 -2.0154 -2.0154 -0.2066 -0.2066 -0.1889 -0.1889 -0.1609 -0.1609 -0.0718 -0.0718 0.1205 0.1205 0.1465 0.1465 0.1719 0.1719 0.1994 0.1994 0.2632 0.2632 0.4403 0.4403 2.4589 2.4589 3.0818 3.0818 4.2500 4.2500 5.2900 5.2900 5.7395 5.7395 6.1745 6.1745 7.8129 7.8129 9.5167 9.5167 9.7481 9.7481 10.6409 10.6409 k = 0.3780 0.2183-0.0000 ( 4660 PWs) bands (ev): -28.4371 -28.4371 -11.2832 -11.2832 -10.1776 -10.1776 -10.1224 -10.1224 -2.4909 -2.4909 -2.0123 -2.0123 -0.2056 -0.2056 -0.1886 -0.1886 -0.1558 -0.1558 -0.0678 -0.0678 0.1221 0.1221 0.1476 0.1476 0.1730 0.1730 0.2014 0.2014 0.2663 0.2663 0.4435 0.4435 2.3761 2.3761 3.0480 3.0480 4.2708 4.2708 5.2666 5.2666 5.6793 5.6793 6.1413 6.1413 7.7800 7.7800 9.5173 9.5173 9.7466 9.7466 10.7009 10.7009 k = 0.3902 0.2253-0.0000 ( 4664 PWs) bands (ev): -28.4369 -28.4369 -11.2841 -11.2841 -10.1792 -10.1792 -10.1228 -10.1228 -2.4531 -2.4531 -2.0105 -2.0105 -0.2047 -0.2047 -0.1882 -0.1882 -0.1510 -0.1510 -0.0639 -0.0639 0.1236 0.1236 0.1478 0.1478 0.1741 0.1741 0.2045 0.2045 0.2703 0.2703 0.4452 0.4452 2.2997 2.2997 3.0107 3.0107 4.3008 4.3008 5.2453 5.2453 5.6192 5.6192 6.1113 6.1113 7.7496 7.7496 9.5168 9.5168 9.7422 9.7422 10.7631 10.7631 k = 0.4024 0.2323-0.0000 ( 4662 PWs) bands (ev): -28.4368 -28.4368 -11.2848 -11.2848 -10.1806 -10.1806 -10.1232 -10.1232 -2.4169 -2.4169 -2.0100 -2.0100 -0.2039 -0.2039 -0.1879 -0.1879 -0.1464 -0.1464 -0.0600 -0.0600 0.1250 0.1250 0.1475 0.1475 0.1751 0.1751 0.2083 0.2083 0.2754 0.2754 0.4451 0.4451 2.2303 2.2303 2.9722 2.9722 4.3377 4.3377 5.2261 5.2261 5.5597 5.5597 6.0845 6.0845 7.7219 7.7219 9.5157 9.5157 9.7358 9.7358 10.8263 10.8263 k = 0.4146 0.2394-0.0000 ( 4662 PWs) bands (ev): -28.4367 -28.4367 -11.2855 -11.2855 -10.1820 -10.1820 -10.1234 -10.1234 -2.3828 -2.3828 -2.0109 -2.0109 -0.2033 -0.2033 -0.1876 -0.1876 -0.1421 -0.1421 -0.0562 -0.0562 0.1263 0.1263 0.1466 0.1466 0.1759 0.1759 0.2125 0.2125 0.2821 0.2821 0.4431 0.4431 2.1683 2.1683 2.9342 2.9342 4.3791 4.3791 5.2093 5.2093 5.5011 5.5011 6.0609 6.0609 7.6970 7.6970 9.5141 9.5141 9.7283 9.7283 10.8890 10.8890 k = 0.4268 0.2464-0.0000 ( 4656 PWs) bands (ev): -28.4366 -28.4366 -11.2862 -11.2862 -10.1831 -10.1831 -10.1237 -10.1237 -2.3511 -2.3511 -2.0131 -2.0131 -0.2027 -0.2027 -0.1873 -0.1873 -0.1383 -0.1383 -0.0527 -0.0527 0.1276 0.1276 0.1455 0.1455 0.1766 0.1766 0.2166 0.2166 0.2906 0.2906 0.4390 0.4390 2.1139 2.1139 2.8983 2.8983 4.4232 4.4232 5.1949 5.1949 5.4442 5.4442 6.0405 6.0405 7.6752 7.6752 9.5122 9.5122 9.7205 9.7205 10.9495 10.9495 k = 0.4390 0.2535-0.0000 ( 4652 PWs) bands (ev): -28.4365 -28.4365 -11.2867 -11.2867 -10.1842 -10.1842 -10.1238 -10.1238 -2.3223 -2.3223 -2.0164 -2.0164 -0.2023 -0.2023 -0.1871 -0.1871 -0.1351 -0.1351 -0.0494 -0.0494 0.1289 0.1289 0.1441 0.1441 0.1771 0.1771 0.2203 0.2203 0.3010 0.3010 0.4327 0.4327 2.0676 2.0676 2.8659 2.8659 4.4677 4.4677 5.1831 5.1831 5.3898 5.3898 6.0233 6.0233 7.6564 7.6564 9.5101 9.5101 9.7131 9.7131 11.0060 11.0060 k = 0.4512 0.2605-0.0000 ( 4654 PWs) bands (ev): -28.4364 -28.4364 -11.2871 -11.2871 -10.1850 -10.1850 -10.1240 -10.1240 -2.2970 -2.2970 -2.0205 -2.0205 -0.2020 -0.2020 -0.1869 -0.1869 -0.1323 -0.1323 -0.0466 -0.0466 0.1302 0.1302 0.1425 0.1425 0.1775 0.1775 0.2232 0.2232 0.3131 0.3131 0.4242 0.4242 2.0294 2.0294 2.8380 2.8380 4.5105 4.5105 5.1742 5.1742 5.3391 5.3391 6.0092 6.0092 7.6410 7.6410 9.5079 9.5079 9.7065 9.7065 11.0566 11.0566 k = 0.4634 0.2676-0.0000 ( 4650 PWs) bands (ev): -28.4364 -28.4364 -11.2875 -11.2875 -10.1857 -10.1857 -10.1241 -10.1241 -2.2758 -2.2758 -2.0248 -2.0248 -0.2017 -0.2017 -0.1867 -0.1867 -0.1302 -0.1302 -0.0443 -0.0443 0.1315 0.1315 0.1410 0.1410 0.1778 0.1778 0.2254 0.2254 0.3266 0.3266 0.4139 0.4139 1.9997 1.9997 2.8154 2.8154 4.5490 4.5490 5.1686 5.1686 5.2937 5.2937 5.9983 5.9983 7.6288 7.6288 9.5060 9.5060 9.7012 9.7012 11.0989 11.0989 k = 0.4756 0.2746-0.0000 ( 4648 PWs) bands (ev): -28.4363 -28.4363 -11.2877 -11.2877 -10.1862 -10.1862 -10.1242 -10.1242 -2.2597 -2.2597 -2.0288 -2.0288 -0.2015 -0.2015 -0.1866 -0.1866 -0.1287 -0.1287 -0.0426 -0.0426 0.1327 0.1327 0.1395 0.1395 0.1780 0.1780 0.2270 0.2270 0.3409 0.3409 0.4019 0.4019 1.9783 1.9783 2.7988 2.7988 4.5801 4.5801 5.1665 5.1665 5.2559 5.2559 5.9905 5.9905 7.6200 7.6200 9.5045 9.5045 9.6973 9.6973 11.1311 11.1311 k = 0.4878 0.2816-0.0000 ( 4644 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2496 -2.2496 -2.0316 -2.0316 -0.2014 -0.2014 -0.1865 -0.1865 -0.1277 -0.1277 -0.0416 -0.0416 0.1340 0.1340 0.1381 0.1381 0.1781 0.1781 0.2279 0.2279 0.3553 0.3553 0.3890 0.3890 1.9655 1.9655 2.7887 2.7887 4.6007 4.6007 5.1678 5.1678 5.2290 5.2290 5.9858 5.9858 7.6148 7.6148 9.5035 9.5035 9.6949 9.6949 11.1512 11.1512 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2461 -2.2461 -2.0326 -2.0326 -0.2013 -0.2013 -0.1865 -0.1865 -0.1274 -0.1274 -0.0412 -0.0412 0.1346 0.1346 0.1374 0.1374 0.1781 0.1781 0.2281 0.2281 0.3646 0.3646 0.3802 0.3802 1.9613 1.9613 2.7853 2.7853 4.6079 4.6079 5.1694 5.1694 5.2185 5.2185 5.9843 5.9843 7.6130 7.6130 9.5031 9.5031 9.6941 9.6941 11.1581 11.1581 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2461 -2.2461 -2.0326 -2.0326 -0.2013 -0.2013 -0.1865 -0.1865 -0.1274 -0.1274 -0.0412 -0.0412 0.1346 0.1346 0.1374 0.1374 0.1781 0.1781 0.2281 0.2281 0.3646 0.3646 0.3802 0.3802 1.9613 1.9613 2.7853 2.7853 4.6079 4.6079 5.1694 5.1694 5.2185 5.2185 5.9843 5.9843 7.6130 7.6130 9.5031 9.5031 9.6941 9.6941 11.1581 11.1581 k = 0.4931 0.3007-0.0000 ( 4650 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.2456 -2.2456 -2.0324 -2.0324 -0.2013 -0.2013 -0.1865 -0.1865 -0.1276 -0.1276 -0.0410 -0.0410 0.1343 0.1343 0.1377 0.1377 0.1781 0.1781 0.2281 0.2281 0.3641 0.3641 0.3811 0.3811 1.9623 1.9623 2.7845 2.7845 4.6084 4.6084 5.1533 5.1533 5.2238 5.2238 5.9807 5.9807 7.6274 7.6274 9.5041 9.5041 9.6987 9.6987 11.1582 11.1582 k = 0.4861 0.3127-0.0000 ( 4658 PWs) bands (ev): -28.4363 -28.4363 -11.2880 -11.2880 -10.1864 -10.1864 -10.1246 -10.1246 -2.2441 -2.2441 -2.0317 -2.0317 -0.2013 -0.2013 -0.1864 -0.1864 -0.1281 -0.1281 -0.0403 -0.0403 0.1337 0.1337 0.1385 0.1385 0.1781 0.1781 0.2279 0.2279 0.3628 0.3628 0.3835 0.3835 1.9655 1.9655 2.7820 2.7820 4.6096 4.6096 5.1138 5.1138 5.2319 5.2319 5.9700 5.9700 7.6698 7.6698 9.5070 9.5070 9.7121 9.7121 11.1576 11.1576 k = 0.4792 0.3248-0.0000 ( 4654 PWs) bands (ev): -28.4363 -28.4363 -11.2880 -11.2880 -10.1861 -10.1861 -10.1251 -10.1251 -2.2415 -2.2415 -2.0306 -2.0306 -0.2012 -0.2012 -0.1863 -0.1863 -0.1289 -0.1289 -0.0391 -0.0391 0.1331 0.1331 0.1394 0.1394 0.1781 0.1781 0.2277 0.2277 0.3612 0.3612 0.3871 0.3871 1.9708 1.9708 2.7779 2.7779 4.6114 4.6114 5.0577 5.0577 5.2386 5.2386 5.9526 5.9526 7.7377 7.7377 9.5119 9.5119 9.7336 9.7336 11.1538 11.1538 k = 0.4722 0.3368-0.0000 ( 4648 PWs) bands (ev): -28.4363 -28.4363 -11.2881 -11.2881 -10.1857 -10.1857 -10.1258 -10.1258 -2.2380 -2.2380 -2.0291 -2.0291 -0.2010 -0.2010 -0.1860 -0.1860 -0.1300 -0.1300 -0.0375 -0.0375 0.1325 0.1325 0.1404 0.1404 0.1780 0.1780 0.2273 0.2273 0.3597 0.3597 0.3913 0.3913 1.9782 1.9782 2.7721 2.7721 4.6127 4.6127 4.9889 4.9889 5.2442 5.2442 5.9289 5.9289 7.8280 7.8280 9.5188 9.5188 9.7619 9.7619 11.1413 11.1413 k = 0.4653 0.3488-0.0000 ( 4654 PWs) bands (ev): -28.4362 -28.4362 -11.2882 -11.2882 -10.1853 -10.1853 -10.1266 -10.1266 -2.2334 -2.2334 -2.0273 -2.0273 -0.2009 -0.2009 -0.1858 -0.1858 -0.1313 -0.1313 -0.0356 -0.0356 0.1321 0.1321 0.1413 0.1413 0.1780 0.1780 0.2268 0.2268 0.3583 0.3583 0.3962 0.3962 1.9877 1.9877 2.7647 2.7647 4.6114 4.6114 4.9124 4.9124 5.2492 5.2492 5.8997 5.8997 7.9370 7.9370 9.5279 9.5279 9.7953 9.7953 11.1107 11.1107 k = 0.4583 0.3608-0.0000 ( 4657 PWs) bands (ev): -28.4362 -28.4362 -11.2883 -11.2883 -10.1847 -10.1847 -10.1276 -10.1276 -2.2280 -2.2280 -2.0251 -2.0251 -0.2006 -0.2006 -0.1855 -0.1855 -0.1329 -0.1329 -0.0334 -0.0334 0.1318 0.1318 0.1423 0.1423 0.1779 0.1779 0.2262 0.2262 0.3571 0.3571 0.4014 0.4014 1.9991 1.9991 2.7556 2.7556 4.6022 4.6022 4.8365 4.8365 5.2538 5.2538 5.8658 5.8658 8.0611 8.0611 9.5390 9.5390 9.8319 9.8319 11.0533 11.0533 k = 0.4514 0.3729-0.0000 ( 4651 PWs) bands (ev): -28.4362 -28.4362 -11.2884 -11.2884 -10.1841 -10.1841 -10.1288 -10.1288 -2.2216 -2.2216 -2.0227 -2.0227 -0.2004 -0.2004 -0.1851 -0.1851 -0.1345 -0.1345 -0.0309 -0.0309 0.1317 0.1317 0.1432 0.1432 0.1778 0.1778 0.2254 0.2254 0.3563 0.3563 0.4071 0.4071 2.0124 2.0124 2.7449 2.7449 4.5727 4.5727 4.7763 4.7763 5.2583 5.2583 5.8281 5.8281 8.1973 8.1973 9.5522 9.5522 9.8695 9.8695 10.9708 10.9708 k = 0.4444 0.3849-0.0000 ( 4643 PWs) bands (ev): -28.4361 -28.4361 -11.2885 -11.2885 -10.1834 -10.1834 -10.1302 -10.1302 -2.2144 -2.2144 -2.0201 -2.0201 -0.2001 -0.2001 -0.1846 -0.1846 -0.1362 -0.1362 -0.0282 -0.0282 0.1318 0.1318 0.1441 0.1441 0.1777 0.1777 0.2245 0.2245 0.3558 0.3558 0.4132 0.4132 2.0276 2.0276 2.7326 2.7326 4.5109 4.5109 4.7463 4.7463 5.2624 5.2624 5.7876 5.7876 8.3428 8.3428 9.5674 9.5674 9.9060 9.9060 10.8732 10.8732 k = 0.4375 0.3969-0.0000 ( 4643 PWs) bands (ev): -28.4361 -28.4361 -11.2887 -11.2887 -10.1826 -10.1826 -10.1316 -10.1316 -2.2063 -2.2063 -2.0173 -2.0173 -0.1998 -0.1998 -0.1841 -0.1841 -0.1380 -0.1380 -0.0254 -0.0254 0.1321 0.1321 0.1450 0.1450 0.1776 0.1776 0.2234 0.2234 0.3556 0.3556 0.4196 0.4196 2.0445 2.0445 2.7186 2.7186 4.4245 4.4245 4.7406 4.7406 5.2659 5.2659 5.7453 5.7453 8.4951 8.4951 9.5848 9.5848 9.9394 9.9394 10.7691 10.7691 k = 0.4306 0.4090-0.0000 ( 4645 PWs) bands (ev): -28.4361 -28.4361 -11.2889 -11.2889 -10.1817 -10.1817 -10.1332 -10.1332 -2.1975 -2.1975 -2.0145 -2.0145 -0.1995 -0.1995 -0.1835 -0.1835 -0.1399 -0.1399 -0.0225 -0.0225 0.1326 0.1326 0.1459 0.1459 0.1774 0.1774 0.2221 0.2221 0.3556 0.3556 0.4261 0.4261 2.0630 2.0630 2.7031 2.7031 4.3272 4.3272 4.7473 4.7473 5.2687 5.2687 5.7021 5.7021 8.6521 8.6521 9.6042 9.6042 9.9679 9.9679 10.6639 10.6639 k = 0.4236 0.4210-0.0000 ( 4649 PWs) bands (ev): -28.4360 -28.4360 -11.2890 -11.2890 -10.1807 -10.1807 -10.1349 -10.1349 -2.1880 -2.1880 -2.0118 -2.0118 -0.1992 -0.1992 -0.1829 -0.1829 -0.1417 -0.1417 -0.0195 -0.0195 0.1333 0.1333 0.1468 0.1468 0.1773 0.1773 0.2207 0.2207 0.3560 0.3560 0.4328 0.4328 2.0830 2.0830 2.6862 2.6862 4.2264 4.2264 4.7605 4.7605 5.2703 5.2703 5.6589 5.6589 8.8114 8.8114 9.6259 9.6259 9.9907 9.9907 10.5607 10.5607 k = 0.4167 0.4330-0.0000 ( 4653 PWs) bands (ev): -28.4360 -28.4360 -11.2892 -11.2892 -10.1797 -10.1797 -10.1367 -10.1367 -2.1779 -2.1779 -2.0093 -2.0093 -0.1988 -0.1988 -0.1822 -0.1822 -0.1435 -0.1435 -0.0166 -0.0166 0.1341 0.1341 0.1478 0.1478 0.1770 0.1770 0.2192 0.2192 0.3567 0.3567 0.4396 0.4396 2.1042 2.1042 2.6678 2.6678 4.1258 4.1258 4.7778 4.7778 5.2704 5.2704 5.6166 5.6166 8.9710 8.9710 9.6501 9.6501 10.0073 10.0073 10.4618 10.4618 k = 0.4097 0.4450-0.0000 ( 4653 PWs) bands (ev): -28.4359 -28.4359 -11.2894 -11.2894 -10.1786 -10.1786 -10.1386 -10.1386 -2.1672 -2.1672 -2.0070 -2.0070 -0.1985 -0.1985 -0.1814 -0.1814 -0.1452 -0.1452 -0.0137 -0.0137 0.1351 0.1351 0.1490 0.1490 0.1768 0.1768 0.2175 0.2175 0.3577 0.3577 0.4463 0.4463 2.1264 2.1264 2.6482 2.6482 4.0276 4.0276 4.7981 4.7981 5.2685 5.2685 5.5759 5.5759 9.1279 9.1279 9.6773 9.6773 10.0182 10.0182 10.3688 10.3688 k = 0.4028 0.4571-0.0000 ( 4653 PWs) bands (ev): -28.4359 -28.4359 -11.2896 -11.2896 -10.1774 -10.1774 -10.1405 -10.1405 -2.1561 -2.1561 -2.0051 -2.0051 -0.1982 -0.1982 -0.1805 -0.1805 -0.1469 -0.1469 -0.0109 -0.0109 0.1360 0.1360 0.1503 0.1503 0.1765 0.1765 0.2158 0.2158 0.3590 0.3590 0.4528 0.4528 2.1493 2.1493 2.6275 2.6275 3.9333 3.9333 4.8208 4.8208 5.2645 5.2645 5.5374 5.5374 9.2781 9.2781 9.7088 9.7088 10.0241 10.0241 10.2838 10.2838 k = 0.3958 0.4691-0.0000 ( 4653 PWs) bands (ev): -28.4358 -28.4358 -11.2898 -11.2898 -10.1762 -10.1762 -10.1424 -10.1424 -2.1446 -2.1446 -2.0037 -2.0037 -0.1979 -0.1979 -0.1796 -0.1796 -0.1484 -0.1484 -0.0083 -0.0083 0.1370 0.1370 0.1518 0.1518 0.1763 0.1763 0.2140 0.2140 0.3605 0.3605 0.4590 0.4590 2.1728 2.1728 2.6059 2.6059 3.8442 3.8442 4.8456 4.8456 5.2579 5.2579 5.5017 5.5017 9.4153 9.4153 9.7468 9.7468 10.0267 10.0267 10.2096 10.2096 k = 0.3889 0.4811-0.0000 ( 4663 PWs) bands (ev): -28.4358 -28.4358 -11.2900 -11.2900 -10.1750 -10.1750 -10.1444 -10.1444 -2.1328 -2.1328 -2.0029 -2.0029 -0.1977 -0.1977 -0.1786 -0.1786 -0.1499 -0.1499 -0.0058 -0.0058 0.1378 0.1378 0.1535 0.1535 0.1759 0.1759 0.2121 0.2121 0.3624 0.3624 0.4648 0.4648 2.1962 2.1962 2.5837 2.5837 3.7613 3.7613 4.8722 4.8722 5.2487 5.2487 5.4690 5.4690 9.5294 9.5294 9.7930 9.7930 10.0273 10.0273 10.1533 10.1533 k = 0.3819 0.4932-0.0000 ( 4657 PWs) bands (ev): -28.4358 -28.4358 -11.2901 -11.2901 -10.1738 -10.1738 -10.1463 -10.1463 -2.1209 -2.1209 -2.0030 -2.0030 -0.1975 -0.1975 -0.1777 -0.1777 -0.1512 -0.1512 -0.0034 -0.0034 0.1385 0.1385 0.1555 0.1555 0.1756 0.1756 0.2103 0.2103 0.3645 0.3645 0.4701 0.4701 2.2193 2.2193 2.5612 2.5612 3.6858 3.6858 4.9005 4.9005 5.2372 5.2372 5.4391 5.4391 9.6112 9.6112 9.8400 9.8400 10.0219 10.0219 10.1360 10.1360 k = 0.3750 0.5052-0.0000 ( 4665 PWs) bands (ev): -28.4357 -28.4357 -11.2903 -11.2903 -10.1726 -10.1726 -10.1481 -10.1481 -2.1088 -2.1088 -2.0039 -2.0039 -0.1973 -0.1973 -0.1767 -0.1767 -0.1524 -0.1524 -0.0013 -0.0013 0.1390 0.1390 0.1577 0.1577 0.1752 0.1752 0.2085 0.2085 0.3667 0.3667 0.4747 0.4747 2.2416 2.2416 2.5389 2.5389 3.6185 3.6185 4.9302 4.9302 5.2238 5.2238 5.4118 5.4118 9.6623 9.6623 9.8662 9.8662 10.0044 10.0044 10.1836 10.1836 k = 0.3681 0.5172-0.0000 ( 4665 PWs) bands (ev): -28.4357 -28.4357 -11.2905 -11.2905 -10.1714 -10.1714 -10.1499 -10.1499 -2.0968 -2.0968 -2.0058 -2.0058 -0.1971 -0.1971 -0.1758 -0.1758 -0.1535 -0.1535 0.0005 0.0005 0.1394 0.1394 0.1599 0.1599 0.1748 0.1748 0.2068 0.2068 0.3691 0.3691 0.4785 0.4785 2.2623 2.2623 2.5172 2.5172 3.5602 3.5602 4.9609 4.9609 5.2094 5.2094 5.3864 5.3864 9.6906 9.6906 9.8688 9.8688 9.9864 9.9864 10.2791 10.2791 k = 0.3611 0.5292-0.0000 ( 4665 PWs) bands (ev): -28.4357 -28.4357 -11.2906 -11.2906 -10.1702 -10.1702 -10.1515 -10.1515 -2.0850 -2.0850 -2.0089 -2.0089 -0.1970 -0.1970 -0.1749 -0.1749 -0.1544 -0.1544 0.0021 0.0021 0.1397 0.1397 0.1621 0.1621 0.1746 0.1746 0.2052 0.2052 0.3716 0.3716 0.4815 0.4815 2.2810 2.2810 2.4970 2.4970 3.5119 3.5119 4.9921 4.9921 5.1948 5.1948 5.3625 5.3625 9.7016 9.7016 9.8658 9.8658 9.9723 9.9723 10.3939 10.3939 k = 0.3542 0.5413-0.0000 ( 4669 PWs) bands (ev): -28.4356 -28.4356 -11.2907 -11.2907 -10.1692 -10.1692 -10.1528 -10.1528 -2.0735 -2.0735 -2.0132 -2.0132 -0.1969 -0.1969 -0.1742 -0.1742 -0.1551 -0.1551 0.0034 0.0034 0.1398 0.1398 0.1639 0.1639 0.1744 0.1744 0.2038 0.2038 0.3739 0.3739 0.4836 0.4836 2.2968 2.2968 2.4790 2.4790 3.4739 3.4739 5.0227 5.0227 5.1810 5.1810 5.3400 5.3400 9.7000 9.7000 9.8677 9.8677 9.9612 9.9612 10.5123 10.5123 k = 0.3472 0.5533-0.0000 ( 4677 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1684 -10.1684 -10.1539 -10.1539 -2.0627 -2.0627 -2.0186 -2.0186 -0.1969 -0.1969 -0.1737 -0.1737 -0.1556 -0.1556 0.0043 0.0043 0.1399 0.1399 0.1653 0.1653 0.1743 0.1743 0.2028 0.2028 0.3760 0.3760 0.4848 0.4848 2.3089 2.3089 2.4646 2.4646 3.4469 3.4469 5.0507 5.0507 5.1692 5.1692 5.3198 5.3198 9.6927 9.6927 9.8736 9.8736 9.9528 9.9528 10.6243 10.6243 k = 0.3403 0.5653-0.0000 ( 4673 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1679 -10.1679 -10.1546 -10.1546 -2.0533 -2.0533 -2.0246 -2.0246 -0.1968 -0.1968 -0.1733 -0.1733 -0.1559 -0.1559 0.0049 0.0049 0.1399 0.1399 0.1662 0.1662 0.1744 0.1744 0.2021 0.2021 0.3774 0.3774 0.4855 0.4855 2.3163 2.3163 2.4551 2.4551 3.4308 3.4308 5.0718 5.0718 5.1611 5.1611 5.3042 5.3042 9.6857 9.6857 9.8792 9.8792 9.9478 9.9478 10.7160 10.7160 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1559 -0.1559 0.0052 0.0052 0.1399 0.1399 0.1664 0.1664 0.1744 0.1744 0.2019 0.2019 0.3780 0.3780 0.4856 0.4856 2.3186 2.3186 2.4519 2.4519 3.4255 3.4255 5.0800 5.0800 5.1586 5.1586 5.2978 5.2978 9.6829 9.6829 9.8814 9.8814 9.9463 9.9463 10.7543 10.7543 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1559 -0.1559 0.0052 0.0052 0.1399 0.1399 0.1664 0.1664 0.1744 0.1744 0.2019 0.2019 0.3780 0.3780 0.4856 0.4856 2.3186 2.3186 2.4519 2.4519 3.4255 3.4255 5.0800 5.0800 5.1586 5.1586 5.2978 5.2978 9.6829 9.6829 9.8814 9.8814 9.9463 9.9463 10.7543 10.7543 k = 0.3262 0.5651-0.0000 ( 4677 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1679 -10.1679 -10.1546 -10.1546 -2.0540 -2.0540 -2.0241 -2.0241 -0.1968 -0.1968 -0.1733 -0.1733 -0.1559 -0.1559 0.0049 0.0049 0.1399 0.1399 0.1662 0.1662 0.1743 0.1743 0.2021 0.2021 0.3773 0.3773 0.4856 0.4856 2.3167 2.3167 2.4552 2.4552 3.4308 3.4308 5.0719 5.0719 5.1595 5.1595 5.3059 5.3059 9.6863 9.6863 9.8794 9.8794 9.9469 9.9469 10.7297 10.7297 k = 0.3191 0.5528-0.0000 ( 4677 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1683 -10.1683 -10.1540 -10.1540 -2.0658 -2.0658 -2.0163 -2.0163 -0.1968 -0.1968 -0.1737 -0.1737 -0.1557 -0.1557 0.0042 0.0042 0.1399 0.1399 0.1657 0.1657 0.1739 0.1739 0.2027 0.2027 0.3749 0.3749 0.4856 0.4856 2.3122 2.3122 2.4644 2.4644 3.4461 3.4461 5.0506 5.0506 5.1600 5.1600 5.3295 5.3295 9.6969 9.6969 9.8747 9.8747 9.9466 9.9466 10.6854 10.6854 k = 0.3121 0.5405-0.0000 ( 4681 PWs) bands (ev): -28.4357 -28.4357 -11.2907 -11.2907 -10.1690 -10.1690 -10.1530 -10.1530 -2.0808 -2.0808 -2.0082 -2.0082 -0.1969 -0.1969 -0.1742 -0.1742 -0.1555 -0.1555 0.0030 0.0030 0.1400 0.1400 0.1649 0.1649 0.1731 0.1731 0.2036 0.2036 0.3707 0.3707 0.4860 0.4860 2.3074 2.3074 2.4788 2.4788 3.4705 3.4705 5.0196 5.0196 5.1610 5.1610 5.3644 5.3644 9.7150 9.7150 9.8683 9.8683 9.9429 9.9429 10.6368 10.6368 k = 0.3050 0.5282-0.0000 ( 4677 PWs) bands (ev): -28.4357 -28.4357 -11.2905 -11.2905 -10.1696 -10.1696 -10.1518 -10.1518 -2.0983 -2.0983 -2.0007 -2.0007 -0.1970 -0.1970 -0.1748 -0.1748 -0.1553 -0.1553 0.0013 0.0013 0.1401 0.1401 0.1638 0.1638 0.1721 0.1721 0.2046 0.2046 0.3645 0.3645 0.4869 0.4869 2.3040 2.3040 2.4977 2.4977 3.5029 3.5029 4.9816 4.9816 5.1645 5.1645 5.4064 5.4064 9.7403 9.7403 9.8606 9.8606 9.9347 9.9347 10.5868 10.5868 k = 0.2979 0.5159-0.0000 ( 4683 PWs) bands (ev): -28.4357 -28.4357 -11.2903 -11.2903 -10.1703 -10.1703 -10.1505 -10.1505 -2.1182 -2.1182 -1.9940 -1.9940 -0.1971 -0.1971 -0.1756 -0.1756 -0.1552 -0.1552 -0.0010 -0.0010 0.1404 0.1404 0.1626 0.1626 0.1710 0.1710 0.2056 0.2056 0.3567 0.3567 0.4880 0.4880 2.3033 2.3033 2.5211 2.5211 3.5423 3.5423 4.9386 4.9386 5.1711 5.1711 5.4530 5.4530 9.7716 9.7716 9.8513 9.8513 9.9229 9.9229 10.5361 10.5361 k = 0.2908 0.5036-0.0000 ( 4681 PWs) bands (ev): -28.4358 -28.4358 -11.2900 -11.2900 -10.1709 -10.1709 -10.1491 -10.1491 -2.1404 -2.1404 -1.9882 -1.9882 -0.1973 -0.1973 -0.1765 -0.1765 -0.1553 -0.1553 -0.0038 -0.0038 0.1407 0.1407 0.1611 0.1611 0.1699 0.1699 0.2064 0.2064 0.3475 0.3475 0.4894 0.4894 2.3064 2.3064 2.5489 2.5489 3.5875 3.5875 4.8923 4.8923 5.1812 5.1812 5.5028 5.5028 9.8001 9.8001 9.8454 9.8454 9.9104 9.9104 10.4848 10.4848 k = 0.2837 0.4914-0.0000 ( 4681 PWs) bands (ev): -28.4358 -28.4358 -11.2896 -11.2896 -10.1714 -10.1714 -10.1477 -10.1477 -2.1649 -2.1649 -1.9834 -1.9834 -0.1975 -0.1975 -0.1774 -0.1774 -0.1555 -0.1555 -0.0072 -0.0072 0.1410 0.1410 0.1593 0.1593 0.1688 0.1688 0.2071 0.2071 0.3373 0.3373 0.4905 0.4905 2.3138 2.3138 2.5811 2.5811 3.6375 3.6375 4.8439 4.8439 5.1948 5.1948 5.5552 5.5552 9.7926 9.7926 9.8703 9.8703 9.9032 9.9032 10.4328 10.4328 k = 0.2766 0.4791-0.0000 ( 4681 PWs) bands (ev): -28.4359 -28.4359 -11.2892 -11.2892 -10.1717 -10.1717 -10.1462 -10.1462 -2.1917 -2.1917 -1.9798 -1.9798 -0.1977 -0.1977 -0.1784 -0.1784 -0.1560 -0.1560 -0.0112 -0.0112 0.1414 0.1414 0.1573 0.1573 0.1678 0.1678 0.2074 0.2074 0.3267 0.3267 0.4913 0.4913 2.3263 2.3263 2.6176 2.6176 3.6913 3.6913 4.7947 4.7947 5.2117 5.2117 5.6097 5.6097 9.7597 9.7597 9.8859 9.8859 9.9313 9.9313 10.3804 10.3804 k = 0.2695 0.4668-0.0000 ( 4681 PWs) bands (ev): -28.4360 -28.4360 -11.2888 -11.2888 -10.1719 -10.1719 -10.1447 -10.1447 -2.2206 -2.2206 -1.9772 -1.9772 -0.1980 -0.1980 -0.1794 -0.1794 -0.1567 -0.1567 -0.0157 -0.0157 0.1418 0.1418 0.1553 0.1553 0.1669 0.1669 0.2075 0.2075 0.3162 0.3162 0.4914 0.4914 2.3441 2.3441 2.6582 2.6582 3.7478 3.7478 4.7461 4.7461 5.2320 5.2320 5.6660 5.6660 9.7165 9.7165 9.8839 9.8839 9.9879 9.9879 10.3277 10.3277 k = 0.2624 0.4545-0.0000 ( 4673 PWs) bands (ev): -28.4361 -28.4361 -11.2882 -11.2882 -10.1720 -10.1720 -10.1431 -10.1431 -2.2515 -2.2515 -1.9758 -1.9758 -0.1984 -0.1984 -0.1805 -0.1805 -0.1577 -0.1577 -0.0206 -0.0206 0.1420 0.1420 0.1533 0.1533 0.1659 0.1659 0.2072 0.2072 0.3061 0.3061 0.4907 0.4907 2.3678 2.3678 2.7026 2.7026 3.8058 3.8058 4.6996 4.6996 5.2556 5.2556 5.7238 5.7238 9.6671 9.6671 9.8819 9.8819 10.0515 10.0515 10.2757 10.2757 k = 0.2553 0.4422-0.0000 ( 4675 PWs) bands (ev): -28.4362 -28.4362 -11.2876 -11.2876 -10.1720 -10.1720 -10.1416 -10.1416 -2.2844 -2.2844 -1.9755 -1.9755 -0.1988 -0.1988 -0.1816 -0.1816 -0.1591 -0.1591 -0.0260 -0.0260 0.1416 0.1416 0.1517 0.1517 0.1650 0.1650 0.2066 0.2066 0.2967 0.2967 0.4889 0.4889 2.3974 2.3974 2.7504 2.7504 3.8636 3.8636 4.6570 4.6570 5.2824 5.2824 5.7832 5.7832 9.6138 9.6138 9.8805 9.8805 10.1163 10.1163 10.2276 10.2276 k = 0.2482 0.4299-0.0000 ( 4675 PWs) bands (ev): -28.4363 -28.4363 -11.2869 -11.2869 -10.1718 -10.1718 -10.1400 -10.1400 -2.3191 -2.3191 -1.9764 -1.9764 -0.1993 -0.1993 -0.1827 -0.1827 -0.1607 -0.1607 -0.0316 -0.0316 0.1405 0.1405 0.1508 0.1508 0.1640 0.1640 0.2057 0.2057 0.2884 0.2884 0.4861 0.4861 2.4332 2.4332 2.8008 2.8008 3.9196 3.9196 4.6208 4.6208 5.3123 5.3123 5.8438 5.8438 9.5581 9.5581 9.8790 9.8790 10.1443 10.1443 10.2205 10.2205 k = 0.2411 0.4177-0.0000 ( 4671 PWs) bands (ev): -28.4365 -28.4365 -11.2862 -11.2862 -10.1714 -10.1714 -10.1384 -10.1384 -2.3555 -2.3555 -1.9784 -1.9784 -0.1999 -0.1999 -0.1838 -0.1838 -0.1626 -0.1626 -0.0375 -0.0375 0.1386 0.1386 0.1505 0.1505 0.1629 0.1629 0.2047 0.2047 0.2812 0.2812 0.4823 0.4823 2.4751 2.4751 2.8530 2.8530 3.9714 3.9714 4.5940 4.5940 5.3454 5.3454 5.9055 5.9055 9.5012 9.5012 9.8769 9.8769 10.1036 10.1036 10.2857 10.2857 k = 0.2340 0.4054-0.0000 ( 4667 PWs) bands (ev): -28.4366 -28.4366 -11.2854 -11.2854 -10.1709 -10.1709 -10.1368 -10.1368 -2.3933 -2.3933 -1.9816 -1.9816 -0.2007 -0.2007 -0.1849 -0.1849 -0.1648 -0.1648 -0.0435 -0.0435 0.1361 0.1361 0.1505 0.1505 0.1618 0.1618 0.2036 0.2036 0.2752 0.2752 0.4775 0.4775 2.5232 2.5232 2.9060 2.9060 4.0163 4.0163 4.5802 4.5802 5.3815 5.3815 5.9683 5.9683 9.4441 9.4441 9.8728 9.8728 10.0543 10.0543 10.3619 10.3619 k = 0.2270 0.3931-0.0000 ( 4671 PWs) bands (ev): -28.4367 -28.4367 -11.2845 -11.2845 -10.1703 -10.1703 -10.1352 -10.1352 -2.4325 -2.4325 -1.9858 -1.9858 -0.2016 -0.2016 -0.1860 -0.1860 -0.1673 -0.1673 -0.0496 -0.0496 0.1332 0.1332 0.1504 0.1504 0.1609 0.1609 0.2025 0.2025 0.2702 0.2702 0.4717 0.4717 2.5772 2.5772 2.9582 2.9582 4.0523 4.0523 4.5827 4.5827 5.4205 5.4205 6.0320 6.0320 9.3875 9.3875 9.8649 9.8649 10.0066 10.0066 10.4185 10.4185 k = 0.2199 0.3808-0.0000 ( 4669 PWs) bands (ev): -28.4369 -28.4369 -11.2836 -11.2836 -10.1696 -10.1696 -10.1335 -10.1335 -2.4727 -2.4727 -1.9911 -1.9911 -0.2027 -0.2027 -0.1871 -0.1871 -0.1700 -0.1700 -0.0555 -0.0555 0.1302 0.1302 0.1498 0.1498 0.1605 0.1605 0.2018 0.2018 0.2661 0.2661 0.4650 0.4650 2.6372 2.6372 3.0080 3.0080 4.0793 4.0793 4.6034 4.6034 5.4626 5.4626 6.0965 6.0965 9.3319 9.3319 9.8489 9.8489 9.9654 9.9654 10.3961 10.3961 k = 0.2128 0.3685-0.0000 ( 4671 PWs) bands (ev): -28.4371 -28.4371 -11.2827 -11.2827 -10.1688 -10.1688 -10.1318 -10.1318 -2.5139 -2.5139 -1.9974 -1.9974 -0.2039 -0.2039 -0.1882 -0.1882 -0.1728 -0.1728 -0.0612 -0.0612 0.1271 0.1271 0.1484 0.1484 0.1605 0.1605 0.2014 0.2014 0.2629 0.2629 0.4577 0.4577 2.7026 2.7026 3.0534 3.0534 4.1003 4.1003 4.6410 4.6410 5.5074 5.5074 6.1616 6.1616 9.2779 9.2779 9.8195 9.8195 9.9361 9.9361 10.3605 10.3605 k = 0.2057 0.3562-0.0000 ( 4669 PWs) bands (ev): -28.4373 -28.4373 -11.2816 -11.2816 -10.1679 -10.1679 -10.1301 -10.1301 -2.5557 -2.5557 -2.0046 -2.0046 -0.2054 -0.2054 -0.1893 -0.1893 -0.1757 -0.1757 -0.0667 -0.0667 0.1240 0.1240 0.1463 0.1463 0.1611 0.1611 0.2014 0.2014 0.2602 0.2602 0.4498 0.4498 2.7732 2.7732 3.0923 3.0923 4.1205 4.1205 4.6925 4.6925 5.5552 5.5552 6.2272 6.2272 9.2258 9.2258 9.7766 9.7766 9.9187 9.9187 10.3217 10.3217 k = 0.1986 0.3440-0.0000 ( 4661 PWs) bands (ev): -28.4374 -28.4374 -11.2806 -11.2806 -10.1669 -10.1669 -10.1283 -10.1283 -2.5980 -2.5980 -2.0126 -2.0126 -0.2070 -0.2070 -0.1906 -0.1906 -0.1784 -0.1784 -0.0719 -0.0719 0.1210 0.1210 0.1439 0.1439 0.1620 0.1620 0.2018 0.2018 0.2581 0.2581 0.4415 0.4415 2.8482 2.8482 3.1230 3.1230 4.1456 4.1456 4.7542 4.7542 5.6056 5.6056 6.2931 6.2931 9.1760 9.1760 9.7253 9.7253 9.9081 9.9081 10.2807 10.2807 k = 0.1915 0.3317-0.0000 ( 4665 PWs) bands (ev): -28.4376 -28.4376 -11.2794 -11.2794 -10.1659 -10.1659 -10.1264 -10.1264 -2.6407 -2.6407 -2.0214 -2.0214 -0.2089 -0.2089 -0.1922 -0.1922 -0.1809 -0.1809 -0.0768 -0.0768 0.1181 0.1181 0.1411 0.1411 0.1629 0.1629 0.2027 0.2027 0.2563 0.2563 0.4328 0.4328 2.9259 2.9259 3.1452 3.1452 4.1802 4.1802 4.8230 4.8230 5.6588 5.6588 6.3592 6.3592 9.1287 9.1287 9.6692 9.6692 9.9004 9.9004 10.2382 10.2382 k = 0.1844 0.3194-0.0000 ( 4663 PWs) bands (ev): -28.4378 -28.4378 -11.2783 -11.2783 -10.1649 -10.1649 -10.1245 -10.1245 -2.6834 -2.6834 -2.0310 -2.0310 -0.2109 -0.2109 -0.1942 -0.1942 -0.1828 -0.1828 -0.0813 -0.0813 0.1153 0.1153 0.1383 0.1383 0.1640 0.1640 0.2039 0.2039 0.2547 0.2547 0.4240 0.4240 3.0018 3.0018 3.1627 3.1627 4.2271 4.2271 4.8964 4.8964 5.7145 5.7145 6.4253 6.4253 9.0842 9.0842 9.6098 9.6098 9.8939 9.8939 10.1946 10.1946 k = 0.1773 0.3071-0.0000 ( 4663 PWs) bands (ev): -28.4380 -28.4380 -11.2771 -11.2771 -10.1638 -10.1638 -10.1225 -10.1225 -2.7260 -2.7260 -2.0411 -2.0411 -0.2130 -0.2130 -0.1968 -0.1968 -0.1840 -0.1840 -0.0854 -0.0854 0.1127 0.1127 0.1354 0.1354 0.1649 0.1649 0.2054 0.2054 0.2534 0.2534 0.4151 0.4151 3.0599 3.0599 3.1915 3.1915 4.2872 4.2872 4.9727 4.9727 5.7728 5.7728 6.4913 6.4913 9.0426 9.0426 9.5478 9.5478 9.8881 9.8881 10.1502 10.1502 k = 0.1702 0.2948-0.0000 ( 4667 PWs) bands (ev): -28.4382 -28.4382 -11.2759 -11.2759 -10.1628 -10.1628 -10.1204 -10.1204 -2.7683 -2.7683 -2.0518 -2.0518 -0.2153 -0.2153 -0.1997 -0.1997 -0.1848 -0.1848 -0.0893 -0.0893 0.1103 0.1103 0.1325 0.1325 0.1658 0.1658 0.2072 0.2072 0.2522 0.2522 0.4063 0.4063 3.0776 3.0776 3.2556 3.2556 4.3602 4.3602 5.0507 5.0507 5.8336 5.8336 6.5568 6.5568 9.0040 9.0040 9.4833 9.4833 9.8829 9.8829 10.1054 10.1054 k = 0.1631 0.2825-0.0000 ( 4663 PWs) bands (ev): -28.4385 -28.4385 -11.2747 -11.2747 -10.1618 -10.1618 -10.1182 -10.1182 -2.8101 -2.8101 -2.0628 -2.0628 -0.2177 -0.2177 -0.2028 -0.2028 -0.1852 -0.1852 -0.0928 -0.0928 0.1080 0.1080 0.1298 0.1298 0.1667 0.1667 0.2092 0.2092 0.2510 0.2510 0.3977 0.3977 3.0661 3.0661 3.3451 3.3451 4.4449 4.4449 5.1293 5.1293 5.8967 5.8967 6.6218 6.6218 8.9686 8.9686 9.4160 9.4160 9.8784 9.8784 10.0605 10.0605 k = 0.1560 0.2702-0.0000 ( 4663 PWs) bands (ev): -28.4387 -28.4387 -11.2735 -11.2735 -10.1608 -10.1608 -10.1160 -10.1160 -2.8513 -2.8513 -2.0743 -2.0743 -0.2201 -0.2201 -0.2060 -0.2060 -0.1853 -0.1853 -0.0961 -0.0961 0.1059 0.1059 0.1271 0.1271 0.1674 0.1674 0.2115 0.2115 0.2500 0.2500 0.3892 0.3892 3.0412 3.0412 3.4461 3.4461 4.5399 4.5399 5.2078 5.2078 5.9620 5.9620 6.6861 6.6861 8.9363 8.9363 9.3458 9.3458 9.8749 9.8749 10.0160 10.0160 k = 0.1489 0.2580-0.0000 ( 4663 PWs) bands (ev): -28.4389 -28.4389 -11.2723 -11.2723 -10.1599 -10.1599 -10.1136 -10.1136 -2.8917 -2.8917 -2.0859 -2.0859 -0.2226 -0.2226 -0.2091 -0.2091 -0.1851 -0.1851 -0.0991 -0.0991 0.1040 0.1040 0.1246 0.1246 0.1679 0.1679 0.2138 0.2138 0.2490 0.2490 0.3811 0.3811 3.0093 3.0093 3.5537 3.5537 4.6436 4.6436 5.2855 5.2855 6.0295 6.0295 6.7494 6.7494 8.9071 8.9071 9.2724 9.2724 9.8725 9.8725 9.9722 9.9722 k = 0.1418 0.2457-0.0000 ( 4663 PWs) bands (ev): -28.4391 -28.4391 -11.2711 -11.2711 -10.1591 -10.1591 -10.1112 -10.1112 -2.9311 -2.9311 -2.0977 -2.0977 -0.2250 -0.2250 -0.2122 -0.2122 -0.1848 -0.1848 -0.1018 -0.1018 0.1022 0.1022 0.1222 0.1222 0.1683 0.1683 0.2163 0.2163 0.2480 0.2480 0.3733 0.3733 2.9731 2.9731 3.6662 3.6662 4.7548 4.7548 5.3619 5.3619 6.0989 6.0989 6.8115 6.8115 8.8808 8.8808 9.1955 9.1955 9.8707 9.8707 9.9303 9.9303 k = 0.1348 0.2334-0.0000 ( 4665 PWs) bands (ev): -28.4393 -28.4393 -11.2699 -11.2699 -10.1583 -10.1583 -10.1087 -10.1087 -2.9694 -2.9694 -2.1096 -2.1096 -0.2275 -0.2275 -0.2152 -0.2152 -0.1844 -0.1844 -0.1044 -0.1044 0.1007 0.1007 0.1199 0.1199 0.1686 0.1686 0.2188 0.2188 0.2471 0.2471 0.3659 0.3659 2.9344 2.9344 3.7830 3.7830 4.8724 4.8724 5.4365 5.4365 6.1702 6.1702 6.8723 6.8723 8.8570 8.8570 9.1150 9.1150 9.8639 9.8639 9.8967 9.8967 k = 0.1277 0.2211-0.0000 ( 4657 PWs) bands (ev): -28.4395 -28.4395 -11.2687 -11.2687 -10.1576 -10.1576 -10.1062 -10.1062 -3.0065 -3.0065 -2.1215 -2.1215 -0.2299 -0.2299 -0.2181 -0.2181 -0.1838 -0.1838 -0.1068 -0.1068 0.0993 0.0993 0.1179 0.1179 0.1687 0.1687 0.2212 0.2212 0.2464 0.2464 0.3590 0.3590 2.8943 2.8943 3.9035 3.9035 4.9954 4.9954 5.5089 5.5089 6.2431 6.2431 6.9315 6.9315 8.8351 8.8351 9.0310 9.0310 9.8346 9.8346 9.8893 9.8893 k = 0.1206 0.2088-0.0000 ( 4645 PWs) bands (ev): -28.4397 -28.4397 -11.2675 -11.2675 -10.1569 -10.1569 -10.1037 -10.1037 -3.0422 -3.0422 -2.1332 -2.1332 -0.2321 -0.2321 -0.2208 -0.2208 -0.1831 -0.1831 -0.1090 -0.1090 0.0980 0.0980 0.1161 0.1161 0.1687 0.1687 0.2236 0.2236 0.2458 0.2458 0.3526 0.3526 2.8539 2.8539 4.0274 4.0274 5.1228 5.1228 5.5788 5.5788 6.3176 6.3176 6.9890 6.9890 8.8133 8.8133 8.9447 8.9447 9.7960 9.7960 9.8955 9.8955 k = 0.1135 0.1965-0.0000 ( 4653 PWs) bands (ev): -28.4399 -28.4399 -11.2664 -11.2664 -10.1563 -10.1563 -10.1011 -10.1011 -3.0764 -3.0764 -2.1448 -2.1448 -0.2344 -0.2344 -0.2234 -0.2234 -0.1824 -0.1824 -0.1111 -0.1111 0.0968 0.0968 0.1144 0.1144 0.1685 0.1685 0.2256 0.2256 0.2454 0.2454 0.3466 0.3466 2.8137 2.8137 4.1543 4.1543 5.2536 5.2536 5.6463 5.6463 6.3933 6.3933 7.0447 7.0447 8.7842 8.7842 8.8630 8.8630 9.7568 9.7568 9.9069 9.9069 k = 0.1064 0.1843-0.0000 ( 4651 PWs) bands (ev): -28.4401 -28.4401 -11.2653 -11.2653 -10.1558 -10.1558 -10.0985 -10.0985 -3.1091 -3.1091 -2.1560 -2.1560 -0.2365 -0.2365 -0.2258 -0.2258 -0.1816 -0.1816 -0.1130 -0.1130 0.0957 0.0957 0.1130 0.1130 0.1681 0.1681 0.2272 0.2272 0.2454 0.2454 0.3412 0.3412 2.7743 2.7743 4.2841 4.2841 5.3865 5.3865 5.7117 5.7117 6.4700 6.4700 7.0985 7.0985 8.7211 8.7211 8.8120 8.8120 9.7182 9.7182 9.9225 9.9225 k = 0.0993 0.1720-0.0000 ( 4645 PWs) bands (ev): -28.4403 -28.4403 -11.2642 -11.2642 -10.1553 -10.1553 -10.0960 -10.0960 -3.1401 -3.1401 -2.1669 -2.1669 -0.2385 -0.2385 -0.2281 -0.2281 -0.1807 -0.1807 -0.1149 -0.1149 0.0947 0.0947 0.1119 0.1119 0.1676 0.1676 0.2283 0.2283 0.2458 0.2458 0.3362 0.3362 2.7361 2.7361 4.4163 4.4163 5.5196 5.5196 5.7760 5.7760 6.5476 6.5476 7.1502 7.1502 8.6263 8.6263 8.7888 8.7888 9.6804 9.6804 9.9423 9.9423 k = 0.0922 0.1597-0.0000 ( 4645 PWs) bands (ev): -28.4405 -28.4405 -11.2632 -11.2632 -10.1549 -10.1549 -10.0935 -10.0935 -3.1693 -3.1693 -2.1774 -2.1774 -0.2404 -0.2404 -0.2302 -0.2302 -0.1797 -0.1797 -0.1166 -0.1166 0.0936 0.0936 0.1110 0.1110 0.1669 0.1669 0.2289 0.2289 0.2468 0.2468 0.3318 0.3318 2.6994 2.6994 4.5507 4.5507 5.6484 5.6484 5.8429 5.8429 6.6258 6.6258 7.2000 7.2000 8.5205 8.5205 8.7724 8.7724 9.6434 9.6434 9.9661 9.9661 k = 0.0851 0.1474-0.0000 ( 4639 PWs) bands (ev): -28.4407 -28.4407 -11.2623 -11.2623 -10.1546 -10.1546 -10.0911 -10.0911 -3.1967 -3.1967 -2.1874 -2.1874 -0.2422 -0.2422 -0.2322 -0.2322 -0.1788 -0.1788 -0.1182 -0.1182 0.0927 0.0927 0.1104 0.1104 0.1660 0.1660 0.2289 0.2289 0.2482 0.2482 0.3278 0.3278 2.6646 2.6646 4.6868 4.6868 5.7627 5.7627 5.9215 5.9215 6.7043 6.7043 7.2479 7.2479 8.4085 8.4085 8.7575 8.7575 9.6068 9.6068 9.9939 9.9939 k = 0.0780 0.1351-0.0000 ( 4627 PWs) bands (ev): -28.4408 -28.4408 -11.2614 -11.2614 -10.1543 -10.1543 -10.0888 -10.0888 -3.2221 -3.2221 -2.1968 -2.1968 -0.2438 -0.2438 -0.2340 -0.2340 -0.1777 -0.1777 -0.1197 -0.1197 0.0917 0.0917 0.1100 0.1100 0.1651 0.1651 0.2286 0.2286 0.2499 0.2499 0.3244 0.3244 2.6319 2.6319 4.8242 4.8242 5.8491 5.8491 6.0244 6.0244 6.7830 6.7830 7.2939 7.2939 8.2917 8.2917 8.7427 8.7427 9.5701 9.5701 10.0254 10.0254 k = 0.0709 0.1228-0.0000 ( 4623 PWs) bands (ev): -28.4410 -28.4410 -11.2606 -11.2606 -10.1540 -10.1540 -10.0866 -10.0866 -3.2455 -3.2455 -2.2056 -2.2056 -0.2452 -0.2452 -0.2356 -0.2356 -0.1767 -0.1767 -0.1212 -0.1212 0.0908 0.0908 0.1099 0.1099 0.1640 0.1640 0.2280 0.2280 0.2518 0.2518 0.3214 0.3214 2.6014 2.6014 4.9624 4.9624 5.9101 5.9101 6.1478 6.1478 6.8620 6.8620 7.3383 7.3383 8.1709 8.1709 8.7270 8.7270 9.5326 9.5326 10.0599 10.0599 k = 0.0638 0.1106-0.0000 ( 4623 PWs) bands (ev): -28.4411 -28.4411 -11.2598 -11.2598 -10.1538 -10.1538 -10.0846 -10.0846 -3.2669 -3.2669 -2.2137 -2.2137 -0.2466 -0.2466 -0.2371 -0.2371 -0.1758 -0.1758 -0.1225 -0.1225 0.0899 0.0899 0.1099 0.1099 0.1627 0.1627 0.2274 0.2274 0.2536 0.2536 0.3188 0.3188 2.5734 2.5734 5.1006 5.1006 5.9574 5.9574 6.2784 6.2784 6.9414 6.9414 7.3811 7.3811 8.0469 8.0469 8.7099 8.7099 9.4932 9.4932 10.0953 10.0953 k = 0.0567 0.0983-0.0000 ( 4619 PWs) bands (ev): -28.4413 -28.4413 -11.2591 -11.2591 -10.1536 -10.1536 -10.0827 -10.0827 -3.2862 -3.2862 -2.2211 -2.2211 -0.2477 -0.2477 -0.2385 -0.2385 -0.1748 -0.1748 -0.1237 -0.1237 0.0891 0.0891 0.1102 0.1102 0.1615 0.1615 0.2266 0.2266 0.2554 0.2554 0.3166 0.3166 2.5480 2.5480 5.2378 5.2378 5.9973 5.9973 6.4079 6.4079 7.0221 7.0221 7.4223 7.4223 7.9207 7.9207 8.6906 8.6906 9.4502 9.4502 10.1159 10.1159 k = 0.0496 0.0860-0.0000 ( 4615 PWs) bands (ev): -28.4414 -28.4414 -11.2585 -11.2585 -10.1535 -10.1535 -10.0810 -10.0810 -3.3033 -3.3033 -2.2277 -2.2277 -0.2488 -0.2488 -0.2397 -0.2397 -0.1739 -0.1739 -0.1248 -0.1248 0.0883 0.0883 0.1105 0.1105 0.1602 0.1602 0.2259 0.2259 0.2570 0.2570 0.3148 0.3148 2.5253 2.5253 5.3727 5.3727 6.0327 6.0327 6.5309 6.5309 7.1054 7.1054 7.4615 7.4615 7.7936 7.7936 8.6683 8.6683 9.4020 9.4020 10.0642 10.0642 k = 0.0426 0.0737-0.0000 ( 4613 PWs) bands (ev): -28.4415 -28.4415 -11.2579 -11.2579 -10.1533 -10.1533 -10.0794 -10.0794 -3.3183 -3.3183 -2.2336 -2.2336 -0.2497 -0.2497 -0.2407 -0.2407 -0.1730 -0.1730 -0.1258 -0.1258 0.0876 0.0876 0.1110 0.1110 0.1589 0.1589 0.2253 0.2253 0.2585 0.2585 0.3133 0.3133 2.5054 2.5054 5.5029 5.5029 6.0656 6.0656 6.6423 6.6423 7.1928 7.1928 7.4969 7.4969 7.6687 7.6687 8.6417 8.6417 9.3471 9.3471 9.9862 9.9862 k = 0.0355 0.0614-0.0000 ( 4617 PWs) bands (ev): -28.4416 -28.4416 -11.2575 -11.2575 -10.1532 -10.1532 -10.0781 -10.0781 -3.3310 -3.3310 -2.2385 -2.2385 -0.2505 -0.2505 -0.2416 -0.2416 -0.1723 -0.1723 -0.1267 -0.1267 0.0869 0.0869 0.1115 0.1115 0.1577 0.1577 0.2247 0.2247 0.2598 0.2598 0.3121 0.3121 2.4884 2.4884 5.6252 5.6252 6.0980 6.0980 6.7380 6.7380 7.2849 7.2849 7.5063 7.5063 7.5703 7.5703 8.6094 8.6094 9.2860 9.2860 9.9063 9.9063 k = 0.0284 0.0491-0.0000 ( 4623 PWs) bands (ev): -28.4416 -28.4416 -11.2571 -11.2571 -10.1532 -10.1532 -10.0770 -10.0770 -3.3414 -3.3414 -2.2427 -2.2427 -0.2511 -0.2511 -0.2424 -0.2424 -0.1716 -0.1716 -0.1275 -0.1275 0.0863 0.0863 0.1120 0.1120 0.1566 0.1566 0.2242 0.2242 0.2609 0.2609 0.3111 0.3111 2.4744 2.4744 5.7344 5.7344 6.1328 6.1328 6.8151 6.8151 7.3699 7.3699 7.4218 7.4218 7.5789 7.5789 8.5699 8.5699 9.2224 9.2224 9.8338 9.8338 k = 0.0213 0.0369-0.0000 ( 4631 PWs) bands (ev): -28.4417 -28.4417 -11.2568 -11.2568 -10.1531 -10.1531 -10.0762 -10.0762 -3.3495 -3.3495 -2.2459 -2.2459 -0.2516 -0.2516 -0.2430 -0.2430 -0.1711 -0.1711 -0.1281 -0.1281 0.0859 0.0859 0.1124 0.1124 0.1557 0.1557 0.2238 0.2238 0.2617 0.2617 0.3104 0.3104 2.4635 2.4635 5.8234 5.8234 6.1726 6.1726 6.8729 6.8729 7.2954 7.2954 7.4836 7.4836 7.6056 7.6056 8.5235 8.5235 9.1635 9.1635 9.7786 9.7786 k = 0.0142 0.0246-0.0000 ( 4629 PWs) bands (ev): -28.4417 -28.4417 -11.2566 -11.2566 -10.1531 -10.1531 -10.0755 -10.0755 -3.3553 -3.3553 -2.2482 -2.2482 -0.2520 -0.2520 -0.2434 -0.2434 -0.1707 -0.1707 -0.1285 -0.1285 0.0856 0.0856 0.1128 0.1128 0.1550 0.1550 0.2235 0.2235 0.2623 0.2623 0.3100 0.3100 2.4556 2.4556 5.8864 5.8864 6.2163 6.2163 6.9124 6.9124 7.2033 7.2033 7.5641 7.5641 7.6327 7.6327 8.4745 8.4745 9.1166 9.1166 9.7400 9.7400 k = 0.0071 0.0123-0.0000 ( 4625 PWs) bands (ev): -28.4417 -28.4417 -11.2565 -11.2565 -10.1530 -10.1530 -10.0752 -10.0752 -3.3588 -3.3588 -2.2496 -2.2496 -0.2522 -0.2522 -0.2436 -0.2436 -0.1704 -0.1704 -0.1288 -0.1288 0.0854 0.0854 0.1130 0.1130 0.1546 0.1546 0.2233 0.2233 0.2626 0.2626 0.3097 0.3097 2.4509 2.4509 5.9220 5.9220 6.2536 6.2536 6.9352 6.9352 7.1383 7.1383 7.6092 7.6092 7.6652 7.6652 8.4342 8.4342 9.0870 9.0870 9.7169 9.7169 k = 0.0000 0.0000 0.0000 ( 4621 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1530 -10.1530 -10.0750 -10.0750 -3.3600 -3.3600 -2.2501 -2.2501 -0.2522 -0.2522 -0.2437 -0.2437 -0.1703 -0.1703 -0.1288 -0.1288 0.0854 0.0854 0.1131 0.1131 0.1544 0.1544 0.2233 0.2233 0.2628 0.2628 0.3096 0.3096 2.4493 2.4493 5.9333 5.9333 6.2688 6.2688 6.9426 6.9426 7.1145 7.1145 7.6200 7.6200 7.6832 7.6832 8.4180 8.4180 9.0770 9.0770 9.7091 9.7091 k = 0.0000 0.0000 0.0000 ( 4621 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1530 -10.1530 -10.0750 -10.0750 -3.3600 -3.3600 -2.2501 -2.2501 -0.2522 -0.2522 -0.2437 -0.2437 -0.1703 -0.1703 -0.1288 -0.1288 0.0854 0.0854 0.1131 0.1131 0.1544 0.1544 0.2233 0.2233 0.2628 0.2628 0.3096 0.3096 2.4493 2.4493 5.9333 5.9333 6.2688 6.2688 6.9426 6.9426 7.1145 7.1145 7.6200 7.6200 7.6832 7.6832 8.4180 8.4180 9.0770 9.0770 9.7091 9.7091 k = 0.0000 0.0000 0.0139 ( 4627 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1530 -10.1530 -10.0750 -10.0750 -3.3590 -3.3590 -2.2516 -2.2516 -0.2523 -0.2523 -0.2437 -0.2437 -0.1703 -0.1703 -0.1290 -0.1290 0.0854 0.0854 0.1126 0.1126 0.1544 0.1544 0.2233 0.2233 0.2627 0.2627 0.3091 0.3091 2.4540 2.4540 5.9345 5.9345 6.2701 6.2701 6.9343 6.9343 7.1146 7.1146 7.5991 7.5991 7.6794 7.6794 8.4428 8.4428 9.0783 9.0783 9.7114 9.7114 k = 0.0000 0.0000 0.0278 ( 4645 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1531 -10.1531 -10.0750 -10.0750 -3.3561 -3.3561 -2.2561 -2.2561 -0.2523 -0.2523 -0.2437 -0.2437 -0.1704 -0.1704 -0.1296 -0.1296 0.0854 0.0854 0.1113 0.1113 0.1544 0.1544 0.2233 0.2233 0.2627 0.2627 0.3077 0.3077 2.4680 2.4680 5.9381 5.9381 6.2738 6.2738 6.9089 6.9089 7.1149 7.1149 7.5445 7.5445 7.6682 7.6682 8.5091 8.5091 9.0830 9.0830 9.7179 9.7179 k = 0.0000 0.0000 0.0417 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1531 -10.1531 -10.0750 -10.0750 -3.3513 -3.3513 -2.2636 -2.2636 -0.2524 -0.2524 -0.2436 -0.2436 -0.1703 -0.1703 -0.1305 -0.1305 0.0855 0.0855 0.1093 0.1093 0.1545 0.1545 0.2235 0.2235 0.2626 0.2626 0.3055 0.3055 2.4911 2.4911 5.9440 5.9440 6.2801 6.2801 6.8654 6.8654 7.1156 7.1156 7.4722 7.4722 7.6498 7.6498 8.5995 8.5995 9.0933 9.0933 9.7280 9.7280 k = 0.0000 0.0000 0.0555 ( 4615 PWs) bands (ev): -28.4418 -28.4418 -11.2564 -11.2564 -10.1531 -10.1531 -10.0750 -10.0750 -3.3447 -3.3447 -2.2739 -2.2739 -0.2525 -0.2525 -0.2434 -0.2434 -0.1703 -0.1703 -0.1317 -0.1317 0.0857 0.0857 0.1065 0.1065 0.1546 0.1546 0.2237 0.2237 0.2626 0.2626 0.3026 0.3026 2.5230 2.5230 5.9522 5.9522 6.2890 6.2890 6.8032 6.8032 7.1164 7.1164 7.3957 7.3957 7.6249 7.6249 8.6968 8.6968 9.1144 9.1144 9.7405 9.7405 k = 0.0000 0.0000 0.0694 ( 4615 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1531 -10.1531 -10.0750 -10.0750 -3.3362 -3.3362 -2.2870 -2.2870 -0.2526 -0.2526 -0.2433 -0.2433 -0.1702 -0.1702 -0.1333 -0.1333 0.0858 0.0858 0.1030 0.1030 0.1547 0.1547 0.2239 0.2239 0.2625 0.2625 0.2992 0.2992 2.5632 2.5632 5.9628 5.9628 6.3003 6.3003 6.7225 6.7225 7.1169 7.1169 7.3227 7.3227 7.5940 7.5940 8.7839 8.7839 9.1557 9.1557 9.7539 9.7539 k = 0.0000 0.0000 0.0833 ( 4627 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1532 -10.1532 -10.0750 -10.0750 -3.3259 -3.3259 -2.3026 -2.3026 -0.2528 -0.2528 -0.2432 -0.2432 -0.1702 -0.1702 -0.1352 -0.1352 0.0860 0.0860 0.0989 0.0989 0.1548 0.1548 0.2242 0.2242 0.2623 0.2623 0.2954 0.2954 2.6112 2.6112 5.9757 5.9757 6.3140 6.3140 6.6258 6.6258 7.1161 7.1161 7.2575 7.2575 7.5580 7.5580 8.8460 8.8460 9.2274 9.2274 9.7666 9.7666 k = 0.0000 0.0000 0.0972 ( 4639 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1532 -10.1532 -10.0750 -10.0750 -3.3140 -3.3140 -2.3205 -2.3205 -0.2530 -0.2530 -0.2430 -0.2430 -0.1702 -0.1702 -0.1373 -0.1373 0.0861 0.0861 0.0943 0.0943 0.1549 0.1549 0.2244 0.2244 0.2622 0.2622 0.2914 0.2914 2.6663 2.6663 5.9907 5.9907 6.3303 6.3303 6.5162 6.5162 7.1101 7.1101 7.2035 7.2035 7.5176 7.5176 8.8803 8.8803 9.3295 9.3295 9.7769 9.7769 k = 0.0000 0.0000 0.1111 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1533 -10.1533 -10.0750 -10.0750 -3.3006 -3.3006 -2.3405 -2.3405 -0.2531 -0.2531 -0.2428 -0.2428 -0.1701 -0.1701 -0.1397 -0.1397 0.0863 0.0863 0.0895 0.0895 0.1550 0.1550 0.2248 0.2248 0.2620 0.2620 0.2874 0.2874 2.7279 2.7279 6.0079 6.0079 6.3489 6.3489 6.3978 6.3978 7.0888 7.0888 7.1696 7.1696 7.4735 7.4735 8.8952 8.8952 9.4517 9.4517 9.7836 9.7836 k = 0.0000 0.0000 0.1250 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1533 -10.1533 -10.0750 -10.0750 -3.2857 -3.2857 -2.3623 -2.3623 -0.2533 -0.2533 -0.2427 -0.2427 -0.1700 -0.1700 -0.1423 -0.1423 0.0844 0.0844 0.0866 0.0866 0.1552 0.1552 0.2252 0.2252 0.2619 0.2619 0.2836 0.2836 2.7951 2.7951 6.0267 6.0267 6.2743 6.2743 6.3699 6.3699 7.0482 7.0482 7.1582 7.1582 7.4266 7.4266 8.8991 8.8991 9.5841 9.5841 9.7862 9.7862 k = 0.0000 0.0000 0.1389 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1534 -10.1534 -10.0750 -10.0750 -3.2697 -3.2697 -2.3856 -2.3856 -0.2535 -0.2535 -0.2425 -0.2425 -0.1700 -0.1700 -0.1451 -0.1451 0.0793 0.0793 0.0868 0.0868 0.1554 0.1554 0.2255 0.2255 0.2617 0.2617 0.2799 0.2799 2.8673 2.8673 6.0448 6.0448 6.1505 6.1505 6.3933 6.3933 6.9996 6.9996 7.1570 7.1570 7.3774 7.3774 8.8968 8.8968 9.7203 9.7203 9.7849 9.7849 k = 0.0000 0.0000 0.1527 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2565 -11.2565 -10.1534 -10.1534 -10.0750 -10.0750 -3.2525 -3.2525 -2.4099 -2.4099 -0.2537 -0.2537 -0.2423 -0.2423 -0.1699 -0.1699 -0.1479 -0.1479 0.0744 0.0744 0.0870 0.0870 0.1555 0.1555 0.2259 0.2259 0.2615 0.2615 0.2765 0.2765 2.9434 2.9434 6.0064 6.0064 6.0846 6.0846 6.4190 6.4190 6.9490 6.9490 7.1591 7.1591 7.3265 7.3265 8.8909 8.8909 9.7798 9.7798 9.8036 9.8036 k = 0.0000 0.0000 0.1666 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1535 -10.1535 -10.0750 -10.0750 -3.2346 -3.2346 -2.4349 -2.4349 -0.2539 -0.2539 -0.2422 -0.2422 -0.1698 -0.1698 -0.1507 -0.1507 0.0696 0.0696 0.0873 0.0873 0.1557 0.1557 0.2263 0.2263 0.2613 0.2613 0.2733 0.2733 3.0224 3.0224 5.8855 5.8855 6.1043 6.1043 6.4469 6.4469 6.8981 6.8981 7.1625 7.1625 7.2746 7.2746 8.8831 8.8831 9.7727 9.7727 9.7937 9.7937 k = 0.0000 0.0000 0.1805 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1535 -10.1535 -10.0750 -10.0750 -3.2163 -3.2163 -2.4602 -2.4602 -0.2541 -0.2541 -0.2420 -0.2420 -0.1697 -0.1697 -0.1535 -0.1535 0.0651 0.0651 0.0875 0.0875 0.1558 0.1558 0.2266 0.2266 0.2611 0.2611 0.2705 0.2705 3.1031 3.1031 5.7622 5.7622 6.1311 6.1311 6.4769 6.4769 6.8475 6.8475 7.1664 7.1664 7.2221 7.2221 8.8742 8.8742 9.7641 9.7641 9.7828 9.7828 k = 0.0000 0.0000 0.1944 ( 4639 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1536 -10.1536 -10.0750 -10.0750 -3.1978 -3.1978 -2.4851 -2.4851 -0.2542 -0.2542 -0.2419 -0.2419 -0.1696 -0.1696 -0.1562 -0.1562 0.0611 0.0611 0.0877 0.0877 0.1559 0.1559 0.2270 0.2270 0.2610 0.2610 0.2680 0.2680 3.1841 3.1841 5.6427 5.6427 6.1604 6.1604 6.5090 6.5090 6.7974 6.7974 7.1694 7.1694 7.1705 7.1705 8.8651 8.8651 9.7548 9.7548 9.7716 9.7716 k = 0.0000 0.0000 0.2083 ( 4651 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1537 -10.1537 -10.0750 -10.0750 -3.1797 -3.1797 -2.5091 -2.5091 -0.2544 -0.2544 -0.2417 -0.2417 -0.1695 -0.1695 -0.1588 -0.1588 0.0575 0.0575 0.0879 0.0879 0.1561 0.1561 0.2273 0.2273 0.2608 0.2608 0.2658 0.2658 3.2636 3.2636 5.5295 5.5295 6.1914 6.1914 6.5429 6.5429 6.7482 6.7482 7.1170 7.1170 7.1743 7.1743 8.8562 8.8562 9.7457 9.7457 9.7609 9.7609 k = 0.0000 0.0000 0.2222 ( 4645 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1537 -10.1537 -10.0750 -10.0750 -3.1626 -3.1626 -2.5315 -2.5315 -0.2545 -0.2545 -0.2416 -0.2416 -0.1694 -0.1694 -0.1611 -0.1611 0.0544 0.0544 0.0881 0.0881 0.1562 0.1562 0.2276 0.2276 0.2606 0.2606 0.2640 0.2640 3.3395 3.3395 5.4250 5.4250 6.2238 6.2238 6.5786 6.5786 6.7003 6.7003 7.0655 7.0655 7.1779 7.1779 8.8479 8.8479 9.7371 9.7371 9.7511 9.7511 k = 0.0000 0.0000 0.2361 ( 4633 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1537 -10.1537 -10.0750 -10.0750 -3.1470 -3.1470 -2.5515 -2.5515 -0.2546 -0.2546 -0.2415 -0.2415 -0.1692 -0.1692 -0.1631 -0.1631 0.0518 0.0518 0.0882 0.0882 0.1563 0.1563 0.2279 0.2279 0.2605 0.2605 0.2625 0.2625 3.4091 3.4091 5.3320 5.3320 6.2570 6.2570 6.6155 6.6155 6.6543 6.6543 7.0152 7.0152 7.1810 7.1810 8.8407 8.8407 9.7296 9.7296 9.7426 9.7426 k = 0.0000 0.0000 0.2499 ( 4645 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1538 -10.1538 -10.0750 -10.0750 -3.1337 -3.1337 -2.5683 -2.5683 -0.2547 -0.2547 -0.2414 -0.2414 -0.1691 -0.1691 -0.1647 -0.1647 0.0498 0.0498 0.0883 0.0883 0.1564 0.1564 0.2281 0.2281 0.2604 0.2604 0.2614 0.2614 3.4692 3.4692 5.2536 5.2536 6.2900 6.2900 6.6114 6.6114 6.6531 6.6531 6.9672 6.9672 7.1836 7.1836 8.8347 8.8347 9.7235 9.7235 9.7358 9.7358 k = 0.0000 0.0000 0.2638 ( 4640 PWs) bands (ev): -28.4418 -28.4418 -11.2566 -11.2566 -10.1538 -10.1538 -10.0750 -10.0750 -3.1235 -3.1235 -2.5811 -2.5811 -0.2548 -0.2548 -0.2413 -0.2413 -0.1688 -0.1688 -0.1661 -0.1661 0.0484 0.0484 0.0884 0.0884 0.1564 0.1564 0.2282 0.2282 0.2603 0.2603 0.2606 0.2606 3.5160 3.5160 5.1937 5.1937 6.3207 6.3207 6.5735 6.5735 6.6896 6.6896 6.9231 6.9231 7.1854 7.1854 8.8303 8.8303 9.7189 9.7189 9.7308 9.7308 k = 0.0000 0.0000 0.2777 ( 4628 PWs) bands (ev): -28.4418 -28.4418 -11.2567 -11.2567 -10.1538 -10.1538 -10.0750 -10.0750 -3.1171 -3.1171 -2.5891 -2.5891 -0.2548 -0.2548 -0.2413 -0.2413 -0.1684 -0.1684 -0.1671 -0.1671 0.0476 0.0476 0.0885 0.0885 0.1565 0.1565 0.2283 0.2283 0.2601 0.2601 0.2604 0.2604 3.5460 3.5460 5.1559 5.1559 6.3448 6.3448 6.5450 6.5450 6.7206 6.7206 6.8874 6.8874 7.1866 7.1866 8.8276 8.8276 9.7162 9.7162 9.7277 9.7277 k = 0.0000 0.0000 0.2916 ( 4640 PWs) bands (ev): -28.4418 -28.4418 -11.2567 -11.2567 -10.1538 -10.1538 -10.0750 -10.0750 -3.1149 -3.1149 -2.5919 -2.5919 -0.2548 -0.2548 -0.2413 -0.2413 -0.1679 -0.1679 -0.1678 -0.1678 0.0473 0.0473 0.0885 0.0885 0.1565 0.1565 0.2284 0.2284 0.2599 0.2599 0.2603 0.2603 3.5563 3.5563 5.1430 5.1430 6.3546 6.3546 6.5338 6.5338 6.7345 6.7345 6.8720 6.8720 7.1870 7.1870 8.8267 8.8267 9.7152 9.7152 9.7267 9.7267 k = 0.0000 0.0000 0.2916 ( 4640 PWs) bands (ev): -28.4418 -28.4418 -11.2567 -11.2567 -10.1538 -10.1538 -10.0750 -10.0750 -3.1149 -3.1149 -2.5919 -2.5919 -0.2548 -0.2548 -0.2413 -0.2413 -0.1679 -0.1679 -0.1678 -0.1678 0.0473 0.0473 0.0885 0.0885 0.1565 0.1565 0.2284 0.2284 0.2599 0.2599 0.2603 0.2603 3.5563 3.5563 5.1430 5.1430 6.3546 6.3546 6.5338 6.5338 6.7345 6.7345 6.8720 6.8720 7.1870 7.1870 8.8267 8.8267 9.7152 9.7152 9.7267 9.7267 k = 0.0122 0.0070 0.2916 ( 4632 PWs) bands (ev): -28.4418 -28.4418 -11.2567 -11.2567 -10.1538 -10.1538 -10.0751 -10.0751 -3.1140 -3.1140 -2.5909 -2.5909 -0.2547 -0.2547 -0.2412 -0.2412 -0.1701 -0.1701 -0.1656 -0.1656 0.0474 0.0474 0.0886 0.0886 0.1565 0.1565 0.2284 0.2284 0.2600 0.2600 0.2602 0.2602 3.5561 3.5561 5.1436 5.1436 6.3361 6.3361 6.5260 6.5260 6.7098 6.7098 6.8677 6.8677 7.2280 7.2280 8.8334 8.8334 9.7204 9.7204 9.7314 9.7314 k = 0.0244 0.0141 0.2916 ( 4636 PWs) bands (ev): -28.4417 -28.4417 -11.2568 -11.2568 -10.1538 -10.1538 -10.0755 -10.0755 -3.1114 -3.1114 -2.5881 -2.5881 -0.2545 -0.2545 -0.2411 -0.2411 -0.1722 -0.1722 -0.1633 -0.1633 0.0477 0.0477 0.0888 0.0888 0.1567 0.1567 0.2285 0.2285 0.2597 0.2597 0.2602 0.2602 3.5556 3.5556 5.1454 5.1454 6.2796 6.2796 6.5012 6.5012 6.6628 6.6628 6.8557 6.8557 7.3258 7.3258 8.8530 8.8530 9.7360 9.7360 9.7452 9.7452 k = 0.0366 0.0211 0.2916 ( 4632 PWs) bands (ev): -28.4417 -28.4417 -11.2570 -11.2570 -10.1538 -10.1538 -10.0761 -10.0761 -3.1070 -3.1070 -2.5835 -2.5835 -0.2540 -0.2540 -0.2408 -0.2408 -0.1743 -0.1743 -0.1609 -0.1609 0.0481 0.0481 0.0893 0.0893 0.1570 0.1570 0.2287 0.2287 0.2592 0.2592 0.2606 0.2606 3.5547 3.5547 5.1481 5.1481 6.1874 6.1874 6.4611 6.4611 6.6207 6.6207 6.8387 6.8387 7.4473 7.4473 8.8846 8.8846 9.7617 9.7617 9.7683 9.7683 k = 0.0488 0.0282 0.2916 ( 4632 PWs) bands (ev): -28.4416 -28.4416 -11.2573 -11.2573 -10.1539 -10.1539 -10.0770 -10.0770 -3.1009 -3.1009 -2.5771 -2.5771 -0.2534 -0.2534 -0.2404 -0.2404 -0.1762 -0.1762 -0.1585 -0.1585 0.0488 0.0488 0.0898 0.0898 0.1573 0.1573 0.2289 0.2289 0.2584 0.2584 0.2611 0.2611 3.5533 3.5533 5.1510 5.1510 6.0695 6.0695 6.4131 6.4131 6.5809 6.5809 6.8206 6.8206 7.5758 7.5758 8.9272 8.9272 9.7972 9.7972 9.8005 9.8005 k = 0.0610 0.0352 0.2916 ( 4636 PWs) bands (ev): -28.4416 -28.4416 -11.2577 -11.2577 -10.1540 -10.1540 -10.0781 -10.0781 -3.0931 -3.0931 -2.5688 -2.5688 -0.2527 -0.2527 -0.2399 -0.2399 -0.1781 -0.1781 -0.1561 -0.1561 0.0497 0.0497 0.0905 0.0905 0.1577 0.1577 0.2291 0.2291 0.2574 0.2574 0.2617 0.2617 3.5514 3.5514 5.1529 5.1529 5.9382 5.9382 6.3607 6.3607 6.5354 6.5354 6.8043 6.8043 7.7030 7.7030 8.9795 8.9795 9.8398 9.8398 9.8436 9.8436 k = 0.0732 0.0422 0.2916 ( 4644 PWs) bands (ev): -28.4415 -28.4415 -11.2581 -11.2581 -10.1541 -10.1541 -10.0794 -10.0794 -3.0836 -3.0836 -2.5589 -2.5589 -0.2517 -0.2517 -0.2392 -0.2392 -0.1799 -0.1799 -0.1536 -0.1536 0.0507 0.0507 0.0914 0.0914 0.1582 0.1582 0.2295 0.2295 0.2562 0.2562 0.2624 0.2624 3.5489 3.5489 5.1514 5.1514 5.8035 5.8035 6.3041 6.3041 6.4813 6.4813 6.7907 6.7907 7.8236 7.8236 9.0408 9.0408 9.8882 9.8882 9.8972 9.8972 k = 0.0854 0.0493 0.2916 ( 4646 PWs) bands (ev): -28.4414 -28.4414 -11.2587 -11.2587 -10.1542 -10.1542 -10.0809 -10.0809 -3.0724 -3.0724 -2.5472 -2.5472 -0.2506 -0.2506 -0.2385 -0.2385 -0.1816 -0.1816 -0.1511 -0.1511 0.0519 0.0519 0.0924 0.0924 0.1589 0.1589 0.2300 0.2300 0.2548 0.2548 0.2634 0.2634 3.5456 3.5456 5.1418 5.1418 5.6742 5.6742 6.2427 6.2427 6.4200 6.4200 6.7791 6.7791 7.9340 7.9340 9.1099 9.1099 9.9431 9.9431 9.9582 9.9582 k = 0.0976 0.0563 0.2916 ( 4650 PWs) bands (ev): -28.4413 -28.4413 -11.2593 -11.2593 -10.1543 -10.1543 -10.0825 -10.0825 -3.0595 -3.0595 -2.5338 -2.5338 -0.2494 -0.2494 -0.2376 -0.2376 -0.1831 -0.1831 -0.1486 -0.1486 0.0533 0.0533 0.0936 0.0936 0.1595 0.1595 0.2305 0.2305 0.2533 0.2533 0.2645 0.2645 3.5414 3.5414 5.1150 5.1150 5.5618 5.5618 6.1762 6.1762 6.3543 6.3543 6.7683 6.7683 8.0314 8.0314 9.1855 9.1855 10.0026 10.0026 10.0238 10.0238 k = 0.1098 0.0634 0.2916 ( 4650 PWs) bands (ev): -28.4411 -28.4411 -11.2599 -11.2599 -10.1545 -10.1545 -10.0844 -10.0844 -3.0450 -3.0450 -2.5189 -2.5189 -0.2480 -0.2480 -0.2366 -0.2366 -0.1846 -0.1846 -0.1460 -0.1460 0.0548 0.0548 0.0950 0.0950 0.1603 0.1603 0.2311 0.2311 0.2516 0.2516 0.2659 0.2659 3.5361 3.5361 5.0581 5.0581 5.4806 5.4806 6.1046 6.1046 6.2866 6.2866 6.7574 6.7574 8.1142 8.1142 9.2643 9.2643 10.0572 10.0572 10.0889 10.0889 k = 0.1220 0.0704 0.2916 ( 4652 PWs) bands (ev): -28.4410 -28.4410 -11.2607 -11.2607 -10.1547 -10.1547 -10.0864 -10.0864 -3.0290 -3.0290 -2.5025 -2.5025 -0.2464 -0.2464 -0.2354 -0.2354 -0.1859 -0.1859 -0.1435 -0.1435 0.0565 0.0565 0.0965 0.0965 0.1611 0.1611 0.2318 0.2318 0.2498 0.2498 0.2674 0.2674 3.5294 3.5294 4.9655 4.9655 5.4368 5.4368 6.0285 6.0285 6.2189 6.2189 6.7460 6.7460 8.1818 8.1818 9.3397 9.3397 10.0503 10.0503 10.1531 10.1531 k = 0.1341 0.0774 0.2916 ( 4652 PWs) bands (ev): -28.4408 -28.4408 -11.2615 -11.2615 -10.1549 -10.1549 -10.0886 -10.0886 -3.0114 -3.0114 -2.4846 -2.4846 -0.2447 -0.2447 -0.2341 -0.2341 -0.1871 -0.1871 -0.1409 -0.1409 0.0584 0.0584 0.0982 0.0982 0.1618 0.1618 0.2325 0.2325 0.2479 0.2479 0.2693 0.2693 3.5211 3.5211 4.8463 4.8463 5.4217 5.4217 5.9491 5.9491 6.1521 6.1521 6.7335 6.7335 8.2348 8.2348 9.3998 9.3998 10.0032 10.0032 10.2222 10.2222 k = 0.1463 0.0845 0.2916 ( 4658 PWs) bands (ev): -28.4407 -28.4407 -11.2624 -11.2624 -10.1552 -10.1552 -10.0908 -10.0908 -2.9923 -2.9923 -2.4654 -2.4654 -0.2429 -0.2429 -0.2325 -0.2325 -0.1882 -0.1882 -0.1383 -0.1383 0.0604 0.0604 0.1000 0.1000 0.1626 0.1626 0.2331 0.2331 0.2462 0.2462 0.2715 0.2715 3.5109 3.5109 4.7127 4.7127 5.4228 5.4228 5.8683 5.8683 6.0867 6.0867 6.7200 6.7200 8.2748 8.2748 9.4287 9.4287 9.9773 9.9773 10.2879 10.2879 k = 0.1585 0.0915 0.2916 ( 4650 PWs) bands (ev): -28.4405 -28.4405 -11.2633 -11.2633 -10.1556 -10.1556 -10.0932 -10.0932 -2.9718 -2.9718 -2.4449 -2.4449 -0.2410 -0.2410 -0.2308 -0.2308 -0.1892 -0.1892 -0.1357 -0.1357 0.0626 0.0626 0.1020 0.1020 0.1634 0.1634 0.2334 0.2334 0.2447 0.2447 0.2741 0.2741 3.4984 3.4984 4.5725 4.5725 5.4315 5.4315 5.7885 5.7885 6.0228 6.0228 6.7053 6.7053 8.3035 8.3035 9.4172 9.4172 9.9816 9.9816 10.3428 10.3428 k = 0.1707 0.0986 0.2916 ( 4650 PWs) bands (ev): -28.4403 -28.4403 -11.2643 -11.2643 -10.1560 -10.1560 -10.0955 -10.0955 -2.9499 -2.9499 -2.4233 -2.4233 -0.2391 -0.2391 -0.2288 -0.2288 -0.1900 -0.1900 -0.1330 -0.1330 0.0649 0.0649 0.1040 0.1040 0.1642 0.1642 0.2331 0.2331 0.2439 0.2439 0.2771 0.2771 3.4832 3.4832 4.4299 4.4299 5.4411 5.4411 5.7138 5.7138 5.9606 5.9606 6.6896 6.6896 8.3227 8.3227 9.3728 9.3728 10.0012 10.0012 10.3776 10.3776 k = 0.1829 0.1056 0.2916 ( 4652 PWs) bands (ev): -28.4401 -28.4401 -11.2653 -11.2653 -10.1565 -10.1565 -10.0980 -10.0980 -2.9267 -2.9267 -2.4007 -2.4007 -0.2371 -0.2371 -0.2265 -0.2265 -0.1907 -0.1907 -0.1303 -0.1303 0.0673 0.0673 0.1062 0.1062 0.1649 0.1649 0.2321 0.2321 0.2437 0.2437 0.2807 0.2807 3.4650 3.4650 4.2871 4.2871 5.4428 5.4428 5.6518 5.6518 5.9003 5.9003 6.6730 6.6730 8.3343 8.3343 9.3097 9.3097 10.0157 10.0157 10.3602 10.3602 k = 0.1951 0.1127 0.2916 ( 4654 PWs) bands (ev): -28.4400 -28.4400 -11.2664 -11.2664 -10.1571 -10.1571 -10.1004 -10.1004 -2.9022 -2.9022 -2.3771 -2.3771 -0.2351 -0.2351 -0.2239 -0.2239 -0.1913 -0.1913 -0.1276 -0.1276 0.0699 0.0699 0.1086 0.1086 0.1655 0.1655 0.2303 0.2303 0.2443 0.2443 0.2848 0.2848 3.4431 3.4431 4.1456 4.1456 5.4232 5.4232 5.6152 5.6152 5.8424 5.8424 6.6556 6.6556 8.3398 8.3398 9.2385 9.2385 10.0146 10.0146 10.2935 10.2935 k = 0.2073 0.1197 0.2916 ( 4650 PWs) bands (ev): -28.4398 -28.4398 -11.2675 -11.2675 -10.1578 -10.1578 -10.1027 -10.1027 -2.8767 -2.8767 -2.3528 -2.3528 -0.2332 -0.2332 -0.2211 -0.2211 -0.1917 -0.1917 -0.1249 -0.1249 0.0727 0.0727 0.1110 0.1110 0.1660 0.1660 0.2281 0.2281 0.2452 0.2452 0.2897 0.2897 3.4172 3.4172 4.0063 4.0063 5.3776 5.3776 5.6075 5.6075 5.7885 5.7885 6.6375 6.6375 8.3404 8.3404 9.1650 9.1650 9.9951 9.9951 10.2110 10.2110 k = 0.2195 0.1267 0.2916 ( 4646 PWs) bands (ev): -28.4395 -28.4395 -11.2686 -11.2686 -10.1586 -10.1586 -10.1051 -10.1051 -2.8500 -2.8500 -2.3279 -2.3279 -0.2313 -0.2313 -0.2178 -0.2178 -0.1920 -0.1920 -0.1221 -0.1221 0.0756 0.0756 0.1135 0.1135 0.1664 0.1664 0.2257 0.2257 0.2464 0.2464 0.2952 0.2952 3.3864 3.3864 3.8702 3.8702 5.3182 5.3182 5.6123 5.6123 5.7430 5.7430 6.6191 6.6191 8.3372 8.3372 9.0924 9.0924 9.9556 9.9556 10.1305 10.1305 k = 0.2317 0.1338 0.2916 ( 4644 PWs) bands (ev): -28.4393 -28.4393 -11.2698 -11.2698 -10.1595 -10.1595 -10.1073 -10.1073 -2.8225 -2.8225 -2.3025 -2.3025 -0.2294 -0.2294 -0.2143 -0.2143 -0.1921 -0.1921 -0.1192 -0.1192 0.0786 0.0786 0.1162 0.1162 0.1668 0.1668 0.2232 0.2232 0.2477 0.2477 0.3014 0.3014 3.3500 3.3500 3.7384 3.7384 5.2556 5.2556 5.6067 5.6067 5.7185 5.7185 6.6003 6.6003 8.3312 8.3312 9.0225 9.0225 9.8936 9.8936 10.0624 10.0624 k = 0.2439 0.1408 0.2916 ( 4646 PWs) bands (ev): -28.4391 -28.4391 -11.2710 -11.2710 -10.1605 -10.1605 -10.1094 -10.1094 -2.7941 -2.7941 -2.2767 -2.2767 -0.2275 -0.2275 -0.2106 -0.2106 -0.1921 -0.1921 -0.1162 -0.1162 0.0816 0.0816 0.1189 0.1189 0.1670 0.1670 0.2206 0.2206 0.2491 0.2491 0.3084 0.3084 3.3068 3.3068 3.6121 3.6121 5.1946 5.1946 5.5768 5.5768 5.7243 5.7243 6.5816 6.5816 8.3231 8.3231 8.9563 8.9563 9.8123 9.8123 10.0079 10.0079 k = 0.2561 0.1479 0.2916 ( 4646 PWs) bands (ev): -28.4389 -28.4389 -11.2722 -11.2722 -10.1617 -10.1617 -10.1114 -10.1114 -2.7650 -2.7650 -2.2508 -2.2508 -0.2257 -0.2257 -0.2067 -0.2067 -0.1919 -0.1919 -0.1131 -0.1131 0.0848 0.0848 0.1217 0.1217 0.1671 0.1671 0.2180 0.2180 0.2504 0.2504 0.3162 0.3162 3.2549 3.2549 3.4936 3.4936 5.1372 5.1372 5.5340 5.5340 5.7472 5.7472 6.5631 6.5631 8.3135 8.3135 8.8945 8.8945 9.7203 9.7203 9.9612 9.9612 k = 0.2683 0.1549 0.2916 ( 4646 PWs) bands (ev): -28.4387 -28.4387 -11.2734 -11.2734 -10.1630 -10.1630 -10.1132 -10.1132 -2.7353 -2.7353 -2.2249 -2.2249 -0.2239 -0.2239 -0.2027 -0.2027 -0.1913 -0.1913 -0.1099 -0.1099 0.0880 0.0880 0.1247 0.1247 0.1672 0.1672 0.2155 0.2155 0.2519 0.2519 0.3246 0.3246 3.1912 3.1912 3.3861 3.3861 5.0844 5.0844 5.4880 5.4880 5.7761 5.7761 6.5450 6.5450 8.3030 8.3030 8.8375 8.8375 9.6242 9.6242 9.9178 9.9178 k = 0.2805 0.1619 0.2916 ( 4640 PWs) bands (ev): -28.4385 -28.4385 -11.2746 -11.2746 -10.1644 -10.1644 -10.1148 -10.1148 -2.7052 -2.7052 -2.1992 -2.1992 -0.2220 -0.2220 -0.1991 -0.1991 -0.1902 -0.1902 -0.1065 -0.1065 0.0913 0.0913 0.1277 0.1277 0.1671 0.1671 0.2131 0.2131 0.2533 0.2533 0.3336 0.3336 3.1134 3.1134 3.2927 3.2927 5.0366 5.0366 5.4423 5.4423 5.8074 5.8074 6.5276 6.5276 8.2920 8.2920 8.7854 8.7854 9.5275 9.5275 9.8755 9.8755 k = 0.2927 0.1690 0.2916 ( 4640 PWs) bands (ev): -28.4383 -28.4383 -11.2758 -11.2758 -10.1659 -10.1659 -10.1163 -10.1163 -2.6749 -2.6749 -2.1738 -2.1738 -0.2203 -0.2203 -0.1964 -0.1964 -0.1878 -0.1878 -0.1029 -0.1029 0.0945 0.0945 0.1309 0.1309 0.1670 0.1670 0.2110 0.2110 0.2549 0.2549 0.3432 0.3432 3.0230 3.0230 3.2123 3.2123 4.9939 4.9939 5.3979 5.3979 5.8393 5.8393 6.5112 6.5112 8.2809 8.2809 8.7383 8.7383 9.4323 9.4323 9.8336 9.8336 k = 0.3049 0.1760 0.2916 ( 4642 PWs) bands (ev): -28.4381 -28.4381 -11.2770 -11.2770 -10.1675 -10.1675 -10.1176 -10.1176 -2.6445 -2.6445 -2.1488 -2.1488 -0.2185 -0.2185 -0.1949 -0.1949 -0.1842 -0.1842 -0.0992 -0.0992 0.0977 0.0977 0.1341 0.1341 0.1668 0.1668 0.2091 0.2091 0.2565 0.2565 0.3532 0.3532 2.9261 2.9261 3.1396 3.1396 4.9563 4.9563 5.3554 5.3554 5.8708 5.8708 6.4959 6.4959 8.2698 8.2698 8.6962 8.6962 9.3400 9.3400 9.7918 9.7918 k = 0.3171 0.1831 0.2916 ( 4644 PWs) bands (ev): -28.4379 -28.4379 -11.2781 -11.2781 -10.1691 -10.1691 -10.1188 -10.1188 -2.6142 -2.6142 -2.1246 -2.1246 -0.2167 -0.2167 -0.1940 -0.1940 -0.1798 -0.1798 -0.0952 -0.0952 0.1007 0.1007 0.1374 0.1374 0.1666 0.1666 0.2075 0.2075 0.2583 0.2583 0.3635 0.3635 2.8279 2.8279 3.0704 3.0704 4.9235 4.9235 5.3151 5.3151 5.9013 5.9013 6.4821 6.4821 8.2589 8.2589 8.6590 8.6590 9.2515 9.2515 9.7501 9.7501 k = 0.3293 0.1901 0.2916 ( 4640 PWs) bands (ev): -28.4377 -28.4377 -11.2792 -11.2792 -10.1709 -10.1709 -10.1198 -10.1198 -2.5842 -2.5842 -2.1012 -2.1012 -0.2149 -0.2149 -0.1934 -0.1934 -0.1751 -0.1751 -0.0910 -0.0910 0.1037 0.1037 0.1407 0.1407 0.1664 0.1664 0.2064 0.2064 0.2603 0.2603 0.3738 0.3738 2.7319 2.7319 3.0021 3.0021 4.8950 4.8950 5.2772 5.2772 5.9302 5.9302 6.4701 6.4701 8.2483 8.2483 8.6261 8.6261 9.1681 9.1681 9.7083 9.7083 k = 0.3415 0.1971 0.2916 ( 4654 PWs) bands (ev): -28.4375 -28.4375 -11.2803 -11.2803 -10.1726 -10.1726 -10.1206 -10.1206 -2.5547 -2.5547 -2.0788 -2.0788 -0.2133 -0.2133 -0.1930 -0.1930 -0.1703 -0.1703 -0.0865 -0.0865 0.1064 0.1064 0.1437 0.1437 0.1663 0.1663 0.2059 0.2059 0.2625 0.2625 0.3841 0.3841 2.6398 2.6398 2.9339 2.9339 4.8705 4.8705 5.2420 5.2420 5.9572 5.9572 6.4600 6.4600 8.2379 8.2379 8.5971 8.5971 9.0910 9.0910 9.6665 9.6665 k = 0.3537 0.2042 0.2916 ( 4658 PWs) bands (ev): -28.4374 -28.4374 -11.2813 -11.2813 -10.1743 -10.1743 -10.1214 -10.1214 -2.5260 -2.5260 -2.0575 -2.0575 -0.2116 -0.2116 -0.1927 -0.1927 -0.1655 -0.1655 -0.0818 -0.0818 0.1089 0.1089 0.1463 0.1463 0.1664 0.1664 0.2061 0.2061 0.2652 0.2652 0.3939 0.3939 2.5531 2.5531 2.8659 2.8659 4.8495 4.8495 5.2094 5.2094 5.9816 5.9816 6.4522 6.4522 8.2277 8.2277 8.5711 8.5711 9.0215 9.0215 9.6247 9.6247 k = 0.3659 0.2112 0.2916 ( 4652 PWs) bands (ev): -28.4372 -28.4372 -11.2823 -11.2823 -10.1760 -10.1760 -10.1220 -10.1220 -2.4982 -2.4982 -2.0375 -2.0375 -0.2100 -0.2100 -0.1924 -0.1924 -0.1609 -0.1609 -0.0769 -0.0769 0.1113 0.1113 0.1482 0.1482 0.1668 0.1668 0.2071 0.2071 0.2685 0.2685 0.4031 0.4031 2.4724 2.4724 2.7983 2.7983 4.8315 4.8315 5.1797 5.1797 6.0033 6.0033 6.4467 6.4467 8.2176 8.2176 8.5467 8.5467 8.9614 8.9614 9.5829 9.5829 k = 0.3780 0.2183 0.2916 ( 4656 PWs) bands (ev): -28.4371 -28.4371 -11.2832 -11.2832 -10.1776 -10.1776 -10.1225 -10.1225 -2.4717 -2.4717 -2.0189 -2.0189 -0.2084 -0.2084 -0.1922 -0.1922 -0.1565 -0.1565 -0.0718 -0.0718 0.1134 0.1134 0.1492 0.1492 0.1675 0.1675 0.2089 0.2089 0.2724 0.2724 0.4113 0.4113 2.3986 2.3986 2.7315 2.7315 4.8162 4.8162 5.1528 5.1528 6.0220 6.0220 6.4437 6.4437 8.2076 8.2076 8.5224 8.5224 8.9124 8.9124 9.5412 9.5412 k = 0.3902 0.2253 0.2916 ( 4652 PWs) bands (ev): -28.4369 -28.4369 -11.2841 -11.2841 -10.1792 -10.1792 -10.1229 -10.1229 -2.4467 -2.4467 -2.0019 -2.0019 -0.2069 -0.2069 -0.1920 -0.1920 -0.1525 -0.1525 -0.0667 -0.0667 0.1153 0.1153 0.1494 0.1494 0.1684 0.1684 0.2115 0.2115 0.2774 0.2774 0.4181 0.4181 2.3322 2.3322 2.6664 2.6664 4.8030 4.8030 5.1287 5.1287 6.0376 6.0376 6.4431 6.4431 8.1976 8.1976 8.4969 8.4969 8.8760 8.8760 9.4997 9.4997 k = 0.4024 0.2323 0.2916 ( 4652 PWs) bands (ev): -28.4368 -28.4368 -11.2848 -11.2848 -10.1806 -10.1806 -10.1232 -10.1232 -2.4234 -2.4234 -1.9864 -1.9864 -0.2054 -0.2054 -0.1920 -0.1920 -0.1488 -0.1488 -0.0615 -0.0615 0.1171 0.1171 0.1489 0.1489 0.1694 0.1694 0.2146 0.2146 0.2834 0.2834 0.4233 0.4233 2.2737 2.2737 2.6034 2.6034 4.7918 4.7918 5.1076 5.1076 6.0503 6.0503 6.4447 6.4447 8.1876 8.1876 8.4696 8.4696 8.8529 8.8529 9.4584 9.4584 k = 0.4146 0.2394 0.2916 ( 4662 PWs) bands (ev): -28.4367 -28.4367 -11.2855 -11.2855 -10.1819 -10.1819 -10.1235 -10.1235 -2.4021 -2.4021 -1.9727 -1.9727 -0.2041 -0.2041 -0.1920 -0.1920 -0.1455 -0.1455 -0.0566 -0.0566 0.1187 0.1187 0.1479 0.1479 0.1702 0.1702 0.2179 0.2179 0.2909 0.2909 0.4266 0.4266 2.2234 2.2234 2.5436 2.5436 4.7823 4.7823 5.0892 5.0892 6.0601 6.0601 6.4479 6.4479 8.1778 8.1778 8.4410 8.4410 8.8421 8.8421 9.4177 9.4177 k = 0.4268 0.2464 0.2916 ( 4662 PWs) bands (ev): -28.4366 -28.4366 -11.2862 -11.2862 -10.1831 -10.1831 -10.1237 -10.1237 -2.3830 -2.3830 -1.9607 -1.9607 -0.2028 -0.2028 -0.1922 -0.1922 -0.1427 -0.1427 -0.0519 -0.0519 0.1201 0.1201 0.1467 0.1467 0.1708 0.1708 0.2211 0.2211 0.2998 0.2998 0.4276 0.4276 2.1817 2.1817 2.4877 2.4877 4.7742 4.7742 5.0736 5.0736 6.0675 6.0675 6.4525 6.4525 8.1682 8.1682 8.4124 8.4124 8.8419 8.8419 9.3780 9.3780 k = 0.4390 0.2535 0.2916 ( 4662 PWs) bands (ev): -28.4365 -28.4365 -11.2867 -11.2867 -10.1841 -10.1841 -10.1239 -10.1239 -2.3664 -2.3664 -1.9505 -1.9505 -0.2016 -0.2016 -0.1923 -0.1923 -0.1402 -0.1402 -0.0476 -0.0476 0.1215 0.1215 0.1453 0.1453 0.1713 0.1713 0.2239 0.2239 0.3101 0.3101 0.4264 0.4264 2.1483 2.1483 2.4367 2.4367 4.7675 4.7675 5.0607 5.0607 6.0729 6.0729 6.4576 6.4576 8.1592 8.1592 8.3857 8.3857 8.8498 8.8498 9.3397 9.3397 k = 0.4512 0.2605 0.2916 ( 4658 PWs) bands (ev): -28.4364 -28.4364 -11.2871 -11.2871 -10.1849 -10.1849 -10.1240 -10.1240 -2.3525 -2.3525 -1.9422 -1.9422 -0.2005 -0.2005 -0.1926 -0.1926 -0.1382 -0.1382 -0.0439 -0.0439 0.1227 0.1227 0.1438 0.1438 0.1717 0.1717 0.2262 0.2262 0.3214 0.3214 0.4229 0.4229 2.1231 2.1231 2.3918 2.3918 4.7620 4.7620 5.0503 5.0503 6.0767 6.0767 6.4629 6.4629 8.1508 8.1508 8.3623 8.3623 8.8630 8.8630 9.3039 9.3039 k = 0.4634 0.2676 0.2916 ( 4658 PWs) bands (ev): -28.4364 -28.4364 -11.2875 -11.2875 -10.1856 -10.1856 -10.1241 -10.1241 -2.3415 -2.3415 -1.9356 -1.9356 -0.1995 -0.1995 -0.1929 -0.1929 -0.1366 -0.1366 -0.0409 -0.0409 0.1238 0.1238 0.1425 0.1425 0.1720 0.1720 0.2280 0.2280 0.3333 0.3333 0.4174 0.4174 2.1054 2.1054 2.3543 2.3543 4.7577 4.7577 5.0424 5.0424 6.0792 6.0792 6.4676 6.4676 8.1436 8.1436 8.3435 8.3435 8.8787 8.8787 9.2720 9.2720 k = 0.4756 0.2746 0.2916 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2877 -11.2877 -10.1861 -10.1861 -10.1242 -10.1242 -2.3335 -2.3335 -1.9310 -1.9310 -0.1988 -0.1988 -0.1932 -0.1932 -0.1355 -0.1355 -0.0387 -0.0387 0.1247 0.1247 0.1414 0.1414 0.1722 0.1722 0.2293 0.2293 0.3449 0.3449 0.4106 0.4106 2.0941 2.0941 2.3257 2.3257 4.7547 4.7547 5.0368 5.0368 6.0808 6.0808 6.4713 6.4713 8.1380 8.1380 8.3297 8.3297 8.8939 8.8939 9.2460 9.2460 k = 0.4878 0.2816 0.2916 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1864 -10.1864 -10.1242 -10.1242 -2.3286 -2.3286 -1.9282 -1.9282 -0.1983 -0.1983 -0.1934 -0.1934 -0.1349 -0.1349 -0.0373 -0.0373 0.1253 0.1253 0.1406 0.1406 0.1723 0.1723 0.2300 0.2300 0.3543 0.3543 0.4040 0.4040 2.0881 2.0881 2.3077 2.3077 4.7529 4.7529 5.0335 5.0335 6.0816 6.0816 6.4737 6.4737 8.1344 8.1344 8.3214 8.3214 8.9051 8.9051 9.2285 9.2285 k = 0.5000 0.2887 0.2916 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3270 -2.3270 -1.9273 -1.9273 -0.1981 -0.1981 -0.1935 -0.1935 -0.1346 -0.1346 -0.0369 -0.0369 0.1255 0.1255 0.1404 0.1404 0.1723 0.1723 0.2303 0.2303 0.3583 0.3583 0.4010 0.4010 2.0862 2.0862 2.3015 2.3015 4.7523 4.7523 5.0324 5.0324 6.0819 6.0819 6.4745 6.4745 8.1331 8.1331 8.3186 8.3186 8.9093 8.9093 9.2223 9.2223 k = 0.5000 0.2887 0.2916 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3270 -2.3270 -1.9273 -1.9273 -0.1981 -0.1981 -0.1935 -0.1935 -0.1346 -0.1346 -0.0369 -0.0369 0.1255 0.1255 0.1404 0.1404 0.1723 0.1723 0.2303 0.2303 0.3583 0.3583 0.4010 0.4010 2.0862 2.0862 2.3015 2.3015 4.7523 4.7523 5.0324 5.0324 6.0819 6.0819 6.4745 6.4745 8.1331 8.1331 8.3186 8.3186 8.9093 8.9093 9.2223 9.2223 k = 0.4931 0.3007 0.2916 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1864 -10.1864 -10.1244 -10.1244 -2.3263 -2.3263 -1.9273 -1.9273 -0.1981 -0.1981 -0.1934 -0.1934 -0.1347 -0.1347 -0.0367 -0.0367 0.1256 0.1256 0.1404 0.1404 0.1723 0.1723 0.2302 0.2302 0.3581 0.3581 0.4015 0.4015 2.0868 2.0868 2.3021 2.3021 4.7513 4.7513 5.0275 5.0275 6.0762 6.0762 6.4674 6.4674 8.1373 8.1373 8.3275 8.3275 8.9212 8.9212 9.2224 9.2224 k = 0.4861 0.3127 0.2916 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2880 -11.2880 -10.1863 -10.1863 -10.1246 -10.1246 -2.3242 -2.3242 -1.9275 -1.9275 -0.1981 -0.1981 -0.1932 -0.1932 -0.1351 -0.1351 -0.0363 -0.0363 0.1257 0.1257 0.1406 0.1406 0.1723 0.1723 0.2300 0.2300 0.3576 0.3576 0.4031 0.4031 2.0885 2.0885 2.3039 2.3039 4.7479 4.7479 5.0136 5.0136 6.0589 6.0589 6.4472 6.4472 8.1493 8.1493 8.3538 8.3538 8.9565 8.9565 9.2227 9.2227 k = 0.4792 0.3248 0.2916 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2880 -11.2880 -10.1860 -10.1860 -10.1251 -10.1251 -2.3207 -2.3207 -1.9279 -1.9279 -0.1981 -0.1981 -0.1928 -0.1928 -0.1356 -0.1356 -0.0357 -0.0357 0.1260 0.1260 0.1408 0.1408 0.1723 0.1723 0.2296 0.2296 0.3568 0.3568 0.4055 0.4055 2.0913 2.0913 2.3069 2.3069 4.7408 4.7408 4.9929 4.9929 6.0294 6.0294 6.4169 6.4169 8.1676 8.1676 8.3960 8.3960 9.0143 9.0143 9.2241 9.2241 k = 0.4722 0.3368 0.2916 ( 4664 PWs) bands (ev): -28.4363 -28.4363 -11.2881 -11.2881 -10.1857 -10.1857 -10.1258 -10.1258 -2.3158 -2.3158 -1.9285 -1.9285 -0.1981 -0.1981 -0.1923 -0.1923 -0.1363 -0.1363 -0.0348 -0.0348 0.1263 0.1263 0.1411 0.1411 0.1723 0.1723 0.2291 0.2291 0.3559 0.3559 0.4088 0.4088 2.0952 2.0952 2.3110 2.3110 4.7274 4.7274 4.9690 4.9690 5.9873 5.9873 6.3804 6.3804 8.1907 8.1907 8.4519 8.4519 9.0929 9.0929 9.2279 9.2279 k = 0.4653 0.3488 0.2916 ( 4668 PWs) bands (ev): -28.4362 -28.4362 -11.2882 -11.2882 -10.1852 -10.1852 -10.1267 -10.1267 -2.3096 -2.3096 -1.9292 -1.9292 -0.1981 -0.1981 -0.1917 -0.1917 -0.1372 -0.1372 -0.0336 -0.0336 0.1268 0.1268 0.1415 0.1415 0.1723 0.1723 0.2285 0.2285 0.3549 0.3549 0.4127 0.4127 2.1002 2.1002 2.3161 2.3161 4.7044 4.7044 4.9466 4.9466 5.9327 5.9327 6.3411 6.3411 8.2171 8.2171 8.5181 8.5181 9.1893 9.1893 9.2367 9.2367 k = 0.4583 0.3608 0.2916 ( 4662 PWs) bands (ev): -28.4362 -28.4362 -11.2883 -11.2883 -10.1847 -10.1847 -10.1277 -10.1277 -2.3021 -2.3021 -1.9301 -1.9301 -0.1981 -0.1981 -0.1909 -0.1909 -0.1382 -0.1382 -0.0322 -0.0322 0.1274 0.1274 0.1420 0.1420 0.1723 0.1723 0.2276 0.2276 0.3540 0.3540 0.4171 0.4171 2.1061 2.1061 2.3221 2.3221 4.6692 4.6692 4.9299 4.9299 5.8672 5.8672 6.3014 6.3014 8.2458 8.2458 8.5902 8.5902 9.2495 9.2495 9.3053 9.3053 k = 0.4514 0.3729 0.2916 ( 4662 PWs) bands (ev): -28.4362 -28.4362 -11.2884 -11.2884 -10.1840 -10.1840 -10.1289 -10.1289 -2.2933 -2.2933 -1.9312 -1.9312 -0.1980 -0.1980 -0.1901 -0.1901 -0.1393 -0.1393 -0.0306 -0.0306 0.1282 0.1282 0.1426 0.1426 0.1723 0.1723 0.2267 0.2267 0.3532 0.3532 0.4220 0.4220 2.1130 2.1130 2.3289 2.3289 4.6216 4.6216 4.9201 4.9201 5.7932 5.7932 6.2622 6.2622 8.2765 8.2765 8.6623 8.6623 9.2776 9.2776 9.4313 9.4313 k = 0.4444 0.3849 0.2916 ( 4662 PWs) bands (ev): -28.4361 -28.4361 -11.2885 -11.2885 -10.1833 -10.1833 -10.1302 -10.1302 -2.2833 -2.2833 -1.9327 -1.9327 -0.1980 -0.1980 -0.1891 -0.1891 -0.1405 -0.1405 -0.0289 -0.0289 0.1290 0.1290 0.1432 0.1432 0.1723 0.1723 0.2255 0.2255 0.3526 0.3526 0.4272 0.4272 2.1207 2.1207 2.3364 2.3364 4.5642 4.5642 4.9161 4.9161 5.7141 5.7141 6.2236 6.2236 8.3087 8.3087 8.7275 8.7275 9.3225 9.3225 9.5687 9.5687 k = 0.4375 0.3969 0.2916 ( 4662 PWs) bands (ev): -28.4361 -28.4361 -11.2887 -11.2887 -10.1825 -10.1825 -10.1317 -10.1317 -2.2722 -2.2722 -1.9345 -1.9345 -0.1979 -0.1979 -0.1881 -0.1881 -0.1418 -0.1418 -0.0269 -0.0269 0.1301 0.1301 0.1439 0.1439 0.1722 0.1722 0.2242 0.2242 0.3522 0.3522 0.4326 0.4326 2.1291 2.1291 2.3443 2.3443 4.4999 4.4999 4.9153 4.9153 5.6334 5.6334 6.1853 6.1853 8.3425 8.3425 8.7797 8.7797 9.3895 9.3895 9.7145 9.7145 k = 0.4306 0.4090 0.2916 ( 4666 PWs) bands (ev): -28.4361 -28.4361 -11.2888 -11.2888 -10.1816 -10.1816 -10.1333 -10.1333 -2.2600 -2.2600 -1.9366 -1.9366 -0.1978 -0.1978 -0.1870 -0.1870 -0.1432 -0.1432 -0.0249 -0.0249 0.1312 0.1312 0.1447 0.1447 0.1722 0.1722 0.2227 0.2227 0.3520 0.3520 0.4381 0.4381 2.1383 2.1383 2.3525 2.3525 4.4317 4.4317 4.9149 4.9149 5.5548 5.5548 6.1468 6.1468 8.3778 8.3778 8.8163 8.8163 9.4801 9.4801 9.8665 9.8665 k = 0.4236 0.4210 0.2916 ( 4666 PWs) bands (ev): -28.4360 -28.4360 -11.2890 -11.2890 -10.1806 -10.1806 -10.1350 -10.1350 -2.2468 -2.2468 -1.9391 -1.9391 -0.1978 -0.1978 -0.1858 -0.1858 -0.1446 -0.1446 -0.0228 -0.0228 0.1323 0.1323 0.1456 0.1456 0.1721 0.1721 0.2211 0.2211 0.3521 0.3521 0.4437 0.4437 2.1479 2.1479 2.3607 2.3607 4.3617 4.3617 4.9119 4.9119 5.4824 5.4824 6.1078 6.1078 8.4144 8.4144 8.8387 8.8387 9.5916 9.5916 10.0225 10.0225 k = 0.4167 0.4330 0.2916 ( 4666 PWs) bands (ev): -28.4360 -28.4360 -11.2892 -11.2892 -10.1796 -10.1796 -10.1368 -10.1368 -2.2327 -2.2327 -1.9422 -1.9422 -0.1977 -0.1977 -0.1845 -0.1845 -0.1459 -0.1459 -0.0205 -0.0205 0.1335 0.1335 0.1467 0.1467 0.1720 0.1720 0.2194 0.2194 0.3524 0.3524 0.4492 0.4492 2.1580 2.1580 2.3687 2.3687 4.2917 4.2917 4.9032 4.9032 5.4204 5.4204 6.0683 6.0683 8.4521 8.4521 8.8502 8.8502 9.7194 9.7194 10.1805 10.1805 k = 0.4097 0.4450 0.2916 ( 4666 PWs) bands (ev): -28.4359 -28.4359 -11.2894 -11.2894 -10.1785 -10.1785 -10.1386 -10.1386 -2.2179 -2.2179 -1.9457 -1.9457 -0.1976 -0.1976 -0.1832 -0.1832 -0.1473 -0.1473 -0.0182 -0.0182 0.1346 0.1346 0.1480 0.1480 0.1720 0.1720 0.2175 0.2175 0.3530 0.3530 0.4546 0.4546 2.1684 2.1684 2.3761 2.3761 4.2233 4.2233 4.8856 4.8856 5.3729 5.3729 6.0281 6.0281 8.4906 8.4906 8.8543 8.8543 9.8590 9.8590 10.3380 10.3380 k = 0.4028 0.4571 0.2916 ( 4668 PWs) bands (ev): -28.4359 -28.4359 -11.2896 -11.2896 -10.1773 -10.1773 -10.1405 -10.1405 -2.2023 -2.2023 -1.9499 -1.9499 -0.1975 -0.1975 -0.1818 -0.1818 -0.1487 -0.1487 -0.0159 -0.0159 0.1356 0.1356 0.1495 0.1495 0.1719 0.1719 0.2156 0.2156 0.3540 0.3540 0.4597 0.4597 2.1790 2.1790 2.3826 2.3826 4.1575 4.1575 4.8575 4.8575 5.3426 5.3426 5.9873 5.9873 8.5297 8.5297 8.8536 8.8536 10.0066 10.0066 10.4922 10.4922 k = 0.3958 0.4691 0.2916 ( 4660 PWs) bands (ev): -28.4358 -28.4358 -11.2898 -11.2898 -10.1761 -10.1761 -10.1424 -10.1424 -2.1862 -2.1862 -1.9547 -1.9547 -0.1974 -0.1974 -0.1804 -0.1804 -0.1500 -0.1500 -0.0137 -0.0137 0.1365 0.1365 0.1513 0.1513 0.1718 0.1718 0.2136 0.2136 0.3552 0.3552 0.4644 0.4644 2.1896 2.1896 2.3880 2.3880 4.0954 4.0954 4.8199 4.8199 5.3291 5.3291 5.9460 5.9460 8.5687 8.5687 8.8499 8.8499 10.1592 10.1592 10.6391 10.6391 k = 0.3889 0.4811 0.2916 ( 4660 PWs) bands (ev): -28.4358 -28.4358 -11.2899 -11.2899 -10.1749 -10.1749 -10.1444 -10.1444 -2.1697 -2.1697 -1.9602 -1.9602 -0.1973 -0.1973 -0.1791 -0.1791 -0.1512 -0.1512 -0.0114 -0.0114 0.1372 0.1372 0.1533 0.1533 0.1716 0.1716 0.2116 0.2116 0.3566 0.3566 0.4686 0.4686 2.2001 2.2001 2.3920 2.3920 4.0379 4.0379 4.7761 4.7761 5.3300 5.3300 5.9042 5.9042 8.6071 8.6071 8.8444 8.8444 10.3143 10.3143 10.7727 10.7727 k = 0.3819 0.4932 0.2916 ( 4668 PWs) bands (ev): -28.4358 -28.4358 -11.2901 -11.2901 -10.1737 -10.1737 -10.1463 -10.1463 -2.1529 -2.1529 -1.9664 -1.9664 -0.1972 -0.1972 -0.1777 -0.1777 -0.1524 -0.1524 -0.0093 -0.0093 0.1377 0.1377 0.1555 0.1555 0.1715 0.1715 0.2096 0.2096 0.3583 0.3583 0.4723 0.4723 2.2105 2.2105 2.3942 2.3942 3.9857 3.9857 4.7301 4.7301 5.3419 5.3419 5.8622 5.8622 8.6442 8.6442 8.8380 8.8380 10.4696 10.4696 10.8828 10.8828 k = 0.3750 0.5052 0.2916 ( 4660 PWs) bands (ev): -28.4357 -28.4357 -11.2903 -11.2903 -10.1724 -10.1724 -10.1481 -10.1481 -2.1359 -2.1359 -1.9736 -1.9736 -0.1971 -0.1971 -0.1764 -0.1764 -0.1535 -0.1535 -0.0073 -0.0073 0.1381 0.1381 0.1577 0.1577 0.1714 0.1714 0.2078 0.2078 0.3603 0.3603 0.4754 0.4754 2.2205 2.2205 2.3945 2.3945 3.9395 3.9395 4.6854 4.6854 5.3618 5.3618 5.8202 5.8202 8.6792 8.6792 8.8313 8.8313 10.6231 10.6231 10.9560 10.9560 k = 0.3681 0.5172 0.2916 ( 4664 PWs) bands (ev): -28.4357 -28.4357 -11.2904 -11.2904 -10.1712 -10.1712 -10.1499 -10.1499 -2.1190 -2.1190 -1.9816 -1.9816 -0.1970 -0.1970 -0.1752 -0.1752 -0.1545 -0.1545 -0.0055 -0.0055 0.1383 0.1383 0.1599 0.1599 0.1713 0.1713 0.2060 0.2060 0.3624 0.3624 0.4778 0.4778 2.2302 2.2302 2.3929 2.3929 3.8998 3.8998 4.6446 4.6446 5.3874 5.3874 5.7783 5.7783 8.7112 8.7112 8.8248 8.8248 10.7726 10.7726 10.9868 10.9868 k = 0.3611 0.5292 0.2916 ( 4668 PWs) bands (ev): -28.4357 -28.4357 -11.2906 -11.2906 -10.1701 -10.1701 -10.1515 -10.1515 -2.1022 -2.1022 -1.9905 -1.9905 -0.1969 -0.1969 -0.1741 -0.1741 -0.1554 -0.1554 -0.0040 -0.0040 0.1385 0.1385 0.1618 0.1618 0.1714 0.1714 0.2044 0.2044 0.3645 0.3645 0.4796 0.4796 2.2392 2.2392 2.3895 2.3895 3.8669 3.8669 4.6096 4.6096 5.4170 5.4170 5.7369 5.7369 8.7392 8.7392 8.8188 8.8188 10.9153 10.9153 10.9889 10.9889 k = 0.3542 0.5413 0.2916 ( 4664 PWs) bands (ev): -28.4356 -28.4356 -11.2907 -11.2907 -10.1691 -10.1691 -10.1529 -10.1529 -2.0859 -2.0859 -2.0004 -2.0004 -0.1969 -0.1969 -0.1731 -0.1731 -0.1561 -0.1561 -0.0027 -0.0027 0.1386 0.1386 0.1634 0.1634 0.1715 0.1715 0.2031 0.2031 0.3666 0.3666 0.4807 0.4807 2.2475 2.2475 2.3848 2.3848 3.8413 3.8413 4.5814 4.5814 5.4494 5.4494 5.6963 5.6963 8.7622 8.7622 8.8138 8.8138 10.9745 10.9745 11.0540 11.0540 k = 0.3472 0.5533 0.2916 ( 4668 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1683 -10.1683 -10.1540 -10.1540 -2.0703 -2.0703 -2.0111 -2.0111 -0.1968 -0.1968 -0.1724 -0.1724 -0.1567 -0.1567 -0.0017 -0.0017 0.1386 0.1386 0.1645 0.1645 0.1718 0.1718 0.2020 0.2020 0.3684 0.3684 0.4813 0.4813 2.2544 2.2544 2.3795 2.3795 3.8230 3.8230 4.5610 4.5610 5.4830 5.4830 5.6574 5.6574 8.7789 8.7789 8.8104 8.8104 10.9630 10.9630 11.1764 11.1764 k = 0.3403 0.5653 0.2916 ( 4666 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1677 -10.1677 -10.1547 -10.1547 -2.0561 -2.0561 -2.0222 -2.0222 -0.1968 -0.1968 -0.1719 -0.1719 -0.1570 -0.1570 -0.0011 -0.0011 0.1386 0.1386 0.1651 0.1651 0.1720 0.1720 0.2014 0.2014 0.3696 0.3696 0.4815 0.4815 2.2592 2.2592 2.3750 2.3750 3.8121 3.8121 4.5487 4.5487 5.5144 5.5144 5.6230 5.6230 8.7880 8.7880 8.8095 8.8095 10.9546 10.9546 11.2789 11.2789 k = 0.3333 0.5774 0.2916 ( 4662 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1718 -0.1718 -0.1571 -0.1571 -0.0008 -0.0008 0.1386 0.1386 0.1652 0.1652 0.1722 0.1722 0.2012 0.2012 0.3701 0.3701 0.4816 0.4816 2.2610 2.2610 2.3731 2.3731 3.8085 3.8085 4.5446 4.5446 5.5311 5.5311 5.6055 5.6055 8.7902 8.7902 8.8100 8.8100 10.9518 10.9518 11.3253 11.3253 k = 0.3333 0.5774 0.2916 ( 4662 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1718 -0.1718 -0.1571 -0.1571 -0.0008 -0.0008 0.1386 0.1386 0.1652 0.1652 0.1722 0.1722 0.2012 0.2012 0.3701 0.3701 0.4816 0.4816 2.2610 2.2610 2.3731 2.3731 3.8085 3.8085 4.5446 4.5446 5.5311 5.5311 5.6055 5.6055 8.7902 8.7902 8.8100 8.8100 10.9518 10.9518 11.3253 11.3253 k = 0.3262 0.5651 0.2916 ( 4666 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1677 -10.1677 -10.1547 -10.1547 -2.0565 -2.0565 -2.0219 -2.0219 -0.1968 -0.1968 -0.1719 -0.1719 -0.1570 -0.1570 -0.0011 -0.0011 0.1386 0.1386 0.1651 0.1651 0.1720 0.1720 0.2014 0.2014 0.3695 0.3695 0.4816 0.4816 2.2590 2.2590 2.3755 2.3755 3.8122 3.8122 4.5488 4.5488 5.5139 5.5139 5.6236 5.6236 8.7887 8.7887 8.8087 8.8087 10.9540 10.9540 11.2972 11.2972 k = 0.3191 0.5528 0.2916 ( 4670 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1682 -10.1682 -10.1540 -10.1540 -2.0717 -2.0717 -2.0104 -2.0104 -0.1968 -0.1968 -0.1724 -0.1724 -0.1568 -0.1568 -0.0018 -0.0018 0.1386 0.1386 0.1647 0.1647 0.1715 0.1715 0.2019 0.2019 0.3675 0.3675 0.4818 0.4818 2.2534 2.2534 2.3833 2.3833 3.8230 3.8230 4.5612 4.5612 5.4814 5.4814 5.6583 5.6583 8.7838 8.7838 8.8055 8.8055 10.9569 10.9569 11.2495 11.2495 k = 0.3121 0.5405 0.2916 ( 4662 PWs) bands (ev): -28.4356 -28.4356 -11.2906 -11.2906 -10.1688 -10.1688 -10.1530 -10.1530 -2.0890 -2.0890 -1.9995 -1.9995 -0.1969 -0.1969 -0.1730 -0.1730 -0.1564 -0.1564 -0.0031 -0.0031 0.1387 0.1387 0.1640 0.1640 0.1708 0.1708 0.2027 0.2027 0.3640 0.3640 0.4824 0.4824 2.2456 2.2456 2.3962 2.3962 3.8405 3.8405 4.5815 4.5815 5.4464 5.4464 5.6966 5.6966 8.7727 8.7727 8.8041 8.8041 10.9505 10.9505 11.2077 11.2077 k = 0.3050 0.5282 0.2916 ( 4662 PWs) bands (ev): -28.4357 -28.4357 -11.2905 -11.2905 -10.1695 -10.1695 -10.1519 -10.1519 -2.1080 -2.1080 -1.9899 -1.9899 -0.1970 -0.1970 -0.1739 -0.1739 -0.1562 -0.1562 -0.0050 -0.0050 0.1389 0.1389 0.1630 0.1630 0.1701 0.1701 0.2036 0.2036 0.3588 0.3588 0.4831 0.4831 2.2375 2.2375 2.4135 2.4135 3.8644 3.8644 4.6091 4.6091 5.4116 5.4116 5.7356 5.7356 8.7548 8.7548 8.8057 8.8057 10.9216 10.9216 11.1866 11.1866 k = 0.2979 0.5159 0.2916 ( 4678 PWs) bands (ev): -28.4357 -28.4357 -11.2903 -11.2903 -10.1702 -10.1702 -10.1506 -10.1506 -2.1284 -2.1284 -1.9819 -1.9819 -0.1972 -0.1972 -0.1750 -0.1750 -0.1560 -0.1560 -0.0074 -0.0074 0.1392 0.1392 0.1616 0.1616 0.1693 0.1693 0.2044 0.2044 0.3523 0.3523 0.4839 0.4839 2.2309 2.2309 2.4348 2.4348 3.8942 3.8942 4.6436 4.6436 5.3778 5.3778 5.7739 5.7739 8.7319 8.7319 8.8099 8.8099 10.8683 10.8683 11.1789 11.1789 k = 0.2908 0.5036 0.2916 ( 4672 PWs) bands (ev): -28.4358 -28.4358 -11.2900 -11.2900 -10.1708 -10.1708 -10.1492 -10.1492 -2.1502 -2.1502 -1.9756 -1.9756 -0.1973 -0.1973 -0.1761 -0.1761 -0.1559 -0.1559 -0.0104 -0.0104 0.1395 0.1395 0.1600 0.1600 0.1686 0.1686 0.2052 0.2052 0.3446 0.3446 0.4844 0.4844 2.2272 2.2272 2.4597 2.4597 3.9295 3.9295 4.6843 4.6843 5.3456 5.3456 5.8110 5.8110 8.7057 8.7057 8.8163 8.8163 10.8003 10.8003 11.1589 11.1589 k = 0.2837 0.4914 0.2916 ( 4668 PWs) bands (ev): -28.4358 -28.4358 -11.2896 -11.2896 -10.1713 -10.1713 -10.1477 -10.1477 -2.1734 -2.1734 -1.9712 -1.9712 -0.1976 -0.1976 -0.1773 -0.1773 -0.1559 -0.1559 -0.0140 -0.0140 0.1398 0.1398 0.1580 0.1580 0.1681 0.1681 0.2058 0.2058 0.3360 0.3360 0.4843 0.4843 2.2277 2.2277 2.4879 2.4879 3.9699 3.9699 4.7305 4.7305 5.3150 5.3150 5.8462 5.8462 8.6775 8.6775 8.8248 8.8248 10.7260 10.7260 11.1290 11.1290 k = 0.2766 0.4791 0.2916 ( 4668 PWs) bands (ev): -28.4359 -28.4359 -11.2892 -11.2892 -10.1716 -10.1716 -10.1462 -10.1462 -2.1979 -2.1979 -1.9689 -1.9689 -0.1979 -0.1979 -0.1787 -0.1787 -0.1562 -0.1562 -0.0181 -0.0181 0.1400 0.1400 0.1559 0.1559 0.1677 0.1677 0.2062 0.2062 0.3270 0.3270 0.4833 0.4833 2.2333 2.2333 2.5192 2.5192 4.0150 4.0150 4.7818 4.7818 5.2866 5.2866 5.8790 5.8790 8.6485 8.6485 8.8354 8.8354 10.6501 10.6501 11.0978 11.0978 k = 0.2695 0.4668 0.2916 ( 4672 PWs) bands (ev): -28.4360 -28.4360 -11.2887 -11.2887 -10.1719 -10.1719 -10.1447 -10.1447 -2.2236 -2.2236 -1.9686 -1.9686 -0.1982 -0.1982 -0.1801 -0.1801 -0.1568 -0.1568 -0.0228 -0.0228 0.1401 0.1401 0.1538 0.1538 0.1673 0.1673 0.2064 0.2064 0.3178 0.3178 0.4811 0.4811 2.2449 2.2449 2.5536 2.5536 4.0645 4.0645 4.8374 4.8374 5.2605 5.2605 5.9088 5.9088 8.6201 8.6201 8.8482 8.8482 10.5751 10.5751 11.0678 11.0678 k = 0.2624 0.4545 0.2916 ( 4664 PWs) bands (ev): -28.4361 -28.4361 -11.2882 -11.2882 -10.1719 -10.1719 -10.1431 -10.1431 -2.2506 -2.2506 -1.9704 -1.9704 -0.1986 -0.1986 -0.1816 -0.1816 -0.1575 -0.1575 -0.0279 -0.0279 0.1397 0.1397 0.1520 0.1520 0.1670 0.1670 0.2064 0.2064 0.3088 0.3088 0.4776 0.4776 2.2632 2.2632 2.5908 2.5908 4.1179 4.1179 4.8963 4.8963 5.2375 5.2375 5.9352 5.9352 8.5931 8.5931 8.8632 8.8632 10.5025 10.5025 11.0396 11.0396 k = 0.2553 0.4422 0.2916 ( 4650 PWs) bands (ev): -28.4362 -28.4362 -11.2876 -11.2876 -10.1719 -10.1719 -10.1416 -10.1416 -2.2786 -2.2786 -1.9745 -1.9745 -0.1991 -0.1991 -0.1831 -0.1831 -0.1586 -0.1586 -0.0334 -0.0334 0.1386 0.1386 0.1507 0.1507 0.1665 0.1665 0.2062 0.2062 0.3002 0.3002 0.4727 0.4727 2.2885 2.2885 2.6306 2.6306 4.1750 4.1750 4.9572 4.9572 5.2184 5.2184 5.9577 5.9577 8.5684 8.5684 8.8805 8.8805 10.4332 10.4332 11.0129 11.0129 k = 0.2482 0.4299 0.2916 ( 4650 PWs) bands (ev): -28.4363 -28.4363 -11.2869 -11.2869 -10.1717 -10.1717 -10.1400 -10.1400 -2.3077 -2.3077 -1.9807 -1.9807 -0.1997 -0.1997 -0.1846 -0.1846 -0.1599 -0.1599 -0.0392 -0.0392 0.1367 0.1367 0.1501 0.1501 0.1660 0.1660 0.2058 0.2058 0.2923 0.2923 0.4663 0.4663 2.3211 2.3211 2.6728 2.6728 4.2354 4.2354 5.0175 5.0175 5.2058 5.2058 5.9760 5.9760 8.5467 8.5467 8.9003 8.9003 10.3679 10.3679 10.9856 10.9856 k = 0.2411 0.4177 0.2916 ( 4644 PWs) bands (ev): -28.4365 -28.4365 -11.2862 -11.2862 -10.1713 -10.1713 -10.1384 -10.1384 -2.3377 -2.3377 -1.9891 -1.9891 -0.2003 -0.2003 -0.1863 -0.1863 -0.1615 -0.1615 -0.0452 -0.0452 0.1340 0.1340 0.1499 0.1499 0.1654 0.1654 0.2054 0.2054 0.2852 0.2852 0.4585 0.4585 2.3611 2.3611 2.7171 2.7171 4.2990 4.2990 5.0698 5.0698 5.2065 5.2065 5.9898 5.9898 8.5285 8.5285 8.9225 8.9225 10.3074 10.3074 10.9499 10.9499 k = 0.2340 0.4054 0.2916 ( 4656 PWs) bands (ev): -28.4366 -28.4366 -11.2854 -11.2854 -10.1709 -10.1709 -10.1368 -10.1368 -2.3686 -2.3686 -1.9997 -1.9997 -0.2011 -0.2011 -0.1880 -0.1880 -0.1635 -0.1635 -0.0514 -0.0514 0.1308 0.1308 0.1498 0.1498 0.1647 0.1647 0.2049 0.2049 0.2789 0.2789 0.4495 0.4495 2.4086 2.4086 2.7634 2.7634 4.3653 4.3653 5.1004 5.1004 5.2341 5.2341 5.9991 5.9991 8.5141 8.5141 8.9472 8.9472 10.2521 10.2521 10.8908 10.8908 k = 0.2270 0.3931 0.2916 ( 4652 PWs) bands (ev): -28.4367 -28.4367 -11.2845 -11.2845 -10.1703 -10.1703 -10.1352 -10.1352 -2.4001 -2.4001 -2.0123 -2.0123 -0.2019 -0.2019 -0.1896 -0.1896 -0.1656 -0.1656 -0.0576 -0.0576 0.1273 0.1273 0.1497 0.1497 0.1639 0.1639 0.2046 0.2046 0.2735 0.2735 0.4394 0.4394 2.4635 2.4635 2.8112 2.8112 4.4342 4.4342 5.1087 5.1087 5.2888 5.2888 6.0037 6.0037 8.5037 8.5037 8.9746 8.9746 10.2025 10.2025 10.8161 10.8161 k = 0.2199 0.3808 0.2916 ( 4652 PWs) bands (ev): -28.4369 -28.4369 -11.2836 -11.2836 -10.1696 -10.1696 -10.1336 -10.1336 -2.4322 -2.4322 -2.0268 -2.0268 -0.2029 -0.2029 -0.1914 -0.1914 -0.1681 -0.1681 -0.0638 -0.0638 0.1236 0.1236 0.1491 0.1491 0.1633 0.1633 0.2046 0.2046 0.2689 0.2689 0.4285 0.4285 2.5254 2.5254 2.8603 2.8603 4.5054 4.5054 5.1088 5.1088 5.3563 5.3563 6.0039 6.0039 8.4972 8.4972 9.0046 9.0046 10.1590 10.1590 10.7378 10.7378 k = 0.2128 0.3685 0.2916 ( 4652 PWs) bands (ev): -28.4371 -28.4371 -11.2827 -11.2827 -10.1688 -10.1688 -10.1319 -10.1319 -2.4648 -2.4648 -2.0432 -2.0432 -0.2040 -0.2040 -0.1931 -0.1931 -0.1707 -0.1707 -0.0698 -0.0698 0.1198 0.1198 0.1480 0.1480 0.1630 0.1630 0.2048 0.2048 0.2651 0.2651 0.4170 0.4170 2.5943 2.5943 2.9103 2.9103 4.5786 4.5786 5.1084 5.1084 5.4285 5.4285 6.0001 6.0001 8.4944 8.4944 9.0374 9.0374 10.1220 10.1220 10.6599 10.6599 k = 0.2057 0.3562 0.2916 ( 4652 PWs) bands (ev): -28.4373 -28.4373 -11.2816 -11.2816 -10.1679 -10.1679 -10.1301 -10.1301 -2.4977 -2.4977 -2.0614 -2.0614 -0.2053 -0.2053 -0.1948 -0.1948 -0.1736 -0.1736 -0.0756 -0.0756 0.1159 0.1159 0.1462 0.1462 0.1629 0.1629 0.2054 0.2054 0.2619 0.2619 0.4052 0.4052 2.6696 2.6696 2.9609 2.9609 4.6534 4.6534 5.1103 5.1103 5.5018 5.5018 5.9932 5.9932 8.4949 8.4949 9.0730 9.0730 10.0916 10.0916 10.5842 10.5842 k = 0.1986 0.3440 0.2916 ( 4648 PWs) bands (ev): -28.4374 -28.4374 -11.2806 -11.2806 -10.1670 -10.1670 -10.1283 -10.1283 -2.5308 -2.5308 -2.0811 -2.0811 -0.2067 -0.2067 -0.1966 -0.1966 -0.1764 -0.1764 -0.0812 -0.0812 0.1120 0.1120 0.1439 0.1439 0.1632 0.1632 0.2064 0.2064 0.2592 0.2592 0.3932 0.3932 2.7509 2.7509 3.0118 3.0118 4.7294 4.7294 5.1160 5.1160 5.5739 5.5739 5.9846 5.9846 8.4983 8.4983 9.1114 9.1114 10.0677 10.0677 10.5119 10.5119 k = 0.1915 0.3317 0.2916 ( 4646 PWs) bands (ev): -28.4376 -28.4376 -11.2795 -11.2795 -10.1660 -10.1660 -10.1265 -10.1265 -2.5640 -2.5640 -2.1022 -2.1022 -0.2083 -0.2083 -0.1984 -0.1984 -0.1793 -0.1793 -0.0864 -0.0864 0.1080 0.1080 0.1412 0.1412 0.1636 0.1636 0.2077 0.2077 0.2570 0.2570 0.3813 0.3813 2.8378 2.8378 3.0629 3.0629 4.8060 4.8060 5.1266 5.1266 5.6419 5.6419 5.9766 5.9766 8.5040 8.5040 9.1527 9.1527 10.0501 10.0501 10.4442 10.4442 k = 0.1844 0.3194 0.2916 ( 4662 PWs) bands (ev): -28.4378 -28.4378 -11.2783 -11.2783 -10.1650 -10.1650 -10.1245 -10.1245 -2.5971 -2.5971 -2.1245 -2.1245 -0.2101 -0.2101 -0.2004 -0.2004 -0.1821 -0.1821 -0.0914 -0.0914 0.1041 0.1041 0.1382 0.1382 0.1641 0.1641 0.2092 0.2092 0.2550 0.2550 0.3695 0.3695 2.9293 2.9293 3.1143 3.1143 4.8822 4.8822 5.1433 5.1433 5.7009 5.7009 5.9740 5.9740 8.5113 8.5113 9.1969 9.1969 10.0376 10.0376 10.3829 10.3829 k = 0.1773 0.3071 0.2916 ( 4662 PWs) bands (ev): -28.4380 -28.4380 -11.2772 -11.2772 -10.1640 -10.1640 -10.1225 -10.1225 -2.6301 -2.6301 -2.1479 -2.1479 -0.2120 -0.2120 -0.2026 -0.2026 -0.1845 -0.1845 -0.0960 -0.0960 0.1002 0.1002 0.1351 0.1351 0.1646 0.1646 0.2111 0.2111 0.2532 0.2532 0.3582 0.3582 3.0235 3.0235 3.1672 3.1672 4.9566 4.9566 5.1678 5.1678 5.7431 5.7431 5.9845 5.9845 8.5199 8.5199 9.2439 9.2439 10.0284 10.0284 10.3302 10.3302 k = 0.1702 0.2948 0.2916 ( 4666 PWs) bands (ev): -28.4382 -28.4382 -11.2760 -11.2760 -10.1630 -10.1630 -10.1204 -10.1204 -2.6627 -2.6627 -2.1721 -2.1721 -0.2140 -0.2140 -0.2050 -0.2050 -0.1867 -0.1867 -0.1003 -0.1003 0.0964 0.0964 0.1320 0.1320 0.1651 0.1651 0.2132 0.2132 0.2516 0.2516 0.3473 0.3473 3.1157 3.1157 3.2256 3.2256 5.0268 5.0268 5.2024 5.2024 5.7616 5.7616 6.0151 6.0151 8.5290 8.5290 9.2936 9.2936 10.0194 10.0194 10.2894 10.2894 k = 0.1631 0.2825 0.2916 ( 4658 PWs) bands (ev): -28.4385 -28.4385 -11.2748 -11.2748 -10.1621 -10.1621 -10.1182 -10.1182 -2.6949 -2.6949 -2.1971 -2.1971 -0.2161 -0.2161 -0.2076 -0.2076 -0.1883 -0.1883 -0.1043 -0.1043 0.0927 0.0927 0.1288 0.1288 0.1655 0.1655 0.2154 0.2154 0.2501 0.2501 0.3370 0.3370 3.1946 3.1946 3.3001 3.3001 5.0902 5.0902 5.2499 5.2499 5.7593 5.7593 6.0631 6.0631 8.5382 8.5382 9.3458 9.3458 10.0067 10.0067 10.2638 10.2638 k = 0.1560 0.2702 0.2916 ( 4638 PWs) bands (ev): -28.4387 -28.4387 -11.2736 -11.2736 -10.1611 -10.1611 -10.1160 -10.1160 -2.7265 -2.7265 -2.2225 -2.2225 -0.2183 -0.2183 -0.2103 -0.2103 -0.1896 -0.1896 -0.1081 -0.1081 0.0892 0.0892 0.1258 0.1258 0.1659 0.1659 0.2179 0.2179 0.2488 0.2488 0.3275 0.3275 3.2531 3.2531 3.3971 3.3971 5.1462 5.1462 5.3103 5.3103 5.7443 5.7443 6.1205 6.1205 8.5468 8.5468 9.4004 9.4004 9.9880 9.9880 10.2517 10.2517 k = 0.1489 0.2580 0.2916 ( 4646 PWs) bands (ev): -28.4389 -28.4389 -11.2724 -11.2724 -10.1602 -10.1602 -10.1136 -10.1136 -2.7574 -2.7574 -2.2481 -2.2481 -0.2206 -0.2206 -0.2132 -0.2132 -0.1905 -0.1905 -0.1117 -0.1117 0.0857 0.0857 0.1227 0.1227 0.1661 0.1661 0.2203 0.2203 0.2474 0.2474 0.3186 0.3186 3.2986 3.2986 3.5087 3.5087 5.1973 5.1973 5.3805 5.3805 5.7236 5.7236 6.1810 6.1810 8.5543 8.5543 9.4568 9.4568 9.9648 9.9648 10.2235 10.2235 k = 0.1418 0.2457 0.2916 ( 4650 PWs) bands (ev): -28.4391 -28.4391 -11.2712 -11.2712 -10.1594 -10.1594 -10.1112 -10.1112 -2.7876 -2.7876 -2.2739 -2.2739 -0.2230 -0.2230 -0.2160 -0.2160 -0.1911 -0.1911 -0.1150 -0.1150 0.0823 0.0823 0.1198 0.1198 0.1662 0.1662 0.2229 0.2229 0.2460 0.2460 0.3105 0.3105 3.3371 3.3371 3.6285 3.6285 5.2470 5.2470 5.4556 5.4556 5.7019 5.7019 6.2414 6.2414 8.5599 8.5599 9.5140 9.5140 9.9406 9.9406 10.1601 10.1601 k = 0.1348 0.2334 0.2916 ( 4646 PWs) bands (ev): -28.4393 -28.4393 -11.2700 -11.2700 -10.1587 -10.1587 -10.1087 -10.1087 -2.8170 -2.8170 -2.2996 -2.2996 -0.2255 -0.2255 -0.2187 -0.2187 -0.1914 -0.1914 -0.1182 -0.1182 0.0791 0.0791 0.1169 0.1169 0.1662 0.1662 0.2255 0.2255 0.2447 0.2447 0.3032 0.3032 3.3708 3.3708 3.7539 3.7539 5.2970 5.2970 5.5293 5.5293 5.6851 5.6851 6.2998 6.2998 8.5626 8.5626 9.5704 9.5704 9.9196 9.9196 10.0921 10.0921 k = 0.1277 0.2211 0.2916 ( 4646 PWs) bands (ev): -28.4395 -28.4395 -11.2688 -11.2688 -10.1580 -10.1580 -10.1062 -10.1062 -2.8453 -2.8453 -2.3251 -2.3251 -0.2280 -0.2280 -0.2213 -0.2213 -0.1915 -0.1915 -0.1213 -0.1213 0.0760 0.0760 0.1142 0.1142 0.1660 0.1660 0.2281 0.2281 0.2434 0.2434 0.2967 0.2967 3.4004 3.4004 3.8837 3.8837 5.3469 5.3469 5.5853 5.5853 5.6908 5.6908 6.3552 6.3552 8.5614 8.5614 9.6222 9.6222 9.9047 9.9047 10.0292 10.0292 k = 0.1206 0.2088 0.2916 ( 4648 PWs) bands (ev): -28.4397 -28.4397 -11.2676 -11.2676 -10.1574 -10.1574 -10.1036 -10.1036 -2.8726 -2.8726 -2.3501 -2.3501 -0.2306 -0.2306 -0.2236 -0.2236 -0.1914 -0.1914 -0.1243 -0.1243 0.0731 0.0731 0.1115 0.1115 0.1657 0.1657 0.2307 0.2307 0.2422 0.2422 0.2909 0.2909 3.4263 3.4263 4.0171 4.0171 5.3935 5.3935 5.6031 5.6031 5.7430 5.7430 6.4070 6.4070 8.5550 8.5550 9.6611 9.6611 9.8984 9.8984 9.9802 9.9802 k = 0.1135 0.1965 0.2916 ( 4656 PWs) bands (ev): -28.4399 -28.4399 -11.2665 -11.2665 -10.1568 -10.1568 -10.1011 -10.1011 -2.8987 -2.8987 -2.3746 -2.3746 -0.2332 -0.2332 -0.2258 -0.2258 -0.1911 -0.1911 -0.1271 -0.1271 0.0703 0.0703 0.1090 0.1090 0.1653 0.1653 0.2329 0.2329 0.2411 0.2411 0.2859 0.2859 3.4490 3.4490 4.1535 4.1535 5.4289 5.4289 5.6137 5.6137 5.8187 5.8187 6.4547 6.4547 8.5420 8.5420 9.6723 9.6723 9.9012 9.9012 9.9603 9.9603 k = 0.1064 0.1843 0.2916 ( 4656 PWs) bands (ev): -28.4401 -28.4401 -11.2654 -11.2654 -10.1563 -10.1563 -10.0985 -10.0985 -2.9237 -2.9237 -2.3983 -2.3983 -0.2357 -0.2357 -0.2277 -0.2277 -0.1906 -0.1906 -0.1299 -0.1299 0.0676 0.0676 0.1066 0.1066 0.1647 0.1647 0.2346 0.2346 0.2407 0.2407 0.2815 0.2815 3.4685 3.4685 4.2923 4.2923 5.4442 5.4442 5.6438 5.6438 5.8998 5.8998 6.4982 6.4982 8.5209 8.5209 9.6469 9.6469 9.9126 9.9126 9.9790 9.9790 k = 0.0993 0.1720 0.2916 ( 4648 PWs) bands (ev): -28.4403 -28.4403 -11.2644 -11.2644 -10.1559 -10.1559 -10.0960 -10.0960 -2.9473 -2.9473 -2.4211 -2.4211 -0.2380 -0.2380 -0.2295 -0.2295 -0.1900 -0.1900 -0.1327 -0.1327 0.0652 0.0652 0.1044 0.1044 0.1641 0.1641 0.2352 0.2352 0.2414 0.2414 0.2778 0.2778 3.4852 3.4852 4.4326 4.4326 5.4421 5.4421 5.6954 5.6954 5.9818 5.9818 6.5377 6.5377 8.4905 8.4905 9.5954 9.5954 9.9356 9.9356 10.0208 10.0208 k = 0.0922 0.1597 0.2916 ( 4640 PWs) bands (ev): -28.4405 -28.4405 -11.2634 -11.2634 -10.1555 -10.1555 -10.0935 -10.0935 -2.9696 -2.9696 -2.4430 -2.4430 -0.2403 -0.2403 -0.2312 -0.2312 -0.1892 -0.1892 -0.1353 -0.1353 0.0628 0.0628 0.1022 0.1022 0.1634 0.1634 0.2347 0.2347 0.2431 0.2431 0.2746 0.2746 3.4994 3.4994 4.5731 4.5731 5.4329 5.4329 5.7599 5.7599 6.0631 6.0631 6.5732 6.5732 8.4496 8.4496 9.5311 9.5311 9.9704 9.9704 10.0669 10.0669 k = 0.0851 0.1474 0.2916 ( 4640 PWs) bands (ev): -28.4407 -28.4407 -11.2624 -11.2624 -10.1552 -10.1552 -10.0911 -10.0911 -2.9905 -2.9905 -2.4637 -2.4637 -0.2424 -0.2424 -0.2327 -0.2327 -0.1883 -0.1883 -0.1380 -0.1380 0.0606 0.0606 0.1002 0.1002 0.1627 0.1627 0.2338 0.2338 0.2452 0.2452 0.2719 0.2719 3.5113 3.5113 4.7115 4.7115 5.4244 5.4244 5.8313 5.8313 6.1425 6.1425 6.6051 6.6051 8.3974 8.3974 9.4611 9.4611 10.0154 10.0154 10.1019 10.1019 k = 0.0780 0.1351 0.2916 ( 4656 PWs) bands (ev): -28.4408 -28.4408 -11.2616 -11.2616 -10.1549 -10.1549 -10.0888 -10.0888 -3.0099 -3.0099 -2.4831 -2.4831 -0.2444 -0.2444 -0.2342 -0.2342 -0.1872 -0.1872 -0.1407 -0.1407 0.0585 0.0585 0.0983 0.0983 0.1619 0.1619 0.2329 0.2329 0.2473 0.2473 0.2696 0.2696 3.5212 3.5212 4.8440 4.8440 5.4230 5.4230 5.9064 5.9064 6.2192 6.2192 6.6338 6.6338 8.3334 8.3334 9.3886 9.3886 10.0642 10.0642 10.1166 10.1166 k = 0.0709 0.1228 0.2916 ( 4652 PWs) bands (ev): -28.4410 -28.4410 -11.2607 -11.2607 -10.1547 -10.1547 -10.0866 -10.0866 -3.0277 -3.0277 -2.5012 -2.5012 -0.2462 -0.2462 -0.2354 -0.2354 -0.1860 -0.1860 -0.1433 -0.1433 0.0566 0.0566 0.0966 0.0966 0.1611 0.1611 0.2320 0.2320 0.2493 0.2493 0.2677 0.2677 3.5293 3.5293 4.9628 4.9628 5.4374 5.4374 5.9832 5.9832 6.2922 6.2922 6.6601 6.6601 8.2572 8.2572 9.3153 9.3153 10.0719 10.0719 10.1503 10.1503 k = 0.0638 0.1106 0.2916 ( 4640 PWs) bands (ev): -28.4411 -28.4411 -11.2600 -11.2600 -10.1545 -10.1545 -10.0846 -10.0846 -3.0440 -3.0440 -2.5179 -2.5179 -0.2478 -0.2478 -0.2365 -0.2365 -0.1847 -0.1847 -0.1459 -0.1459 0.0549 0.0549 0.0951 0.0951 0.1603 0.1603 0.2313 0.2313 0.2513 0.2513 0.2660 0.2660 3.5359 3.5359 5.0558 5.0558 5.4798 5.4798 6.0600 6.0600 6.3605 6.3605 6.6847 6.6847 8.1689 8.1689 9.2425 9.2425 10.0344 10.0344 10.1573 10.1573 k = 0.0567 0.0983 0.2916 ( 4650 PWs) bands (ev): -28.4413 -28.4413 -11.2593 -11.2593 -10.1543 -10.1543 -10.0827 -10.0827 -3.0587 -3.0587 -2.5330 -2.5330 -0.2493 -0.2493 -0.2376 -0.2376 -0.1832 -0.1832 -0.1484 -0.1484 0.0533 0.0533 0.0937 0.0937 0.1596 0.1596 0.2306 0.2306 0.2531 0.2531 0.2646 0.2646 3.5412 3.5412 5.1137 5.1137 5.5596 5.5596 6.1357 6.1357 6.4228 6.4228 6.7086 6.7086 8.0691 8.0691 9.1713 9.1713 9.9849 9.9849 10.0654 10.0654 k = 0.0496 0.0860 0.2916 ( 4642 PWs) bands (ev): -28.4414 -28.4414 -11.2587 -11.2587 -10.1542 -10.1542 -10.0809 -10.0809 -3.0717 -3.0717 -2.5465 -2.5465 -0.2506 -0.2506 -0.2384 -0.2384 -0.1816 -0.1816 -0.1510 -0.1510 0.0519 0.0519 0.0925 0.0925 0.1589 0.1589 0.2300 0.2300 0.2547 0.2547 0.2635 0.2635 3.5455 3.5455 5.1413 5.1413 5.6710 5.6710 6.2089 6.2089 6.4778 6.4778 6.7327 6.7327 7.9587 7.9587 9.1029 9.1029 9.9329 9.9329 9.9823 9.9823 k = 0.0426 0.0737 0.2916 ( 4634 PWs) bands (ev): -28.4415 -28.4415 -11.2582 -11.2582 -10.1541 -10.1541 -10.0794 -10.0794 -3.0831 -3.0831 -2.5584 -2.5584 -0.2517 -0.2517 -0.2392 -0.2392 -0.1800 -0.1800 -0.1535 -0.1535 0.0507 0.0507 0.0915 0.0915 0.1583 0.1583 0.2296 0.2296 0.2561 0.2561 0.2625 0.2625 3.5488 3.5488 5.1513 5.1513 5.7999 5.7999 6.2786 6.2786 6.5244 6.5244 6.7581 6.7581 7.8391 7.8391 9.0385 9.0385 9.8827 9.8827 9.9107 9.9107 k = 0.0355 0.0614 0.2916 ( 4630 PWs) bands (ev): -28.4416 -28.4416 -11.2577 -11.2577 -10.1540 -10.1540 -10.0781 -10.0781 -3.0928 -3.0928 -2.5685 -2.5685 -0.2526 -0.2526 -0.2398 -0.2398 -0.1782 -0.1782 -0.1560 -0.1560 0.0497 0.0497 0.0906 0.0906 0.1578 0.1578 0.2292 0.2292 0.2574 0.2574 0.2617 0.2617 3.5514 3.5514 5.1530 5.1530 5.9349 5.9349 6.3437 6.3437 6.5625 6.5625 6.7846 6.7846 7.7125 7.7125 8.9796 8.9796 9.8369 9.8369 9.8511 9.8511 k = 0.0284 0.0491 0.2916 ( 4622 PWs) bands (ev): -28.4416 -28.4416 -11.2573 -11.2573 -10.1539 -10.1539 -10.0770 -10.0770 -3.1007 -3.1007 -2.5769 -2.5769 -0.2534 -0.2534 -0.2403 -0.2403 -0.1763 -0.1763 -0.1584 -0.1584 0.0488 0.0488 0.0899 0.0899 0.1573 0.1573 0.2289 0.2289 0.2584 0.2584 0.2611 0.2611 3.5533 3.5533 5.1511 5.1511 6.0668 6.0668 6.4037 6.4037 6.5942 6.5942 6.8111 6.8111 7.5816 7.5816 8.9280 8.9280 9.7967 9.7967 9.8037 9.8037 k = 0.0213 0.0369 0.2916 ( 4628 PWs) bands (ev): -28.4417 -28.4417 -11.2570 -11.2570 -10.1539 -10.1538 -10.0761 -10.0761 -3.1069 -3.1069 -2.5834 -2.5834 -0.2540 -0.2540 -0.2407 -0.2407 -0.1743 -0.1743 -0.1609 -0.1609 0.0482 0.0482 0.0893 0.0893 0.1570 0.1570 0.2287 0.2287 0.2592 0.2592 0.2606 0.2606 3.5547 3.5547 5.1482 5.1482 6.1855 6.1855 6.4573 6.4573 6.6247 6.6247 6.8354 6.8354 7.4507 7.4507 8.8853 8.8853 9.7622 9.7622 9.7692 9.7692 k = 0.0142 0.0246 0.2916 ( 4632 PWs) bands (ev): -28.4417 -28.4417 -11.2568 -11.2568 -10.1538 -10.1538 -10.0755 -10.0755 -3.1113 -3.1113 -2.5881 -2.5881 -0.2545 -0.2545 -0.2411 -0.2411 -0.1722 -0.1722 -0.1633 -0.1633 0.0477 0.0477 0.0888 0.0888 0.1567 0.1567 0.2285 0.2285 0.2597 0.2597 0.2603 0.2603 3.5556 3.5556 5.1455 5.1455 6.2786 6.2786 6.5002 6.5002 6.6629 6.6629 6.8550 6.8550 7.3275 7.3275 8.8533 8.8533 9.7363 9.7363 9.7455 9.7455 k = 0.0071 0.0123 0.2916 ( 4632 PWs) bands (ev): -28.4417 -28.4417 -11.2567 -11.2567 -10.1538 -10.1538 -10.0752 -10.0752 -3.1140 -3.1140 -2.5909 -2.5909 -0.2547 -0.2547 -0.2412 -0.2412 -0.1701 -0.1701 -0.1656 -0.1656 0.0474 0.0474 0.0886 0.0886 0.1565 0.1565 0.2284 0.2284 0.2600 0.2600 0.2602 0.2602 3.5561 3.5561 5.1436 5.1436 6.3358 6.3358 6.5259 6.5259 6.7095 6.7095 6.8677 6.8677 7.2285 7.2285 8.8334 8.8334 9.7205 9.7205 9.7314 9.7314 k = 0.0000 0.0000 0.2916 ( 4640 PWs) bands (ev): -28.4418 -28.4418 -11.2567 -11.2567 -10.1538 -10.1538 -10.0750 -10.0750 -3.1149 -3.1149 -2.5919 -2.5919 -0.2548 -0.2548 -0.2413 -0.2413 -0.1679 -0.1679 -0.1678 -0.1678 0.0473 0.0473 0.0885 0.0885 0.1565 0.1565 0.2284 0.2284 0.2599 0.2599 0.2603 0.2603 3.5563 3.5563 5.1430 5.1430 6.3546 6.3546 6.5338 6.5338 6.7345 6.7345 6.8720 6.8720 7.1870 7.1870 8.8267 8.8267 9.7152 9.7152 9.7267 9.7267 k = 0.5000 0.2887 0.2916 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3270 -2.3270 -1.9273 -1.9273 -0.1981 -0.1981 -0.1935 -0.1935 -0.1346 -0.1346 -0.0369 -0.0369 0.1255 0.1255 0.1404 0.1404 0.1723 0.1723 0.2303 0.2303 0.3583 0.3583 0.4010 0.4010 2.0862 2.0862 2.3015 2.3015 4.7523 4.7523 5.0324 5.0324 6.0819 6.0819 6.4745 6.4745 8.1331 8.1331 8.3186 8.3186 8.9093 8.9093 9.2223 9.2223 k = 0.5000 0.2887 0.2777 ( 4660 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3267 -2.3267 -1.9277 -1.9277 -0.1981 -0.1981 -0.1934 -0.1934 -0.1346 -0.1346 -0.0369 -0.0369 0.1256 0.1256 0.1404 0.1404 0.1723 0.1723 0.2303 0.2303 0.3583 0.3583 0.4009 0.4009 2.0842 2.0842 2.3052 2.3052 4.7517 4.7517 5.0326 5.0326 6.0779 6.0779 6.4693 6.4693 8.1260 8.1260 8.3293 8.3293 8.9059 8.9059 9.2394 9.2394 k = 0.5000 0.2887 0.2638 ( 4652 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3257 -2.3257 -1.9292 -1.9292 -0.1982 -0.1982 -0.1932 -0.1932 -0.1345 -0.1345 -0.0370 -0.0370 0.1257 0.1257 0.1403 0.1403 0.1724 0.1724 0.2302 0.2302 0.3584 0.3584 0.4006 0.4006 2.0787 2.0787 2.3158 2.3158 4.7498 4.7498 5.0333 5.0333 6.0659 6.0659 6.4543 6.4543 8.1070 8.1070 8.3587 8.3587 8.8998 8.8998 9.2865 9.2865 k = 0.5000 0.2887 0.2499 ( 4652 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3240 -2.3240 -1.9315 -1.9315 -0.1984 -0.1984 -0.1929 -0.1929 -0.1343 -0.1343 -0.0371 -0.0371 0.1259 0.1259 0.1403 0.1403 0.1726 0.1726 0.2302 0.2302 0.3585 0.3585 0.4001 0.4001 2.0705 2.0705 2.3323 2.3323 4.7468 4.7468 5.0346 5.0346 6.0457 6.0457 6.4309 6.4309 8.0803 8.0803 8.4016 8.4016 8.8981 8.8981 9.3558 9.3558 k = 0.5000 0.2887 0.2361 ( 4652 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3217 -2.3217 -1.9348 -1.9348 -0.1987 -0.1987 -0.1925 -0.1925 -0.1341 -0.1341 -0.0372 -0.0372 0.1262 0.1262 0.1403 0.1403 0.1728 0.1728 0.2301 0.2301 0.3586 0.3586 0.3994 0.3994 2.0607 2.0607 2.3536 2.3536 4.7424 4.7424 5.0367 5.0367 6.0171 6.0171 6.4014 6.4014 8.0486 8.0486 8.4544 8.4544 8.9061 8.9061 9.4409 9.4409 k = 0.5000 0.2887 0.2222 ( 4652 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1243 -10.1243 -2.3187 -2.3187 -1.9389 -1.9389 -0.1989 -0.1989 -0.1921 -0.1921 -0.1337 -0.1337 -0.0374 -0.0374 0.1265 0.1265 0.1403 0.1403 0.1730 0.1730 0.2300 0.2300 0.3588 0.3588 0.3985 0.3985 2.0502 2.0502 2.3786 2.3786 4.7367 4.7367 5.0397 5.0397 5.9800 5.9800 6.3681 6.3681 8.0133 8.0133 8.5142 8.5142 8.9264 8.9264 9.5377 9.5377 k = 0.5000 0.2887 0.2083 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.3152 -2.3152 -1.9438 -1.9438 -0.1992 -0.1992 -0.1916 -0.1916 -0.1334 -0.1334 -0.0377 -0.0377 0.1269 0.1269 0.1402 0.1402 0.1733 0.1733 0.2299 0.2299 0.3591 0.3591 0.3975 0.3975 2.0396 2.0396 2.4065 2.4065 4.7297 4.7297 5.0438 5.0438 5.9348 5.9348 6.3329 6.3329 7.9757 7.9757 8.5787 8.5787 8.9598 8.9598 9.6434 9.6434 k = 0.5000 0.2887 0.1944 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.3111 -2.3111 -1.9494 -1.9494 -0.1995 -0.1995 -0.1911 -0.1911 -0.1329 -0.1329 -0.0380 -0.0380 0.1274 0.1274 0.1401 0.1401 0.1737 0.1737 0.2298 0.2298 0.3593 0.3593 0.3963 0.3963 2.0294 2.0294 2.4367 2.4367 4.7214 4.7214 5.0492 5.0492 5.8822 5.8822 6.2976 6.2976 7.9369 7.9369 8.6462 8.6462 9.0059 9.0059 9.7560 9.7560 k = 0.5000 0.2887 0.1805 ( 4654 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.3064 -2.3064 -1.9557 -1.9557 -0.1997 -0.1997 -0.1906 -0.1906 -0.1324 -0.1324 -0.0383 -0.0383 0.1279 0.1279 0.1400 0.1400 0.1740 0.1740 0.2297 0.2297 0.3597 0.3597 0.3950 0.3950 2.0196 2.0196 2.4685 2.4685 4.7120 4.7120 5.0558 5.0558 5.8238 5.8238 6.2629 6.2629 7.8980 7.8980 8.7152 8.7152 9.0635 9.0635 9.8737 9.8737 k = 0.5000 0.2887 0.1666 ( 4672 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.3014 -2.3014 -1.9626 -1.9626 -0.2000 -0.2000 -0.1901 -0.1901 -0.1319 -0.1319 -0.0386 -0.0386 0.1284 0.1284 0.1399 0.1399 0.1744 0.1744 0.2295 0.2295 0.3600 0.3600 0.3936 0.3936 2.0106 2.0106 2.5015 2.5015 4.7017 4.7017 5.0638 5.0638 5.7610 5.7610 6.2292 6.2292 7.8599 7.8599 8.7851 8.7851 9.1304 9.1304 9.9951 9.9951 k = 0.5000 0.2887 0.1527 ( 4674 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2959 -2.2959 -1.9698 -1.9698 -0.2002 -0.2002 -0.1896 -0.1896 -0.1314 -0.1314 -0.0389 -0.0389 0.1289 0.1289 0.1397 0.1397 0.1748 0.1748 0.2293 0.2293 0.3604 0.3604 0.3922 0.3922 2.0023 2.0023 2.5352 2.5352 4.6908 4.6908 5.0730 5.0730 5.6957 5.6957 6.1968 6.1968 7.8232 7.8232 8.8556 8.8556 9.2042 9.2042 10.1185 10.1185 k = 0.5000 0.2887 0.1389 ( 4666 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2901 -2.2901 -1.9774 -1.9774 -0.2004 -0.2004 -0.1891 -0.1891 -0.1309 -0.1309 -0.0392 -0.0392 0.1296 0.1296 0.1396 0.1396 0.1753 0.1753 0.2292 0.2292 0.3608 0.3608 0.3907 0.3907 1.9948 1.9948 2.5691 2.5691 4.6795 4.6795 5.0831 5.0831 5.6296 5.6296 6.1657 6.1657 7.7886 7.7886 8.9267 8.9267 9.2819 9.2819 10.2424 10.2424 k = 0.5000 0.2887 0.1250 ( 4664 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2842 -2.2842 -1.9852 -1.9852 -0.2006 -0.2006 -0.1887 -0.1887 -0.1303 -0.1303 -0.0396 -0.0396 0.1302 0.1302 0.1394 0.1394 0.1757 0.1757 0.2290 0.2290 0.3612 0.3612 0.3892 0.3892 1.9881 1.9881 2.6026 2.6026 4.6682 4.6682 5.0941 5.0941 5.5643 5.5643 6.1361 6.1361 7.7565 7.7565 8.9984 8.9984 9.3605 9.3605 10.3652 10.3652 k = 0.5000 0.2887 0.1111 ( 4664 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2781 -2.2781 -1.9930 -1.9930 -0.2008 -0.2008 -0.1883 -0.1883 -0.1298 -0.1298 -0.0399 -0.0399 0.1308 0.1308 0.1392 0.1392 0.1761 0.1761 0.2289 0.2289 0.3617 0.3617 0.3877 0.3877 1.9823 1.9823 2.6351 2.6351 4.6571 4.6571 5.1055 5.1055 5.5012 5.5012 6.1081 6.1081 7.7272 7.7272 9.0704 9.0704 9.4368 9.4368 10.4853 10.4853 k = 0.5000 0.2887 0.0972 ( 4668 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2721 -2.2721 -2.0007 -2.0007 -0.2009 -0.2009 -0.1879 -0.1879 -0.1293 -0.1293 -0.0402 -0.0402 0.1315 0.1315 0.1390 0.1390 0.1765 0.1765 0.2287 0.2287 0.3622 0.3622 0.3862 0.3862 1.9772 1.9772 2.6661 2.6661 4.6466 4.6466 5.1171 5.1171 5.4418 5.4418 6.0820 6.0820 7.7009 7.7009 9.1423 9.1423 9.5077 9.5077 10.6012 10.6012 k = 0.5000 0.2887 0.0833 ( 4672 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2662 -2.2662 -2.0080 -2.0080 -0.2011 -0.2011 -0.1875 -0.1875 -0.1289 -0.1289 -0.0405 -0.0405 0.1321 0.1321 0.1387 0.1387 0.1769 0.1769 0.2286 0.2286 0.3627 0.3627 0.3848 0.3848 1.9729 1.9729 2.6948 2.6948 4.6370 4.6370 5.1285 5.1285 5.3873 5.3873 6.0581 6.0581 7.6779 7.6779 9.2133 9.2133 9.5701 9.5701 10.7117 10.7117 k = 0.5000 0.2887 0.0694 ( 4666 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1865 -10.1865 -10.1242 -10.1242 -2.2608 -2.2608 -2.0147 -2.0147 -0.2011 -0.2011 -0.1872 -0.1872 -0.1284 -0.1284 -0.0407 -0.0407 0.1327 0.1327 0.1385 0.1385 0.1772 0.1772 0.2284 0.2284 0.3632 0.3632 0.3835 0.3835 1.9692 1.9692 2.7206 2.7206 4.6285 4.6285 5.1392 5.1392 5.3388 5.3388 6.0369 6.0369 7.6582 7.6582 9.2822 9.2822 9.6210 9.6210 10.8159 10.8159 k = 0.5000 0.2887 0.0555 ( 4658 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2559 -2.2559 -2.0207 -2.0207 -0.2012 -0.2012 -0.1870 -0.1870 -0.1281 -0.1281 -0.0409 -0.0409 0.1333 0.1333 0.1382 0.1382 0.1775 0.1775 0.2283 0.2283 0.3636 0.3636 0.3824 0.3824 1.9663 1.9663 2.7429 2.7429 4.6213 4.6213 5.1488 5.1488 5.2974 5.2974 6.0187 6.0187 7.6420 7.6420 9.3474 9.3474 9.6586 9.6586 10.9133 10.9133 k = 0.5000 0.2887 0.0417 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2518 -2.2518 -2.0257 -2.0257 -0.2013 -0.2013 -0.1868 -0.1868 -0.1278 -0.1278 -0.0411 -0.0411 0.1338 0.1338 0.1379 0.1379 0.1778 0.1778 0.2282 0.2282 0.3640 0.3640 0.3815 0.3815 1.9641 1.9641 2.7610 2.7610 4.6155 4.6155 5.1571 5.1571 5.2640 5.2640 6.0040 6.0040 7.6294 7.6294 9.4065 9.4065 9.6820 9.6820 11.0025 11.0025 k = 0.5000 0.2887 0.0278 ( 4656 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2487 -2.2487 -2.0295 -2.0295 -0.2013 -0.2013 -0.1866 -0.1866 -0.1276 -0.1276 -0.0412 -0.0412 0.1342 0.1342 0.1376 0.1376 0.1779 0.1779 0.2282 0.2282 0.3643 0.3643 0.3808 0.3808 1.9625 1.9625 2.7744 2.7744 4.6113 4.6113 5.1635 5.1635 5.2392 5.2392 5.9931 5.9931 7.6203 7.6203 9.4559 9.4559 9.6926 9.6926 11.0799 11.0799 k = 0.5000 0.2887 0.0139 ( 4648 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2468 -2.2468 -2.0318 -2.0318 -0.2013 -0.2013 -0.1865 -0.1865 -0.1275 -0.1275 -0.0412 -0.0412 0.1345 0.1345 0.1375 0.1375 0.1781 0.1781 0.2282 0.2282 0.3646 0.3646 0.3803 0.3803 1.9616 1.9616 2.7826 2.7826 4.6087 4.6087 5.1678 5.1678 5.2238 5.2238 5.9865 5.9865 7.6148 7.6148 9.4904 9.4904 9.6946 9.6946 11.1365 11.1365 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -28.4363 -28.4363 -11.2879 -11.2879 -10.1866 -10.1866 -10.1242 -10.1242 -2.2461 -2.2461 -2.0326 -2.0326 -0.2013 -0.2013 -0.1865 -0.1865 -0.1274 -0.1274 -0.0412 -0.0412 0.1346 0.1346 0.1374 0.1374 0.1781 0.1781 0.2281 0.2281 0.3646 0.3646 0.3802 0.3802 1.9613 1.9613 2.7853 2.7853 4.6079 4.6079 5.1694 5.1694 5.2185 5.2185 5.9843 5.9843 7.6130 7.6130 9.5031 9.5031 9.6941 9.6941 11.1581 11.1581 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1559 -0.1559 0.0052 0.0052 0.1399 0.1399 0.1664 0.1664 0.1744 0.1744 0.2019 0.2019 0.3780 0.3780 0.4856 0.4856 2.3186 2.3186 2.4519 2.4519 3.4255 3.4255 5.0800 5.0800 5.1586 5.1586 5.2978 5.2978 9.6829 9.6829 9.8814 9.8814 9.9463 9.9463 10.7543 10.7543 k = 0.3333 0.5774 0.0139 ( 4671 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1559 -0.1559 0.0051 0.0051 0.1399 0.1399 0.1664 0.1664 0.1744 0.1744 0.2019 0.2019 0.3779 0.3779 0.4856 0.4856 2.3183 2.3183 2.4514 2.4514 3.4270 3.4270 5.0800 5.0800 5.1605 5.1605 5.2967 5.2967 9.6884 9.6884 9.8714 9.8714 9.9358 9.9358 10.7626 10.7626 k = 0.3333 0.5774 0.0278 ( 4683 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1560 -0.1560 0.0050 0.0050 0.1399 0.1399 0.1664 0.1664 0.1744 0.1744 0.2019 0.2019 0.3778 0.3778 0.4855 0.4855 2.3173 2.3173 2.4500 2.4500 3.4313 3.4313 5.0796 5.0796 5.1661 5.1661 5.2939 5.2939 9.7045 9.7045 9.8429 9.8429 9.9053 9.9053 10.7861 10.7861 k = 0.3333 0.5774 0.0417 ( 4683 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0282 -2.0282 -0.1968 -0.1968 -0.1732 -0.1732 -0.1560 -0.1560 0.0048 0.0048 0.1398 0.1398 0.1664 0.1664 0.1743 0.1743 0.2019 0.2019 0.3776 0.3776 0.4854 0.4854 2.3156 2.3156 2.4477 2.4477 3.4386 3.4386 5.0778 5.0778 5.1752 5.1752 5.2905 5.2905 9.7308 9.7308 9.7987 9.7987 9.8586 9.8586 10.8219 10.8219 k = 0.3333 0.5774 0.0555 ( 4689 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0283 -2.0283 -0.1968 -0.1968 -0.1731 -0.1731 -0.1561 -0.1561 0.0046 0.0046 0.1398 0.1398 0.1663 0.1663 0.1742 0.1742 0.2018 0.2018 0.3773 0.3773 0.4852 0.4852 2.3133 2.3133 2.4446 2.4446 3.4486 3.4486 5.0727 5.0727 5.1878 5.1878 5.2885 5.2885 9.7425 9.7425 9.7633 9.7633 9.8031 9.8031 10.8664 10.8664 k = 0.3333 0.5774 0.0694 ( 4671 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0485 -2.0485 -2.0283 -2.0283 -0.1968 -0.1968 -0.1730 -0.1730 -0.1561 -0.1561 0.0044 0.0044 0.1397 0.1397 0.1663 0.1663 0.1741 0.1741 0.2018 0.2018 0.3769 0.3769 0.4851 0.4851 2.3105 2.3105 2.4407 2.4407 3.4614 3.4614 5.0624 5.0624 5.2037 5.2037 5.2902 5.2902 9.6776 9.6776 9.7246 9.7246 9.8192 9.8192 10.9162 10.9162 k = 0.3333 0.5774 0.0833 ( 4668 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0484 -2.0484 -2.0284 -2.0284 -0.1968 -0.1968 -0.1729 -0.1729 -0.1561 -0.1561 0.0041 0.0041 0.1397 0.1397 0.1662 0.1662 0.1740 0.1740 0.2018 0.2018 0.3765 0.3765 0.4848 0.4848 2.3072 2.3072 2.4362 2.4362 3.4768 3.4768 5.0452 5.0452 5.2225 5.2225 5.2971 5.2971 9.6069 9.6069 9.6500 9.6500 9.8741 9.8741 10.9685 10.9685 k = 0.3333 0.5774 0.0972 ( 4668 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0484 -2.0484 -2.0284 -2.0284 -0.1968 -0.1968 -0.1728 -0.1728 -0.1562 -0.1562 0.0037 0.0037 0.1396 0.1396 0.1661 0.1661 0.1739 0.1739 0.2017 0.2017 0.3760 0.3760 0.4846 0.4846 2.3036 2.3036 2.4311 2.4311 3.4948 3.4948 5.0208 5.0208 5.2440 5.2440 5.3099 5.3099 9.5324 9.5324 9.5705 9.5705 9.9385 9.9385 11.0212 11.0212 k = 0.3333 0.5774 0.1111 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1677 -10.1677 -10.1549 -10.1549 -2.0484 -2.0484 -2.0285 -2.0285 -0.1968 -0.1968 -0.1727 -0.1727 -0.1563 -0.1563 0.0033 0.0033 0.1395 0.1395 0.1660 0.1660 0.1737 0.1737 0.2017 0.2017 0.3755 0.3755 0.4843 0.4843 2.2996 2.2996 2.4256 2.4256 3.5152 3.5152 4.9900 4.9900 5.2677 5.2677 5.3281 5.3281 9.4561 9.4561 9.4887 9.4887 10.0107 10.0107 11.0723 11.0723 k = 0.3333 0.5774 0.1250 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0483 -2.0483 -2.0286 -2.0286 -0.1968 -0.1968 -0.1726 -0.1726 -0.1564 -0.1564 0.0029 0.0029 0.1394 0.1394 0.1660 0.1660 0.1736 0.1736 0.2016 0.2016 0.3749 0.3749 0.4840 0.4840 2.2954 2.2954 2.4199 2.4199 3.5378 3.5378 4.9539 4.9539 5.2932 5.2932 5.3507 5.3507 9.3794 9.3794 9.4063 9.4063 10.0898 10.0898 11.1204 11.1204 k = 0.3333 0.5774 0.1389 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0483 -2.0483 -2.0287 -2.0287 -0.1968 -0.1968 -0.1725 -0.1725 -0.1565 -0.1565 0.0024 0.0024 0.1393 0.1393 0.1659 0.1659 0.1734 0.1734 0.2016 0.2016 0.3743 0.3743 0.4837 0.4837 2.2911 2.2911 2.4140 2.4140 3.5625 3.5625 4.9138 4.9138 5.3200 5.3200 5.3765 5.3765 9.3035 9.3035 9.3247 9.3247 10.1747 10.1747 11.1641 11.1641 k = 0.3333 0.5774 0.1527 ( 4689 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0483 -2.0483 -2.0288 -2.0288 -0.1968 -0.1968 -0.1725 -0.1725 -0.1566 -0.1566 0.0019 0.0019 0.1391 0.1391 0.1658 0.1658 0.1732 0.1732 0.2015 0.2015 0.3737 0.3737 0.4834 0.4834 2.2868 2.2868 2.4081 2.4081 3.5888 3.5888 4.8709 4.8709 5.3476 5.3476 5.4044 5.4044 9.2297 9.2297 9.2452 9.2452 10.2643 10.2643 11.2025 11.2025 k = 0.3333 0.5774 0.1666 ( 4671 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0482 -2.0482 -2.0288 -2.0288 -0.1968 -0.1968 -0.1723 -0.1723 -0.1566 -0.1566 0.0015 0.0015 0.1390 0.1390 0.1657 0.1657 0.1730 0.1730 0.2015 0.2015 0.3731 0.3731 0.4831 0.4831 2.2826 2.2826 2.4024 2.4024 3.6165 3.6165 4.8264 4.8264 5.3754 5.3754 5.4335 5.4335 9.1591 9.1591 9.1690 9.1690 10.3572 10.3572 11.2351 11.2351 k = 0.3333 0.5774 0.1805 ( 4683 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0482 -2.0482 -2.0289 -2.0289 -0.1968 -0.1968 -0.1723 -0.1723 -0.1567 -0.1567 0.0011 0.0011 0.1389 0.1389 0.1656 0.1656 0.1728 0.1728 0.2014 0.2014 0.3726 0.3726 0.4828 0.4828 2.2786 2.2786 2.3969 2.3969 3.6451 3.6451 4.7813 4.7813 5.4028 5.4028 5.4629 5.4629 9.0925 9.0925 9.0971 9.0971 10.4518 10.4518 11.2617 11.2617 k = 0.3333 0.5774 0.1944 ( 4683 PWs) bands (ev): -28.4356 -28.4356 -11.2909 -11.2909 -10.1676 -10.1676 -10.1549 -10.1549 -2.0481 -2.0481 -2.0290 -2.0290 -0.1968 -0.1968 -0.1722 -0.1722 -0.1568 -0.1568 0.0007 0.0007 0.1389 0.1389 0.1655 0.1655 0.1727 0.1727 0.2014 0.2014 0.3720 0.3720 0.4825 0.4825 2.2748 2.2748 2.3917 2.3917 3.6741 3.6741 4.7367 4.7367 5.4290 5.4290 5.4915 5.4915 9.0305 9.0305 9.0310 9.0310 10.5463 10.5463 11.2823 11.2823 k = 0.3333 0.5774 0.2083 ( 4674 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0481 -2.0481 -2.0290 -2.0290 -0.1968 -0.1968 -0.1721 -0.1721 -0.1569 -0.1569 0.0003 0.0003 0.1388 0.1388 0.1655 0.1655 0.1726 0.1726 0.2013 0.2013 0.3716 0.3716 0.4823 0.4823 2.2714 2.2714 2.3871 2.3871 3.7027 3.7027 4.6937 4.6937 5.4535 5.4535 5.5185 5.5185 8.9703 8.9703 8.9755 8.9755 10.6381 10.6381 11.2977 11.2977 k = 0.3333 0.5774 0.2222 ( 4677 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0481 -2.0481 -2.0291 -2.0291 -0.1968 -0.1968 -0.1720 -0.1720 -0.1569 -0.1569 -0.0000 -0.0000 0.1387 0.1387 0.1654 0.1654 0.1724 0.1724 0.2013 0.2013 0.3711 0.3711 0.4821 0.4821 2.2683 2.2683 2.3830 2.3830 3.7302 3.7302 4.6535 4.6535 5.4757 5.4757 5.5431 5.5431 8.9175 8.9175 8.9268 8.9268 10.7243 10.7243 11.3086 11.3086 k = 0.3333 0.5774 0.2361 ( 4677 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1719 -0.1719 -0.1570 -0.1570 -0.0003 -0.0003 0.1386 0.1386 0.1653 0.1653 0.1723 0.1723 0.2012 0.2012 0.3708 0.3708 0.4819 0.4819 2.2658 2.2658 2.3795 2.3795 3.7554 3.7554 4.6176 4.6176 5.4948 5.4948 5.5645 5.5645 8.8728 8.8728 8.8858 8.8858 10.8012 10.8012 11.3160 11.3160 k = 0.3333 0.5774 0.2499 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1719 -0.1719 -0.1570 -0.1570 -0.0005 -0.0005 0.1386 0.1386 0.1653 0.1653 0.1723 0.1723 0.2013 0.2013 0.3705 0.3705 0.4817 0.4817 2.2637 2.2637 2.3767 2.3767 3.7771 3.7771 4.5873 4.5873 5.5103 5.5103 5.5819 5.5819 8.8372 8.8372 8.8531 8.8531 10.8652 10.8652 11.3207 11.3207 k = 0.3333 0.5774 0.2638 ( 4662 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1718 -0.1718 -0.1570 -0.1570 -0.0007 -0.0007 0.1386 0.1386 0.1653 0.1653 0.1722 0.1722 0.2012 0.2012 0.3703 0.3703 0.4816 0.4816 2.2622 2.2622 2.3747 2.3747 3.7940 3.7940 4.5641 4.5641 5.5217 5.5217 5.5949 5.5949 8.8113 8.8113 8.8293 8.8293 10.9129 10.9129 11.3235 11.3235 k = 0.3333 0.5774 0.2777 ( 4665 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1718 -0.1718 -0.1571 -0.1571 -0.0008 -0.0008 0.1386 0.1386 0.1652 0.1652 0.1722 0.1722 0.2012 0.2012 0.3702 0.3702 0.4816 0.4816 2.2613 2.2613 2.3735 2.3735 3.8048 3.8048 4.5496 4.5496 5.5287 5.5287 5.6028 5.6028 8.7955 8.7955 8.8149 8.8149 10.9420 10.9420 11.3249 11.3249 k = 0.3333 0.5774 0.2916 ( 4662 PWs) bands (ev): -28.4356 -28.4356 -11.2908 -11.2908 -10.1676 -10.1676 -10.1549 -10.1549 -2.0480 -2.0480 -2.0292 -2.0292 -0.1968 -0.1968 -0.1718 -0.1718 -0.1571 -0.1571 -0.0008 -0.0008 0.1386 0.1386 0.1652 0.1652 0.1722 0.1722 0.2012 0.2012 0.3701 0.3701 0.4816 0.4816 2.2610 2.2610 2.3731 2.3731 3.8085 3.8085 4.5446 4.5446 5.5311 5.5311 5.6055 5.6055 8.7902 8.7902 8.8100 8.8100 10.9518 10.9518 11.3253 11.3253 Writing output data file SrxZnSbx2.save init_run : 0.33s CPU 0.49s WALL ( 1 calls) electrons : 144.75s CPU 146.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 144.74s CPU 146.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 296 calls) cegterg : 131.00s CPU 132.57s WALL ( 324 calls) Called by sum_band: Called by *egterg: h_psi : 70.16s CPU 71.13s WALL ( 6040 calls) s_psi : 5.76s CPU 5.99s WALL ( 6040 calls) g_psi : 0.25s CPU 0.23s WALL ( 5420 calls) cdiaghg : 48.30s CPU 49.08s WALL ( 5716 calls) cegterg:over : 6.26s CPU 5.97s WALL ( 5420 calls) cegterg:upda : 5.30s CPU 5.39s WALL ( 5420 calls) cegterg:last : 2.74s CPU 2.79s WALL ( 950 calls) cdiaghg:chol : 2.75s CPU 2.80s WALL ( 5716 calls) cdiaghg:inve : 1.81s CPU 1.91s WALL ( 5716 calls) cdiaghg:para : 3.02s CPU 3.11s WALL ( 11432 calls) Called by h_psi: h_psi:vloc : 56.98s CPU 57.76s WALL ( 6040 calls) h_psi:vnl : 12.97s CPU 13.15s WALL ( 6040 calls) add_vuspsi : 6.97s CPU 6.93s WALL ( 6040 calls) General routines calbec : 5.96s CPU 6.20s WALL ( 6040 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.93s CPU 53.72s WALL ( 692636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.20s WALL ( 592 calls) Parallel routines fft_scatter : 19.44s CPU 19.76s WALL ( 692659 calls) PWSCF : 2m40.88s CPU 2m54.03s WALL This run was terminated on: 21:15: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=