Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:16: 1 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: ./BaAgP.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 26 25 7 1308 1215 189 Max 27 26 8 1319 1230 198 Sum 955 925 265 47275 44053 6867 bravais-lattice index = 14 lattice parameter (alat) = 8.4962 a.u. unit-cell volume = 1042.8986 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.496208 celldm(2)= 1.000000 celldm(3)= 1.963523 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 1.963523 ) 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 0.509289 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Ag 11.00 107.86820 Ag( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0034843 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0034843 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0034843 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0034843 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0034843 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0034843 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0034843 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0034843 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0034843 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0034843 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0034843 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0034843 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0034843 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0034843 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0034843 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0034843 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0034843 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0034843 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0034843 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0034843 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0034843 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0034843 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0034843 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0034843 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0034843 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0034843 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0034843 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034843 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0034843 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034843 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0034843 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0034843 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0034843 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034843 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0034843 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034843 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0034843 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0034843 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0034843 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0034843 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0034843 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0034843 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0034843 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0034843 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0034843 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0034843 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0034843 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0034843 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0034843 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0034843 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0034843 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0034843 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0034843 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0034843 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0034843 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0034843 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0034843 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0034843 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0034843 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0034843 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0034843 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0034843 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0034843 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0034843 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0034843 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0034843 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0034843 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0034843 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0034843 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0034843 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0034843 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0034843 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0034843 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0034843 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0034843 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0034843 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0034843 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0034843 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0034843 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0034843 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0034843 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0034843 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0034843 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0034843 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0034843 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0141469), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.0282938), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.0424407), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.0565876), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.0707345), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.0848814), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.0990283), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.1131752), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.1273222), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.1414691), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.1556160), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.1697629), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.1839098), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.1980567), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.2122036), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.2263505), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.2404974), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.2546443), wk = 0.0034843 k( 135) = ( 0.0000000 0.0000000 0.2546443), wk = 0.0034843 k( 136) = ( 0.0121951 0.0070409 0.2546443), wk = 0.0034843 k( 137) = ( 0.0243902 0.0140817 0.2546443), wk = 0.0034843 k( 138) = ( 0.0365854 0.0211226 0.2546443), wk = 0.0034843 k( 139) = ( 0.0487805 0.0281634 0.2546443), wk = 0.0034843 k( 140) = ( 0.0609756 0.0352043 0.2546443), wk = 0.0034843 k( 141) = ( 0.0731707 0.0422451 0.2546443), wk = 0.0034843 k( 142) = ( 0.0853658 0.0492860 0.2546443), wk = 0.0034843 k( 143) = ( 0.0975610 0.0563269 0.2546443), wk = 0.0034843 k( 144) = ( 0.1097561 0.0633677 0.2546443), wk = 0.0034843 k( 145) = ( 0.1219512 0.0704086 0.2546443), wk = 0.0034843 k( 146) = ( 0.1341463 0.0774494 0.2546443), wk = 0.0034843 k( 147) = ( 0.1463415 0.0844903 0.2546443), wk = 0.0034843 k( 148) = ( 0.1585366 0.0915311 0.2546443), wk = 0.0034843 k( 149) = ( 0.1707317 0.0985720 0.2546443), wk = 0.0034843 k( 150) = ( 0.1829268 0.1056129 0.2546443), wk = 0.0034843 k( 151) = ( 0.1951219 0.1126537 0.2546443), wk = 0.0034843 k( 152) = ( 0.2073171 0.1196946 0.2546443), wk = 0.0034843 k( 153) = ( 0.2195122 0.1267354 0.2546443), wk = 0.0034843 k( 154) = ( 0.2317073 0.1337763 0.2546443), wk = 0.0034843 k( 155) = ( 0.2439024 0.1408171 0.2546443), wk = 0.0034843 k( 156) = ( 0.2560976 0.1478580 0.2546443), wk = 0.0034843 k( 157) = ( 0.2682927 0.1548989 0.2546443), wk = 0.0034843 k( 158) = ( 0.2804878 0.1619397 0.2546443), wk = 0.0034843 k( 159) = ( 0.2926829 0.1689806 0.2546443), wk = 0.0034843 k( 160) = ( 0.3048781 0.1760214 0.2546443), wk = 0.0034843 k( 161) = ( 0.3170732 0.1830623 0.2546443), wk = 0.0034843 k( 162) = ( 0.3292683 0.1901031 0.2546443), wk = 0.0034843 k( 163) = ( 0.3414634 0.1971440 0.2546443), wk = 0.0034843 k( 164) = ( 0.3536585 0.2041849 0.2546443), wk = 0.0034843 k( 165) = ( 0.3658537 0.2112257 0.2546443), wk = 0.0034843 k( 166) = ( 0.3780488 0.2182666 0.2546443), wk = 0.0034843 k( 167) = ( 0.3902439 0.2253074 0.2546443), wk = 0.0034843 k( 168) = ( 0.4024390 0.2323483 0.2546443), wk = 0.0034843 k( 169) = ( 0.4146341 0.2393891 0.2546443), wk = 0.0034843 k( 170) = ( 0.4268293 0.2464300 0.2546443), wk = 0.0034843 k( 171) = ( 0.4390244 0.2534708 0.2546443), wk = 0.0034843 k( 172) = ( 0.4512195 0.2605117 0.2546443), wk = 0.0034843 k( 173) = ( 0.4634146 0.2675526 0.2546443), wk = 0.0034843 k( 174) = ( 0.4756098 0.2745934 0.2546443), wk = 0.0034843 k( 175) = ( 0.4878049 0.2816343 0.2546443), wk = 0.0034843 k( 176) = ( 0.5000000 0.2886751 0.2546443), wk = 0.0034843 k( 177) = ( 0.5000000 0.2886751 0.2546443), wk = 0.0034843 k( 178) = ( 0.4930556 0.3007033 0.2546443), wk = 0.0034843 k( 179) = ( 0.4861111 0.3127314 0.2546443), wk = 0.0034843 k( 180) = ( 0.4791667 0.3247595 0.2546443), wk = 0.0034843 k( 181) = ( 0.4722222 0.3367877 0.2546443), wk = 0.0034843 k( 182) = ( 0.4652778 0.3488158 0.2546443), wk = 0.0034843 k( 183) = ( 0.4583333 0.3608439 0.2546443), wk = 0.0034843 k( 184) = ( 0.4513889 0.3728720 0.2546443), wk = 0.0034843 k( 185) = ( 0.4444444 0.3849002 0.2546443), wk = 0.0034843 k( 186) = ( 0.4375000 0.3969283 0.2546443), wk = 0.0034843 k( 187) = ( 0.4305556 0.4089564 0.2546443), wk = 0.0034843 k( 188) = ( 0.4236111 0.4209846 0.2546443), wk = 0.0034843 k( 189) = ( 0.4166667 0.4330127 0.2546443), wk = 0.0034843 k( 190) = ( 0.4097222 0.4450408 0.2546443), wk = 0.0034843 k( 191) = ( 0.4027778 0.4570690 0.2546443), wk = 0.0034843 k( 192) = ( 0.3958333 0.4690971 0.2546443), wk = 0.0034843 k( 193) = ( 0.3888889 0.4811252 0.2546443), wk = 0.0034843 k( 194) = ( 0.3819444 0.4931534 0.2546443), wk = 0.0034843 k( 195) = ( 0.3750000 0.5051815 0.2546443), wk = 0.0034843 k( 196) = ( 0.3680556 0.5172096 0.2546443), wk = 0.0034843 k( 197) = ( 0.3611111 0.5292377 0.2546443), wk = 0.0034843 k( 198) = ( 0.3541667 0.5412659 0.2546443), wk = 0.0034843 k( 199) = ( 0.3472222 0.5532940 0.2546443), wk = 0.0034843 k( 200) = ( 0.3402778 0.5653221 0.2546443), wk = 0.0034843 k( 201) = ( 0.3333333 0.5773503 0.2546443), wk = 0.0034843 k( 202) = ( 0.3333333 0.5773503 0.2546443), wk = 0.0034843 k( 203) = ( 0.3262411 0.5650662 0.2546443), wk = 0.0034843 k( 204) = ( 0.3191489 0.5527822 0.2546443), wk = 0.0034843 k( 205) = ( 0.3120567 0.5404981 0.2546443), wk = 0.0034843 k( 206) = ( 0.3049645 0.5282141 0.2546443), wk = 0.0034843 k( 207) = ( 0.2978723 0.5159300 0.2546443), wk = 0.0034843 k( 208) = ( 0.2907801 0.5036460 0.2546443), wk = 0.0034843 k( 209) = ( 0.2836879 0.4913619 0.2546443), wk = 0.0034843 k( 210) = ( 0.2765957 0.4790779 0.2546443), wk = 0.0034843 k( 211) = ( 0.2695035 0.4667938 0.2546443), wk = 0.0034843 k( 212) = ( 0.2624113 0.4545098 0.2546443), wk = 0.0034843 k( 213) = ( 0.2553191 0.4422257 0.2546443), wk = 0.0034843 k( 214) = ( 0.2482270 0.4299417 0.2546443), wk = 0.0034843 k( 215) = ( 0.2411348 0.4176576 0.2546443), wk = 0.0034843 k( 216) = ( 0.2340425 0.4053736 0.2546443), wk = 0.0034843 k( 217) = ( 0.2269503 0.3930895 0.2546443), wk = 0.0034843 k( 218) = ( 0.2198582 0.3808055 0.2546443), wk = 0.0034843 k( 219) = ( 0.2127660 0.3685215 0.2546443), wk = 0.0034843 k( 220) = ( 0.2056738 0.3562374 0.2546443), wk = 0.0034843 k( 221) = ( 0.1985816 0.3439534 0.2546443), wk = 0.0034843 k( 222) = ( 0.1914894 0.3316693 0.2546443), wk = 0.0034843 k( 223) = ( 0.1843972 0.3193852 0.2546443), wk = 0.0034843 k( 224) = ( 0.1773050 0.3071012 0.2546443), wk = 0.0034843 k( 225) = ( 0.1702128 0.2948172 0.2546443), wk = 0.0034843 k( 226) = ( 0.1631206 0.2825331 0.2546443), wk = 0.0034843 k( 227) = ( 0.1560284 0.2702491 0.2546443), wk = 0.0034843 k( 228) = ( 0.1489362 0.2579650 0.2546443), wk = 0.0034843 k( 229) = ( 0.1418440 0.2456810 0.2546443), wk = 0.0034843 k( 230) = ( 0.1347518 0.2333969 0.2546443), wk = 0.0034843 k( 231) = ( 0.1276596 0.2211129 0.2546443), wk = 0.0034843 k( 232) = ( 0.1205674 0.2088288 0.2546443), wk = 0.0034843 k( 233) = ( 0.1134752 0.1965448 0.2546443), wk = 0.0034843 k( 234) = ( 0.1063830 0.1842607 0.2546443), wk = 0.0034843 k( 235) = ( 0.0992908 0.1719767 0.2546443), wk = 0.0034843 k( 236) = ( 0.0921986 0.1596926 0.2546443), wk = 0.0034843 k( 237) = ( 0.0851064 0.1474086 0.2546443), wk = 0.0034843 k( 238) = ( 0.0780142 0.1351245 0.2546443), wk = 0.0034843 k( 239) = ( 0.0709220 0.1228405 0.2546443), wk = 0.0034843 k( 240) = ( 0.0638298 0.1105564 0.2546443), wk = 0.0034843 k( 241) = ( 0.0567376 0.0982724 0.2546443), wk = 0.0034843 k( 242) = ( 0.0496454 0.0859883 0.2546443), wk = 0.0034843 k( 243) = ( 0.0425532 0.0737043 0.2546443), wk = 0.0034843 k( 244) = ( 0.0354610 0.0614202 0.2546443), wk = 0.0034843 k( 245) = ( 0.0283688 0.0491362 0.2546443), wk = 0.0034843 k( 246) = ( 0.0212766 0.0368522 0.2546443), wk = 0.0034843 k( 247) = ( 0.0141844 0.0245681 0.2546443), wk = 0.0034843 k( 248) = ( 0.0070922 0.0122841 0.2546443), wk = 0.0034843 k( 249) = ( 0.0000000 0.0000000 0.2546443), wk = 0.0034843 k( 250) = ( 0.5000000 0.2886751 0.2546443), wk = 0.0034843 k( 251) = ( 0.5000000 0.2886751 0.2404974), wk = 0.0034843 k( 252) = ( 0.5000000 0.2886751 0.2263505), wk = 0.0034843 k( 253) = ( 0.5000000 0.2886751 0.2122036), wk = 0.0034843 k( 254) = ( 0.5000000 0.2886751 0.1980567), wk = 0.0034843 k( 255) = ( 0.5000000 0.2886751 0.1839098), wk = 0.0034843 k( 256) = ( 0.5000000 0.2886751 0.1697629), wk = 0.0034843 k( 257) = ( 0.5000000 0.2886751 0.1556160), wk = 0.0034843 k( 258) = ( 0.5000000 0.2886751 0.1414691), wk = 0.0034843 k( 259) = ( 0.5000000 0.2886751 0.1273222), wk = 0.0034843 k( 260) = ( 0.5000000 0.2886751 0.1131752), wk = 0.0034843 k( 261) = ( 0.5000000 0.2886751 0.0990283), wk = 0.0034843 k( 262) = ( 0.5000000 0.2886751 0.0848814), wk = 0.0034843 k( 263) = ( 0.5000000 0.2886751 0.0707345), wk = 0.0034843 k( 264) = ( 0.5000000 0.2886751 0.0565876), wk = 0.0034843 k( 265) = ( 0.5000000 0.2886751 0.0424407), wk = 0.0034843 k( 266) = ( 0.5000000 0.2886751 0.0282938), wk = 0.0034843 k( 267) = ( 0.5000000 0.2886751 0.0141469), wk = 0.0034843 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 270) = ( 0.3333333 0.5773503 0.0141469), wk = 0.0034843 k( 271) = ( 0.3333333 0.5773503 0.0282938), wk = 0.0034843 k( 272) = ( 0.3333333 0.5773503 0.0424407), wk = 0.0034843 k( 273) = ( 0.3333333 0.5773503 0.0565876), wk = 0.0034843 k( 274) = ( 0.3333333 0.5773503 0.0707345), wk = 0.0034843 k( 275) = ( 0.3333333 0.5773503 0.0848814), wk = 0.0034843 k( 276) = ( 0.3333333 0.5773503 0.0990283), wk = 0.0034843 k( 277) = ( 0.3333333 0.5773503 0.1131752), wk = 0.0034843 k( 278) = ( 0.3333333 0.5773503 0.1273222), wk = 0.0034843 k( 279) = ( 0.3333333 0.5773503 0.1414691), wk = 0.0034843 k( 280) = ( 0.3333333 0.5773503 0.1556160), wk = 0.0034843 k( 281) = ( 0.3333333 0.5773503 0.1697629), wk = 0.0034843 k( 282) = ( 0.3333333 0.5773503 0.1839098), wk = 0.0034843 k( 283) = ( 0.3333333 0.5773503 0.1980567), wk = 0.0034843 k( 284) = ( 0.3333333 0.5773503 0.2122036), wk = 0.0034843 k( 285) = ( 0.3333333 0.5773503 0.2263505), wk = 0.0034843 k( 286) = ( 0.3333333 0.5773503 0.2404974), wk = 0.0034843 k( 287) = ( 0.3333333 0.5773503 0.2546443), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0034843 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0034843 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0034843 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0034843 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0034843 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0034843 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0034843 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0034843 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0034843 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0034843 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0034843 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0034843 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0034843 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0034843 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034843 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0034843 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0034843 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0034843 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0034843 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0034843 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0034843 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0034843 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0034843 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0034843 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0034843 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0034843 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0034843 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034843 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0034843 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0034843 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0034843 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0034843 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0034843 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0034843 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0034843 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0034843 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0034843 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0034843 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0034843 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0034843 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0034843 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0034843 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034843 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034843 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0034843 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0034843 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0034843 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0034843 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0034843 k( 74) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0034843 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0034843 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0034843 k( 77) = ( 0.2695035 0.2695036 0.0000000), wk = 0.0034843 k( 78) = ( 0.2624113 0.2624114 0.0000000), wk = 0.0034843 k( 79) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0034843 k( 80) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0034843 k( 81) = ( 0.2411348 0.2411348 0.0000000), wk = 0.0034843 k( 82) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0034843 k( 83) = ( 0.2269503 0.2269504 0.0000000), wk = 0.0034843 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0034843 k( 85) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0034843 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0034843 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0034843 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0034843 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0034843 k( 90) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0034843 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0034843 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0034843 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0034843 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0034843 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0034843 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0034843 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0034843 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0034843 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0034843 k( 100) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0034843 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0034843 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0034843 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0034843 k( 104) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0034843 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0034843 k( 106) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0034843 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0034843 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0034843 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0034843 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0034843 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0034843 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0034843 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 136) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0034843 k( 137) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0034843 k( 138) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0034843 k( 139) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0034843 k( 140) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0034843 k( 141) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0034843 k( 142) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0034843 k( 143) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0034843 k( 144) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0034843 k( 145) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0034843 k( 146) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0034843 k( 147) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0034843 k( 148) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0034843 k( 149) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0034843 k( 150) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0034843 k( 151) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0034843 k( 152) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0034843 k( 153) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0034843 k( 154) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0034843 k( 155) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0034843 k( 156) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0034843 k( 157) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0034843 k( 158) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0034843 k( 159) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0034843 k( 160) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0034843 k( 161) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0034843 k( 162) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0034843 k( 163) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0034843 k( 164) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0034843 k( 165) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0034843 k( 166) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0034843 k( 167) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0034843 k( 168) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0034843 k( 169) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0034843 k( 170) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0034843 k( 171) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0034843 k( 172) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0034843 k( 173) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0034843 k( 174) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0034843 k( 175) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0034843 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 178) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0034843 k( 179) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0034843 k( 180) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0034843 k( 181) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0034843 k( 182) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0034843 k( 183) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034843 k( 184) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0034843 k( 185) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034843 k( 186) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0034843 k( 187) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0034843 k( 188) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0034843 k( 189) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034843 k( 190) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0034843 k( 191) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0034843 k( 192) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0034843 k( 193) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034843 k( 194) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0034843 k( 195) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034843 k( 196) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0034843 k( 197) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0034843 k( 198) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0034843 k( 199) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0034843 k( 200) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0034843 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 203) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0034843 k( 204) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0034843 k( 205) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0034843 k( 206) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0034843 k( 207) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0034843 k( 208) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0034843 k( 209) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0034843 k( 210) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0034843 k( 211) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0034843 k( 212) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0034843 k( 213) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0034843 k( 214) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0034843 k( 215) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0034843 k( 216) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0034843 k( 217) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0034843 k( 218) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0034843 k( 219) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0034843 k( 220) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0034843 k( 221) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0034843 k( 222) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0034843 k( 223) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0034843 k( 224) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0034843 k( 225) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0034843 k( 226) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0034843 k( 227) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0034843 k( 228) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0034843 k( 229) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0034843 k( 230) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0034843 k( 231) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0034843 k( 232) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0034843 k( 233) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0034843 k( 234) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0034843 k( 235) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0034843 k( 236) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0034843 k( 237) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0034843 k( 238) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0034843 k( 239) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0034843 k( 240) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0034843 k( 241) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0034843 k( 242) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0034843 k( 243) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0034843 k( 244) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0034843 k( 245) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0034843 k( 246) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0034843 k( 247) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0034843 k( 248) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0034843 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0034843 k( 252) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0034843 k( 253) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034843 k( 254) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0034843 k( 255) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0034843 k( 256) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034843 k( 257) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0034843 k( 258) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0034843 k( 259) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034843 k( 260) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0034843 k( 261) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0034843 k( 262) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034843 k( 263) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0034843 k( 264) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0034843 k( 265) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034843 k( 266) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0034843 k( 267) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0034843 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034843 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034843 k( 270) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0034843 k( 271) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0034843 k( 272) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034843 k( 273) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0034843 k( 274) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0034843 k( 275) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034843 k( 276) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0034843 k( 277) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0034843 k( 278) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034843 k( 279) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0034843 k( 280) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0034843 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034843 k( 282) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0034843 k( 283) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0034843 k( 284) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034843 k( 285) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0034843 k( 286) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0034843 k( 287) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 Dense grid: 47275 G-vectors FFT dimensions: ( 40, 40, 75) Smooth grid: 44053 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 326, 62) NL pseudopotentials 0.51 Mb ( 163, 206) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1310) G-vector shells 0.00 Mb ( 643) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.23 Mb ( 326, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) The potential is recalculated from file : ./BaAgP.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.5 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.9 secs Computing kpt #: 11 total cpu time spent up to now is 10.6 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.5 secs Computing kpt #: 16 total cpu time spent up to now is 14.2 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.5 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.1 secs Computing kpt #: 23 total cpu time spent up to now is 19.8 secs Computing kpt #: 24 total cpu time spent up to now is 20.5 secs Computing kpt #: 25 total cpu time spent up to now is 21.3 secs Computing kpt #: 26 total cpu time spent up to now is 22.0 secs Computing kpt #: 27 total cpu time spent up to now is 22.7 secs Computing kpt #: 28 total cpu time spent up to now is 23.4 secs Computing kpt #: 29 total cpu time spent up to now is 24.2 secs Computing kpt #: 30 total cpu time spent up to now is 24.9 secs Computing kpt #: 31 total cpu time spent up to now is 25.7 secs Computing kpt #: 32 total cpu time spent up to now is 26.4 secs Computing kpt #: 33 total cpu time spent up to now is 27.2 secs Computing kpt #: 34 total cpu time spent up to now is 27.9 secs Computing kpt #: 35 total cpu time spent up to now is 28.7 secs Computing kpt #: 36 total cpu time spent up to now is 29.4 secs Computing kpt #: 37 total cpu time spent up to now is 30.1 secs Computing kpt #: 38 total cpu time spent up to now is 30.8 secs Computing kpt #: 39 total cpu time spent up to now is 31.5 secs Computing kpt #: 40 total cpu time spent up to now is 32.1 secs Computing kpt #: 41 total cpu time spent up to now is 32.8 secs Computing kpt #: 42 total cpu time spent up to now is 33.5 secs Computing kpt #: 43 total cpu time spent up to now is 34.2 secs Computing kpt #: 44 total cpu time spent up to now is 34.8 secs Computing kpt #: 45 total cpu time spent up to now is 35.5 secs Computing kpt #: 46 total cpu time spent up to now is 36.2 secs Computing kpt #: 47 total cpu time spent up to now is 36.9 secs Computing kpt #: 48 total cpu time spent up to now is 37.6 secs Computing kpt #: 49 total cpu time spent up to now is 38.3 secs Computing kpt #: 50 total cpu time spent up to now is 38.9 secs Computing kpt #: 51 total cpu time spent up to now is 39.6 secs Computing kpt #: 52 total cpu time spent up to now is 40.3 secs Computing kpt #: 53 total cpu time spent up to now is 41.0 secs Computing kpt #: 54 total cpu time spent up to now is 41.7 secs Computing kpt #: 55 total cpu time spent up to now is 42.4 secs Computing kpt #: 56 total cpu time spent up to now is 43.1 secs Computing kpt #: 57 total cpu time spent up to now is 43.8 secs Computing kpt #: 58 total cpu time spent up to now is 44.5 secs Computing kpt #: 59 total cpu time spent up to now is 45.2 secs Computing kpt #: 60 total cpu time spent up to now is 45.9 secs Computing kpt #: 61 total cpu time spent up to now is 46.6 secs Computing kpt #: 62 total cpu time spent up to now is 47.2 secs Computing kpt #: 63 total cpu time spent up to now is 47.9 secs Computing kpt #: 64 total cpu time spent up to now is 48.6 secs Computing kpt #: 65 total cpu time spent up to now is 49.3 secs Computing kpt #: 66 total cpu time spent up to now is 49.9 secs Computing kpt #: 67 total cpu time spent up to now is 50.6 secs Computing kpt #: 68 total cpu time spent up to now is 51.2 secs Computing kpt #: 69 total cpu time spent up to now is 51.9 secs Computing kpt #: 70 total cpu time spent up to now is 52.6 secs Computing kpt #: 71 total cpu time spent up to now is 53.2 secs Computing kpt #: 72 total cpu time spent up to now is 54.0 secs Computing kpt #: 73 total cpu time spent up to now is 54.9 secs Computing kpt #: 74 total cpu time spent up to now is 55.6 secs Computing kpt #: 75 total cpu time spent up to now is 56.3 secs Computing kpt #: 76 total cpu time spent up to now is 56.9 secs Computing kpt #: 77 total cpu time spent up to now is 57.6 secs Computing kpt #: 78 total cpu time spent up to now is 58.2 secs Computing kpt #: 79 total cpu time spent up to now is 58.9 secs Computing kpt #: 80 total cpu time spent up to now is 59.5 secs Computing kpt #: 81 total cpu time spent up to now is 60.2 secs Computing kpt #: 82 total cpu time spent up to now is 60.8 secs Computing kpt #: 83 total cpu time spent up to now is 61.5 secs Computing kpt #: 84 total cpu time spent up to now is 62.1 secs Computing kpt #: 85 total cpu time spent up to now is 62.8 secs Computing kpt #: 86 total cpu time spent up to now is 63.4 secs Computing kpt #: 87 total cpu time spent up to now is 64.1 secs Computing kpt #: 88 total cpu time spent up to now is 64.7 secs Computing kpt #: 89 total cpu time spent up to now is 65.4 secs Computing kpt #: 90 total cpu time spent up to now is 66.1 secs Computing kpt #: 91 total cpu time spent up to now is 66.8 secs Computing kpt #: 92 total cpu time spent up to now is 67.5 secs Computing kpt #: 93 total cpu time spent up to now is 68.2 secs Computing kpt #: 94 total cpu time spent up to now is 69.0 secs Computing kpt #: 95 total cpu time spent up to now is 69.7 secs Computing kpt #: 96 total cpu time spent up to now is 70.5 secs Computing kpt #: 97 total cpu time spent up to now is 71.2 secs Computing kpt #: 98 total cpu time spent up to now is 72.1 secs Computing kpt #: 99 total cpu time spent up to now is 72.8 secs Computing kpt #: 100 total cpu time spent up to now is 73.6 secs Computing kpt #: 101 total cpu time spent up to now is 74.5 secs Computing kpt #: 102 total cpu time spent up to now is 75.3 secs Computing kpt #: 103 total cpu time spent up to now is 76.2 secs Computing kpt #: 104 total cpu time spent up to now is 76.9 secs Computing kpt #: 105 total cpu time spent up to now is 77.6 secs Computing kpt #: 106 total cpu time spent up to now is 78.3 secs Computing kpt #: 107 total cpu time spent up to now is 79.0 secs Computing kpt #: 108 total cpu time spent up to now is 79.7 secs Computing kpt #: 109 total cpu time spent up to now is 80.4 secs Computing kpt #: 110 total cpu time spent up to now is 81.2 secs Computing kpt #: 111 total cpu time spent up to now is 81.9 secs Computing kpt #: 112 total cpu time spent up to now is 82.6 secs Computing kpt #: 113 total cpu time spent up to now is 83.3 secs Computing kpt #: 114 total cpu time spent up to now is 84.0 secs Computing kpt #: 115 total cpu time spent up to now is 84.7 secs Computing kpt #: 116 total cpu time spent up to now is 85.4 secs Computing kpt #: 117 total cpu time spent up to now is 86.1 secs Computing kpt #: 118 total cpu time spent up to now is 86.8 secs Computing kpt #: 119 total cpu time spent up to now is 87.5 secs Computing kpt #: 120 total cpu time spent up to now is 88.2 secs Computing kpt #: 121 total cpu time spent up to now is 89.0 secs Computing kpt #: 122 total cpu time spent up to now is 89.7 secs Computing kpt #: 123 total cpu time spent up to now is 90.4 secs Computing kpt #: 124 total cpu time spent up to now is 91.1 secs Computing kpt #: 125 total cpu time spent up to now is 91.8 secs Computing kpt #: 126 total cpu time spent up to now is 92.6 secs Computing kpt #: 127 total cpu time spent up to now is 93.5 secs Computing kpt #: 128 total cpu time spent up to now is 94.3 secs Computing kpt #: 129 total cpu time spent up to now is 95.2 secs Computing kpt #: 130 total cpu time spent up to now is 95.9 secs Computing kpt #: 131 total cpu time spent up to now is 96.9 secs Computing kpt #: 132 total cpu time spent up to now is 97.6 secs Computing kpt #: 133 total cpu time spent up to now is 98.3 secs Computing kpt #: 134 total cpu time spent up to now is 99.0 secs Computing kpt #: 135 total cpu time spent up to now is 99.7 secs Computing kpt #: 136 total cpu time spent up to now is 100.4 secs Computing kpt #: 137 total cpu time spent up to now is 101.1 secs Computing kpt #: 138 total cpu time spent up to now is 101.8 secs Computing kpt #: 139 total cpu time spent up to now is 102.5 secs Computing kpt #: 140 total cpu time spent up to now is 103.2 secs Computing kpt #: 141 total cpu time spent up to now is 103.9 secs Computing kpt #: 142 total cpu time spent up to now is 104.6 secs Computing kpt #: 143 total cpu time spent up to now is 105.3 secs Computing kpt #: 144 total cpu time spent up to now is 106.2 secs Computing kpt #: 145 total cpu time spent up to now is 106.9 secs Computing kpt #: 146 total cpu time spent up to now is 107.6 secs Computing kpt #: 147 total cpu time spent up to now is 108.3 secs Computing kpt #: 148 total cpu time spent up to now is 109.0 secs Computing kpt #: 149 total cpu time spent up to now is 109.7 secs Computing kpt #: 150 total cpu time spent up to now is 110.4 secs Computing kpt #: 151 total cpu time spent up to now is 111.1 secs Computing kpt #: 152 total cpu time spent up to now is 111.8 secs Computing kpt #: 153 total cpu time spent up to now is 112.5 secs Computing kpt #: 154 total cpu time spent up to now is 113.2 secs Computing kpt #: 155 total cpu time spent up to now is 113.9 secs Computing kpt #: 156 total cpu time spent up to now is 114.6 secs Computing kpt #: 157 total cpu time spent up to now is 115.3 secs Computing kpt #: 158 total cpu time spent up to now is 116.2 secs Computing kpt #: 159 total cpu time spent up to now is 117.1 secs Computing kpt #: 160 total cpu time spent up to now is 118.0 secs Computing kpt #: 161 total cpu time spent up to now is 118.9 secs Computing kpt #: 162 total cpu time spent up to now is 119.8 secs Computing kpt #: 163 total cpu time spent up to now is 120.7 secs Computing kpt #: 164 total cpu time spent up to now is 121.5 secs Computing kpt #: 165 total cpu time spent up to now is 122.4 secs Computing kpt #: 166 total cpu time spent up to now is 123.3 secs Computing kpt #: 167 total cpu time spent up to now is 124.1 secs Computing kpt #: 168 total cpu time spent up to now is 125.0 secs Computing kpt #: 169 total cpu time spent up to now is 125.8 secs Computing kpt #: 170 total cpu time spent up to now is 126.7 secs Computing kpt #: 171 total cpu time spent up to now is 127.6 secs Computing kpt #: 172 total cpu time spent up to now is 128.4 secs Computing kpt #: 173 total cpu time spent up to now is 129.3 secs Computing kpt #: 174 total cpu time spent up to now is 130.1 secs Computing kpt #: 175 total cpu time spent up to now is 131.0 secs Computing kpt #: 176 total cpu time spent up to now is 131.9 secs Computing kpt #: 177 total cpu time spent up to now is 132.8 secs Computing kpt #: 178 total cpu time spent up to now is 133.6 secs Computing kpt #: 179 total cpu time spent up to now is 134.5 secs Computing kpt #: 180 total cpu time spent up to now is 135.9 secs Computing kpt #: 181 total cpu time spent up to now is 137.4 secs Computing kpt #: 182 total cpu time spent up to now is 138.5 secs Computing kpt #: 183 total cpu time spent up to now is 139.6 secs Computing kpt #: 184 total cpu time spent up to now is 140.6 secs Computing kpt #: 185 total cpu time spent up to now is 141.6 secs Computing kpt #: 186 total cpu time spent up to now is 142.7 secs Computing kpt #: 187 total cpu time spent up to now is 143.7 secs Computing kpt #: 188 total cpu time spent up to now is 144.7 secs Computing kpt #: 189 total cpu time spent up to now is 145.8 secs Computing kpt #: 190 total cpu time spent up to now is 146.8 secs Computing kpt #: 191 total cpu time spent up to now is 147.7 secs Computing kpt #: 192 total cpu time spent up to now is 148.7 secs Computing kpt #: 193 total cpu time spent up to now is 149.7 secs Computing kpt #: 194 total cpu time spent up to now is 150.6 secs Computing kpt #: 195 total cpu time spent up to now is 151.5 secs Computing kpt #: 196 total cpu time spent up to now is 152.4 secs Computing kpt #: 197 total cpu time spent up to now is 153.3 secs Computing kpt #: 198 total cpu time spent up to now is 154.2 secs Computing kpt #: 199 total cpu time spent up to now is 155.1 secs Computing kpt #: 200 total cpu time spent up to now is 155.9 secs Computing kpt #: 201 total cpu time spent up to now is 156.9 secs Computing kpt #: 202 total cpu time spent up to now is 158.3 secs Computing kpt #: 203 total cpu time spent up to now is 159.2 secs Computing kpt #: 204 total cpu time spent up to now is 160.0 secs Computing kpt #: 205 total cpu time spent up to now is 160.9 secs Computing kpt #: 206 total cpu time spent up to now is 161.7 secs Computing kpt #: 207 total cpu time spent up to now is 162.6 secs Computing kpt #: 208 total cpu time spent up to now is 163.4 secs Computing kpt #: 209 total cpu time spent up to now is 164.3 secs Computing kpt #: 210 total cpu time spent up to now is 165.1 secs Computing kpt #: 211 total cpu time spent up to now is 166.0 secs Computing kpt #: 212 total cpu time spent up to now is 166.8 secs Computing kpt #: 213 total cpu time spent up to now is 167.7 secs Computing kpt #: 214 total cpu time spent up to now is 168.6 secs Computing kpt #: 215 total cpu time spent up to now is 169.4 secs Computing kpt #: 216 total cpu time spent up to now is 170.1 secs Computing kpt #: 217 total cpu time spent up to now is 170.9 secs Computing kpt #: 218 total cpu time spent up to now is 171.7 secs Computing kpt #: 219 total cpu time spent up to now is 172.4 secs Computing kpt #: 220 total cpu time spent up to now is 173.2 secs Computing kpt #: 221 total cpu time spent up to now is 173.9 secs Computing kpt #: 222 total cpu time spent up to now is 174.7 secs Computing kpt #: 223 total cpu time spent up to now is 175.4 secs Computing kpt #: 224 total cpu time spent up to now is 176.2 secs Computing kpt #: 225 total cpu time spent up to now is 176.9 secs Computing kpt #: 226 total cpu time spent up to now is 177.7 secs Computing kpt #: 227 total cpu time spent up to now is 178.5 secs Computing kpt #: 228 total cpu time spent up to now is 179.3 secs Computing kpt #: 229 total cpu time spent up to now is 180.0 secs Computing kpt #: 230 total cpu time spent up to now is 180.7 secs Computing kpt #: 231 total cpu time spent up to now is 181.5 secs Computing kpt #: 232 total cpu time spent up to now is 182.3 secs Computing kpt #: 233 total cpu time spent up to now is 183.1 secs Computing kpt #: 234 total cpu time spent up to now is 183.9 secs Computing kpt #: 235 total cpu time spent up to now is 184.6 secs Computing kpt #: 236 total cpu time spent up to now is 185.4 secs Computing kpt #: 237 total cpu time spent up to now is 186.1 secs Computing kpt #: 238 total cpu time spent up to now is 186.8 secs Computing kpt #: 239 total cpu time spent up to now is 187.5 secs Computing kpt #: 240 total cpu time spent up to now is 188.2 secs Computing kpt #: 241 total cpu time spent up to now is 189.0 secs Computing kpt #: 242 total cpu time spent up to now is 189.7 secs Computing kpt #: 243 total cpu time spent up to now is 190.5 secs Computing kpt #: 244 total cpu time spent up to now is 191.2 secs Computing kpt #: 245 total cpu time spent up to now is 192.1 secs Computing kpt #: 246 total cpu time spent up to now is 193.1 secs Computing kpt #: 247 total cpu time spent up to now is 194.2 secs Computing kpt #: 248 total cpu time spent up to now is 195.0 secs Computing kpt #: 249 total cpu time spent up to now is 195.7 secs Computing kpt #: 250 total cpu time spent up to now is 196.5 secs Computing kpt #: 251 total cpu time spent up to now is 197.4 secs Computing kpt #: 252 total cpu time spent up to now is 198.2 secs Computing kpt #: 253 total cpu time spent up to now is 199.1 secs Computing kpt #: 254 total cpu time spent up to now is 199.9 secs Computing kpt #: 255 total cpu time spent up to now is 200.8 secs Computing kpt #: 256 total cpu time spent up to now is 201.6 secs Computing kpt #: 257 total cpu time spent up to now is 202.5 secs Computing kpt #: 258 total cpu time spent up to now is 203.3 secs Computing kpt #: 259 total cpu time spent up to now is 204.0 secs Computing kpt #: 260 total cpu time spent up to now is 204.9 secs Computing kpt #: 261 total cpu time spent up to now is 205.6 secs Computing kpt #: 262 total cpu time spent up to now is 206.4 secs Computing kpt #: 263 total cpu time spent up to now is 207.1 secs Computing kpt #: 264 total cpu time spent up to now is 207.8 secs Computing kpt #: 265 total cpu time spent up to now is 208.5 secs Computing kpt #: 266 total cpu time spent up to now is 209.2 secs Computing kpt #: 267 total cpu time spent up to now is 209.9 secs Computing kpt #: 268 total cpu time spent up to now is 210.6 secs Computing kpt #: 269 total cpu time spent up to now is 211.2 secs Computing kpt #: 270 total cpu time spent up to now is 211.9 secs Computing kpt #: 271 total cpu time spent up to now is 212.5 secs Computing kpt #: 272 total cpu time spent up to now is 213.2 secs Computing kpt #: 273 total cpu time spent up to now is 213.8 secs Computing kpt #: 274 total cpu time spent up to now is 214.5 secs Computing kpt #: 275 total cpu time spent up to now is 215.2 secs Computing kpt #: 276 total cpu time spent up to now is 215.8 secs Computing kpt #: 277 total cpu time spent up to now is 216.5 secs Computing kpt #: 278 total cpu time spent up to now is 217.2 secs Computing kpt #: 279 total cpu time spent up to now is 217.8 secs Computing kpt #: 280 total cpu time spent up to now is 218.5 secs Computing kpt #: 281 total cpu time spent up to now is 219.2 secs Computing kpt #: 282 total cpu time spent up to now is 219.9 secs Computing kpt #: 283 total cpu time spent up to now is 220.6 secs Computing kpt #: 284 total cpu time spent up to now is 221.3 secs Computing kpt #: 285 total cpu time spent up to now is 222.0 secs Computing kpt #: 286 total cpu time spent up to now is 222.8 secs Computing kpt #: 287 total cpu time spent up to now is 223.7 secs ethr = 1.92E-08, avg # of iterations = 20.8 total cpu time spent up to now is 223.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -18.1602 -18.1602 -18.1385 -18.1385 -4.9187 -4.9187 -4.7444 -4.7444 -3.2220 -3.2220 -2.7399 -2.7399 -2.6994 -2.6994 -2.6478 -2.6478 -0.6808 -0.6808 0.2433 0.2433 3.7980 3.7980 3.9735 3.9735 4.1484 4.1484 4.3290 4.3290 4.3925 4.3925 4.5971 4.5971 4.8356 4.8356 4.9001 4.9001 5.0231 5.0231 5.2236 5.2236 6.2668 6.2668 8.5517 8.5517 9.0120 9.0120 9.0607 9.0607 9.7431 9.7431 9.7670 9.7670 10.1499 10.1499 10.6228 10.6228 10.8526 10.8526 11.6014 11.6014 11.6318 11.6318 k = 0.0122 0.0070-0.0000 ( 5477 PWs) bands (ev): -18.1602 -18.1602 -18.1384 -18.1384 -4.9187 -4.9187 -4.7447 -4.7447 -3.2218 -3.2218 -2.7401 -2.7401 -2.7002 -2.7002 -2.6483 -2.6483 -0.6792 -0.6792 0.2426 0.2426 3.7988 3.7988 3.9735 3.9735 4.1492 4.1492 4.3288 4.3288 4.3930 4.3930 4.5967 4.5967 4.8358 4.8358 4.9003 4.9003 5.0224 5.0224 5.2234 5.2234 6.2702 6.2702 8.5504 8.5504 9.0062 9.0062 9.0559 9.0559 9.7119 9.7119 9.7521 9.7521 10.1840 10.1840 10.6237 10.6237 10.8587 10.8587 11.6107 11.6107 11.6418 11.6418 k = 0.0244 0.0141-0.0000 ( 5473 PWs) bands (ev): -18.1600 -18.1600 -18.1383 -18.1383 -4.9186 -4.9186 -4.7454 -4.7454 -3.2214 -3.2214 -2.7407 -2.7407 -2.7024 -2.7024 -2.6496 -2.6496 -0.6744 -0.6744 0.2404 0.2404 3.8012 3.8012 3.9734 3.9734 4.1517 4.1517 4.3283 4.3283 4.3945 4.3945 4.5958 4.5958 4.8364 4.8364 4.9011 4.9011 5.0205 5.0205 5.2228 5.2228 6.2805 6.2805 8.5466 8.5466 8.9852 8.9852 9.0457 9.0457 9.6226 9.6226 9.7290 9.7290 10.2611 10.2611 10.6264 10.6264 10.8772 10.8772 11.6367 11.6367 11.6729 11.6729 k = 0.0366 0.0211-0.0000 ( 5475 PWs) bands (ev): -18.1598 -18.1598 -18.1381 -18.1381 -4.9185 -4.9185 -4.7465 -4.7465 -3.2207 -3.2207 -2.7420 -2.7420 -2.7061 -2.7061 -2.6519 -2.6519 -0.6666 -0.6666 0.2368 0.2368 3.8053 3.8053 3.9734 3.9734 4.1557 4.1557 4.3275 4.3275 4.3969 4.3969 4.5941 4.5941 4.8373 4.8373 4.9022 4.9022 5.0174 5.0174 5.2220 5.2220 6.2975 6.2975 8.5403 8.5403 8.9445 8.9445 9.0363 9.0363 9.5080 9.5080 9.6951 9.6951 10.3511 10.3511 10.6310 10.6310 10.9080 10.9080 11.6756 11.6756 11.7265 11.7265 k = 0.0488 0.0282-0.0000 ( 5463 PWs) bands (ev): -18.1595 -18.1595 -18.1378 -18.1378 -4.9184 -4.9184 -4.7481 -4.7481 -3.2198 -3.2198 -2.7440 -2.7440 -2.7107 -2.7107 -2.6550 -2.6550 -0.6558 -0.6558 0.2319 0.2319 3.8109 3.8109 3.9733 3.9733 4.1611 4.1611 4.3267 4.3267 4.4003 4.4003 4.5920 4.5920 4.8387 4.8387 4.9039 4.9039 5.0133 5.0133 5.2210 5.2210 6.3209 6.3209 8.5316 8.5316 8.8859 8.8859 9.0277 9.0277 9.3830 9.3830 9.6503 9.6503 10.4399 10.4399 10.6373 10.6373 10.9515 10.9515 11.7253 11.7253 11.8015 11.8015 k = 0.0610 0.0352-0.0000 ( 5464 PWs) bands (ev): -18.1591 -18.1591 -18.1375 -18.1375 -4.9182 -4.9182 -4.7501 -4.7501 -3.2186 -3.2186 -2.7474 -2.7474 -2.7157 -2.7157 -2.6590 -2.6590 -0.6420 -0.6420 0.2255 0.2255 3.8180 3.8180 3.9733 3.9733 4.1680 4.1680 4.3258 4.3258 4.4044 4.4044 4.5893 4.5893 4.8403 4.8403 4.9059 4.9059 5.0083 5.0083 5.2198 5.2198 6.3505 6.3505 8.5207 8.5207 8.8132 8.8132 9.0184 9.0184 9.2534 9.2534 9.5960 9.5960 10.5200 10.5200 10.6461 10.6461 11.0090 11.0090 11.7843 11.7843 11.8944 11.8944 k = 0.0732 0.0422-0.0000 ( 5474 PWs) bands (ev): -18.1586 -18.1586 -18.1371 -18.1371 -4.9180 -4.9180 -4.7526 -4.7526 -3.2171 -3.2171 -2.7527 -2.7527 -2.7205 -2.7205 -2.6637 -2.6637 -0.6255 -0.6255 0.2179 0.2179 3.8265 3.8265 3.9733 3.9733 4.1762 4.1762 4.3251 4.3251 4.4091 4.4091 4.5862 4.5862 4.8421 4.8421 4.9082 4.9082 5.0026 5.0026 5.2185 5.2185 6.3857 6.3857 8.5078 8.5078 8.7290 8.7290 9.0064 9.0064 9.1240 9.1240 9.5339 9.5339 10.5850 10.5850 10.6601 10.6601 11.0813 11.0813 11.8515 11.8515 12.0008 12.0008 k = 0.0854 0.0493-0.0000 ( 5476 PWs) bands (ev): -18.1580 -18.1580 -18.1366 -18.1366 -4.9178 -4.9178 -4.7555 -4.7555 -3.2153 -3.2153 -2.7603 -2.7603 -2.7244 -2.7244 -2.6693 -2.6693 -0.6065 -0.6065 0.2091 0.2091 3.8366 3.8366 3.9733 3.9733 4.1856 4.1856 4.3247 4.3247 4.4145 4.4145 4.5826 4.5826 4.8442 4.8442 4.9107 4.9107 4.9967 4.9967 5.2173 5.2173 6.4264 6.4264 8.4929 8.4929 8.6353 8.6353 8.9696 8.9696 9.0182 9.0182 9.4654 9.4654 10.6250 10.6250 10.6886 10.6886 11.1677 11.1677 11.9250 11.9250 12.0504 12.0504 k = 0.0976 0.0563-0.0000 ( 5472 PWs) bands (ev): -18.1574 -18.1574 -18.1360 -18.1360 -4.9176 -4.9176 -4.7587 -4.7587 -3.2132 -3.2132 -2.7703 -2.7703 -2.7273 -2.7273 -2.6755 -2.6755 -0.5850 -0.5850 0.1992 0.1992 3.8480 3.8480 3.9734 3.9734 4.1962 4.1962 4.3247 4.3247 4.4204 4.4204 4.5788 4.5788 4.8464 4.8464 4.9131 4.9131 4.9909 4.9909 5.2161 5.2161 6.4720 6.4720 8.4755 8.4755 8.5340 8.5340 8.8542 8.8542 8.9918 8.9918 9.3921 9.3921 10.6416 10.6416 10.7309 10.7309 11.2660 11.2660 11.9920 11.9920 12.0128 12.0128 k = 0.1098 0.0634-0.0000 ( 5478 PWs) bands (ev): -18.1567 -18.1567 -18.1353 -18.1353 -4.9174 -4.9174 -4.7624 -4.7624 -3.2109 -3.2109 -2.7822 -2.7822 -2.7294 -2.7294 -2.6824 -2.6824 -0.5614 -0.5614 0.1883 0.1883 3.8607 3.8607 3.9736 3.9736 4.2076 4.2076 4.3252 4.3252 4.4267 4.4267 4.5749 4.5749 4.8487 4.8487 4.9153 4.9153 4.9855 4.9855 5.2151 5.2151 6.5222 6.5222 8.4188 8.4188 8.4632 8.4632 8.7302 8.7302 8.9754 8.9754 9.3152 9.3152 10.6490 10.6490 10.7753 10.7753 11.3730 11.3730 11.9412 11.9412 12.0885 12.0885 k = 0.1220 0.0704-0.0000 ( 5484 PWs) bands (ev): -18.1559 -18.1559 -18.1346 -18.1346 -4.9172 -4.9172 -4.7665 -4.7665 -3.2083 -3.2083 -2.7957 -2.7957 -2.7311 -2.7311 -2.6899 -2.6899 -0.5358 -0.5358 0.1765 0.1765 3.8747 3.8747 3.9739 3.9739 4.2198 4.2198 4.3263 4.3263 4.4335 4.4335 4.5710 4.5710 4.8509 4.8509 4.9170 4.9170 4.9811 4.9811 5.2141 5.2141 6.5764 6.5764 8.3040 8.3040 8.4427 8.4427 8.6095 8.6095 8.9583 8.9583 9.2357 9.2357 10.6524 10.6524 10.8189 10.8189 11.4856 11.4856 11.8783 11.8783 12.1738 12.1738 k = 0.1341 0.0774-0.0000 ( 5468 PWs) bands (ev): -18.1550 -18.1550 -18.1339 -18.1339 -4.9170 -4.9170 -4.7709 -4.7709 -3.2055 -3.2055 -2.8103 -2.8103 -2.7324 -2.7324 -2.6979 -2.6979 -0.5084 -0.5084 0.1639 0.1639 3.8898 3.8898 3.9743 3.9743 4.2326 4.2326 4.3283 4.3283 4.4406 4.4406 4.5672 4.5672 4.8530 4.8530 4.9177 4.9177 4.9783 4.9783 5.2135 5.2135 6.6345 6.6345 8.1822 8.1822 8.4227 8.4227 8.4934 8.4934 8.9390 8.9390 9.1550 9.1550 10.6526 10.6526 10.8622 10.8622 11.6008 11.6008 11.8114 11.8114 12.2611 12.2611 k = 0.1463 0.0845-0.0000 ( 5476 PWs) bands (ev): -18.1541 -18.1541 -18.1331 -18.1331 -4.9169 -4.9169 -4.7756 -4.7756 -3.2024 -3.2024 -2.8258 -2.8258 -2.7336 -2.7336 -2.7063 -2.7063 -0.4796 -0.4796 0.1506 0.1506 3.9060 3.9060 3.9750 3.9750 4.2457 4.2457 4.3309 4.3309 4.4480 4.4480 4.5638 4.5638 4.8547 4.8547 4.9174 4.9174 4.9773 4.9773 5.2129 5.2129 6.6958 6.6958 8.0560 8.0560 8.3762 8.3762 8.4076 8.4076 8.9164 8.9164 9.0747 9.0747 10.6498 10.6498 10.9062 10.9062 11.7090 11.7090 11.7488 11.7488 12.3492 12.3492 k = 0.1585 0.0915-0.0000 ( 5472 PWs) bands (ev): -18.1531 -18.1531 -18.1322 -18.1322 -4.9169 -4.9169 -4.7807 -4.7807 -3.1991 -3.1991 -2.8420 -2.8420 -2.7347 -2.7347 -2.7151 -2.7151 -0.4496 -0.4496 0.1369 0.1369 3.9230 3.9230 3.9760 3.9760 4.2589 4.2589 4.3345 4.3345 4.4557 4.4557 4.5609 4.5609 4.8560 4.8560 4.9162 4.9162 4.9783 4.9783 5.2125 5.2125 6.7602 6.7602 7.9271 7.9271 8.2693 8.2693 8.3855 8.3855 8.8878 8.8878 8.9981 8.9981 10.6441 10.6441 10.9516 10.9516 11.6639 11.6639 11.8359 11.8359 12.4373 12.4373 k = 0.1707 0.0986-0.0000 ( 5482 PWs) bands (ev): -18.1521 -18.1521 -18.1313 -18.1313 -4.9169 -4.9169 -4.7860 -4.7860 -3.1955 -3.1955 -2.8587 -2.8587 -2.7361 -2.7361 -2.7238 -2.7238 -0.4186 -0.4186 0.1229 0.1229 3.9407 3.9407 3.9776 3.9776 4.2717 4.2717 4.3391 4.3391 4.4635 4.4635 4.5589 4.5589 4.8565 4.8565 4.9145 4.9145 4.9810 4.9810 5.2123 5.2123 6.8271 6.8271 7.7967 7.7967 8.1634 8.1634 8.3656 8.3656 8.8455 8.8455 8.9333 8.9333 10.6352 10.6352 10.9988 10.9988 11.5897 11.5897 11.9472 11.9472 12.5243 12.5243 k = 0.1829 0.1056-0.0000 ( 5482 PWs) bands (ev): -18.1511 -18.1511 -18.1304 -18.1304 -4.9171 -4.9171 -4.7916 -4.7916 -3.1918 -3.1918 -2.8757 -2.8757 -2.7387 -2.7387 -2.7315 -2.7315 -0.3869 -0.3869 0.1087 0.1087 3.9583 3.9583 3.9805 3.9805 4.2840 4.2840 4.3448 4.3448 4.4714 4.4714 4.5580 4.5580 4.8561 4.8561 4.9129 4.9129 4.9851 4.9851 5.2123 5.2123 6.8963 6.8963 7.6659 7.6659 8.0600 8.0600 8.3462 8.3462 8.7821 8.7821 8.8882 8.8882 10.6233 10.6233 11.0481 11.0481 11.5139 11.5139 12.0541 12.0541 12.6086 12.6086 k = 0.1951 0.1127-0.0000 ( 5486 PWs) bands (ev): -18.1500 -18.1500 -18.1294 -18.1294 -4.9173 -4.9173 -4.7974 -4.7974 -3.1879 -3.1879 -2.8928 -2.8928 -2.7455 -2.7455 -2.7351 -2.7351 -0.3549 -0.3549 0.0945 0.0945 3.9723 3.9723 3.9881 3.9881 4.2952 4.2952 4.3516 4.3516 4.4791 4.4791 4.5587 4.5587 4.8547 4.8547 4.9119 4.9119 4.9902 4.9902 5.2124 5.2124 6.9673 6.9673 7.5356 7.5356 7.9588 7.9588 8.3273 8.3273 8.7059 8.7059 8.8549 8.8549 10.6083 10.6083 11.0996 11.0996 11.4374 11.4374 12.1547 12.1547 12.6856 12.6856 k = 0.2073 0.1197-0.0000 ( 5486 PWs) bands (ev): -18.1488 -18.1488 -18.1284 -18.1284 -4.9176 -4.9176 -4.8033 -4.8033 -3.1838 -3.1838 -2.9099 -2.9099 -2.7545 -2.7545 -2.7365 -2.7365 -0.3230 -0.3230 0.0808 0.0808 3.9790 3.9790 4.0043 4.0043 4.3052 4.3052 4.3596 4.3596 4.4866 4.4866 4.5612 4.5612 4.8523 4.8523 4.9117 4.9117 4.9959 4.9959 5.2127 5.2127 7.0397 7.0397 7.4066 7.4066 7.8596 7.8596 8.3093 8.3093 8.6257 8.6257 8.8251 8.8251 10.5903 10.5903 11.1530 11.1530 11.3610 11.3610 12.2479 12.2479 12.7516 12.7516 k = 0.2195 0.1267-0.0000 ( 5490 PWs) bands (ev): -18.1477 -18.1477 -18.1274 -18.1274 -4.9180 -4.9180 -4.8095 -4.8095 -3.1796 -3.1796 -2.9269 -2.9269 -2.7640 -2.7640 -2.7374 -2.7374 -0.2915 -0.2915 0.0677 0.0677 3.9832 3.9832 4.0241 4.0241 4.3137 4.3137 4.3684 4.3684 4.4938 4.4938 4.5658 4.5658 4.8491 4.8491 4.9124 4.9124 5.0020 5.0020 5.2132 5.2132 7.1131 7.1131 7.2792 7.2792 7.7626 7.7626 8.2921 8.2921 8.5445 8.5445 8.7960 8.7960 10.5695 10.5695 11.2073 11.2073 11.2861 11.2861 12.3332 12.3332 12.8135 12.8135 k = 0.2317 0.1338-0.0000 ( 5482 PWs) bands (ev): -18.1465 -18.1465 -18.1263 -18.1263 -4.9185 -4.9185 -4.8158 -4.8158 -3.1753 -3.1753 -2.9438 -2.9438 -2.7736 -2.7736 -2.7382 -2.7382 -0.2611 -0.2611 0.0559 0.0559 3.9877 3.9877 4.0449 4.0449 4.3209 4.3209 4.3778 4.3778 4.5007 4.5007 4.5728 4.5728 4.8454 4.8454 4.9139 4.9139 5.0085 5.0085 5.2139 5.2139 7.1539 7.1539 7.1870 7.1870 7.6677 7.6677 8.2761 8.2761 8.4638 8.4638 8.7668 8.7668 10.5460 10.5460 11.2034 11.2034 11.2718 11.2718 12.4112 12.4112 12.8751 12.8751 k = 0.2439 0.1408-0.0000 ( 5488 PWs) bands (ev): -18.1453 -18.1453 -18.1253 -18.1253 -4.9192 -4.9192 -4.8221 -4.8221 -3.1710 -3.1710 -2.9603 -2.9603 -2.7830 -2.7830 -2.7389 -2.7389 -0.2325 -0.2325 0.0458 0.0458 3.9928 3.9928 4.0662 4.0662 4.3269 4.3269 4.3873 4.3873 4.5074 4.5074 4.5819 4.5819 4.8413 4.8413 4.9158 4.9158 5.0151 5.0151 5.2146 5.2146 7.0313 7.0313 7.2601 7.2601 7.5757 7.5757 8.2615 8.2615 8.3841 8.3841 8.7372 8.7372 10.5203 10.5203 11.1297 11.1297 11.3298 11.3298 12.4831 12.4831 12.9350 12.9350 k = 0.2561 0.1479-0.0000 ( 5492 PWs) bands (ev): -18.1441 -18.1441 -18.1242 -18.1242 -4.9199 -4.9199 -4.8285 -4.8285 -3.1667 -3.1667 -2.9763 -2.9763 -2.7922 -2.7922 -2.7396 -2.7396 -0.2066 -0.2066 0.0384 0.0384 3.9988 3.9988 4.0876 4.0876 4.3318 4.3318 4.3966 4.3966 4.5143 4.5143 4.5929 4.5929 4.8372 4.8372 4.9182 4.9182 5.0216 5.0216 5.2155 5.2155 6.9115 6.9115 7.3295 7.3295 7.4892 7.4892 8.2484 8.2484 8.3059 8.3059 8.7073 8.7073 10.4926 10.4926 11.0549 11.0549 11.3915 11.3915 12.5507 12.5507 12.9549 12.9549 k = 0.2683 0.1549-0.0000 ( 5492 PWs) bands (ev): -18.1429 -18.1429 -18.1232 -18.1232 -4.9207 -4.9207 -4.8350 -4.8350 -3.1625 -3.1625 -2.9919 -2.9919 -2.8011 -2.8011 -2.7402 -2.7402 -0.1847 -0.1847 0.0349 0.0349 4.0059 4.0059 4.1089 4.1089 4.3359 4.3359 4.4055 4.4055 4.5214 4.5214 4.6057 4.6057 4.8333 4.8333 4.9208 4.9208 5.0282 5.0282 5.2166 5.2166 6.7947 6.7947 7.3600 7.3600 7.4431 7.4431 8.2279 8.2279 8.2387 8.2387 8.6770 8.6770 10.4633 10.4633 10.9805 10.9805 11.4551 11.4551 12.6159 12.6159 12.9407 12.9407 k = 0.2805 0.1619-0.0000 ( 5496 PWs) bands (ev): -18.1417 -18.1417 -18.1221 -18.1221 -4.9217 -4.9217 -4.8413 -4.8413 -3.1584 -3.1584 -3.0069 -3.0069 -2.8096 -2.8096 -2.7407 -2.7407 -0.1682 -0.1682 0.0365 0.0365 4.0143 4.0143 4.1300 4.1300 4.3393 4.3393 4.4138 4.4138 4.5290 4.5290 4.6196 4.6196 4.8297 4.8297 4.9236 4.9236 5.0345 5.0345 5.2177 5.2177 6.6812 6.6812 7.2932 7.2932 7.4950 7.4950 8.1543 8.1543 8.2289 8.2289 8.6466 8.6466 10.4329 10.4329 10.9067 10.9067 11.5202 11.5202 12.6805 12.6805 12.9271 12.9271 k = 0.2927 0.1690-0.0000 ( 5486 PWs) bands (ev): -18.1406 -18.1406 -18.1211 -18.1211 -4.9227 -4.9227 -4.8477 -4.8477 -3.1546 -3.1546 -3.0212 -3.0212 -2.8177 -2.8177 -2.7412 -2.7412 -0.1578 -0.1578 0.0439 0.0439 4.0240 4.0240 4.1505 4.1505 4.3424 4.3424 4.4215 4.4215 4.5371 4.5371 4.6346 4.6346 4.8266 4.8266 4.9266 4.9266 5.0407 5.0407 5.2190 5.2190 6.5713 6.5713 7.2115 7.2115 7.5622 7.5622 8.0820 8.0820 8.2230 8.2230 8.6162 8.6162 10.4018 10.4018 10.8337 10.8337 11.5866 11.5866 12.7460 12.7460 12.9164 12.9164 k = 0.3049 0.1760-0.0000 ( 5494 PWs) bands (ev): -18.1394 -18.1394 -18.1201 -18.1201 -4.9237 -4.9237 -4.8539 -4.8539 -3.1510 -3.1510 -3.0348 -3.0348 -2.8253 -2.8253 -2.7417 -2.7417 -0.1535 -0.1535 0.0569 0.0569 4.0349 4.0349 4.1700 4.1700 4.3454 4.3454 4.4283 4.4283 4.5455 4.5455 4.6502 4.6502 4.8241 4.8241 4.9295 4.9295 5.0465 5.0465 5.2203 5.2203 6.4651 6.4651 7.1301 7.1301 7.6284 7.6284 8.0120 8.0120 8.2206 8.2206 8.5860 8.5860 10.3704 10.3704 10.7615 10.7615 11.6540 11.6540 12.8133 12.8133 12.9097 12.9097 k = 0.3171 0.1831-0.0000 ( 5498 PWs) bands (ev): -18.1383 -18.1383 -18.1191 -18.1191 -4.9249 -4.9249 -4.8599 -4.8599 -3.1478 -3.1478 -3.0475 -3.0475 -2.8324 -2.8324 -2.7421 -2.7421 -0.1541 -0.1541 0.0743 0.0743 4.0473 4.0473 4.1883 4.1883 4.3488 4.3488 4.4344 4.4344 4.5542 4.5542 4.6662 4.6662 4.8224 4.8224 4.9325 4.9325 5.0519 5.0519 5.2217 5.2217 6.3628 6.3628 7.0510 7.0510 7.6909 7.6909 7.9447 7.9447 8.2227 8.2227 8.5563 8.5563 10.3391 10.3391 10.6901 10.6901 11.7222 11.7222 12.8807 12.8807 12.9100 12.9100 k = 0.3293 0.1901-0.0000 ( 5492 PWs) bands (ev): -18.1373 -18.1373 -18.1181 -18.1181 -4.9261 -4.9261 -4.8658 -4.8658 -3.1451 -3.1451 -3.0593 -3.0593 -2.8388 -2.8388 -2.7425 -2.7425 -0.1582 -0.1582 0.0946 0.0946 4.0610 4.0610 4.2049 4.2049 4.3532 4.3532 4.4396 4.4396 4.5631 4.5631 4.6824 4.6824 4.8215 4.8215 4.9354 4.9354 5.0568 5.0568 5.2233 5.2233 6.2646 6.2646 6.9746 6.9746 7.7480 7.7480 7.8803 7.8803 8.2305 8.2305 8.5272 8.5272 10.3083 10.3083 10.6196 10.6196 11.7910 11.7910 12.9045 12.9045 12.9618 12.9618 k = 0.3415 0.1971-0.0000 ( 5492 PWs) bands (ev): -18.1362 -18.1362 -18.1172 -18.1172 -4.9273 -4.9273 -4.8715 -4.8715 -3.1430 -3.1430 -3.0700 -3.0700 -2.8447 -2.8447 -2.7429 -2.7429 -0.1644 -0.1644 0.1164 0.1164 4.0760 4.0760 4.2194 4.2194 4.3588 4.3588 4.4438 4.4438 4.5718 4.5718 4.6985 4.6985 4.8215 4.8215 4.9384 4.9384 5.0611 5.0611 5.2251 5.2251 6.1706 6.1706 6.9013 6.9013 7.7976 7.7976 7.8192 7.8192 8.2453 8.2453 8.4990 8.4990 10.2783 10.2783 10.5503 10.5503 11.8601 11.8601 12.9114 12.9114 13.0387 13.0387 k = 0.3537 0.2042-0.0000 ( 5492 PWs) bands (ev): -18.1353 -18.1353 -18.1164 -18.1164 -4.9285 -4.9285 -4.8769 -4.8769 -3.1417 -3.1417 -3.0795 -3.0795 -2.8499 -2.8499 -2.7432 -2.7432 -0.1719 -0.1719 0.1386 0.1386 4.0923 4.0923 4.2316 4.2316 4.3661 4.3661 4.4469 4.4469 4.5803 4.5803 4.7143 4.7143 4.8224 4.8224 4.9413 4.9413 5.0647 5.0647 5.2271 5.2271 6.0811 6.0811 6.8317 6.8317 7.7608 7.7608 7.8393 7.8393 8.2679 8.2679 8.4718 8.4718 10.2495 10.2495 10.4821 10.4821 11.9294 11.9294 12.9218 12.9218 13.1201 13.1201 k = 0.3659 0.2112-0.0000 ( 5494 PWs) bands (ev): -18.1343 -18.1343 -18.1155 -18.1155 -4.9297 -4.9297 -4.8820 -4.8820 -3.1412 -3.1412 -3.0876 -3.0876 -2.8545 -2.8545 -2.7435 -2.7435 -0.1799 -0.1799 0.1605 0.1605 4.1096 4.1096 4.2413 4.2413 4.3752 4.3752 4.4488 4.4488 4.5884 4.5884 4.7297 4.7297 4.8244 4.8244 4.9441 4.9441 5.0674 5.0674 5.2296 5.2296 5.9961 5.9961 6.7659 6.7659 7.7062 7.7062 7.8715 7.8715 8.2986 8.2986 8.4459 8.4459 10.2219 10.2219 10.4155 10.4155 11.9985 11.9985 12.9364 12.9364 13.2046 13.2046 k = 0.3780 0.2183-0.0000 ( 5502 PWs) bands (ev): -18.1335 -18.1335 -18.1148 -18.1148 -4.9309 -4.9309 -4.8868 -4.8868 -3.1419 -3.1419 -3.0941 -3.0941 -2.8585 -2.8585 -2.7438 -2.7438 -0.1879 -0.1879 0.1815 0.1815 4.1277 4.1277 4.2491 4.2491 4.3858 4.3858 4.4494 4.4494 4.5957 4.5957 4.7447 4.7447 4.8273 4.8273 4.9470 4.9470 5.0689 5.0689 5.2326 5.2326 5.9160 5.9160 6.7043 6.7043 7.6554 7.6554 7.8951 7.8951 8.3364 8.3364 8.4216 8.4216 10.1959 10.1959 10.3508 10.3508 12.0672 12.0672 12.9547 12.9547 13.2899 13.2899 k = 0.3902 0.2253-0.0000 ( 5508 PWs) bands (ev): -18.1327 -18.1327 -18.1141 -18.1141 -4.9321 -4.9321 -4.8912 -4.8912 -3.1436 -3.1436 -3.0991 -3.0991 -2.8619 -2.8619 -2.7440 -2.7440 -0.1958 -0.1958 0.2014 0.2014 4.1462 4.1462 4.2553 4.2553 4.3976 4.3976 4.4486 4.4486 4.6022 4.6022 4.7592 4.7592 4.8310 4.8310 4.9498 4.9498 5.0691 5.0691 5.2365 5.2365 5.8408 5.8408 6.6473 6.6473 7.6086 7.6086 7.9115 7.9115 8.3784 8.3784 8.4000 8.4000 10.1714 10.1714 10.2886 10.2886 12.1353 12.1353 12.9763 12.9763 13.3640 13.3640 k = 0.4024 0.2323-0.0000 ( 5506 PWs) bands (ev): -18.1320 -18.1320 -18.1134 -18.1134 -4.9332 -4.9332 -4.8953 -4.8953 -3.1462 -3.1462 -3.1025 -3.1025 -2.8648 -2.8648 -2.7442 -2.7442 -0.2033 -0.2033 0.2197 0.2197 4.1644 4.1644 4.2611 4.2611 4.4100 4.4100 4.4464 4.4464 4.6077 4.6077 4.7731 4.7731 4.8355 4.8355 4.9527 4.9527 5.0677 5.0677 5.2415 5.2415 5.7708 5.7708 6.5952 6.5952 7.5659 7.5659 7.9224 7.9224 8.3769 8.3769 8.4268 8.4268 10.1482 10.1482 10.2299 10.2299 12.2025 12.2025 13.0004 13.0004 13.3712 13.3712 k = 0.4146 0.2394-0.0000 ( 5510 PWs) bands (ev): -18.1313 -18.1313 -18.1129 -18.1129 -4.9342 -4.9342 -4.8989 -4.8989 -3.1494 -3.1494 -3.1048 -3.1048 -2.8671 -2.8671 -2.7444 -2.7444 -0.2101 -0.2101 0.2363 0.2363 4.1816 4.1816 4.2674 4.2674 4.4225 4.4225 4.4427 4.4427 4.6120 4.6120 4.7864 4.7864 4.8405 4.8405 4.9557 4.9557 5.0647 5.0647 5.2478 5.2478 5.7062 5.7062 6.5483 6.5483 7.5277 7.5277 7.9294 7.9294 8.3584 8.3584 8.4735 8.4735 10.1248 10.1248 10.1769 10.1769 12.2682 12.2682 13.0261 13.0261 13.3305 13.3305 k = 0.4268 0.2464-0.0000 ( 5506 PWs) bands (ev): -18.1307 -18.1307 -18.1123 -18.1123 -4.9351 -4.9351 -4.9021 -4.9021 -3.1529 -3.1529 -3.1063 -3.1063 -2.8690 -2.8690 -2.7446 -2.7446 -0.2162 -0.2162 0.2510 0.2510 4.1965 4.1965 4.2755 4.2755 4.4338 4.4338 4.4381 4.4381 4.6152 4.6152 4.7989 4.7989 4.8460 4.8460 4.9587 4.9587 5.0598 5.0598 5.2557 5.2557 5.6471 5.6471 6.5070 6.5070 7.4940 7.4940 7.9337 7.9337 8.3418 8.3418 8.5193 8.5193 10.0959 10.0959 10.1359 10.1359 12.3320 12.3320 13.0522 13.0522 13.2819 13.2819 k = 0.4390 0.2535-0.0000 ( 5510 PWs) bands (ev): -18.1302 -18.1302 -18.1119 -18.1119 -4.9359 -4.9359 -4.9048 -4.9048 -3.1562 -3.1562 -3.1072 -3.1072 -2.8704 -2.8704 -2.7447 -2.7447 -0.2215 -0.2215 0.2636 0.2636 4.2081 4.2081 4.2866 4.2866 4.4298 4.4298 4.4462 4.4462 4.6172 4.6172 4.8102 4.8102 4.8519 4.8519 4.9618 4.9618 5.0534 5.0534 5.2653 5.2653 5.5939 5.5939 6.4715 6.4715 7.4651 7.4651 7.9362 7.9362 8.3274 8.3274 8.5622 8.5622 10.0580 10.0580 10.1115 10.1115 12.3931 12.3931 13.0772 13.0772 13.2324 13.2324 k = 0.4512 0.2605-0.0000 ( 5510 PWs) bands (ev): -18.1298 -18.1298 -18.1116 -18.1116 -4.9366 -4.9366 -4.9071 -4.9071 -3.1592 -3.1592 -3.1078 -3.1078 -2.8715 -2.8715 -2.7448 -2.7448 -0.2259 -0.2259 0.2741 0.2741 4.2160 4.2160 4.3007 4.3007 4.4211 4.4211 4.4561 4.4561 4.6182 4.6182 4.8198 4.8198 4.8581 4.8581 4.9650 4.9650 5.0456 5.0456 5.2765 5.2765 5.5468 5.5468 6.4421 6.4421 7.4413 7.4413 7.9375 7.9375 8.3155 8.3155 8.6003 8.6003 10.0196 10.0196 10.0962 10.0962 12.4500 12.4500 13.0991 13.0991 13.1853 13.1853 k = 0.4634 0.2676-0.0000 ( 5514 PWs) bands (ev): -18.1295 -18.1295 -18.1113 -18.1113 -4.9372 -4.9372 -4.9088 -4.9088 -3.1616 -3.1616 -3.1081 -3.1081 -2.8724 -2.8724 -2.7449 -2.7449 -0.2294 -0.2294 0.2824 0.2824 4.2209 4.2209 4.3170 4.3170 4.4105 4.4105 4.4645 4.4645 4.6186 4.6186 4.8272 4.8272 4.8645 4.8645 4.9684 4.9684 5.0372 5.0372 5.2890 5.2890 5.5063 5.5063 6.4191 6.4191 7.4225 7.4225 7.9382 7.9382 8.3061 8.3061 8.6321 8.6321 9.9868 9.9868 10.0854 10.0854 12.5008 12.5008 13.1116 13.1116 13.1482 13.1482 k = 0.4756 0.2746-0.0000 ( 5514 PWs) bands (ev): -18.1293 -18.1293 -18.1111 -18.1111 -4.9376 -4.9376 -4.9101 -4.9101 -3.1634 -3.1634 -3.1083 -3.1083 -2.8729 -2.8729 -2.7449 -2.7449 -0.2319 -0.2319 0.2883 0.2883 4.2237 4.2237 4.3343 4.3343 4.3982 4.3982 4.4709 4.4709 4.6185 4.6185 4.8323 4.8323 4.8703 4.8703 4.9717 4.9717 5.0291 5.0291 5.3017 5.3017 5.4736 5.4736 6.4024 6.4024 7.4090 7.4090 7.9385 7.9385 8.2994 8.2994 8.6561 8.6561 9.9619 9.9619 10.0780 10.0780 12.5424 12.5424 13.0935 13.0935 13.1443 13.1443 k = 0.4878 0.2816-0.0000 ( 5518 PWs) bands (ev): -18.1292 -18.1292 -18.1109 -18.1109 -4.9378 -4.9378 -4.9109 -4.9109 -3.1645 -3.1645 -3.1085 -3.1085 -2.8732 -2.8732 -2.7450 -2.7450 -0.2334 -0.2334 0.2919 0.2919 4.2251 4.2251 4.3515 4.3515 4.3843 4.3843 4.4748 4.4748 4.6183 4.6183 4.8353 4.8353 4.8744 4.8744 4.9745 4.9745 5.0229 5.0229 5.3122 5.3122 5.4511 5.4511 6.3924 6.3924 7.4009 7.4009 7.9386 7.9386 8.2953 8.2953 8.6711 8.6711 9.9463 9.9463 10.0737 10.0737 12.5704 12.5704 13.0705 13.0705 13.1514 13.1514 k = 0.5000 0.2887-0.0000 ( 5514 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9379 -4.9379 -4.9111 -4.9111 -3.1648 -3.1648 -3.1085 -3.1085 -2.8733 -2.8733 -2.7450 -2.7450 -0.2339 -0.2339 0.2931 0.2931 4.2255 4.2255 4.3653 4.3653 4.3717 4.3717 4.4762 4.4762 4.6182 4.6182 4.8362 4.8362 4.8759 4.8759 4.9756 4.9756 5.0206 5.0206 5.3166 5.3166 5.4427 5.4427 6.3891 6.3891 7.3982 7.3982 7.9387 7.9387 8.2939 8.2939 8.6762 8.6762 9.9411 9.9411 10.0722 10.0722 12.5804 12.5804 13.0618 13.0618 13.1542 13.1542 k = 0.5000 0.2887-0.0000 ( 5514 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9379 -4.9379 -4.9111 -4.9111 -3.1648 -3.1648 -3.1085 -3.1085 -2.8733 -2.8733 -2.7450 -2.7450 -0.2339 -0.2339 0.2931 0.2931 4.2255 4.2255 4.3653 4.3653 4.3717 4.3717 4.4762 4.4762 4.6182 4.6182 4.8362 4.8362 4.8759 4.8759 4.9756 4.9756 5.0206 5.0206 5.3166 5.3166 5.4427 5.4427 6.3891 6.3891 7.3982 7.3982 7.9387 7.9387 8.2939 8.2939 8.6762 8.6762 9.9411 9.9411 10.0722 10.0722 12.5804 12.5804 13.0618 13.0618 13.1542 13.1542 k = 0.4931 0.3007-0.0000 ( 5510 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9379 -4.9379 -4.9111 -4.9111 -3.1647 -3.1647 -3.1084 -3.1084 -2.8737 -2.8737 -2.7454 -2.7454 -0.2331 -0.2331 0.2927 0.2927 4.2255 4.2255 4.3650 4.3650 4.3702 4.3702 4.4787 4.4787 4.6185 4.6185 4.8360 4.8360 4.8761 4.8761 4.9750 4.9750 5.0216 5.0216 5.3171 5.3171 5.4433 5.4433 6.3861 6.3861 7.4004 7.4004 7.9397 7.9397 8.2834 8.2834 8.6753 8.6753 9.9438 9.9438 10.0817 10.0817 12.5800 12.5800 13.0661 13.0661 13.1261 13.1261 k = 0.4861 0.3127-0.0000 ( 5516 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9379 -4.9379 -4.9112 -4.9112 -3.1645 -3.1645 -3.1079 -3.1079 -2.8747 -2.8747 -2.7466 -2.7466 -0.2308 -0.2308 0.2914 0.2914 4.2255 4.2255 4.3642 4.3642 4.3661 4.3661 4.4858 4.4858 4.6196 4.6196 4.8354 4.8354 4.8766 4.8766 4.9732 4.9732 5.0246 5.0246 5.3187 5.3187 5.4451 5.4451 6.3775 6.3775 7.4067 7.4067 7.9429 7.9429 8.2526 8.2526 8.6726 8.6726 9.9518 9.9518 10.1097 10.1097 12.5786 12.5786 13.0561 13.0561 13.0789 13.0789 k = 0.4792 0.3248-0.0000 ( 5512 PWs) bands (ev): -18.1290 -18.1290 -18.1108 -18.1108 -4.9379 -4.9379 -4.9112 -4.9112 -3.1641 -3.1641 -3.1071 -3.1071 -2.8765 -2.8765 -2.7487 -2.7487 -0.2268 -0.2268 0.2893 0.2893 4.2254 4.2254 4.3602 4.3602 4.3630 4.3630 4.4964 4.4964 4.6215 4.6215 4.8346 4.8346 4.8774 4.8774 4.9705 4.9705 5.0293 5.0293 5.3213 5.3213 5.4481 5.4481 6.3635 6.3635 7.4169 7.4169 7.9481 7.9481 8.2036 8.2036 8.6682 8.6682 9.9650 9.9650 10.1543 10.1543 12.5760 12.5760 12.9648 12.9648 13.1001 13.1001 k = 0.4722 0.3368-0.0000 ( 5502 PWs) bands (ev): -18.1289 -18.1289 -18.1107 -18.1107 -4.9379 -4.9379 -4.9113 -4.9113 -3.1635 -3.1635 -3.1060 -3.1060 -2.8789 -2.8789 -2.7515 -2.7515 -0.2214 -0.2214 0.2863 0.2863 4.2254 4.2254 4.3536 4.3536 4.3615 4.3615 4.5095 4.5095 4.6241 4.6241 4.8335 4.8335 4.8781 4.8781 4.9671 4.9671 5.0357 5.0357 5.3250 5.3250 5.4523 5.4523 6.3448 6.3448 7.4302 7.4302 7.9554 7.9554 8.1389 8.1389 8.6621 8.6621 9.9831 9.9831 10.2131 10.2131 12.5714 12.5714 12.8642 12.8642 13.1294 13.1294 k = 0.4653 0.3488-0.0000 ( 5512 PWs) bands (ev): -18.1288 -18.1288 -18.1106 -18.1106 -4.9380 -4.9380 -4.9115 -4.9115 -3.1627 -3.1627 -3.1047 -3.1047 -2.8820 -2.8820 -2.7550 -2.7550 -0.2145 -0.2145 0.2824 0.2824 4.2253 4.2253 4.3466 4.3466 4.3597 4.3597 4.5242 4.5242 4.6274 4.6274 4.8321 4.8321 4.8787 4.8787 4.9632 4.9632 5.0437 5.0437 5.3297 5.3297 5.4578 5.4578 6.3220 6.3220 7.4460 7.4460 7.9647 7.9647 8.0616 8.0616 8.6544 8.6544 10.0061 10.0061 10.2833 10.2833 12.5638 12.5638 12.7603 12.7603 13.1665 13.1665 k = 0.4583 0.3608-0.0000 ( 5506 PWs) bands (ev): -18.1286 -18.1286 -18.1105 -18.1105 -4.9380 -4.9380 -4.9116 -4.9116 -3.1619 -3.1619 -3.1030 -3.1030 -2.8857 -2.8857 -2.7591 -2.7591 -0.2061 -0.2061 0.2778 0.2778 4.2252 4.2252 4.3397 4.3397 4.3580 4.3580 4.5397 4.5397 4.6316 4.6316 4.8308 4.8308 4.8788 4.8788 4.9591 4.9591 5.0534 5.0534 5.3356 5.3356 5.4646 5.4646 6.2961 6.2961 7.4634 7.4634 7.9727 7.9727 7.9775 7.9775 8.6452 8.6452 10.0338 10.0338 10.3625 10.3625 12.5492 12.5492 12.6592 12.6592 13.2106 13.2106 k = 0.4514 0.3729-0.0000 ( 5498 PWs) bands (ev): -18.1284 -18.1284 -18.1103 -18.1103 -4.9381 -4.9381 -4.9118 -4.9118 -3.1610 -3.1610 -3.1010 -3.1010 -2.8900 -2.8900 -2.7637 -2.7637 -0.1965 -0.1965 0.2723 0.2723 4.2252 4.2252 4.3330 4.3330 4.3565 4.3565 4.5555 4.5555 4.6365 4.6365 4.8294 4.8294 4.8782 4.8782 4.9547 4.9547 5.0646 5.0646 5.3426 5.3426 5.4729 5.4729 6.2677 6.2677 7.4817 7.4817 7.8794 7.8794 7.9892 7.9892 8.6345 8.6345 10.0661 10.0661 10.4486 10.4486 12.5062 12.5062 12.5832 12.5832 13.2611 13.2611 k = 0.4444 0.3849-0.0000 ( 5484 PWs) bands (ev): -18.1282 -18.1282 -18.1101 -18.1101 -4.9382 -4.9382 -4.9120 -4.9120 -3.1600 -3.1600 -3.0987 -3.0987 -2.8948 -2.8948 -2.7689 -2.7689 -0.1855 -0.1855 0.2660 0.2660 4.2253 4.2253 4.3265 4.3265 4.3553 4.3553 4.5712 4.5712 4.6424 4.6424 4.8280 4.8280 4.8769 4.8769 4.9503 4.9503 5.0773 5.0773 5.3507 5.3507 5.4826 5.4826 6.2375 6.2375 7.4997 7.4997 7.7794 7.7794 8.0042 8.0042 8.6225 8.6225 10.1028 10.1028 10.5397 10.5397 12.4162 12.4162 12.5514 12.5514 13.3168 13.3168 k = 0.4375 0.3969-0.0000 ( 5488 PWs) bands (ev): -18.1280 -18.1280 -18.1099 -18.1099 -4.9383 -4.9383 -4.9123 -4.9123 -3.1590 -3.1590 -3.0960 -3.0960 -2.9001 -2.9001 -2.7743 -2.7743 -0.1734 -0.1734 0.2588 0.2588 4.2256 4.2256 4.3201 4.3201 4.3544 4.3544 4.5862 4.5862 4.6492 4.6492 4.8266 4.8266 4.8747 4.8747 4.9458 4.9458 5.0915 5.0915 5.3599 5.3599 5.4940 5.4940 6.2064 6.2064 7.5156 7.5156 7.6771 7.6771 8.0209 8.0209 8.6093 8.6093 10.1437 10.1437 10.6345 10.6345 12.3138 12.3138 12.5293 12.5293 13.3758 13.3758 k = 0.4306 0.4090-0.0000 ( 5494 PWs) bands (ev): -18.1278 -18.1278 -18.1097 -18.1097 -4.9384 -4.9384 -4.9126 -4.9126 -3.1580 -3.1580 -3.0931 -3.0931 -2.9057 -2.9057 -2.7801 -2.7801 -0.1603 -0.1603 0.2509 0.2509 4.2261 4.2261 4.3140 4.3140 4.3540 4.3540 4.6001 4.6001 4.6571 4.6571 4.8253 4.8253 4.8716 4.8716 4.9413 4.9413 5.1069 5.1069 5.3702 5.3702 5.5073 5.5073 6.1748 6.1748 7.5176 7.5176 7.5853 7.5853 8.0392 8.0392 8.5950 8.5950 10.1886 10.1886 10.7321 10.7321 12.2102 12.2102 12.5058 12.5058 13.4345 13.4345 k = 0.4236 0.4210-0.0000 ( 5490 PWs) bands (ev): -18.1276 -18.1276 -18.1095 -18.1095 -4.9385 -4.9385 -4.9129 -4.9129 -3.1571 -3.1571 -3.0900 -3.0900 -2.9117 -2.9117 -2.7859 -2.7859 -0.1462 -0.1462 0.2423 0.2423 4.2270 4.2270 4.3081 4.3081 4.3538 4.3538 4.6128 4.6128 4.6660 4.6660 4.8240 4.8240 4.8677 4.8677 4.9367 4.9367 5.1233 5.1233 5.3815 5.3815 5.5228 5.5228 6.1433 6.1433 7.4440 7.4440 7.5661 7.5661 8.0590 8.0590 8.5798 8.5798 10.2373 10.2373 10.8316 10.8316 12.1078 12.1078 12.4791 12.4791 13.4842 13.4842 k = 0.4167 0.4330-0.0000 ( 5498 PWs) bands (ev): -18.1273 -18.1273 -18.1093 -18.1093 -4.9386 -4.9386 -4.9133 -4.9133 -3.1562 -3.1562 -3.0865 -3.0865 -2.9180 -2.9180 -2.7918 -2.7918 -0.1313 -0.1313 0.2329 0.2329 4.2282 4.2282 4.3025 4.3025 4.3539 4.3539 4.6241 4.6241 4.6758 4.6758 4.8227 4.8227 4.8631 4.8631 4.9321 4.9321 5.1402 5.1402 5.3937 5.3937 5.5408 5.5408 6.1125 6.1125 7.3383 7.3383 7.5768 7.5768 8.0801 8.0801 8.5637 8.5637 10.2894 10.2894 10.9325 10.9325 12.0072 12.0072 12.4488 12.4488 13.5059 13.5059 k = 0.4097 0.4450-0.0000 ( 5485 PWs) bands (ev): -18.1271 -18.1271 -18.1091 -18.1091 -4.9388 -4.9388 -4.9137 -4.9137 -3.1554 -3.1554 -3.0828 -3.0828 -2.9244 -2.9244 -2.7976 -2.7976 -0.1157 -0.1157 0.2228 0.2228 4.2298 4.2298 4.2973 4.2973 4.3541 4.3541 4.6344 4.6344 4.6862 4.6862 4.8215 4.8215 4.8580 4.8580 4.9275 4.9275 5.1573 5.1573 5.4065 5.4065 5.5617 5.5617 6.0828 6.0828 7.2296 7.2296 7.5889 7.5889 8.1023 8.1023 8.5469 8.5469 10.3446 10.3446 11.0342 11.0342 11.9089 11.9089 12.4153 12.4153 13.4852 13.4852 k = 0.4028 0.4571-0.0000 ( 5487 PWs) bands (ev): -18.1268 -18.1268 -18.1089 -18.1089 -4.9389 -4.9389 -4.9141 -4.9141 -3.1547 -3.1547 -3.0790 -3.0790 -2.9310 -2.9310 -2.8032 -2.8032 -0.0996 -0.0996 0.2121 0.2121 4.2318 4.2318 4.2926 4.2926 4.3544 4.3544 4.6437 4.6437 4.6967 4.6967 4.8202 4.8202 4.8526 4.8526 4.9227 4.9227 5.1740 5.1740 5.4195 5.4195 5.5859 5.5859 6.0545 6.0545 7.1210 7.1210 7.5999 7.5999 8.1255 8.1255 8.5296 8.5296 10.4025 10.4025 11.1363 11.1363 11.8133 11.8133 12.3789 12.3789 13.4375 13.4375 k = 0.3958 0.4691-0.0000 ( 5491 PWs) bands (ev): -18.1266 -18.1266 -18.1086 -18.1086 -4.9391 -4.9391 -4.9145 -4.9145 -3.1542 -3.1542 -3.0749 -3.0749 -2.9376 -2.9376 -2.8085 -2.8085 -0.0831 -0.0831 0.2009 0.2009 4.2342 4.2342 4.2884 4.2884 4.3545 4.3545 4.6523 4.6523 4.7070 4.7070 4.8189 4.8189 4.8472 4.8472 4.9178 4.9178 5.1900 5.1900 5.4326 5.4326 5.6137 5.6137 6.0281 6.0281 7.0137 7.0137 7.6094 7.6094 8.1494 8.1494 8.5119 8.5119 10.4627 10.4627 11.2382 11.2382 11.7207 11.7207 12.3404 12.3404 13.3789 13.3789 k = 0.3889 0.4811-0.0000 ( 5487 PWs) bands (ev): -18.1263 -18.1263 -18.1084 -18.1084 -4.9393 -4.9393 -4.9150 -4.9150 -3.1538 -3.1538 -3.0707 -3.0707 -2.9441 -2.9441 -2.8135 -2.8135 -0.0664 -0.0664 0.1891 0.1891 4.2370 4.2370 4.2848 4.2848 4.3544 4.3544 4.6604 4.6604 4.7169 4.7169 4.8173 4.8173 4.8422 4.8422 4.9126 4.9126 5.2049 5.2049 5.4453 5.4453 5.6450 5.6450 6.0039 6.0039 6.9086 6.9086 7.6170 7.6170 8.1739 8.1739 8.4939 8.4939 10.5248 10.5248 11.3392 11.3392 11.6315 11.6315 12.3003 12.3003 13.3163 13.3163 k = 0.3819 0.4932-0.0000 ( 5477 PWs) bands (ev): -18.1261 -18.1261 -18.1082 -18.1082 -4.9394 -4.9394 -4.9154 -4.9154 -3.1536 -3.1536 -3.0665 -3.0665 -2.9505 -2.9505 -2.8180 -2.8180 -0.0496 -0.0496 0.1770 0.1770 4.2399 4.2399 4.2821 4.2821 4.3539 4.3539 4.6681 4.6681 4.7260 4.7260 4.8153 4.8153 4.8381 4.8381 4.9073 4.9073 5.2185 5.2185 5.4574 5.4574 5.6796 5.6796 5.9825 5.9825 6.8066 6.8066 7.6230 7.6230 8.1985 8.1985 8.4757 8.4757 10.5882 10.5882 11.4364 11.4364 11.5480 11.5480 12.2592 12.2592 13.2531 13.2531 k = 0.3750 0.5052-0.0000 ( 5481 PWs) bands (ev): -18.1259 -18.1259 -18.1080 -18.1080 -4.9396 -4.9396 -4.9159 -4.9159 -3.1535 -3.1535 -3.0624 -3.0624 -2.9565 -2.9565 -2.8220 -2.8220 -0.0330 -0.0330 0.1647 0.1647 4.2428 4.2428 4.2803 4.2803 4.3530 4.3530 4.6752 4.6752 4.7343 4.7343 4.8126 4.8126 4.8352 4.8352 4.9018 4.9018 5.2306 5.2306 5.4686 5.4686 5.7167 5.7167 5.9642 5.9642 6.7087 6.7087 7.6273 7.6273 8.2231 8.2231 8.4576 8.4576 10.6524 10.6524 11.4531 11.4531 11.5463 11.5463 12.2179 12.2179 13.1913 13.1913 k = 0.3681 0.5172-0.0000 ( 5491 PWs) bands (ev): -18.1257 -18.1257 -18.1079 -18.1079 -4.9398 -4.9398 -4.9163 -4.9163 -3.1535 -3.1535 -3.0584 -3.0584 -2.9622 -2.9622 -2.8254 -2.8254 -0.0169 -0.0169 0.1524 0.1524 4.2455 4.2455 4.2796 4.2796 4.3517 4.3517 4.6817 4.6817 4.7417 4.7417 4.8094 4.8094 4.8338 4.8338 4.8962 4.8962 5.2410 5.2410 5.4788 5.4788 5.7548 5.7548 5.9500 5.9500 6.6161 6.6161 7.6303 7.6303 8.2473 8.2473 8.4395 8.4395 10.7170 10.7170 11.3775 11.3775 11.6372 11.6372 12.1769 12.1769 13.1327 13.1327 k = 0.3611 0.5292-0.0000 ( 5487 PWs) bands (ev): -18.1255 -18.1255 -18.1077 -18.1077 -4.9399 -4.9399 -4.9167 -4.9167 -3.1537 -3.1537 -3.0547 -3.0547 -2.9672 -2.9672 -2.8282 -2.8282 -0.0017 -0.0017 0.1403 0.1403 4.2476 4.2476 4.2802 4.2802 4.3499 4.3499 4.6875 4.6875 4.7480 4.7480 4.8062 4.8062 4.8338 4.8338 4.8905 4.8905 5.2497 5.2497 5.4878 5.4878 5.7914 5.7914 5.9413 5.9413 6.5306 6.5306 7.6320 7.6320 8.2708 8.2708 8.4217 8.4217 10.7812 10.7812 11.3023 11.3023 11.7264 11.7264 12.1366 12.1366 13.0793 13.0793 k = 0.3542 0.5413-0.0000 ( 5483 PWs) bands (ev): -18.1254 -18.1254 -18.1076 -18.1076 -4.9400 -4.9400 -4.9170 -4.9170 -3.1538 -3.1538 -3.0514 -3.0514 -2.9715 -2.9715 -2.8304 -2.8304 0.0122 0.0122 0.1290 0.1290 4.2492 4.2492 4.2817 4.2817 4.3478 4.3478 4.6922 4.6922 4.7531 4.7531 4.8032 4.8032 4.8350 4.8350 4.8849 4.8849 5.2566 5.2566 5.4954 5.4954 5.8220 5.8220 5.9402 5.9402 6.4549 6.4549 7.6328 7.6328 8.2931 8.2931 8.4044 8.4044 10.8444 10.8444 11.2307 11.2307 11.8087 11.8087 12.0976 12.0976 13.0333 13.0333 k = 0.3472 0.5533-0.0000 ( 5475 PWs) bands (ev): -18.1253 -18.1253 -18.1075 -18.1075 -4.9401 -4.9401 -4.9173 -4.9173 -3.1540 -3.1540 -3.0489 -3.0489 -2.9747 -2.9747 -2.8319 -2.8319 0.0239 0.0239 0.1192 0.1192 4.2501 4.2501 4.2839 4.2839 4.3457 4.3457 4.6958 4.6958 4.7568 4.7568 4.8010 4.8010 4.8369 4.8369 4.8798 4.8798 5.2616 5.2616 5.5015 5.5015 5.8419 5.8419 5.9480 5.9480 6.3933 6.3933 7.6330 7.6330 8.3136 8.3136 8.3877 8.3877 10.9056 10.9056 11.1637 11.1637 11.8805 11.8805 12.0606 12.0606 12.9973 12.9973 k = 0.3403 0.5653-0.0000 ( 5471 PWs) bands (ev): -18.1252 -18.1252 -18.1075 -18.1075 -4.9402 -4.9402 -4.9174 -4.9174 -3.1542 -3.1542 -3.0473 -3.0473 -2.9768 -2.9768 -2.8329 -2.8329 0.0320 0.0320 0.1123 0.1123 4.2506 4.2506 4.2859 4.2859 4.3440 4.3440 4.6980 4.6980 4.7590 4.7590 4.7998 4.7998 4.8390 4.8390 4.8758 4.8758 5.2646 5.2646 5.5055 5.5055 5.8508 5.8508 5.9593 5.9593 6.3519 6.3519 7.6329 7.6329 8.3312 8.3312 8.3727 8.3727 10.9621 10.9621 11.1038 11.1038 11.9367 11.9367 12.0274 12.0274 12.9741 12.9741 k = 0.3333 0.5774-0.0000 ( 5463 PWs) bands (ev): -18.1252 -18.1252 -18.1074 -18.1074 -4.9402 -4.9402 -4.9175 -4.9175 -3.1542 -3.1542 -3.0468 -3.0468 -2.9775 -2.9775 -2.8332 -2.8332 0.0349 0.0349 0.1098 0.1098 4.2508 4.2508 4.2868 4.2868 4.3433 4.3433 4.6987 4.6987 4.7597 4.7597 4.7994 4.7994 4.8400 4.8400 4.8742 4.8742 5.2657 5.2657 5.5070 5.5070 5.8529 5.8529 5.9644 5.9644 6.3372 6.3372 7.6327 7.6327 8.3403 8.3403 8.3646 8.3646 10.9953 10.9953 11.0695 11.0695 11.9628 11.9628 12.0095 12.0095 12.9661 12.9661 k = 0.3333 0.5774-0.0000 ( 5463 PWs) bands (ev): -18.1252 -18.1252 -18.1074 -18.1074 -4.9402 -4.9402 -4.9175 -4.9175 -3.1542 -3.1542 -3.0468 -3.0468 -2.9775 -2.9775 -2.8332 -2.8332 0.0349 0.0349 0.1098 0.1098 4.2508 4.2508 4.2868 4.2868 4.3433 4.3433 4.6987 4.6987 4.7597 4.7597 4.7994 4.7994 4.8400 4.8400 4.8742 4.8742 5.2657 5.2657 5.5070 5.5070 5.8529 5.8529 5.9644 5.9644 6.3372 6.3372 7.6327 7.6327 8.3403 8.3403 8.3646 8.3646 10.9953 10.9953 11.0695 11.0695 11.9628 11.9628 12.0095 12.0095 12.9661 12.9661 k = 0.3262 0.5651-0.0000 ( 5467 PWs) bands (ev): -18.1252 -18.1252 -18.1075 -18.1075 -4.9402 -4.9402 -4.9174 -4.9174 -3.1541 -3.1541 -3.0473 -3.0473 -2.9768 -2.9768 -2.8329 -2.8329 0.0321 0.0321 0.1122 0.1122 4.2506 4.2506 4.2856 4.2856 4.3442 4.3442 4.6980 4.6980 4.7590 4.7590 4.7997 4.7997 4.8387 4.8387 4.8761 4.8761 5.2646 5.2646 5.5051 5.5051 5.8512 5.8512 5.9599 5.9599 6.3516 6.3516 7.6330 7.6330 8.3322 8.3322 8.3716 8.3716 10.9638 10.9638 11.1022 11.1022 11.9445 11.9445 12.0189 12.0189 12.9743 12.9743 k = 0.3191 0.5528-0.0000 ( 5485 PWs) bands (ev): -18.1253 -18.1253 -18.1075 -18.1075 -4.9401 -4.9401 -4.9172 -4.9172 -3.1539 -3.1539 -3.0489 -3.0489 -2.9747 -2.9747 -2.8320 -2.8320 0.0250 0.0250 0.1180 0.1180 4.2499 4.2499 4.2822 4.2822 4.3470 4.3470 4.6958 4.6958 4.7568 4.7568 4.8004 4.8004 4.8353 4.8353 4.8814 4.8814 5.2612 5.2612 5.4988 5.4988 5.8462 5.8462 5.9520 5.9520 6.3899 6.3899 7.6339 7.6339 8.3185 8.3185 8.3817 8.3817 10.9152 10.9152 11.1543 11.1543 11.9160 11.9160 12.0211 12.0211 12.9968 12.9968 k = 0.3121 0.5405-0.0000 ( 5485 PWs) bands (ev): -18.1254 -18.1254 -18.1076 -18.1076 -4.9399 -4.9399 -4.9168 -4.9168 -3.1533 -3.1533 -3.0514 -3.0514 -2.9716 -2.9716 -2.8305 -2.8305 0.0155 0.0155 0.1252 0.1252 4.2482 4.2482 4.2772 4.2772 4.3515 4.3515 4.6923 4.6923 4.7530 4.7530 4.8012 4.8012 4.8309 4.8309 4.8890 4.8890 5.2555 5.2555 5.4873 5.4873 5.8395 5.8395 5.9485 5.9485 6.4441 6.4441 7.6360 7.6360 8.3045 8.3045 8.3894 8.3894 10.8682 10.8682 11.2074 11.2074 11.8879 11.8879 12.0081 12.0081 13.0284 13.0284 k = 0.3050 0.5282-0.0000 ( 5493 PWs) bands (ev): -18.1256 -18.1256 -18.1078 -18.1078 -4.9397 -4.9397 -4.9161 -4.9161 -3.1524 -3.1524 -3.0544 -3.0544 -2.9676 -2.9676 -2.8286 -2.8286 0.0051 0.0051 0.1323 0.1323 4.2446 4.2446 4.2718 4.2718 4.3571 4.3571 4.6878 4.6878 4.7474 4.7474 4.8019 4.8019 4.8266 4.8266 4.8976 4.8976 5.2474 5.2474 5.4704 5.4704 5.8346 5.8346 5.9525 5.9525 6.5085 6.5085 7.6394 7.6394 8.2909 8.2909 8.3934 8.3934 10.8250 10.8250 11.2595 11.2595 11.8615 11.8615 11.9820 11.9820 13.0617 13.0617 k = 0.2979 0.5159-0.0000 ( 5497 PWs) bands (ev): -18.1259 -18.1259 -18.1080 -18.1080 -4.9394 -4.9394 -4.9153 -4.9153 -3.1512 -3.1512 -3.0578 -3.0578 -2.9628 -2.9628 -2.8263 -2.8263 -0.0054 -0.0054 0.1387 0.1387 4.2379 4.2379 4.2677 4.2677 4.3633 4.3633 4.6822 4.6822 4.7396 4.7396 4.8026 4.8026 4.8231 4.8231 4.9065 4.9065 5.2369 5.2369 5.4491 5.4491 5.8353 5.8353 5.9633 5.9633 6.5798 6.5798 7.6445 7.6445 8.2780 8.2780 8.3933 8.3933 10.7862 10.7862 11.3105 11.3105 11.8372 11.8372 11.9463 11.9463 13.0888 13.0888 k = 0.2908 0.5036-0.0000 ( 5501 PWs) bands (ev): -18.1262 -18.1262 -18.1083 -18.1083 -4.9390 -4.9390 -4.9141 -4.9141 -3.1495 -3.1495 -3.0616 -3.0616 -2.9576 -2.9576 -2.8235 -2.8235 -0.0158 -0.0158 0.1439 0.1439 4.2278 4.2278 4.2654 4.2654 4.3696 4.3696 4.6756 4.6756 4.7295 4.7295 4.8030 4.8030 4.8206 4.8206 4.9152 4.9152 5.2241 5.2241 5.4251 5.4251 5.8433 5.8433 5.9798 5.9798 6.6557 6.6557 7.6517 7.6517 8.2658 8.2658 8.3886 8.3886 10.7522 10.7522 11.3607 11.3607 11.8148 11.8148 11.9041 11.9041 13.1027 13.1027 k = 0.2837 0.4914-0.0000 ( 5505 PWs) bands (ev): -18.1265 -18.1265 -18.1086 -18.1086 -4.9386 -4.9386 -4.9127 -4.9127 -3.1474 -3.1474 -3.0654 -3.0654 -2.9520 -2.9520 -2.8204 -2.8204 -0.0255 -0.0255 0.1474 0.1474 4.2152 4.2152 4.2642 4.2642 4.3757 4.3757 4.6681 4.6681 4.7172 4.7172 4.8033 4.8033 4.8190 4.8190 4.9231 4.9231 5.2093 5.2093 5.4006 5.4006 5.8589 5.8589 6.0010 6.0010 6.7353 6.7353 7.6610 7.6610 8.2544 8.2544 8.3790 8.3790 10.7230 10.7230 11.4105 11.4105 11.7940 11.7940 11.8583 11.8583 13.0990 13.0990 k = 0.2766 0.4791-0.0000 ( 5495 PWs) bands (ev): -18.1270 -18.1270 -18.1090 -18.1090 -4.9380 -4.9380 -4.9111 -4.9111 -3.1448 -3.1448 -3.0693 -3.0693 -2.9461 -2.9461 -2.8170 -2.8170 -0.0344 -0.0344 0.1491 0.1491 4.2009 4.2009 4.2636 4.2636 4.3815 4.3815 4.6594 4.6594 4.7032 4.7032 4.8032 4.8032 4.8183 4.8183 4.9298 4.9298 5.1931 5.1931 5.3771 5.3771 5.8817 5.8817 6.0268 6.0268 6.8176 6.8176 7.6729 7.6729 8.2440 8.2440 8.3644 8.3644 10.6987 10.6987 11.4604 11.4604 11.7722 11.7722 11.8129 11.8129 13.0768 13.0768 k = 0.2695 0.4668-0.0000 ( 5487 PWs) bands (ev): -18.1275 -18.1275 -18.1094 -18.1094 -4.9373 -4.9373 -4.9090 -4.9090 -3.1417 -3.1417 -3.0732 -3.0732 -2.9399 -2.9399 -2.8134 -2.8134 -0.0424 -0.0424 0.1488 0.1488 4.1854 4.1854 4.2631 4.2631 4.3868 4.3868 4.6490 4.6490 4.6882 4.6882 4.8028 4.8028 4.8182 4.8182 4.9350 4.9350 5.1760 5.1760 5.3555 5.3555 5.9111 5.9111 6.0569 6.0569 6.9021 6.9021 7.6874 7.6874 8.2344 8.2344 8.3446 8.3446 10.6795 10.6795 11.5105 11.5105 11.7397 11.7397 11.7793 11.7793 13.0380 13.0381 k = 0.2624 0.4545-0.0000 ( 5475 PWs) bands (ev): -18.1280 -18.1280 -18.1099 -18.1099 -4.9366 -4.9366 -4.9067 -4.9067 -3.1381 -3.1381 -3.0771 -3.0771 -2.9335 -2.9335 -2.8096 -2.8096 -0.0494 -0.0494 0.1464 0.1464 4.1691 4.1691 4.2626 4.2626 4.3914 4.3914 4.6364 4.6364 4.6734 4.6734 4.8015 4.8015 4.8186 4.8186 4.9384 4.9384 5.1591 5.1591 5.3363 5.3363 5.9467 5.9467 6.0912 6.0912 6.9884 6.9884 7.7047 7.7047 8.2257 8.2257 8.3195 8.3195 10.6654 10.6654 11.5606 11.5606 11.6940 11.6940 11.7617 11.7617 12.9859 12.9859 k = 0.2553 0.4422-0.0000 ( 5479 PWs) bands (ev): -18.1286 -18.1286 -18.1105 -18.1105 -4.9358 -4.9358 -4.9041 -4.9041 -3.1342 -3.1342 -3.0808 -3.0808 -2.9269 -2.9269 -2.8056 -2.8056 -0.0551 -0.0551 0.1418 0.1418 4.1523 4.1523 4.2617 4.2617 4.3952 4.3952 4.6208 4.6208 4.6598 4.6598 4.7992 4.7992 4.8195 4.8195 4.9398 4.9398 5.1431 5.1431 5.3194 5.3194 5.9880 5.9880 6.1297 6.1297 7.0760 7.0760 7.7249 7.7249 8.2179 8.2179 8.2894 8.2894 10.6564 10.6564 11.6033 11.6033 11.6526 11.6526 11.7510 11.7510 12.9236 12.9236 k = 0.2482 0.4299-0.0000 ( 5483 PWs) bands (ev): -18.1293 -18.1293 -18.1111 -18.1111 -4.9349 -4.9349 -4.9011 -4.9011 -3.1300 -3.1300 -3.0841 -3.0841 -2.9200 -2.9200 -2.8016 -2.8016 -0.0596 -0.0596 0.1350 0.1350 4.1353 4.1353 4.2604 4.2604 4.3981 4.3981 4.6024 4.6024 4.6478 4.6478 4.7954 4.7954 4.8209 4.8209 4.9393 4.9393 5.1286 5.1286 5.3045 5.3045 6.0348 6.0348 6.1725 6.1725 7.1648 7.1648 7.7481 7.7481 8.2108 8.2108 8.2544 8.2544 10.6526 10.6526 11.5803 11.5803 11.6759 11.6759 11.7454 11.7454 12.8541 12.8541 k = 0.2411 0.4177-0.0000 ( 5481 PWs) bands (ev): -18.1300 -18.1300 -18.1117 -18.1117 -4.9339 -4.9339 -4.8977 -4.8977 -3.1258 -3.1258 -3.0869 -3.0869 -2.9129 -2.9129 -2.7975 -2.7975 -0.0628 -0.0628 0.1259 0.1259 4.1185 4.1185 4.2584 4.2584 4.4003 4.4003 4.5821 4.5821 4.6371 4.6371 4.7898 4.7898 4.8228 4.8228 4.9370 4.9370 5.1159 5.1159 5.2914 5.2914 6.0869 6.0869 6.2196 6.2196 7.2543 7.2543 7.7742 7.7742 8.2024 8.2024 8.2171 8.2171 10.6539 10.6539 11.5308 11.5308 11.7149 11.7149 11.7555 11.7555 12.7794 12.7794 k = 0.2340 0.4054-0.0000 ( 5481 PWs) bands (ev): -18.1308 -18.1308 -18.1124 -18.1124 -4.9328 -4.9328 -4.8940 -4.8940 -3.1221 -3.1221 -3.0884 -3.0884 -2.9055 -2.9055 -2.7934 -2.7934 -0.0646 -0.0646 0.1145 0.1145 4.1018 4.1018 4.2556 4.2556 4.4015 4.4015 4.5608 4.5608 4.6271 4.6271 4.7822 4.7822 4.8251 4.8251 4.9334 4.9334 5.1050 5.1050 5.2800 5.2800 6.1441 6.1441 6.2709 6.2709 7.3442 7.3442 7.8031 7.8031 8.1675 8.1675 8.2030 8.2030 10.6603 10.6603 11.4797 11.4797 11.7235 11.7235 11.8027 11.8027 12.7012 12.7012 k = 0.2270 0.3931-0.0000 ( 5477 PWs) bands (ev): -18.1317 -18.1317 -18.1132 -18.1132 -4.9317 -4.9317 -4.8900 -4.8900 -3.1200 -3.1200 -3.0879 -3.0879 -2.8980 -2.8980 -2.7893 -2.7893 -0.0650 -0.0650 0.1008 0.1008 4.0857 4.0857 4.2517 4.2517 4.4019 4.4019 4.5393 4.5393 4.6176 4.6176 4.7726 4.7726 4.8278 4.8278 4.9289 4.9289 5.0956 5.0956 5.2699 5.2699 6.2062 6.2062 6.3266 6.3266 7.4344 7.4344 7.8346 7.8346 8.1200 8.1200 8.1989 8.1989 10.6717 10.6717 11.4291 11.4291 11.7241 11.7241 11.8627 11.8627 12.6207 12.6207 k = 0.2199 0.3808-0.0000 ( 5479 PWs) bands (ev): -18.1326 -18.1326 -18.1140 -18.1140 -4.9306 -4.9306 -4.8857 -4.8857 -3.1200 -3.1200 -3.0845 -3.0845 -2.8901 -2.8901 -2.7852 -2.7852 -0.0641 -0.0641 0.0849 0.0849 4.0703 4.0703 4.2465 4.2465 4.4015 4.4015 4.5182 4.5182 4.6083 4.6083 4.7608 4.7608 4.8309 4.8309 4.9239 4.9239 5.0875 5.0875 5.2610 5.2610 6.2731 6.2731 6.3865 6.3865 7.5244 7.5244 7.8672 7.8672 8.0698 8.0698 8.1966 8.1966 10.6882 10.6882 11.3794 11.3794 11.7246 11.7246 11.9267 11.9267 12.5385 12.5385 k = 0.2128 0.3685-0.0000 ( 5491 PWs) bands (ev): -18.1336 -18.1336 -18.1149 -18.1149 -4.9294 -4.9294 -4.8810 -4.8810 -3.1219 -3.1219 -3.0786 -3.0786 -2.8820 -2.8820 -2.7813 -2.7813 -0.0619 -0.0619 0.0670 0.0670 4.0558 4.0558 4.2397 4.2397 4.4003 4.4003 4.4981 4.4981 4.5992 4.5992 4.7470 4.7470 4.8342 4.8342 4.9187 4.9187 5.0801 5.0801 5.2532 5.2532 6.3446 6.3446 6.4507 6.4507 7.6139 7.6139 7.8960 7.8960 8.0229 8.0229 8.1956 8.1956 10.7095 10.7095 11.3308 11.3308 11.7261 11.7261 11.9934 11.9934 12.4556 12.4556 k = 0.2057 0.3562-0.0000 ( 5499 PWs) bands (ev): -18.1346 -18.1346 -18.1158 -18.1158 -4.9282 -4.9282 -4.8761 -4.8761 -3.1251 -3.1251 -3.0708 -3.0708 -2.8736 -2.8736 -2.7774 -2.7774 -0.0585 -0.0585 0.0471 0.0471 4.0422 4.0422 4.2310 4.2310 4.3985 4.3985 4.4793 4.4793 4.5903 4.5903 4.7315 4.7315 4.8378 4.8378 4.9137 4.9137 5.0734 5.0734 5.2464 5.2464 6.4206 6.4206 6.5190 6.5190 7.7025 7.7025 7.8981 7.8981 8.0027 8.0027 8.1959 8.1959 10.7357 10.7357 11.2835 11.2835 11.7285 11.7285 12.0618 12.0618 12.3725 12.3725 k = 0.1986 0.3440-0.0000 ( 5499 PWs) bands (ev): -18.1357 -18.1357 -18.1167 -18.1167 -4.9270 -4.9270 -4.8708 -4.8708 -3.1291 -3.1291 -3.0615 -3.0615 -2.8650 -2.8650 -2.7736 -2.7736 -0.0542 -0.0542 0.0256 0.0256 4.0298 4.0298 4.2204 4.2204 4.3960 4.3960 4.4622 4.4622 4.5815 4.5815 4.7145 4.7145 4.8417 4.8417 4.9090 4.9090 5.0669 5.0669 5.2406 5.2406 6.5009 6.5009 6.5913 6.5913 7.7892 7.7892 7.8556 7.8556 8.0281 8.0281 8.1977 8.1977 10.7665 10.7665 11.2376 11.2376 11.7315 11.7315 12.1302 12.1302 12.2912 12.2912 k = 0.1915 0.3317-0.0000 ( 5485 PWs) bands (ev): -18.1367 -18.1367 -18.1177 -18.1177 -4.9258 -4.9258 -4.8654 -4.8654 -3.1336 -3.1336 -3.0511 -3.0511 -2.8561 -2.8561 -2.7700 -2.7700 -0.0498 -0.0498 0.0035 0.0035 4.0185 4.0185 4.2078 4.2078 4.3931 4.3931 4.4467 4.4467 4.5730 4.5730 4.6965 4.6965 4.8458 4.8458 4.9046 4.9046 5.0605 5.0605 5.2355 5.2355 6.5852 6.5852 6.6677 6.6677 7.7924 7.7924 7.8769 7.8769 8.0724 8.0724 8.2009 8.2009 10.8019 10.8019 11.1932 11.1932 11.7347 11.7347 12.1742 12.1742 12.2358 12.2358 k = 0.1844 0.3194-0.0000 ( 5487 PWs) bands (ev): -18.1379 -18.1379 -18.1187 -18.1187 -4.9247 -4.9247 -4.8597 -4.8597 -3.1383 -3.1383 -3.0398 -3.0398 -2.8469 -2.8469 -2.7665 -2.7665 -0.0495 -0.0495 -0.0151 -0.0151 4.0085 4.0085 4.1931 4.1931 4.3896 4.3896 4.4329 4.4329 4.5645 4.5645 4.6779 4.6779 4.8501 4.8501 4.9004 4.9004 5.0542 5.0542 5.2310 5.2310 6.6735 6.6735 6.7480 6.7480 7.7255 7.7255 7.9598 7.9598 8.1243 8.1243 8.2055 8.2055 10.8416 10.8416 11.1505 11.1505 11.7377 11.7377 12.1112 12.1112 12.2886 12.2886 k = 0.1773 0.3071-0.0000 ( 5483 PWs) bands (ev): -18.1390 -18.1390 -18.1197 -18.1197 -4.9236 -4.9236 -4.8538 -4.8538 -3.1433 -3.1433 -3.0276 -3.0276 -2.8375 -2.8375 -2.7632 -2.7632 -0.0639 -0.0639 -0.0193 -0.0193 3.9997 3.9997 4.1766 4.1766 4.3854 4.3854 4.4208 4.4208 4.5562 4.5562 4.6592 4.6592 4.8546 4.8546 4.8966 4.8966 5.0477 5.0477 5.2272 5.2272 6.7653 6.7653 6.8322 6.8322 7.6549 7.6549 8.0402 8.0402 8.1813 8.1813 8.2119 8.2119 10.8853 10.8853 11.1098 11.1098 11.7400 11.7400 12.0300 12.0300 12.3606 12.3606 k = 0.1702 0.2948-0.0000 ( 5485 PWs) bands (ev): -18.1402 -18.1402 -18.1208 -18.1208 -4.9225 -4.9225 -4.8477 -4.8477 -3.1483 -3.1483 -3.0147 -3.0147 -2.8278 -2.8278 -2.7601 -2.7601 -0.0893 -0.0893 -0.0129 -0.0129 3.9920 3.9920 4.1586 4.1586 4.3803 4.3803 4.4103 4.4103 4.5481 4.5481 4.6408 4.6408 4.8591 4.8591 4.8931 4.8931 5.0411 5.0411 5.2240 5.2240 6.8604 6.8604 6.9203 6.9203 7.5820 7.5820 8.1173 8.1173 8.2200 8.2200 8.2427 8.2427 10.9323 10.9323 11.0715 11.0715 11.7409 11.7409 11.9477 11.9477 12.4342 12.4342 k = 0.1631 0.2825-0.0000 ( 5479 PWs) bands (ev): -18.1414 -18.1414 -18.1218 -18.1218 -4.9216 -4.9216 -4.8415 -4.8415 -3.1533 -3.1533 -3.0011 -3.0011 -2.8179 -2.8179 -2.7571 -2.7571 -0.1184 -0.1184 -0.0032 -0.0032 3.9855 3.9855 4.1393 4.1393 4.3742 4.3742 4.4011 4.4011 4.5401 4.5401 4.6231 4.6231 4.8638 4.8638 4.8898 4.8898 5.0345 5.0345 5.2212 5.2212 6.9582 6.9582 7.0124 7.0124 7.5077 7.5077 8.1890 8.1890 8.2324 8.2324 8.3075 8.3075 10.9785 10.9785 11.0396 11.0396 11.7399 11.7399 11.8656 11.8656 12.5075 12.5075 k = 0.1560 0.2702-0.0000 ( 5479 PWs) bands (ev): -18.1426 -18.1426 -18.1229 -18.1229 -4.9207 -4.9207 -4.8352 -4.8352 -3.1584 -3.1584 -2.9868 -2.9868 -2.8079 -2.8079 -2.7543 -2.7543 -0.1492 -0.1492 0.0082 0.0082 3.9800 3.9800 4.1192 4.1192 4.3669 4.3669 4.3931 4.3931 4.5323 4.5323 4.6067 4.6067 4.8684 4.8684 4.8869 4.8869 5.0277 5.0277 5.2189 5.2189 7.0583 7.0583 7.1087 7.1087 7.4326 7.4326 8.2314 8.2314 8.2731 8.2731 8.3746 8.3746 10.9850 10.9850 11.0528 11.0528 11.7361 11.7361 11.7843 11.7843 12.5794 12.5794 k = 0.1489 0.2580-0.0000 ( 5479 PWs) bands (ev): -18.1439 -18.1439 -18.1240 -18.1240 -4.9198 -4.9198 -4.8289 -4.8289 -3.1634 -3.1634 -2.9719 -2.9719 -2.7978 -2.7978 -2.7517 -2.7517 -0.1812 -0.1812 0.0206 0.0206 3.9754 3.9754 4.0985 4.0985 4.3585 4.3585 4.3856 4.3856 4.5245 4.5245 4.5921 4.5921 4.8727 4.8727 4.8846 4.8846 5.0208 5.0208 5.2170 5.2170 7.1598 7.1598 7.2084 7.2084 7.3583 7.3583 8.2467 8.2467 8.3407 8.3407 8.4430 8.4430 10.9557 10.9557 11.1071 11.1071 11.7037 11.7037 11.7292 11.7292 12.6483 12.6483 k = 0.1418 0.2457-0.0000 ( 5469 PWs) bands (ev): -18.1451 -18.1451 -18.1251 -18.1251 -4.9191 -4.9191 -4.8226 -4.8226 -3.1684 -3.1684 -2.9566 -2.9566 -2.7875 -2.7875 -2.7492 -2.7492 -0.2141 -0.2141 0.0339 0.0339 3.9716 3.9716 4.0777 4.0777 4.3492 4.3492 4.3784 4.3784 4.5167 4.5167 4.5797 4.5797 4.8754 4.8754 4.8842 4.8842 5.0140 5.0140 5.2155 5.2155 7.2553 7.2553 7.2765 7.2765 7.3271 7.3271 8.2607 8.2607 8.4099 8.4099 8.5114 8.5114 10.9245 10.9245 11.1682 11.1682 11.6246 11.6246 11.7179 11.7179 12.7119 12.7119 k = 0.1348 0.2334-0.0000 ( 5477 PWs) bands (ev): -18.1463 -18.1463 -18.1261 -18.1261 -4.9185 -4.9185 -4.8163 -4.8163 -3.1732 -3.1732 -2.9407 -2.9407 -2.7772 -2.7772 -2.7468 -2.7468 -0.2474 -0.2474 0.0477 0.0477 3.9683 3.9683 4.0570 4.0570 4.3391 4.3391 4.3711 4.3711 4.5086 4.5086 4.5700 4.5700 4.8749 4.8749 4.8871 4.8871 5.0072 5.0072 5.2142 5.2142 7.1990 7.1990 7.3680 7.3680 7.4302 7.4302 8.2756 8.2756 8.4788 8.4788 8.5793 8.5793 10.8944 10.8944 11.2329 11.2329 11.5469 11.5469 11.7020 11.7020 12.7631 12.7631 k = 0.1277 0.2211-0.0000 ( 5477 PWs) bands (ev): -18.1475 -18.1475 -18.1272 -18.1272 -4.9180 -4.9180 -4.8100 -4.8100 -3.1780 -3.1780 -2.9246 -2.9246 -2.7670 -2.7670 -2.7446 -2.7446 -0.2811 -0.2811 0.0620 0.0620 3.9652 3.9652 4.0368 4.0368 4.3281 4.3281 4.3638 4.3638 4.5002 4.5002 4.5630 4.5630 4.8729 4.8729 4.8916 4.8916 5.0006 5.0006 5.2133 5.2133 7.1244 7.1244 7.4726 7.4726 7.5441 7.5441 8.2914 8.2914 8.5467 8.5467 8.6464 8.6464 10.8660 10.8660 11.2999 11.2999 11.4709 11.4709 11.6808 11.6808 12.7799 12.7799 k = 0.1206 0.2088-0.0000 ( 5485 PWs) bands (ev): -18.1487 -18.1487 -18.1282 -18.1282 -4.9176 -4.9176 -4.8039 -4.8039 -3.1825 -3.1825 -2.9081 -2.9081 -2.7570 -2.7570 -2.7424 -2.7424 -0.3149 -0.3149 0.0766 0.0766 3.9617 3.9617 4.0178 4.0178 4.3163 4.3163 4.3567 4.3567 4.4915 4.4915 4.5587 4.5587 4.8704 4.8704 4.8966 4.8966 4.9943 4.9943 5.2126 5.2126 7.0499 7.0499 7.5784 7.5784 7.6622 7.6622 8.3083 8.3083 8.6125 8.6125 8.7133 8.7133 10.8393 10.8393 11.3651 11.3651 11.4006 11.4006 11.6540 11.6540 12.7495 12.7495 k = 0.1135 0.1965-0.0000 ( 5479 PWs) bands (ev): -18.1498 -18.1498 -18.1293 -18.1293 -4.9173 -4.9173 -4.7979 -4.7979 -3.1869 -3.1869 -2.8915 -2.8915 -2.7476 -2.7476 -2.7397 -2.7397 -0.3485 -0.3485 0.0914 0.0914 3.9567 3.9567 4.0012 4.0012 4.3037 4.3037 4.3501 4.3501 4.4827 4.4827 4.5566 4.5566 4.8678 4.8678 4.9017 4.9017 4.9885 4.9885 5.2122 5.2122 6.9765 6.9765 7.6854 7.6854 7.7838 7.7838 8.3262 8.3262 8.6749 8.6749 8.7810 8.7810 10.8143 10.8143 11.3210 11.3210 11.4427 11.4427 11.6217 11.6217 12.7011 12.7011 k = 0.1064 0.1843-0.0000 ( 5481 PWs) bands (ev): -18.1509 -18.1509 -18.1303 -18.1303 -4.9171 -4.9171 -4.7921 -4.7921 -3.1910 -3.1910 -2.8748 -2.8748 -2.7414 -2.7414 -2.7342 -2.7342 -0.3817 -0.3817 0.1062 0.1062 3.9486 3.9486 3.9888 3.9888 4.2903 4.2903 4.3441 4.3441 4.4739 4.4739 4.5564 4.5564 4.8652 4.8652 4.9066 4.9066 4.9834 4.9834 5.2120 5.2120 6.9045 6.9045 7.7933 7.7933 7.9083 7.9083 8.3447 8.3447 8.7324 8.7324 8.8506 8.8506 10.7911 10.7911 11.2504 11.2504 11.5115 11.5115 11.5859 11.5859 12.6497 12.6497 k = 0.0993 0.1720-0.0000 ( 5483 PWs) bands (ev): -18.1520 -18.1520 -18.1312 -18.1312 -4.9169 -4.9169 -4.7865 -4.7865 -3.1949 -3.1949 -2.8582 -2.8582 -2.7387 -2.7387 -2.7255 -2.7255 -0.4143 -0.4143 0.1209 0.1209 3.9363 3.9363 3.9813 3.9813 4.2765 4.2765 4.3389 4.3389 4.4654 4.4654 4.5576 4.5576 4.8625 4.8625 4.9110 4.9110 4.9794 4.9794 5.2120 5.2120 6.8345 6.8345 7.9019 7.9019 8.0355 8.0355 8.3639 8.3639 8.7838 8.7838 8.9229 8.9229 10.7696 10.7696 11.1811 11.1811 11.5297 11.5297 11.5961 11.5961 12.5991 12.5991 k = 0.0922 0.1597-0.0000 ( 5475 PWs) bands (ev): -18.1530 -18.1530 -18.1321 -18.1321 -4.9169 -4.9169 -4.7811 -4.7811 -3.1986 -3.1986 -2.8418 -2.8418 -2.7369 -2.7369 -2.7163 -2.7163 -0.4460 -0.4460 0.1353 0.1353 3.9215 3.9215 3.9775 3.9775 4.2624 4.2624 4.3346 4.3346 4.4570 4.4570 4.5599 4.5599 4.8598 4.8598 4.9145 4.9145 4.9767 4.9767 5.2123 5.2123 6.7667 6.7667 8.0107 8.0107 8.1650 8.1650 8.3834 8.3834 8.8290 8.8290 8.9978 8.9978 10.7497 10.7497 11.1131 11.1131 11.4834 11.4834 11.6653 11.6653 12.5505 12.5505 k = 0.0851 0.1474-0.0000 ( 5483 PWs) bands (ev): -18.1540 -18.1540 -18.1330 -18.1330 -4.9169 -4.9169 -4.7760 -4.7760 -3.2020 -3.2020 -2.8259 -2.8259 -2.7352 -2.7352 -2.7073 -2.7073 -0.4766 -0.4766 0.1493 0.1493 3.9057 3.9057 3.9755 3.9755 4.2483 4.2483 4.3311 4.3311 4.4490 4.4490 4.5630 4.5630 4.8571 4.8571 4.9168 4.9168 4.9759 4.9759 5.2126 5.2126 6.7015 6.7015 8.1193 8.1193 8.2965 8.2965 8.4031 8.4031 8.8684 8.8684 9.0746 9.0746 10.7313 10.7313 11.0461 11.0461 11.4292 11.4292 11.7367 11.7367 12.5039 12.5039 k = 0.0780 0.1351-0.0000 ( 5479 PWs) bands (ev): -18.1550 -18.1550 -18.1338 -18.1338 -4.9170 -4.9170 -4.7712 -4.7712 -3.2052 -3.2052 -2.8105 -2.8105 -2.7336 -2.7336 -2.6987 -2.6987 -0.5059 -0.5059 0.1628 0.1628 3.8902 3.8902 3.9744 3.9744 4.2346 4.2346 4.3284 4.3284 4.4413 4.4413 4.5666 4.5666 4.8544 4.8544 4.9177 4.9177 4.9771 4.9771 5.2132 5.2132 6.6394 6.6394 8.2272 8.2272 8.4227 8.4227 8.4299 8.4299 8.9024 8.9024 9.1527 9.1527 10.7143 10.7143 10.9797 10.9797 11.3704 11.3704 11.8069 11.8069 12.4369 12.4369 k = 0.0709 0.1228-0.0000 ( 5477 PWs) bands (ev): -18.1558 -18.1558 -18.1346 -18.1346 -4.9172 -4.9172 -4.7668 -4.7668 -3.2081 -3.2081 -2.7960 -2.7960 -2.7320 -2.7320 -2.6905 -2.6905 -0.5337 -0.5337 0.1756 0.1756 3.8753 3.8753 3.9739 3.9739 4.2213 4.2213 4.3265 4.3265 4.4341 4.4341 4.5705 4.5705 4.8517 4.8517 4.9172 4.9172 4.9802 4.9802 5.2140 5.2140 6.5806 6.5806 8.3334 8.3334 8.4424 8.4424 8.5645 8.5645 8.9315 8.9315 9.2311 9.2311 10.6986 10.6986 10.9132 10.9132 11.3085 11.3085 11.8743 11.8743 12.3161 12.3161 k = 0.0638 0.1106-0.0000 ( 5481 PWs) bands (ev): -18.1566 -18.1566 -18.1353 -18.1353 -4.9173 -4.9173 -4.7627 -4.7627 -3.2107 -3.2107 -2.7826 -2.7826 -2.7301 -2.7301 -2.6829 -2.6829 -0.5597 -0.5597 0.1875 0.1875 3.8614 3.8614 3.9736 3.9736 4.2087 4.2087 4.3253 4.3253 4.4272 4.4272 4.5745 4.5745 4.8492 4.8492 4.9156 4.9156 4.9848 4.9848 5.2149 5.2149 6.5256 6.5256 8.4337 8.4337 8.4651 8.4651 8.7002 8.7002 8.9564 8.9564 9.3090 9.3090 10.6839 10.6839 10.8458 10.8458 11.2445 11.2445 11.9378 11.9378 12.1971 12.1971 k = 0.0567 0.0983-0.0000 ( 5473 PWs) bands (ev): -18.1574 -18.1574 -18.1359 -18.1359 -4.9175 -4.9175 -4.7589 -4.7589 -3.2131 -3.2131 -2.7706 -2.7706 -2.7278 -2.7278 -2.6759 -2.6759 -0.5837 -0.5837 0.1986 0.1986 3.8486 3.8486 3.9734 3.9734 4.1969 4.1969 4.3247 4.3247 4.4207 4.4207 4.5786 4.5786 4.8467 4.8467 4.9133 4.9133 4.9904 4.9904 5.2160 5.2160 6.4748 6.4748 8.4747 8.4747 8.5429 8.5429 8.8358 8.8358 8.9779 8.9779 9.3854 9.3854 10.6698 10.6698 10.7769 10.7769 11.1798 11.1798 11.9957 11.9957 12.0846 12.0846 k = 0.0496 0.0860-0.0000 ( 5473 PWs) bands (ev): -18.1580 -18.1580 -18.1365 -18.1365 -4.9178 -4.9178 -4.7556 -4.7556 -3.2152 -3.2152 -2.7606 -2.7606 -2.7248 -2.7248 -2.6696 -2.6696 -0.6054 -0.6054 0.2087 0.2087 3.8371 3.8371 3.9733 3.9733 4.1862 4.1862 4.3247 4.3247 4.4148 4.4148 4.5824 4.5824 4.8444 4.8444 4.9108 4.9108 4.9963 4.9963 5.2172 5.2172 6.4286 6.4286 8.4921 8.4921 8.6387 8.6387 8.9642 8.9642 9.0035 9.0035 9.4590 9.4590 10.6535 10.6535 10.7078 10.7078 11.1161 11.1161 11.9781 11.9781 12.0461 12.0461 k = 0.0426 0.0737-0.0000 ( 5461 PWs) bands (ev): -18.1586 -18.1586 -18.1370 -18.1370 -4.9180 -4.9180 -4.7527 -4.7527 -3.2170 -3.2170 -2.7529 -2.7529 -2.7208 -2.7208 -2.6640 -2.6640 -0.6248 -0.6248 0.2176 0.2176 3.8270 3.8270 3.9733 3.9733 4.1766 4.1766 4.3251 4.3251 4.4094 4.4094 4.5860 4.5860 4.8423 4.8423 4.9084 4.9084 5.0024 5.0024 5.2185 5.2185 6.3874 6.3874 8.5072 8.5072 8.7294 8.7294 9.0039 9.0039 9.1141 9.1141 9.5284 9.5284 10.6113 10.6113 10.6615 10.6615 11.0550 11.0550 11.8844 11.8844 11.9862 11.9862 k = 0.0355 0.0614-0.0000 ( 5451 PWs) bands (ev): -18.1591 -18.1591 -18.1375 -18.1375 -4.9182 -4.9182 -4.7502 -4.7502 -3.2185 -3.2185 -2.7475 -2.7475 -2.7159 -2.7159 -2.6591 -2.6591 -0.6415 -0.6415 0.2253 0.2253 3.8183 3.8183 3.9733 3.9733 4.1683 4.1683 4.3258 4.3258 4.4046 4.4046 4.5892 4.5892 4.8404 4.8404 4.9060 4.9060 5.0081 5.0081 5.2197 5.2197 6.3516 6.3516 8.5203 8.5203 8.8122 8.8122 9.0169 9.0169 9.2475 9.2475 9.5920 9.5920 10.5336 10.5336 10.6465 10.6465 10.9986 10.9986 11.8024 11.8024 11.8867 11.8867 k = 0.0284 0.0491-0.0000 ( 5467 PWs) bands (ev): -18.1595 -18.1595 -18.1378 -18.1378 -4.9183 -4.9183 -4.7481 -4.7481 -3.2198 -3.2198 -2.7441 -2.7441 -2.7108 -2.7108 -2.6551 -2.6551 -0.6554 -0.6554 0.2317 0.2317 3.8110 3.8110 3.9733 3.9733 4.1613 4.1613 4.3266 4.3266 4.4004 4.4004 4.5919 4.5919 4.8387 4.8387 4.9040 4.9040 5.0131 5.0131 5.2209 5.2209 6.3217 6.3217 8.5313 8.5313 8.8847 8.8847 9.0270 9.0270 9.3791 9.3791 9.6477 9.6477 10.4461 10.4461 10.6376 10.6376 10.9489 10.9489 11.7335 11.7335 11.7987 11.7987 k = 0.0213 0.0369-0.0000 ( 5473 PWs) bands (ev): -18.1598 -18.1598 -18.1381 -18.1381 -4.9185 -4.9185 -4.7465 -4.7465 -3.2207 -3.2207 -2.7420 -2.7420 -2.7061 -2.7061 -2.6519 -2.6519 -0.6664 -0.6664 0.2368 0.2368 3.8054 3.8054 3.9734 3.9734 4.1557 4.1557 4.3275 4.3275 4.3970 4.3970 4.5941 4.5941 4.8374 4.8374 4.9023 4.9023 5.0173 5.0173 5.2220 5.2220 6.2979 6.2979 8.5401 8.5401 8.9436 8.9436 9.0359 9.0359 9.5055 9.5055 9.6937 9.6937 10.3540 10.3540 10.6311 10.6311 10.9079 10.9079 11.6786 11.6786 11.7263 11.7263 k = 0.0142 0.0246-0.0000 ( 5473 PWs) bands (ev): -18.1600 -18.1600 -18.1383 -18.1383 -4.9186 -4.9186 -4.7454 -4.7454 -3.2214 -3.2214 -2.7407 -2.7407 -2.7025 -2.7025 -2.6497 -2.6497 -0.6744 -0.6744 0.2404 0.2404 3.8013 3.8013 3.9734 3.9734 4.1517 4.1517 4.3283 4.3283 4.3945 4.3945 4.5957 4.5957 4.8364 4.8364 4.9011 4.9011 5.0204 5.0204 5.2228 5.2228 6.2807 6.2807 8.5465 8.5465 8.9848 8.9848 9.0455 9.0455 9.6211 9.6211 9.7284 9.7284 10.2625 10.2625 10.6265 10.6265 10.8775 10.8775 11.6374 11.6374 11.6733 11.6733 k = 0.0071 0.0123-0.0000 ( 5475 PWs) bands (ev): -18.1602 -18.1602 -18.1384 -18.1384 -4.9187 -4.9187 -4.7447 -4.7447 -3.2218 -3.2218 -2.7401 -2.7401 -2.7002 -2.7002 -2.6483 -2.6483 -0.6792 -0.6792 0.2426 0.2426 3.7988 3.7988 3.9735 3.9735 4.1492 4.1492 4.3288 4.3288 4.3930 4.3930 4.5967 4.5967 4.8358 4.8358 4.9003 4.9003 5.0224 5.0224 5.2234 5.2234 6.2703 6.2703 8.5504 8.5504 9.0061 9.0061 9.0558 9.0558 9.7114 9.7114 9.7520 9.7520 10.1845 10.1845 10.6237 10.6237 10.8588 10.8588 11.6109 11.6109 11.6419 11.6419 k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -18.1602 -18.1602 -18.1385 -18.1385 -4.9187 -4.9187 -4.7444 -4.7444 -3.2220 -3.2220 -2.7399 -2.7399 -2.6994 -2.6994 -2.6478 -2.6478 -0.6808 -0.6808 0.2433 0.2433 3.7980 3.7980 3.9735 3.9735 4.1484 4.1484 4.3290 4.3290 4.3925 4.3925 4.5971 4.5971 4.8356 4.8356 4.9001 4.9001 5.0231 5.0231 5.2236 5.2236 6.2668 6.2668 8.5517 8.5517 9.0120 9.0120 9.0607 9.0607 9.7431 9.7431 9.7670 9.7670 10.1499 10.1499 10.6228 10.6228 10.8526 10.8526 11.6014 11.6014 11.6318 11.6318 k = 0.0000 0.0000 0.0000 ( 5467 PWs) bands (ev): -18.1602 -18.1602 -18.1385 -18.1385 -4.9187 -4.9187 -4.7444 -4.7444 -3.2220 -3.2220 -2.7399 -2.7399 -2.6994 -2.6994 -2.6478 -2.6478 -0.6808 -0.6808 0.2433 0.2433 3.7980 3.7980 3.9735 3.9735 4.1484 4.1484 4.3290 4.3290 4.3925 4.3925 4.5971 4.5971 4.8356 4.8356 4.9001 4.9001 5.0231 5.0231 5.2236 5.2236 6.2668 6.2668 8.5517 8.5517 9.0120 9.0120 9.0607 9.0607 9.7431 9.7431 9.7670 9.7670 10.1499 10.1499 10.6228 10.6228 10.8526 10.8526 11.6014 11.6014 11.6318 11.6318 k = 0.0000 0.0000 0.0141 ( 5484 PWs) bands (ev): -18.1602 -18.1602 -18.1385 -18.1385 -4.9183 -4.9183 -4.7447 -4.7447 -3.2214 -3.2214 -2.7413 -2.7413 -2.6993 -2.6993 -2.6479 -2.6479 -0.6786 -0.6786 0.2418 0.2418 3.7983 3.7983 3.9732 3.9732 4.1487 4.1487 4.3286 4.3286 4.3927 4.3927 4.5965 4.5965 4.8359 4.8359 4.9003 4.9003 5.0227 5.0227 5.2218 5.2218 6.2714 6.2714 8.5443 8.5443 9.0130 9.0130 9.0618 9.0618 9.7410 9.7410 9.7650 9.7650 10.1553 10.1553 10.6266 10.6266 10.8521 10.8521 11.6035 11.6035 11.6341 11.6341 k = 0.0000 0.0000 0.0283 ( 5460 PWs) bands (ev): -18.1600 -18.1600 -18.1386 -18.1386 -4.9172 -4.9172 -4.7456 -4.7456 -3.2196 -3.2196 -2.7456 -2.7456 -2.6990 -2.6990 -2.6482 -2.6482 -0.6721 -0.6721 0.2372 0.2372 3.7993 3.7993 3.9722 3.9722 4.1498 4.1498 4.3275 4.3275 4.3937 4.3937 4.5950 4.5950 4.8370 4.8370 4.9012 4.9012 5.0216 5.0216 5.2170 5.2170 6.2850 6.2850 8.5226 8.5226 9.0162 9.0162 9.0649 9.0649 9.7348 9.7348 9.7591 9.7591 10.1708 10.1708 10.6382 10.6382 10.8507 10.8507 11.6099 11.6099 11.6409 11.6409 k = 0.0000 0.0000 0.0424 ( 5460 PWs) bands (ev): -18.1598 -18.1598 -18.1389 -18.1389 -4.9153 -4.9153 -4.7470 -4.7470 -3.2166 -3.2166 -2.7526 -2.7526 -2.6985 -2.6985 -2.6487 -2.6487 -0.6615 -0.6615 0.2295 0.2295 3.8009 3.8009 3.9705 3.9705 4.1514 4.1514 4.3257 4.3257 4.3952 4.3952 4.5923 4.5923 4.8386 4.8386 4.9027 4.9027 5.0197 5.0197 5.2090 5.2090 6.3073 6.3073 8.4877 8.4877 9.0214 9.0214 9.0701 9.0701 9.7246 9.7246 9.7495 9.7495 10.1950 10.1950 10.6578 10.6578 10.8483 10.8483 11.6206 11.6206 11.6522 11.6522 k = 0.0000 0.0000 0.0566 ( 5460 PWs) bands (ev): -18.1596 -18.1596 -18.1391 -18.1391 -4.9128 -4.9128 -4.7490 -4.7490 -3.2124 -3.2124 -2.7622 -2.7622 -2.6978 -2.6978 -2.6494 -2.6494 -0.6468 -0.6468 0.2188 0.2188 3.8032 3.8032 3.9682 3.9682 4.1538 4.1538 4.3232 4.3232 4.3973 4.3973 4.5886 4.5886 4.8409 4.8409 4.9048 4.9048 5.0170 5.0170 5.1985 5.1985 6.3378 6.3378 8.4411 8.4411 9.0287 9.0287 9.0773 9.0773 9.7107 9.7107 9.7364 9.7364 10.2256 10.2256 10.6860 10.6860 10.8450 10.8450 11.6355 11.6355 11.6681 11.6681 k = 0.0000 0.0000 0.0707 ( 5454 PWs) bands (ev): -18.1592 -18.1592 -18.1395 -18.1395 -4.9095 -4.9095 -4.7515 -4.7515 -3.2070 -3.2070 -2.7742 -2.7742 -2.6970 -2.6970 -2.6503 -2.6503 -0.6283 -0.6283 0.2051 0.2051 3.8061 3.8061 3.9652 3.9652 4.1567 4.1567 4.3201 4.3201 4.3999 4.3999 4.5840 4.5840 4.8439 4.8439 4.9074 4.9074 5.0138 5.0138 5.1859 5.1859 6.3759 6.3759 8.3845 8.3845 9.0381 9.0381 9.0865 9.0865 9.6934 9.6934 9.7200 9.7200 10.2604 10.2604 10.7234 10.7234 10.8406 10.8406 11.6547 11.6547 11.6885 11.6885 k = 0.0000 0.0000 0.0849 ( 5454 PWs) bands (ev): -18.1588 -18.1588 -18.1399 -18.1399 -4.9056 -4.9056 -4.7545 -4.7545 -3.2005 -3.2005 -2.7883 -2.7883 -2.6960 -2.6960 -2.6513 -2.6513 -0.6062 -0.6062 0.1886 0.1886 3.8096 3.8096 3.9617 3.9617 4.1603 4.1603 4.3163 4.3163 4.4031 4.4031 4.5785 4.5785 4.8474 4.8474 4.9106 4.9106 5.0098 5.0098 5.1718 5.1718 6.4209 6.4209 8.3198 8.3198 9.0494 9.0494 9.0978 9.0978 9.6730 9.6730 9.7007 9.7007 10.2971 10.2971 10.7703 10.7703 10.8352 10.8352 11.6781 11.6781 11.7134 11.7134 k = 0.0000 0.0000 0.0990 ( 5454 PWs) bands (ev): -18.1583 -18.1583 -18.1405 -18.1405 -4.9010 -4.9010 -4.7581 -4.7581 -3.1927 -3.1927 -2.8044 -2.8044 -2.6948 -2.6948 -2.6526 -2.6526 -0.5809 -0.5809 0.1693 0.1693 3.8137 3.8137 3.9575 3.9575 4.1644 4.1644 4.3119 4.3119 4.4068 4.4068 4.5722 4.5722 4.8515 4.8515 4.9144 4.9144 5.0051 5.0051 5.1567 5.1567 6.4720 6.4720 8.2484 8.2484 9.0627 9.0627 9.1109 9.1109 9.6498 9.6498 9.6787 9.6787 10.3339 10.3339 10.8266 10.8266 10.8285 10.8285 11.7058 11.7058 11.7428 11.7428 k = 0.0000 0.0000 0.1132 ( 5460 PWs) bands (ev): -18.1577 -18.1577 -18.1410 -18.1410 -4.8959 -4.8959 -4.7622 -4.7622 -3.1838 -3.1838 -2.8222 -2.8222 -2.6934 -2.6934 -2.6539 -2.6539 -0.5526 -0.5526 0.1474 0.1474 3.8183 3.8183 3.9528 3.9528 4.1691 4.1691 4.3070 4.3070 4.4111 4.4111 4.5652 4.5652 4.8562 4.8562 4.9189 4.9189 4.9998 4.9998 5.1409 5.1409 6.5288 6.5288 8.1717 8.1717 9.0779 9.0779 9.1259 9.1259 9.6243 9.6243 9.6546 9.6546 10.3699 10.3699 10.8207 10.8207 10.8919 10.8919 11.7377 11.7377 11.7766 11.7766 k = 0.0000 0.0000 0.1273 ( 5460 PWs) bands (ev): -18.1570 -18.1570 -18.1417 -18.1417 -4.8903 -4.8903 -4.7668 -4.7668 -3.1736 -3.1736 -2.8412 -2.8412 -2.6919 -2.6919 -2.6555 -2.6555 -0.5217 -0.5217 0.1229 0.1229 3.8234 3.8234 3.9476 3.9476 4.1744 4.1744 4.3015 4.3015 4.4158 4.4158 4.5576 4.5576 4.8615 4.8615 4.9240 4.9240 4.9940 4.9940 5.1249 5.1249 6.5905 6.5905 8.0909 8.0909 9.0950 9.0950 9.1427 9.1427 9.5969 9.5969 9.6285 9.6285 10.4045 10.4045 10.8115 10.8115 10.9653 10.9653 11.7739 11.7739 11.8149 11.8149 k = 0.0000 0.0000 0.1415 ( 5448 PWs) bands (ev): -18.1563 -18.1563 -18.1424 -18.1424 -4.8841 -4.8841 -4.7719 -4.7719 -3.1623 -3.1623 -2.8614 -2.8614 -2.6903 -2.6903 -2.6572 -2.6572 -0.4886 -0.4886 0.0961 0.0961 3.8291 3.8291 3.9419 3.9419 4.1801 4.1801 4.2956 4.2956 4.4211 4.4211 4.5495 4.5495 4.8673 4.8673 4.9296 4.9296 4.9877 4.9877 5.1088 5.1088 6.6567 6.6567 8.0070 8.0070 9.1138 9.1138 9.1612 9.1612 9.5679 9.5679 9.6009 9.6009 10.4377 10.4377 10.8010 10.8010 11.0457 11.0457 11.8142 11.8142 11.8575 11.8575 k = 0.0000 0.0000 0.1556 ( 5460 PWs) bands (ev): -18.1556 -18.1556 -18.1431 -18.1431 -4.8776 -4.8776 -4.7774 -4.7774 -3.1498 -3.1498 -2.8823 -2.8823 -2.6885 -2.6885 -2.6590 -2.6590 -0.4536 -0.4536 0.0671 0.0671 3.8351 3.8351 3.9357 3.9357 4.1863 4.1863 4.2893 4.2893 4.4268 4.4268 4.5409 4.5409 4.8735 4.8735 4.9359 4.9359 4.9808 4.9808 5.0930 5.0930 6.7268 6.7268 7.9207 7.9207 9.1344 9.1344 9.1814 9.1814 9.5378 9.5378 9.5721 9.5721 10.4696 10.4696 10.7890 10.7890 11.1319 11.1319 11.8587 11.8587 11.9046 11.9046 k = 0.0000 0.0000 0.1698 ( 5466 PWs) bands (ev): -18.1548 -18.1548 -18.1439 -18.1439 -4.8707 -4.8707 -4.7834 -4.7834 -3.1361 -3.1361 -2.9038 -2.9038 -2.6867 -2.6867 -2.6609 -2.6609 -0.4169 -0.4169 0.0361 0.0361 3.8415 3.8415 3.9292 3.9292 4.1928 4.1928 4.2826 4.2826 4.4330 4.4330 4.5321 4.5321 4.8801 4.8801 4.9428 4.9428 4.9737 4.9737 5.0775 5.0775 6.8005 6.8005 7.8327 7.8327 9.1565 9.1565 9.2032 9.2032 9.5067 9.5067 9.5424 9.5424 10.5002 10.5002 10.7755 10.7755 11.2228 11.2228 11.9074 11.9074 11.9560 11.9560 k = 0.0000 0.0000 0.1839 ( 5478 PWs) bands (ev): -18.1540 -18.1540 -18.1448 -18.1448 -4.8635 -4.8635 -4.7897 -4.7897 -3.1213 -3.1213 -2.9257 -2.9257 -2.6847 -2.6847 -2.6629 -2.6629 -0.3791 -0.3791 0.0032 0.0032 3.8483 3.8483 3.9223 3.9223 4.1997 4.1997 4.2755 4.2755 4.4396 4.4396 4.5231 4.5231 4.8871 4.8871 4.9503 4.9503 4.9662 4.9662 5.0626 5.0626 6.8773 6.8773 7.7435 7.7435 9.1802 9.1802 9.2264 9.2264 9.4751 9.4751 9.5121 9.5121 10.5298 10.5298 10.7604 10.7604 11.3176 11.3176 11.9600 11.9600 12.0116 12.0116 k = 0.0000 0.0000 0.1981 ( 5484 PWs) bands (ev): -18.1531 -18.1531 -18.1456 -18.1456 -4.8561 -4.8561 -4.7963 -4.7963 -3.1054 -3.1054 -2.9475 -2.9475 -2.6826 -2.6826 -2.6650 -2.6650 -0.3403 -0.3403 -0.0314 -0.0314 3.8553 3.8553 3.9152 3.9152 4.2069 4.2069 4.2682 4.2682 4.4466 4.4466 4.5140 4.5140 4.8944 4.8944 4.9584 4.9584 4.9585 4.9585 5.0483 5.0483 6.9569 6.9569 7.6538 7.6538 9.2054 9.2054 9.2510 9.2510 9.4433 9.4433 9.4816 9.4816 10.5584 10.5584 10.7438 10.7438 11.4153 11.4153 12.0160 12.0160 12.0714 12.0714 k = 0.0000 0.0000 0.2122 ( 5496 PWs) bands (ev): -18.1522 -18.1522 -18.1465 -18.1465 -4.8485 -4.8485 -4.8033 -4.8033 -3.0885 -3.0885 -2.9693 -2.9693 -2.6805 -2.6805 -2.6671 -2.6671 -0.3009 -0.3009 -0.0674 -0.0674 3.8625 3.8625 3.9079 3.9079 4.2143 4.2143 4.2607 4.2607 4.4540 4.4540 4.5049 4.5049 4.9020 4.9020 4.9505 4.9505 4.9673 4.9673 5.0347 5.0347 7.0388 7.0388 7.5638 7.5638 9.2319 9.2319 9.2768 9.2768 9.4114 9.4114 9.4509 9.4509 10.5859 10.5859 10.7256 10.7256 11.5153 11.5153 12.0707 12.0707 12.1353 12.1353 k = 0.0000 0.0000 0.2264 ( 5502 PWs) bands (ev): -18.1513 -18.1513 -18.1475 -18.1475 -4.8409 -4.8409 -4.8105 -4.8105 -3.0706 -3.0706 -2.9908 -2.9908 -2.6783 -2.6783 -2.6693 -2.6693 -0.2612 -0.2612 -0.1047 -0.1047 3.8699 3.8699 3.9004 3.9004 4.2219 4.2219 4.2530 4.2530 4.4618 4.4618 4.4959 4.4959 4.9099 4.9099 4.9423 4.9423 4.9768 4.9768 5.0217 5.0217 7.1229 7.1229 7.4739 7.4739 9.2596 9.2596 9.3038 9.3038 9.3798 9.3798 9.4204 9.4204 10.6124 10.6124 10.7058 10.7058 11.6170 11.6170 12.0280 12.0280 12.1509 12.1509 k = 0.0000 0.0000 0.2405 ( 5514 PWs) bands (ev): -18.1504 -18.1504 -18.1484 -18.1484 -4.8332 -4.8332 -4.8179 -4.8179 -3.0518 -3.0518 -3.0117 -3.0117 -2.6761 -2.6761 -2.6716 -2.6716 -0.2214 -0.2214 -0.1429 -0.1429 3.8775 3.8775 3.8928 3.8928 4.2296 4.2296 4.2452 4.2452 4.4699 4.4699 4.4870 4.4870 4.9179 4.9179 4.9342 4.9342 4.9870 4.9870 5.0094 5.0094 7.2088 7.2088 7.3846 7.3846 9.2884 9.2884 9.3318 9.3318 9.3487 9.3487 9.3903 9.3903 10.6377 10.6377 10.6845 10.6845 11.7199 11.7199 11.9269 11.9269 12.2171 12.2171 k = 0.0000 0.0000 0.2546 ( 5532 PWs) bands (ev): -18.1497 -18.1497 -18.1491 -18.1491 -4.8258 -4.8258 -4.8252 -4.8252 -3.0324 -3.0324 -3.0319 -3.0319 -2.6741 -2.6741 -2.6735 -2.6735 -0.1819 -0.1819 -0.1819 -0.1819 3.8851 3.8851 3.8851 3.8851 4.2374 4.2374 4.2374 4.2374 4.4783 4.4783 4.4783 4.4783 4.9260 4.9260 4.9260 4.9260 4.9978 4.9978 4.9978 4.9978 7.2961 7.2961 7.2961 7.2961 9.3181 9.3181 9.3181 9.3181 9.3606 9.3606 9.3607 9.3607 10.6618 10.6618 10.6618 10.6618 11.8233 11.8233 11.8235 11.8235 12.2896 12.2897 k = 0.0000 0.0000 0.2546 ( 5532 PWs) bands (ev): -18.1497 -18.1497 -18.1491 -18.1491 -4.8258 -4.8258 -4.8252 -4.8252 -3.0324 -3.0324 -3.0319 -3.0319 -2.6741 -2.6741 -2.6735 -2.6735 -0.1819 -0.1819 -0.1819 -0.1819 3.8851 3.8851 3.8851 3.8851 4.2374 4.2374 4.2374 4.2374 4.4783 4.4783 4.4783 4.4783 4.9260 4.9260 4.9260 4.9260 4.9978 4.9978 4.9978 4.9978 7.2961 7.2961 7.2961 7.2961 9.3181 9.3181 9.3181 9.3181 9.3606 9.3606 9.3607 9.3607 10.6618 10.6618 10.6618 10.6618 11.8233 11.8233 11.8235 11.8235 12.2896 12.2897 k = 0.0122 0.0070 0.2546 ( 5502 PWs) bands (ev): -18.1496 -18.1496 -18.1491 -18.1491 -4.8259 -4.8259 -4.8254 -4.8254 -3.0324 -3.0324 -3.0319 -3.0319 -2.6746 -2.6746 -2.6741 -2.6741 -0.1815 -0.1815 -0.1815 -0.1815 3.8855 3.8855 3.8856 3.8856 4.2378 4.2378 4.2378 4.2378 4.4784 4.4784 4.4784 4.4784 4.9253 4.9253 4.9253 4.9253 4.9986 4.9986 4.9987 4.9987 7.2973 7.2973 7.2973 7.2973 9.3099 9.3099 9.3100 9.3100 9.3542 9.3542 9.3543 9.3543 10.6718 10.6718 10.6718 10.6718 11.8182 11.8182 11.8185 11.8185 12.2903 12.2906 k = 0.0244 0.0141 0.2546 ( 5498 PWs) bands (ev): -18.1495 -18.1495 -18.1489 -18.1489 -4.8262 -4.8262 -4.8257 -4.8257 -3.0323 -3.0323 -3.0319 -3.0319 -2.6762 -2.6762 -2.6756 -2.6756 -0.1803 -0.1803 -0.1803 -0.1803 3.8867 3.8867 3.8867 3.8867 4.2388 4.2388 4.2388 4.2388 4.4786 4.4786 4.4786 4.4786 4.9234 4.9234 4.9234 4.9234 5.0010 5.0010 5.0010 5.0010 7.3009 7.3009 7.3009 7.3009 9.2818 9.2818 9.2819 9.2819 9.3397 9.3397 9.3398 9.3398 10.7005 10.7005 10.7005 10.7005 11.8037 11.8037 11.8040 11.8040 12.2922 12.2922 k = 0.0366 0.0211 0.2546 ( 5486 PWs) bands (ev): -18.1493 -18.1493 -18.1487 -18.1487 -4.8267 -4.8267 -4.8262 -4.8262 -3.0323 -3.0323 -3.0318 -3.0318 -2.6787 -2.6787 -2.6782 -2.6782 -0.1783 -0.1783 -0.1783 -0.1783 3.8886 3.8886 3.8886 3.8886 4.2405 4.2405 4.2405 4.2405 4.4789 4.4789 4.4789 4.4789 4.9205 4.9205 4.9205 4.9205 5.0046 5.0046 5.0047 5.0047 7.3067 7.3067 7.3068 7.3068 9.2316 9.2316 9.2317 9.2317 9.3226 9.3226 9.3226 9.3226 10.7449 10.7449 10.7449 10.7449 11.7816 11.7816 11.7819 11.7819 12.2934 12.2936 k = 0.0488 0.0282 0.2546 ( 5492 PWs) bands (ev): -18.1490 -18.1490 -18.1484 -18.1484 -4.8275 -4.8275 -4.8270 -4.8270 -3.0323 -3.0323 -3.0318 -3.0318 -2.6823 -2.6823 -2.6818 -2.6818 -0.1756 -0.1756 -0.1756 -0.1756 3.8913 3.8913 3.8913 3.8913 4.2428 4.2428 4.2428 4.2428 4.4793 4.4793 4.4794 4.4794 4.9168 4.9168 4.9168 4.9168 5.0093 5.0093 5.0093 5.0093 7.3148 7.3148 7.3148 7.3148 9.1635 9.1635 9.1636 9.1636 9.3024 9.3024 9.3024 9.3024 10.8009 10.8009 10.8009 10.8009 11.7542 11.7542 11.7544 11.7544 12.2911 12.2912 k = 0.0610 0.0352 0.2546 ( 5494 PWs) bands (ev): -18.1486 -18.1486 -18.1480 -18.1480 -4.8284 -4.8284 -4.8279 -4.8279 -3.0323 -3.0323 -3.0318 -3.0318 -2.6868 -2.6868 -2.6862 -2.6862 -0.1721 -0.1721 -0.1721 -0.1721 3.8946 3.8946 3.8947 3.8947 4.2458 4.2458 4.2458 4.2458 4.4800 4.4800 4.4800 4.4800 4.9126 4.9126 4.9126 4.9126 5.0147 5.0147 5.0148 5.0148 7.3248 7.3248 7.3248 7.3248 9.0825 9.0825 9.0825 9.0825 9.2782 9.2782 9.2783 9.2783 10.8644 10.8644 10.8644 10.8644 11.7236 11.7236 11.7238 11.7238 12.2815 12.2815 k = 0.0732 0.0422 0.2546 ( 5482 PWs) bands (ev): -18.1481 -18.1481 -18.1476 -18.1476 -4.8296 -4.8296 -4.8291 -4.8291 -3.0323 -3.0323 -3.0318 -3.0318 -2.6921 -2.6921 -2.6916 -2.6916 -0.1680 -0.1680 -0.1680 -0.1680 3.8988 3.8988 3.8988 3.8988 4.2495 4.2495 4.2495 4.2495 4.4808 4.4808 4.4808 4.4808 4.9083 4.9083 4.9083 4.9083 5.0207 5.0207 5.0208 5.0208 7.3365 7.3365 7.3365 7.3365 8.9923 8.9923 8.9924 8.9924 9.2499 9.2499 9.2500 9.2500 10.9314 10.9314 10.9314 10.9314 11.6919 11.6919 11.6921 11.6921 12.2633 12.2634 k = 0.0854 0.0493 0.2546 ( 5480 PWs) bands (ev): -18.1476 -18.1476 -18.1470 -18.1470 -4.8310 -4.8310 -4.8305 -4.8305 -3.0323 -3.0323 -3.0318 -3.0318 -2.6983 -2.6983 -2.6978 -2.6978 -0.1632 -0.1632 -0.1632 -0.1632 3.9037 3.9037 3.9037 3.9037 4.2538 4.2538 4.2538 4.2538 4.4818 4.4818 4.4818 4.4818 4.9038 4.9038 4.9038 4.9038 5.0271 5.0271 5.0271 5.0271 7.3495 7.3495 7.3495 7.3495 8.8959 8.8959 8.8960 8.8960 9.2174 9.2174 9.2175 9.2175 10.9978 10.9978 10.9979 10.9979 11.6613 11.6613 11.6615 11.6615 12.2389 12.2389 k = 0.0976 0.0563 0.2546 ( 5484 PWs) bands (ev): -18.1470 -18.1470 -18.1464 -18.1464 -4.8326 -4.8326 -4.8320 -4.8320 -3.0324 -3.0324 -3.0319 -3.0319 -2.7052 -2.7052 -2.7046 -2.7046 -0.1578 -0.1578 -0.1578 -0.1578 3.9092 3.9092 3.9092 3.9092 4.2587 4.2587 4.2587 4.2587 4.4830 4.4830 4.4830 4.4830 4.8994 4.8994 4.8994 4.8994 5.0338 5.0338 5.0338 5.0338 7.3633 7.3633 7.3634 7.3634 8.7957 8.7957 8.7958 8.7958 9.1811 9.1811 9.1811 9.1811 11.0593 11.0593 11.0594 11.0594 11.6345 11.6345 11.6347 11.6347 12.2119 12.2120 k = 0.1098 0.0634 0.2546 ( 5488 PWs) bands (ev): -18.1463 -18.1463 -18.1458 -18.1458 -4.8344 -4.8344 -4.8338 -4.8338 -3.0325 -3.0325 -3.0320 -3.0320 -2.7127 -2.7127 -2.7122 -2.7122 -0.1519 -0.1519 -0.1518 -0.1518 3.9155 3.9155 3.9155 3.9155 4.2642 4.2642 4.2642 4.2642 4.4844 4.4844 4.4845 4.4845 4.8950 4.8950 4.8950 4.8950 5.0407 5.0407 5.0407 5.0407 7.3774 7.3774 7.3775 7.3775 8.6937 8.6937 8.6938 8.6938 9.1410 9.1410 9.1411 9.1411 11.1104 11.1104 11.1104 11.1104 11.6149 11.6149 11.6151 11.6151 12.1863 12.1865 k = 0.1220 0.0704 0.2546 ( 5482 PWs) bands (ev): -18.1456 -18.1456 -18.1450 -18.1450 -4.8364 -4.8364 -4.8358 -4.8358 -3.0327 -3.0327 -3.0322 -3.0322 -2.7207 -2.7207 -2.7202 -2.7202 -0.1454 -0.1454 -0.1454 -0.1454 3.9225 3.9225 3.9225 3.9225 4.2704 4.2704 4.2704 4.2704 4.4862 4.4862 4.4862 4.4862 4.8909 4.8909 4.8909 4.8909 5.0477 5.0477 5.0478 5.0478 7.3909 7.3909 7.3910 7.3910 8.5917 8.5917 8.5917 8.5917 9.0977 9.0977 9.0978 9.0978 11.1448 11.1448 11.1449 11.1449 11.6069 11.6069 11.6070 11.6070 12.1659 12.1660 k = 0.1341 0.0774 0.2546 ( 5488 PWs) bands (ev): -18.1448 -18.1448 -18.1442 -18.1442 -4.8386 -4.8386 -4.8380 -4.8380 -3.0330 -3.0330 -3.0326 -3.0326 -2.7292 -2.7292 -2.7287 -2.7287 -0.1386 -0.1386 -0.1386 -0.1386 3.9301 3.9301 3.9301 3.9301 4.2771 4.2771 4.2771 4.2771 4.4883 4.4883 4.4883 4.4883 4.8870 4.8870 4.8870 4.8870 5.0549 5.0549 5.0549 5.0549 7.4028 7.4028 7.4028 7.4028 8.4916 8.4916 8.4916 8.4916 9.0515 9.0515 9.0515 9.0515 11.1576 11.1576 11.1577 11.1577 11.6132 11.6132 11.6133 11.6133 12.1541 12.1542 k = 0.1463 0.0845 0.2546 ( 5494 PWs) bands (ev): -18.1439 -18.1439 -18.1433 -18.1433 -4.8410 -4.8410 -4.8404 -4.8404 -3.0335 -3.0335 -3.0330 -3.0330 -2.7380 -2.7380 -2.7375 -2.7375 -0.1314 -0.1314 -0.1314 -0.1314 3.9385 3.9385 3.9385 3.9385 4.2843 4.2843 4.2843 4.2843 4.4908 4.4908 4.4908 4.4908 4.8834 4.8834 4.8834 4.8834 5.0621 5.0621 5.0621 5.0621 7.4114 7.4114 7.4114 7.4114 8.3953 8.3953 8.3954 8.3954 9.0026 9.0026 9.0027 9.0027 11.1484 11.1484 11.1485 11.1485 11.6320 11.6320 11.6321 11.6321 12.1544 12.1544 k = 0.1585 0.0915 0.2546 ( 5490 PWs) bands (ev): -18.1430 -18.1430 -18.1424 -18.1424 -4.8435 -4.8435 -4.8430 -4.8430 -3.0341 -3.0341 -3.0336 -3.0336 -2.7470 -2.7470 -2.7464 -2.7464 -0.1239 -0.1239 -0.1239 -0.1239 3.9475 3.9475 3.9475 3.9475 4.2920 4.2920 4.2920 4.2920 4.4938 4.4938 4.4938 4.4938 4.8802 4.8802 4.8802 4.8802 5.0693 5.0693 5.0693 5.0693 7.4147 7.4147 7.4148 7.4148 8.3054 8.3054 8.3055 8.3055 8.9516 8.9516 8.9516 8.9516 11.1213 11.1213 11.1214 11.1214 11.6573 11.6573 11.6574 11.6574 12.1695 12.1696 k = 0.1707 0.0986 0.2546 ( 5486 PWs) bands (ev): -18.1420 -18.1420 -18.1415 -18.1415 -4.8463 -4.8463 -4.8458 -4.8458 -3.0349 -3.0349 -3.0345 -3.0345 -2.7560 -2.7560 -2.7555 -2.7555 -0.1161 -0.1161 -0.1161 -0.1161 3.9572 3.9572 3.9572 3.9572 4.3001 4.3001 4.3001 4.3001 4.4972 4.4972 4.4972 4.4972 4.8772 4.8772 4.8772 4.8772 5.0765 5.0765 5.0765 5.0765 7.4104 7.4104 7.4104 7.4104 8.2247 8.2247 8.2248 8.2248 8.8987 8.8987 8.8987 8.8987 11.0817 11.0817 11.0818 11.0818 11.6829 11.6829 11.6830 11.6830 12.2011 12.2012 k = 0.1829 0.1056 0.2546 ( 5492 PWs) bands (ev): -18.1410 -18.1410 -18.1405 -18.1405 -4.8492 -4.8492 -4.8487 -4.8487 -3.0360 -3.0360 -3.0355 -3.0355 -2.7650 -2.7650 -2.7645 -2.7645 -0.1082 -0.1082 -0.1082 -0.1082 3.9675 3.9675 3.9676 3.9676 4.3085 4.3085 4.3085 4.3085 4.5012 4.5012 4.5012 4.5012 4.8746 4.8746 4.8746 4.8746 5.0836 5.0836 5.0837 5.0837 7.3952 7.3952 7.3953 7.3953 8.1564 8.1564 8.1564 8.1564 8.8443 8.8443 8.8443 8.8443 11.0341 11.0341 11.0342 11.0342 11.7051 11.7051 11.7051 11.7051 12.2487 12.2488 k = 0.1951 0.1127 0.2546 ( 5492 PWs) bands (ev): -18.1400 -18.1400 -18.1394 -18.1394 -4.8523 -4.8523 -4.8518 -4.8518 -3.0373 -3.0373 -3.0369 -3.0369 -2.7739 -2.7739 -2.7734 -2.7734 -0.1002 -0.1002 -0.1002 -0.1002 3.9786 3.9786 3.9786 3.9786 4.3171 4.3171 4.3171 4.3171 4.5058 4.5058 4.5058 4.5058 4.8723 4.8723 4.8724 4.8724 5.0907 5.0907 5.0907 5.0907 7.3668 7.3668 7.3668 7.3668 8.1031 8.1031 8.1032 8.1032 8.7887 8.7887 8.7887 8.7887 10.9817 10.9817 10.9818 10.9818 11.7232 11.7232 11.7232 11.7232 12.3102 12.3102 k = 0.2073 0.1197 0.2546 ( 5492 PWs) bands (ev): -18.1389 -18.1389 -18.1384 -18.1384 -4.8556 -4.8556 -4.8550 -4.8550 -3.0389 -3.0389 -3.0385 -3.0385 -2.7824 -2.7824 -2.7820 -2.7820 -0.0921 -0.0921 -0.0920 -0.0920 3.9903 3.9903 3.9903 3.9903 4.3259 4.3259 4.3259 4.3259 4.5111 4.5111 4.5111 4.5111 4.8704 4.8704 4.8704 4.8704 5.0976 5.0976 5.0977 5.0977 7.3235 7.3235 7.3236 7.3236 8.0664 8.0664 8.0665 8.0665 8.7323 8.7323 8.7324 8.7324 10.9267 10.9267 10.9269 10.9269 11.7380 11.7380 11.7381 11.7381 12.3826 12.3827 k = 0.2195 0.1267 0.2546 ( 5494 PWs) bands (ev): -18.1378 -18.1378 -18.1373 -18.1373 -4.8589 -4.8589 -4.8584 -4.8584 -3.0409 -3.0409 -3.0405 -3.0405 -2.7906 -2.7906 -2.7902 -2.7902 -0.0839 -0.0839 -0.0839 -0.0839 4.0026 4.0026 4.0026 4.0026 4.3348 4.3348 4.3348 4.3348 4.5172 4.5172 4.5172 4.5172 4.8688 4.8688 4.8688 4.8688 5.1045 5.1045 5.1045 5.1045 7.2662 7.2662 7.2663 7.2663 8.0457 8.0457 8.0457 8.0457 8.6755 8.6755 8.6755 8.6755 10.8707 10.8707 10.8709 10.8709 11.7510 11.7510 11.7511 11.7511 12.4633 12.4633 k = 0.2317 0.1338 0.2546 ( 5492 PWs) bands (ev): -18.1367 -18.1367 -18.1362 -18.1362 -4.8624 -4.8624 -4.8619 -4.8619 -3.0433 -3.0433 -3.0429 -3.0429 -2.7984 -2.7984 -2.7979 -2.7979 -0.0758 -0.0758 -0.0758 -0.0758 4.0156 4.0156 4.0156 4.0156 4.3435 4.3435 4.3435 4.3435 4.5242 4.5242 4.5242 4.5242 4.8675 4.8675 4.8675 4.8675 5.1111 5.1111 5.1112 5.1112 7.1973 7.1973 7.1973 7.1973 8.0385 8.0385 8.0386 8.0386 8.6184 8.6184 8.6184 8.6184 10.8149 10.8149 10.8151 10.8151 11.7632 11.7632 11.7633 11.7633 12.5499 12.5500 k = 0.2439 0.1408 0.2546 ( 5476 PWs) bands (ev): -18.1356 -18.1356 -18.1350 -18.1350 -4.8660 -4.8660 -4.8654 -4.8654 -3.0461 -3.0461 -3.0456 -3.0456 -2.8055 -2.8055 -2.8051 -2.8051 -0.0678 -0.0678 -0.0678 -0.0678 4.0292 4.0292 4.0293 4.0293 4.3521 4.3521 4.3521 4.3521 4.5320 4.5320 4.5320 4.5320 4.8666 4.8666 4.8666 4.8666 5.1176 5.1176 5.1177 5.1177 7.1196 7.1196 7.1197 7.1197 8.0418 8.0418 8.0419 8.0419 8.5615 8.5615 8.5615 8.5615 10.7601 10.7601 10.7603 10.7603 11.7754 11.7754 11.7755 11.7755 12.6407 12.6408 k = 0.2561 0.1479 0.2546 ( 5486 PWs) bands (ev): -18.1345 -18.1345 -18.1339 -18.1339 -4.8696 -4.8696 -4.8691 -4.8691 -3.0492 -3.0492 -3.0488 -3.0488 -2.8121 -2.8121 -2.8116 -2.8116 -0.0599 -0.0599 -0.0599 -0.0599 4.0435 4.0435 4.0435 4.0435 4.3603 4.3603 4.3604 4.3604 4.5407 4.5407 4.5408 4.5408 4.8660 4.8660 4.8660 4.8660 5.1239 5.1239 5.1239 5.1239 7.0362 7.0362 7.0363 7.0363 8.0528 8.0528 8.0528 8.0528 8.5050 8.5050 8.5050 8.5050 10.7071 10.7071 10.7073 10.7073 11.7878 11.7878 11.7879 11.7879 12.7343 12.7344 k = 0.2683 0.1549 0.2546 ( 5488 PWs) bands (ev): -18.1333 -18.1333 -18.1328 -18.1328 -4.8733 -4.8733 -4.8728 -4.8728 -3.0528 -3.0528 -3.0524 -3.0524 -2.8180 -2.8180 -2.8175 -2.8175 -0.0522 -0.0522 -0.0522 -0.0522 4.0583 4.0583 4.0583 4.0583 4.3682 4.3682 4.3682 4.3682 4.5504 4.5504 4.5504 4.5504 4.8656 4.8656 4.8656 4.8656 5.1300 5.1300 5.1300 5.1300 6.9494 6.9494 6.9495 6.9495 8.0689 8.0689 8.0689 8.0689 8.4493 8.4493 8.4493 8.4493 10.6563 10.6563 10.6565 10.6565 11.8006 11.8006 11.8007 11.8007 12.8299 12.8299 k = 0.2805 0.1619 0.2546 ( 5492 PWs) bands (ev): -18.1322 -18.1322 -18.1317 -18.1317 -4.8770 -4.8770 -4.8765 -4.8765 -3.0567 -3.0567 -3.0563 -3.0563 -2.8232 -2.8232 -2.8227 -2.8227 -0.0447 -0.0447 -0.0447 -0.0447 4.0737 4.0737 4.0737 4.0737 4.3756 4.3756 4.3756 4.3756 4.5610 4.5610 4.5610 4.5610 4.8656 4.8656 4.8656 4.8656 5.1359 5.1359 5.1359 5.1359 6.8609 6.8609 6.8610 6.8610 8.0883 8.0883 8.0883 8.0883 8.3945 8.3945 8.3946 8.3946 10.6082 10.6082 10.6084 10.6084 11.8138 11.8138 11.8139 11.8139 12.9265 12.9266 k = 0.2927 0.1690 0.2546 ( 5500 PWs) bands (ev): -18.1311 -18.1311 -18.1306 -18.1306 -4.8808 -4.8808 -4.8802 -4.8802 -3.0610 -3.0610 -3.0605 -3.0605 -2.8277 -2.8277 -2.8272 -2.8272 -0.0374 -0.0374 -0.0374 -0.0374 4.0896 4.0896 4.0896 4.0896 4.3825 4.3825 4.3825 4.3825 4.5724 4.5724 4.5725 4.5725 4.8658 4.8658 4.8658 4.8658 5.1415 5.1415 5.1415 5.1415 6.7721 6.7721 6.7722 6.7722 8.1096 8.1096 8.1096 8.1096 8.3413 8.3413 8.3413 8.3413 10.5632 10.5632 10.5634 10.5634 11.8272 11.8272 11.8273 11.8273 13.0236 13.0237 k = 0.3049 0.1760 0.2546 ( 5500 PWs) bands (ev): -18.1301 -18.1301 -18.1295 -18.1295 -4.8845 -4.8845 -4.8839 -4.8839 -3.0655 -3.0655 -3.0650 -3.0650 -2.8315 -2.8315 -2.8310 -2.8310 -0.0304 -0.0304 -0.0304 -0.0304 4.1059 4.1059 4.1059 4.1059 4.3889 4.3889 4.3889 4.3889 4.5847 4.5847 4.5847 4.5847 4.8664 4.8664 4.8664 4.8664 5.1469 5.1469 5.1469 5.1469 6.6840 6.6840 6.6840 6.6840 8.1314 8.1314 8.1315 8.1315 8.2900 8.2900 8.2900 8.2900 10.5215 10.5215 10.5217 10.5217 11.8406 11.8406 11.8407 11.8407 13.1206 13.1206 k = 0.3171 0.1831 0.2546 ( 5510 PWs) bands (ev): -18.1290 -18.1290 -18.1285 -18.1285 -4.8881 -4.8881 -4.8876 -4.8876 -3.0702 -3.0702 -3.0698 -3.0698 -2.8347 -2.8347 -2.8342 -2.8342 -0.0236 -0.0236 -0.0236 -0.0236 4.1226 4.1226 4.1226 4.1226 4.3948 4.3948 4.3948 4.3948 4.5975 4.5975 4.5975 4.5975 4.8672 4.8672 4.8672 4.8672 5.1521 5.1521 5.1521 5.1521 6.5972 6.5972 6.5972 6.5972 8.1518 8.1518 8.1518 8.1518 8.2422 8.2422 8.2423 8.2423 10.4832 10.4832 10.4834 10.4834 11.8538 11.8538 11.8539 11.8539 13.2170 13.2170 k = 0.3293 0.1901 0.2546 ( 5514 PWs) bands (ev): -18.1280 -18.1280 -18.1275 -18.1275 -4.8917 -4.8917 -4.8912 -4.8912 -3.0751 -3.0751 -3.0747 -3.0747 -2.8373 -2.8373 -2.8368 -2.8368 -0.0172 -0.0172 -0.0172 -0.0172 4.1395 4.1395 4.1395 4.1395 4.4002 4.4002 4.4002 4.4002 4.6108 4.6108 4.6108 4.6108 4.8684 4.8684 4.8684 4.8684 5.1570 5.1570 5.1571 5.1571 6.5125 6.5125 6.5125 6.5125 8.1605 8.1605 8.1605 8.1605 8.2077 8.2077 8.2077 8.2077 10.4485 10.4485 10.4487 10.4487 11.8664 11.8664 11.8665 11.8665 13.3124 13.3124 k = 0.3415 0.1971 0.2546 ( 5514 PWs) bands (ev): -18.1270 -18.1270 -18.1265 -18.1265 -4.8952 -4.8952 -4.8947 -4.8947 -3.0801 -3.0801 -3.0796 -3.0796 -2.8394 -2.8394 -2.8389 -2.8389 -0.0111 -0.0111 -0.0111 -0.0111 4.1566 4.1566 4.1566 4.1566 4.4052 4.4052 4.4052 4.4052 4.6244 4.6244 4.6245 4.6245 4.8698 4.8698 4.8698 4.8698 5.1618 5.1618 5.1618 5.1618 6.4303 6.4303 6.4303 6.4303 8.1324 8.1324 8.1325 8.1325 8.2114 8.2114 8.2115 8.2115 10.4173 10.4173 10.4175 10.4175 11.8783 11.8783 11.8784 11.8784 13.4064 13.4064 k = 0.3537 0.2042 0.2546 ( 5514 PWs) bands (ev): -18.1261 -18.1261 -18.1256 -18.1256 -4.8986 -4.8986 -4.8980 -4.8980 -3.0850 -3.0850 -3.0846 -3.0846 -2.8410 -2.8410 -2.8405 -2.8405 -0.0054 -0.0054 -0.0054 -0.0054 4.1735 4.1735 4.1736 4.1736 4.4098 4.4098 4.4098 4.4098 4.6382 4.6382 4.6382 4.6382 4.8716 4.8716 4.8716 4.8716 5.1664 5.1664 5.1664 5.1664 6.3511 6.3511 6.3511 6.3511 8.0917 8.0917 8.0917 8.0917 8.2291 8.2291 8.2292 8.2292 10.3898 10.3898 10.3900 10.3900 11.8891 11.8891 11.8892 11.8892 13.4983 13.4984 k = 0.3659 0.2112 0.2546 ( 5510 PWs) bands (ev): -18.1252 -18.1252 -18.1247 -18.1247 -4.9018 -4.9018 -4.9012 -4.9012 -3.0899 -3.0899 -3.0894 -3.0894 -2.8421 -2.8421 -2.8416 -2.8416 -0.0001 -0.0001 -0.0001 -0.0001 4.1903 4.1903 4.1903 4.1903 4.4141 4.4141 4.4141 4.4141 4.6519 4.6519 4.6520 4.6520 4.8737 4.8737 4.8737 4.8737 5.1708 5.1708 5.1708 5.1708 6.2753 6.2753 6.2754 6.2754 8.0513 8.0513 8.0513 8.0513 8.2478 8.2478 8.2478 8.2478 10.3657 10.3657 10.3659 10.3659 11.8987 11.8987 11.8988 11.8988 13.5882 13.5883 k = 0.3780 0.2183 0.2546 ( 5510 PWs) bands (ev): -18.1244 -18.1244 -18.1239 -18.1239 -4.9048 -4.9048 -4.9043 -4.9043 -3.0945 -3.0945 -3.0941 -3.0941 -2.8430 -2.8430 -2.8425 -2.8425 0.0048 0.0048 0.0049 0.0049 4.2066 4.2066 4.2066 4.2066 4.4181 4.4181 4.4181 4.4181 4.6654 4.6654 4.6654 4.6654 4.8761 4.8761 4.8762 4.8762 5.1750 5.1750 5.1750 5.1750 6.2034 6.2034 6.2035 6.2035 8.0130 8.0130 8.0130 8.0130 8.2656 8.2656 8.2656 8.2656 10.3450 10.3450 10.3452 10.3452 11.9070 11.9070 11.9071 11.9071 13.6755 13.6756 k = 0.3902 0.2253 0.2546 ( 5506 PWs) bands (ev): -18.1237 -18.1237 -18.1231 -18.1231 -4.9076 -4.9076 -4.9071 -4.9071 -3.0990 -3.0990 -3.0985 -3.0985 -2.8436 -2.8436 -2.8430 -2.8430 0.0094 0.0094 0.0094 0.0094 4.2222 4.2222 4.2222 4.2222 4.4219 4.4219 4.4219 4.4219 4.6783 4.6783 4.6784 4.6784 4.8789 4.8789 4.8789 4.8789 5.1791 5.1791 5.1791 5.1791 6.1358 6.1358 6.1358 6.1358 7.9775 7.9775 7.9775 7.9775 8.2819 8.2819 8.2820 8.2820 10.3274 10.3274 10.3276 10.3276 11.9139 11.9139 11.9140 11.9140 13.7595 13.7596 k = 0.4024 0.2323 0.2546 ( 5506 PWs) bands (ev): -18.1230 -18.1230 -18.1224 -18.1224 -4.9102 -4.9102 -4.9097 -4.9097 -3.1031 -3.1031 -3.1026 -3.1026 -2.8439 -2.8439 -2.8434 -2.8434 0.0135 0.0135 0.0135 0.0135 4.2369 4.2369 4.2369 4.2369 4.4255 4.4255 4.4255 4.4255 4.6906 4.6906 4.6906 4.6906 4.8819 4.8819 4.8819 4.8819 5.1831 5.1831 5.1831 5.1831 6.0729 6.0729 6.0730 6.0730 7.9450 7.9450 7.9450 7.9450 8.2967 8.2967 8.2967 8.2967 10.3127 10.3127 10.3130 10.3130 11.9194 11.9194 11.9195 11.9195 13.8399 13.8401 k = 0.4146 0.2394 0.2546 ( 5512 PWs) bands (ev): -18.1224 -18.1224 -18.1218 -18.1218 -4.9125 -4.9125 -4.9120 -4.9120 -3.1069 -3.1069 -3.1064 -3.1064 -2.8441 -2.8441 -2.8436 -2.8436 0.0171 0.0171 0.0171 0.0171 4.2505 4.2505 4.2505 4.2505 4.4289 4.4289 4.4289 4.4289 4.7019 4.7019 4.7019 4.7019 4.8851 4.8851 4.8851 4.8851 5.1868 5.1868 5.1868 5.1868 6.0152 6.0152 6.0153 6.0153 7.9158 7.9158 7.9159 7.9159 8.3096 8.3096 8.3097 8.3097 10.3008 10.3008 10.3010 10.3010 11.9237 11.9237 11.9238 11.9238 13.9156 13.9157 k = 0.4268 0.2464 0.2546 ( 5508 PWs) bands (ev): -18.1218 -18.1218 -18.1213 -18.1213 -4.9146 -4.9146 -4.9141 -4.9141 -3.1103 -3.1103 -3.1098 -3.1098 -2.8441 -2.8441 -2.8436 -2.8436 0.0203 0.0203 0.0203 0.0203 4.2626 4.2626 4.2626 4.2626 4.4322 4.4322 4.4322 4.4322 4.7122 4.7122 4.7122 4.7122 4.8885 4.8885 4.8885 4.8885 5.1905 5.1905 5.1905 5.1905 5.9633 5.9633 5.9634 5.9634 7.8901 7.8901 7.8902 7.8902 8.3209 8.3209 8.3209 8.3209 10.2912 10.2912 10.2914 10.2914 11.9268 11.9268 11.9269 11.9269 13.9854 13.9855 k = 0.4390 0.2535 0.2546 ( 5510 PWs) bands (ev): -18.1214 -18.1214 -18.1208 -18.1208 -4.9164 -4.9164 -4.9159 -4.9159 -3.1132 -3.1132 -3.1127 -3.1127 -2.8441 -2.8441 -2.8436 -2.8436 0.0230 0.0230 0.0230 0.0230 4.2732 4.2732 4.2732 4.2732 4.4352 4.4352 4.4352 4.4352 4.7211 4.7211 4.7211 4.7211 4.8919 4.8919 4.8919 4.8919 5.1939 5.1939 5.1939 5.1939 5.9178 5.9178 5.9179 5.9179 7.8681 7.8681 7.8682 7.8682 8.3303 8.3303 8.3303 8.3303 10.2836 10.2836 10.2839 10.2839 11.9289 11.9289 11.9290 11.9290 14.0484 14.0484 k = 0.4512 0.2605 0.2546 ( 5502 PWs) bands (ev): -18.1210 -18.1210 -18.1204 -18.1204 -4.9179 -4.9179 -4.9174 -4.9174 -3.1156 -3.1156 -3.1151 -3.1151 -2.8440 -2.8440 -2.8435 -2.8435 0.0252 0.0252 0.0252 0.0252 4.2820 4.2820 4.2820 4.2820 4.4379 4.4379 4.4379 4.4379 4.7287 4.7287 4.7287 4.7287 4.8951 4.8951 4.8951 4.8951 5.1970 5.1970 5.1970 5.1970 5.8793 5.8793 5.8793 5.8793 7.8499 7.8499 7.8500 7.8500 8.3380 8.3380 8.3380 8.3380 10.2779 10.2779 10.2782 10.2782 11.9303 11.9303 11.9304 11.9304 14.1026 14.1029 k = 0.4634 0.2676 0.2546 ( 5504 PWs) bands (ev): -18.1207 -18.1207 -18.1201 -18.1201 -4.9190 -4.9190 -4.9185 -4.9185 -3.1175 -3.1175 -3.1170 -3.1170 -2.8439 -2.8439 -2.8434 -2.8434 0.0270 0.0270 0.0270 0.0270 4.2890 4.2890 4.2890 4.2890 4.4401 4.4401 4.4401 4.4401 4.7346 4.7346 4.7346 4.7346 4.8979 4.8979 4.8979 4.8979 5.1996 5.1996 5.1996 5.1996 5.8484 5.8484 5.8485 5.8485 7.8356 7.8356 7.8357 7.8357 8.3439 8.3439 8.3439 8.3439 10.2738 10.2738 10.2740 10.2740 11.9311 11.9311 11.9312 11.9312 14.1470 14.1472 k = 0.4756 0.2746 0.2546 ( 5504 PWs) bands (ev): -18.1205 -18.1205 -18.1199 -18.1199 -4.9199 -4.9199 -4.9194 -4.9194 -3.1189 -3.1189 -3.1184 -3.1184 -2.8439 -2.8439 -2.8434 -2.8434 0.0282 0.0282 0.0282 0.0282 4.2940 4.2940 4.2940 4.2940 4.4418 4.4418 4.4418 4.4418 4.7389 4.7389 4.7389 4.7389 4.9001 4.9001 4.9001 4.9001 5.2017 5.2017 5.2017 5.2017 5.8258 5.8258 5.8259 5.8259 7.8254 7.8254 7.8254 7.8254 8.3481 8.3481 8.3481 8.3481 10.2710 10.2710 10.2712 10.2712 11.9316 11.9316 11.9316 11.9316 14.1800 14.1801 k = 0.4878 0.2816 0.2546 ( 5504 PWs) bands (ev): -18.1204 -18.1204 -18.1198 -18.1198 -4.9204 -4.9204 -4.9199 -4.9199 -3.1198 -3.1198 -3.1193 -3.1193 -2.8438 -2.8438 -2.8433 -2.8433 0.0290 0.0290 0.0290 0.0290 4.2970 4.2970 4.2970 4.2970 4.4429 4.4429 4.4429 4.4429 4.7415 4.7415 4.7415 4.7415 4.9015 4.9015 4.9016 4.9016 5.2030 5.2030 5.2030 5.2030 5.8120 5.8120 5.8121 5.8121 7.8192 7.8192 7.8192 7.8192 8.3506 8.3506 8.3506 8.3506 10.2694 10.2694 10.2696 10.2696 11.9318 11.9318 11.9318 11.9318 14.2003 14.2005 k = 0.5000 0.2887 0.2546 ( 5504 PWs) bands (ev): -18.1203 -18.1203 -18.1198 -18.1198 -4.9206 -4.9206 -4.9200 -4.9200 -3.1200 -3.1200 -3.1195 -3.1195 -2.8438 -2.8438 -2.8433 -2.8433 0.0292 0.0292 0.0292 0.0292 4.2980 4.2980 4.2980 4.2980 4.4433 4.4433 4.4433 4.4433 4.7424 4.7424 4.7424 4.7424 4.9020 4.9020 4.9020 4.9020 5.2034 5.2034 5.2034 5.2034 5.8074 5.8074 5.8074 5.8074 7.8171 7.8171 7.8171 7.8171 8.3514 8.3514 8.3514 8.3514 10.2689 10.2689 10.2691 10.2691 11.9318 11.9318 11.9319 11.9319 14.2072 14.2074 k = 0.5000 0.2887 0.2546 ( 5504 PWs) bands (ev): -18.1203 -18.1203 -18.1198 -18.1198 -4.9206 -4.9206 -4.9200 -4.9200 -3.1200 -3.1200 -3.1195 -3.1195 -2.8438 -2.8438 -2.8433 -2.8433 0.0292 0.0292 0.0292 0.0292 4.2980 4.2980 4.2980 4.2980 4.4433 4.4433 4.4433 4.4433 4.7424 4.7424 4.7424 4.7424 4.9020 4.9020 4.9020 4.9020 5.2034 5.2034 5.2034 5.2034 5.8074 5.8074 5.8074 5.8074 7.8171 7.8171 7.8171 7.8171 8.3514 8.3514 8.3514 8.3514 10.2689 10.2689 10.2691 10.2691 11.9318 11.9318 11.9319 11.9319 14.2072 14.2073 k = 0.4931 0.3007 0.2546 ( 5502 PWs) bands (ev): -18.1203 -18.1203 -18.1197 -18.1197 -4.9207 -4.9207 -4.9199 -4.9199 -3.1208 -3.1208 -3.1184 -3.1184 -2.8443 -2.8443 -2.8436 -2.8436 0.0266 0.0266 0.0323 0.0323 4.2953 4.2953 4.3003 4.3003 4.4293 4.4293 4.4580 4.4580 4.7359 4.7359 4.7488 4.7488 4.8976 4.8976 4.9061 4.9061 5.1960 5.1960 5.2124 5.2124 5.8050 5.8050 5.8108 5.8108 7.8093 7.8093 7.8167 7.8167 8.3508 8.3508 8.3527 8.3527 10.2697 10.2697 10.2718 10.2718 11.9346 11.9346 11.9381 11.9381 14.1857 14.1861 k = 0.4861 0.3127 0.2546 ( 5506 PWs) bands (ev): -18.1203 -18.1203 -18.1197 -18.1197 -4.9210 -4.9210 -4.9197 -4.9197 -3.1215 -3.1215 -3.1167 -3.1167 -2.8457 -2.8457 -2.8447 -2.8447 0.0244 0.0244 0.0357 0.0357 4.2923 4.2923 4.3022 4.3022 4.4162 4.4162 4.4734 4.4734 4.7294 4.7294 4.7549 4.7549 4.8928 4.8928 4.9097 4.9097 5.1900 5.1900 5.2228 5.2228 5.8034 5.8034 5.8150 5.8150 7.7937 7.7937 7.8082 7.8082 8.3508 8.3508 8.3546 8.3546 10.2739 10.2739 10.2780 10.2780 11.9463 11.9463 11.9532 11.9532 14.1350 14.1357 k = 0.4792 0.3248 0.2546 ( 5510 PWs) bands (ev): -18.1202 -18.1202 -18.1196 -18.1196 -4.9213 -4.9213 -4.9195 -4.9195 -3.1218 -3.1218 -3.1147 -3.1147 -2.8478 -2.8478 -2.8465 -2.8465 0.0227 0.0227 0.0396 0.0396 4.2890 4.2890 4.3035 4.3035 4.4042 4.4042 4.4892 4.4892 4.7232 4.7232 4.7606 4.7606 4.8879 4.8879 4.9126 4.9126 5.1854 5.1854 5.2347 5.2347 5.8029 5.8029 5.8202 5.8202 7.7705 7.7705 7.7918 7.7918 8.3516 8.3516 8.3569 8.3569 10.2812 10.2812 10.2878 10.2878 11.9666 11.9666 11.9769 11.9769 14.0725 14.0731 k = 0.4722 0.3368 0.2546 ( 5502 PWs) bands (ev): -18.1201 -18.1201 -18.1195 -18.1195 -4.9217 -4.9217 -4.9193 -4.9193 -3.1218 -3.1218 -3.1124 -3.1124 -2.8508 -2.8508 -2.8492 -2.8492 0.0215 0.0215 0.0438 0.0438 4.2854 4.2854 4.3040 4.3040 4.3935 4.3935 4.5053 4.5053 4.7174 4.7174 4.7658 4.7658 4.8831 4.8831 4.9151 4.9151 5.1824 5.1824 5.2479 5.2479 5.8032 5.8032 5.8262 5.8262 7.7406 7.7406 7.7681 7.7681 8.3529 8.3529 8.3595 8.3595 10.2915 10.2915 10.3007 10.3007 11.9950 11.9950 12.0086 12.0086 14.0063 14.0067 k = 0.4653 0.3488 0.2546 ( 5500 PWs) bands (ev): -18.1200 -18.1200 -18.1194 -18.1194 -4.9221 -4.9221 -4.9192 -4.9192 -3.1215 -3.1215 -3.1097 -3.1097 -2.8544 -2.8544 -2.8526 -2.8526 0.0206 0.0206 0.0484 0.0484 4.2816 4.2816 4.3037 4.3037 4.3844 4.3844 4.5217 4.5217 4.7120 4.7120 4.7702 4.7702 4.8784 4.8784 4.9168 4.9168 5.1807 5.1807 5.2624 5.2624 5.8044 5.8044 5.8329 5.8329 7.7045 7.7045 7.7376 7.7376 8.3547 8.3547 8.3623 8.3623 10.3044 10.3044 10.3168 10.3168 12.0309 12.0309 12.0476 12.0476 13.9401 13.9404 k = 0.4583 0.3608 0.2546 ( 5502 PWs) bands (ev): -18.1198 -18.1198 -18.1193 -18.1193 -4.9225 -4.9225 -4.9191 -4.9191 -3.1209 -3.1209 -3.1066 -3.1066 -2.8586 -2.8586 -2.8567 -2.8567 0.0202 0.0202 0.0532 0.0532 4.2775 4.2775 4.3022 4.3022 4.3769 4.3769 4.5381 4.5381 4.7075 4.7075 4.7738 4.7738 4.8741 4.8741 4.9179 4.9179 5.1803 5.1803 5.2780 5.2780 5.8064 5.8064 5.8404 5.8404 7.6633 7.6633 7.7013 7.7013 8.3568 8.3568 8.3652 8.3652 10.3196 10.3196 10.3355 10.3355 12.0734 12.0734 12.0932 12.0932 13.8758 13.8759 k = 0.4514 0.3729 0.2546 ( 5486 PWs) bands (ev): -18.1197 -18.1197 -18.1191 -18.1191 -4.9229 -4.9229 -4.9190 -4.9190 -3.1201 -3.1201 -3.1033 -3.1033 -2.8634 -2.8634 -2.8615 -2.8615 0.0202 0.0202 0.0582 0.0582 4.2732 4.2732 4.2996 4.2996 4.3712 4.3712 4.5544 4.5544 4.7038 4.7038 4.7764 4.7764 4.8704 4.8704 4.9183 4.9183 5.1812 5.1812 5.2947 5.2947 5.8091 5.8091 5.8484 5.8484 7.6176 7.6176 7.6600 7.6600 8.3592 8.3592 8.3681 8.3681 10.3368 10.3368 10.3566 10.3566 12.1214 12.1214 12.1441 12.1441 13.8140 13.8172 k = 0.4444 0.3849 0.2546 ( 5494 PWs) bands (ev): -18.1195 -18.1195 -18.1189 -18.1189 -4.9234 -4.9234 -4.9189 -4.9189 -3.1190 -3.1190 -3.0997 -3.0997 -2.8686 -2.8686 -2.8670 -2.8670 0.0206 0.0206 0.0634 0.0634 4.2687 4.2687 4.2959 4.2959 4.3672 4.3672 4.5703 4.5703 4.7011 4.7011 4.7780 4.7780 4.8673 4.8673 4.9181 4.9181 5.1831 5.1831 5.3123 5.3123 5.8125 5.8125 5.8569 5.8569 7.5685 7.5685 7.6145 7.6145 8.3616 8.3616 8.3709 8.3709 10.3557 10.3557 10.3797 10.3797 12.1737 12.1737 12.1993 12.1993 13.7556 13.7556 k = 0.4375 0.3969 0.2546 ( 5492 PWs) bands (ev): -18.1193 -18.1193 -18.1187 -18.1187 -4.9238 -4.9238 -4.9189 -4.9189 -3.1177 -3.1177 -3.0958 -3.0958 -2.8743 -2.8743 -2.8730 -2.8730 0.0212 0.0212 0.0688 0.0688 4.2640 4.2640 4.2914 4.2914 4.3646 4.3646 4.5858 4.5858 4.6997 4.6997 4.7786 4.7786 4.8650 4.8650 4.9173 4.9173 5.1861 5.1861 5.3306 5.3306 5.8166 5.8166 5.8658 5.8658 7.5167 7.5167 7.5659 7.5659 8.3641 8.3641 8.3736 8.3736 10.3758 10.3758 10.4045 10.4045 12.2290 12.2290 12.2573 12.2573 13.7012 13.7013 k = 0.4306 0.4090 0.2546 ( 5492 PWs) bands (ev): -18.1191 -18.1191 -18.1185 -18.1185 -4.9243 -4.9243 -4.9189 -4.9189 -3.1162 -3.1162 -3.0916 -3.0916 -2.8802 -2.8802 -2.8794 -2.8794 0.0222 0.0222 0.0742 0.0742 4.2592 4.2592 4.2865 4.2865 4.3629 4.3629 4.6006 4.6006 4.6996 4.6996 4.7782 4.7782 4.8636 4.8636 4.9160 4.9160 5.1899 5.1899 5.3496 5.3496 5.8211 5.8211 5.8749 5.8749 7.4631 7.4631 7.5149 7.5149 8.3666 8.3666 8.3762 8.3762 10.3970 10.3970 10.4305 10.4305 12.2859 12.2859 12.3169 12.3169 13.6512 13.6512 k = 0.4236 0.4210 0.2546 ( 5494 PWs) bands (ev): -18.1188 -18.1188 -18.1183 -18.1183 -4.9248 -4.9248 -4.9190 -4.9190 -3.1146 -3.1146 -3.0873 -3.0873 -2.8866 -2.8866 -2.8861 -2.8861 0.0234 0.0234 0.0796 0.0796 4.2542 4.2542 4.2815 4.2815 4.3620 4.3620 4.6144 4.6144 4.7010 4.7010 4.7769 4.7769 4.8628 4.8628 4.9141 4.9141 5.1946 5.1946 5.3689 5.3689 5.8259 5.8259 5.8841 5.8841 7.4087 7.4087 7.4624 7.4624 8.3689 8.3689 8.3786 8.3786 10.4187 10.4187 10.4574 10.4574 12.3429 12.3429 12.3765 12.3765 13.6061 13.6061 k = 0.4167 0.4330 0.2546 ( 5494 PWs) bands (ev): -18.1186 -18.1186 -18.1180 -18.1180 -4.9253 -4.9253 -4.9191 -4.9191 -3.1129 -3.1129 -3.0827 -3.0827 -2.8937 -2.8937 -2.8924 -2.8924 0.0248 0.0248 0.0849 0.0849 4.2493 4.2493 4.2767 4.2767 4.3614 4.3614 4.6271 4.6271 4.7039 4.7039 4.7749 4.7749 4.8627 4.8627 4.9118 4.9118 5.1999 5.1999 5.3886 5.3886 5.8310 5.8310 5.8931 5.8931 7.3541 7.3541 7.4094 7.4094 8.3712 8.3712 8.3808 8.3808 10.4408 10.4408 10.4847 10.4847 12.3986 12.3986 12.4346 12.4346 13.5663 13.5664 k = 0.4097 0.4450 0.2546 ( 5496 PWs) bands (ev): -18.1184 -18.1184 -18.1178 -18.1178 -4.9258 -4.9258 -4.9192 -4.9192 -3.1111 -3.1111 -3.0780 -3.0780 -2.9011 -2.9011 -2.8986 -2.8986 0.0264 0.0264 0.0901 0.0901 4.2443 4.2443 4.2724 4.2724 4.3610 4.3610 4.6384 4.6384 4.7083 4.7083 4.7725 4.7725 4.8631 4.8631 4.9092 4.9092 5.2057 5.2057 5.4082 5.4082 5.8362 5.8362 5.9019 5.9019 7.3002 7.3002 7.3566 7.3566 8.3732 8.3732 8.3829 8.3829 10.4629 10.4629 10.5120 10.5120 12.4515 12.4515 12.4898 12.4898 13.5321 13.5321 k = 0.4028 0.4571 0.2546 ( 5496 PWs) bands (ev): -18.1181 -18.1181 -18.1176 -18.1176 -4.9264 -4.9264 -4.9194 -4.9194 -3.1093 -3.1093 -3.0731 -3.0731 -2.9086 -2.9086 -2.9047 -2.9047 0.0281 0.0281 0.0951 0.0951 4.2395 4.2395 4.2686 4.2686 4.3606 4.3606 4.6486 4.6486 4.7141 4.7141 4.7698 4.7698 4.8639 4.8639 4.9061 4.9061 5.2118 5.2118 5.4278 5.4278 5.8412 5.8412 5.9102 5.9102 7.2479 7.2479 7.3049 7.3049 8.3751 8.3751 8.3848 8.3848 10.4845 10.4845 10.5388 10.5388 12.5007 12.5007 12.5411 12.5411 13.5039 13.5079 k = 0.3958 0.4691 0.2546 ( 5496 PWs) bands (ev): -18.1179 -18.1179 -18.1173 -18.1173 -4.9269 -4.9269 -4.9196 -4.9196 -3.1075 -3.1075 -3.0682 -3.0682 -2.9161 -2.9161 -2.9106 -2.9106 0.0298 0.0298 0.0998 0.0998 4.2349 4.2349 4.2655 4.2655 4.3600 4.3600 4.6576 4.6576 4.7208 4.7208 4.7670 4.7670 4.8648 4.8648 4.9029 4.9029 5.2182 5.2182 5.4470 5.4470 5.8459 5.8459 5.9178 5.9178 7.1979 7.1979 7.2550 7.2550 8.3768 8.3768 8.3865 8.3865 10.5055 10.5055 10.5648 10.5648 12.5451 12.5451 12.5875 12.5875 13.4820 13.4820 k = 0.3889 0.4811 0.2546 ( 5504 PWs) bands (ev): -18.1177 -18.1177 -18.1171 -18.1171 -4.9274 -4.9274 -4.9198 -4.9198 -3.1058 -3.1058 -3.0634 -3.0634 -2.9236 -2.9236 -2.9161 -2.9161 0.0315 0.0315 0.1042 0.1042 4.2306 4.2306 4.2632 4.2632 4.3592 4.3592 4.6657 4.6657 4.7279 4.7279 4.7642 4.7642 4.8659 4.8659 4.8994 4.8994 5.2247 5.2247 5.4656 5.4656 5.8501 5.8501 5.9245 5.9245 7.1509 7.1509 7.2077 7.2077 8.3782 8.3782 8.3879 8.3879 10.5253 10.5253 10.5894 10.5894 12.5844 12.5844 12.6286 12.6286 13.4665 13.4665 k = 0.3819 0.4932 0.2546 ( 5496 PWs) bands (ev): -18.1175 -18.1175 -18.1169 -18.1169 -4.9279 -4.9279 -4.9200 -4.9200 -3.1042 -3.1042 -3.0586 -3.0586 -2.9307 -2.9307 -2.9212 -2.9212 0.0332 0.0332 0.1083 0.1083 4.2266 4.2266 4.2616 4.2616 4.3583 4.3583 4.6732 4.6732 4.7352 4.7352 4.7616 4.7616 4.8671 4.8671 4.8959 4.8959 5.2311 5.2311 5.4834 5.4834 5.8535 5.8535 5.9302 5.9302 7.1077 7.1077 7.1639 7.1639 8.3795 8.3795 8.3892 8.3892 10.5436 10.5436 10.6122 10.6122 12.6184 12.6184 12.6643 12.6643 13.4572 13.4572 k = 0.3750 0.5052 0.2546 ( 5492 PWs) bands (ev): -18.1173 -18.1173 -18.1167 -18.1167 -4.9283 -4.9283 -4.9203 -4.9203 -3.1028 -3.1028 -3.0540 -3.0540 -2.9375 -2.9375 -2.9257 -2.9257 0.0347 0.0347 0.1119 0.1119 4.2231 4.2231 4.2607 4.2607 4.3571 4.3571 4.6801 4.6801 4.7419 4.7419 4.7593 4.7593 4.8682 4.8682 4.8924 4.8924 5.2372 5.2372 5.5002 5.5002 5.8560 5.8560 5.9347 5.9347 7.0690 7.0690 7.1242 7.1242 8.3805 8.3805 8.3903 8.3903 10.5601 10.5601 10.6327 10.6327 12.6472 12.6472 12.6948 12.6948 13.4540 13.4540 k = 0.3681 0.5172 0.2546 ( 5500 PWs) bands (ev): -18.1171 -18.1171 -18.1165 -18.1165 -4.9287 -4.9287 -4.9205 -4.9205 -3.1016 -3.1016 -3.0497 -3.0497 -2.9438 -2.9438 -2.9297 -2.9297 0.0361 0.0361 0.1151 0.1151 4.2200 4.2200 4.2604 4.2604 4.3556 4.3556 4.6866 4.6866 4.7480 4.7480 4.7571 4.7571 4.8692 4.8692 4.8891 4.8891 5.2429 5.2429 5.5157 5.5157 5.8573 5.8573 5.9379 5.9379 7.0353 7.0353 7.0895 7.0895 8.3813 8.3813 8.3912 8.3912 10.5744 10.5744 10.6505 10.6505 12.6714 12.6714 12.7205 12.7205 13.4563 13.4563 k = 0.3611 0.5292 0.2546 ( 5502 PWs) bands (ev): -18.1169 -18.1169 -18.1164 -18.1164 -4.9291 -4.9291 -4.9207 -4.9207 -3.1006 -3.1006 -3.0458 -3.0458 -2.9493 -2.9493 -2.9330 -2.9330 0.0374 0.0374 0.1178 0.1178 4.2175 4.2175 4.2608 4.2608 4.3541 4.3541 4.6926 4.6926 4.7530 4.7530 4.7554 4.7554 4.8701 4.8701 4.8860 4.8860 5.2479 5.2479 5.5295 5.5295 5.8574 5.8574 5.9398 5.9398 7.0073 7.0073 7.0602 7.0602 8.3820 8.3820 8.3919 8.3919 10.5863 10.5863 10.6654 10.6654 12.6912 12.6912 12.7420 12.7420 13.4631 13.4631 k = 0.3542 0.5413 0.2546 ( 5510 PWs) bands (ev): -18.1168 -18.1168 -18.1163 -18.1163 -4.9294 -4.9294 -4.9209 -4.9209 -3.0999 -3.0999 -3.0426 -3.0426 -2.9538 -2.9538 -2.9355 -2.9355 0.0384 0.0384 0.1199 0.1199 4.2155 4.2155 4.2615 4.2615 4.3526 4.3526 4.6978 4.6978 4.7539 4.7539 4.7570 4.7570 4.8709 4.8709 4.8833 4.8833 5.2520 5.2520 5.5412 5.5412 5.8565 5.8565 5.9406 5.9406 6.9853 6.9853 7.0370 7.0370 8.3824 8.3824 8.3924 8.3924 10.5956 10.5956 10.6770 10.6770 12.7071 12.7071 12.7595 12.7595 13.4732 13.4732 k = 0.3472 0.5533 0.2546 ( 5510 PWs) bands (ev): -18.1167 -18.1167 -18.1162 -18.1162 -4.9297 -4.9297 -4.9211 -4.9211 -3.0994 -3.0994 -3.0402 -3.0402 -2.9572 -2.9572 -2.9373 -2.9373 0.0391 0.0391 0.1214 0.1214 4.2141 4.2141 4.2623 4.2623 4.3513 4.3513 4.7019 4.7019 4.7529 4.7529 4.7598 4.7598 4.8715 4.8715 4.8813 4.8813 5.2552 5.2552 5.5504 5.5504 5.8549 5.8549 5.9406 5.9406 6.9696 6.9696 7.0203 7.0203 8.3827 8.3827 8.3928 8.3928 10.6023 10.6023 10.6853 10.6853 12.7190 12.7190 12.7729 12.7729 13.4841 13.4841 k = 0.3403 0.5653 0.2546 ( 5494 PWs) bands (ev): -18.1167 -18.1167 -18.1161 -18.1161 -4.9298 -4.9298 -4.9212 -4.9212 -3.0991 -3.0991 -3.0387 -3.0387 -2.9593 -2.9593 -2.9384 -2.9384 0.0396 0.0396 0.1223 0.1223 4.2133 4.2133 4.2631 4.2631 4.3503 4.3503 4.7047 4.7047 4.7523 4.7523 4.7615 4.7615 4.8719 4.8719 4.8801 4.8801 5.2572 5.2572 5.5565 5.5565 5.8533 5.8533 5.9401 5.9401 6.9602 6.9602 7.0103 7.0103 8.3829 8.3829 8.3930 8.3930 10.6062 10.6062 10.6902 10.6902 12.7266 12.7266 12.7816 12.7816 13.4926 13.4926 k = 0.3333 0.5774 0.2546 ( 5508 PWs) bands (ev): -18.1166 -18.1166 -18.1161 -18.1161 -4.9299 -4.9299 -4.9212 -4.9212 -3.0990 -3.0990 -3.0382 -3.0382 -2.9600 -2.9600 -2.9387 -2.9387 0.0397 0.0397 0.1227 0.1227 4.2130 4.2130 4.2634 4.2634 4.3499 4.3499 4.7056 4.7056 4.7521 4.7521 4.7620 4.7620 4.8720 4.8720 4.8796 4.8796 5.2579 5.2579 5.5587 5.5587 5.8525 5.8525 5.9398 5.9398 6.9571 6.9571 7.0069 7.0069 8.3830 8.3830 8.3930 8.3930 10.6074 10.6074 10.6918 10.6918 12.7293 12.7293 12.7848 12.7848 13.4956 13.4956 k = 0.3333 0.5774 0.2546 ( 5508 PWs) bands (ev): -18.1166 -18.1166 -18.1161 -18.1161 -4.9299 -4.9299 -4.9212 -4.9212 -3.0990 -3.0990 -3.0382 -3.0382 -2.9600 -2.9600 -2.9387 -2.9387 0.0397 0.0397 0.1227 0.1227 4.2130 4.2130 4.2634 4.2634 4.3499 4.3499 4.7056 4.7056 4.7521 4.7521 4.7620 4.7620 4.8720 4.8720 4.8796 4.8796 5.2579 5.2579 5.5587 5.5587 5.8525 5.8525 5.9398 5.9398 6.9571 6.9571 7.0069 7.0069 8.3830 8.3830 8.3930 8.3930 10.6074 10.6074 10.6918 10.6918 12.7293 12.7293 12.7848 12.7848 13.4956 13.4957 k = 0.3262 0.5651 0.2546 ( 5496 PWs) bands (ev): -18.1167 -18.1167 -18.1161 -18.1161 -4.9298 -4.9298 -4.9212 -4.9212 -3.0991 -3.0991 -3.0387 -3.0387 -2.9593 -2.9593 -2.9384 -2.9384 0.0396 0.0396 0.1223 0.1223 4.2133 4.2133 4.2630 4.2630 4.3504 4.3504 4.7045 4.7045 4.7523 4.7523 4.7614 4.7614 4.8719 4.8719 4.8801 4.8801 5.2572 5.2572 5.5562 5.5562 5.8537 5.8537 5.9404 5.9404 6.9603 6.9603 7.0103 7.0103 8.3829 8.3829 8.3930 8.3930 10.6062 10.6062 10.6902 10.6902 12.7261 12.7261 12.7811 12.7811 13.4936 13.4936 k = 0.3191 0.5528 0.2546 ( 5500 PWs) bands (ev): -18.1167 -18.1167 -18.1162 -18.1162 -4.9296 -4.9296 -4.9210 -4.9210 -3.0992 -3.0992 -3.0399 -3.0399 -2.9574 -2.9574 -2.9374 -2.9374 0.0390 0.0390 0.1213 0.1213 4.2140 4.2140 4.2614 4.2614 4.3519 4.3519 4.7011 4.7011 4.7530 4.7530 4.7597 4.7597 4.8714 4.8714 4.8814 4.8814 5.2550 5.2550 5.5486 5.5486 5.8579 5.8579 5.9426 5.9426 6.9693 6.9693 7.0202 7.0202 8.3828 8.3828 8.3928 8.3928 10.6027 10.6027 10.6857 10.6857 12.7161 12.7161 12.7692 12.7692 13.4912 13.4912 k = 0.3121 0.5405 0.2546 ( 5500 PWs) bands (ev): -18.1168 -18.1168 -18.1163 -18.1163 -4.9293 -4.9293 -4.9208 -4.9208 -3.0994 -3.0994 -3.0417 -3.0417 -2.9545 -2.9545 -2.9358 -2.9358 0.0381 0.0381 0.1197 0.1197 4.2152 4.2152 4.2586 4.2586 4.3544 4.3544 4.6952 4.6952 4.7541 4.7541 4.7568 4.7568 4.8705 4.8705 4.8835 4.8835 5.2515 5.2515 5.5358 5.5358 5.8658 5.8658 5.9471 5.9471 6.9839 6.9839 7.0362 7.0362 8.3827 8.3827 8.3925 8.3925 10.5972 10.5972 10.6788 10.6788 12.6987 12.6987 12.7486 12.7486 13.4932 13.4932 k = 0.3050 0.5282 0.2546 ( 5500 PWs) bands (ev): -18.1170 -18.1170 -18.1165 -18.1165 -4.9288 -4.9288 -4.9204 -4.9204 -3.0995 -3.0995 -3.0439 -3.0439 -2.9508 -2.9508 -2.9337 -2.9337 0.0369 0.0369 0.1174 0.1174 4.2167 4.2167 4.2545 4.2545 4.3580 4.3580 4.6871 4.6871 4.7527 4.7527 4.7556 4.7556 4.8691 4.8691 4.8862 4.8862 5.2469 5.2469 5.5183 5.5183 5.8780 5.8780 5.9548 5.9548 7.0036 7.0036 7.0578 7.0578 8.3825 8.3825 8.3921 8.3921 10.5902 10.5902 10.6698 10.6698 12.6739 12.6739 12.7197 12.7197 13.5020 13.5020 k = 0.2979 0.5159 0.2546 ( 5510 PWs) bands (ev): -18.1172 -18.1172 -18.1167 -18.1167 -4.9281 -4.9281 -4.9198 -4.9198 -3.0995 -3.0995 -3.0461 -3.0461 -2.9466 -2.9466 -2.9311 -2.9311 0.0353 0.0353 0.1144 0.1144 4.2184 4.2184 4.2491 4.2491 4.3622 4.3622 4.6768 4.6768 4.7473 4.7473 4.7576 4.7576 4.8672 4.8672 4.8890 4.8890 5.2414 5.2414 5.4967 5.4967 5.8945 5.8945 5.9661 5.9661 7.0277 7.0277 7.0842 7.0842 8.3824 8.3824 8.3917 8.3917 10.5821 10.5821 10.6593 10.6593 12.6422 12.6422 12.6835 12.6835 13.5175 13.5175 k = 0.2908 0.5036 0.2546 ( 5506 PWs) bands (ev): -18.1175 -18.1175 -18.1170 -18.1170 -4.9272 -4.9272 -4.9191 -4.9191 -3.0993 -3.0993 -3.0482 -3.0482 -2.9420 -2.9420 -2.9281 -2.9281 0.0333 0.0333 0.1108 0.1108 4.2202 4.2202 4.2425 4.2425 4.3669 4.3669 4.6645 4.6645 4.7407 4.7407 4.7600 4.7600 4.8647 4.8647 4.8917 4.8917 5.2353 5.2353 5.4722 5.4722 5.9151 5.9151 5.9815 5.9815 7.0559 7.0559 7.1150 7.1150 8.3823 8.3823 8.3912 8.3912 10.5735 10.5735 10.6479 10.6479 12.6047 12.6047 12.6413 12.6413 13.5380 13.5380 k = 0.2837 0.4914 0.2546 ( 5510 PWs) bands (ev): -18.1179 -18.1179 -18.1173 -18.1173 -4.9261 -4.9261 -4.9182 -4.9182 -3.0989 -3.0989 -3.0502 -3.0502 -2.9371 -2.9371 -2.9248 -2.9248 0.0309 0.0309 0.1066 0.1066 4.2219 4.2219 4.2350 4.2350 4.3718 4.3718 4.6504 4.6504 4.7330 4.7330 4.7627 4.7627 4.8613 4.8613 4.8940 4.8940 5.2289 5.2289 5.4456 5.4456 5.9399 5.9399 6.0015 6.0015 7.0875 7.0875 7.1496 7.1496 8.3823 8.3823 8.3906 8.3906 10.5648 10.5648 10.6361 10.6361 12.5625 12.5625 12.5946 12.5946 13.5589 13.5589 k = 0.2766 0.4791 0.2546 ( 5496 PWs) bands (ev): -18.1183 -18.1183 -18.1177 -18.1177 -4.9249 -4.9249 -4.9172 -4.9172 -3.0982 -3.0982 -3.0519 -3.0519 -2.9321 -2.9321 -2.9213 -2.9213 0.0282 0.0282 0.1018 0.1018 4.2234 4.2234 4.2266 4.2266 4.3767 4.3767 4.6347 4.6347 4.7243 4.7243 4.7658 4.7658 4.8571 4.8571 4.8957 4.8957 5.2227 5.2227 5.4179 5.4179 5.9687 5.9687 6.0261 6.0261 7.1222 7.1222 7.1872 7.1872 8.3825 8.3825 8.3900 8.3900 10.5565 10.5565 10.6244 10.6244 12.5169 12.5169 12.5447 12.5447 13.5721 13.5721 k = 0.2695 0.4668 0.2546 ( 5508 PWs) bands (ev): -18.1187 -18.1187 -18.1182 -18.1182 -4.9234 -4.9234 -4.9159 -4.9159 -3.0972 -3.0972 -3.0533 -3.0533 -2.9269 -2.9269 -2.9175 -2.9175 0.0251 0.0251 0.0965 0.0965 4.2175 4.2175 4.2245 4.2245 4.3812 4.3812 4.6175 4.6175 4.7148 4.7148 4.7691 4.7691 4.8519 4.8519 4.8965 4.8965 5.2166 5.2166 5.3897 5.3897 6.0015 6.0015 6.0557 6.0557 7.1595 7.1595 7.2275 7.2275 8.3828 8.3828 8.3893 8.3893 10.5492 10.5492 10.6135 10.6135 12.4688 12.4688 12.4929 12.4929 13.5670 13.5670 k = 0.2624 0.4545 0.2546 ( 5508 PWs) bands (ev): -18.1193 -18.1193 -18.1187 -18.1187 -4.9216 -4.9216 -4.9144 -4.9144 -3.0959 -3.0959 -3.0543 -3.0543 -2.9217 -2.9217 -2.9134 -2.9134 0.0218 0.0218 0.0907 0.0907 4.2077 4.2077 4.2251 4.2251 4.3852 4.3852 4.5990 4.5990 4.7046 4.7046 4.7725 4.7725 4.8457 4.8457 4.8965 4.8965 5.2111 5.2111 5.3620 5.3620 6.0383 6.0383 6.0901 6.0901 7.1989 7.1989 7.2698 7.2698 8.3833 8.3833 8.3887 8.3887 10.5433 10.5433 10.6037 10.6037 12.4192 12.4192 12.4399 12.4399 13.5390 13.5390 k = 0.2553 0.4422 0.2546 ( 5512 PWs) bands (ev): -18.1198 -18.1198 -18.1193 -18.1193 -4.9197 -4.9197 -4.9128 -4.9128 -3.0944 -3.0944 -3.0550 -3.0550 -2.9164 -2.9164 -2.9093 -2.9093 0.0181 0.0181 0.0844 0.0844 4.1974 4.1974 4.2248 4.2248 4.3886 4.3886 4.5797 4.5797 4.6940 4.6940 4.7756 4.7756 4.8385 4.8385 4.8957 4.8957 5.2060 5.2060 5.3351 5.3351 6.0791 6.0791 6.1295 6.1295 7.2401 7.2401 7.3137 7.3137 8.3842 8.3842 8.3881 8.3881 10.5391 10.5391 10.5957 10.5957 12.3688 12.3688 12.3864 12.3864 13.4917 13.4917 k = 0.2482 0.4299 0.2546 ( 5512 PWs) bands (ev): -18.1205 -18.1205 -18.1199 -18.1199 -4.9176 -4.9176 -4.9109 -4.9109 -3.0925 -3.0925 -3.0553 -3.0553 -2.9111 -2.9111 -2.9049 -2.9049 0.0141 0.0141 0.0776 0.0776 4.1867 4.1867 4.2236 4.2236 4.3913 4.3913 4.5597 4.5597 4.6830 4.6830 4.7778 4.7778 4.8308 4.8308 4.8941 4.8941 5.2015 5.2015 5.3096 5.3096 6.1241 6.1241 6.1738 6.1738 7.2825 7.2825 7.3585 7.3585 8.3856 8.3856 8.3876 8.3876 10.5373 10.5373 10.5898 10.5898 12.3181 12.3181 12.3331 12.3331 13.4303 13.4303 k = 0.2411 0.4177 0.2546 ( 5512 PWs) bands (ev): -18.1212 -18.1212 -18.1206 -18.1206 -4.9152 -4.9152 -4.9088 -4.9088 -3.0903 -3.0903 -3.0552 -3.0552 -2.9058 -2.9058 -2.9004 -2.9004 0.0098 0.0098 0.0704 0.0704 4.1756 4.1756 4.2213 4.2213 4.3933 4.3933 4.5396 4.5396 4.6717 4.6717 4.7778 4.7778 4.8237 4.8237 4.8918 4.8918 5.1973 5.1973 5.2858 5.2858 6.1731 6.1731 6.2228 6.2228 7.3259 7.3259 7.4039 7.4039 8.3874 8.3874 8.3875 8.3875 10.5381 10.5381 10.5865 10.5865 12.2677 12.2677 12.2803 12.2803 13.3592 13.3592 k = 0.2340 0.4054 0.2546 ( 5504 PWs) bands (ev): -18.1219 -18.1219 -18.1214 -18.1214 -4.9126 -4.9126 -4.9065 -4.9065 -3.0878 -3.0878 -3.0548 -3.0548 -2.9005 -2.9005 -2.8958 -2.8958 0.0053 0.0053 0.0629 0.0629 4.1642 4.1642 4.2175 4.2175 4.3945 4.3945 4.5195 4.5195 4.6604 4.6604 4.7738 4.7738 4.8191 4.8191 4.8890 4.8890 5.1935 5.1935 5.2640 5.2640 6.2262 6.2262 6.2765 6.2765 7.3698 7.3698 7.4492 7.4492 8.3875 8.3875 8.3903 8.3903 10.5419 10.5419 10.5861 10.5861 12.2180 12.2180 12.2284 12.2284 13.2812 13.2812 k = 0.2270 0.3931 0.2546 ( 5504 PWs) bands (ev): -18.1228 -18.1228 -18.1222 -18.1222 -4.9098 -4.9098 -4.9041 -4.9041 -3.0850 -3.0850 -3.0541 -3.0541 -2.8950 -2.8950 -2.8910 -2.8910 0.0005 0.0005 0.0550 0.0550 4.1525 4.1525 4.2121 4.2121 4.3950 4.3950 4.5000 4.5000 4.6491 4.6491 4.7645 4.7645 4.8182 4.8182 4.8858 4.8858 5.1898 5.1898 5.2441 5.2441 6.2833 6.2833 6.3347 6.3347 7.4136 7.4136 7.4938 7.4938 8.3883 8.3883 8.3941 8.3941 10.5491 10.5491 10.5890 10.5890 12.1692 12.1692 12.1777 12.1777 13.1968 13.1968 k = 0.2199 0.3808 0.2546 ( 5500 PWs) bands (ev): -18.1236 -18.1236 -18.1231 -18.1231 -4.9069 -4.9069 -4.9014 -4.9014 -3.0820 -3.0820 -3.0532 -3.0532 -2.8895 -2.8895 -2.8861 -2.8861 -0.0046 -0.0046 0.0468 0.0468 4.1407 4.1407 4.2051 4.2051 4.3948 4.3948 4.4813 4.4813 4.6378 4.6378 4.7509 4.7509 4.8201 4.8201 4.8825 4.8825 5.1862 5.1862 5.2262 5.2262 6.3445 6.3445 6.3971 6.3971 7.4571 7.4571 7.5373 7.5373 8.3899 8.3899 8.3994 8.3994 10.5598 10.5598 10.5955 10.5955 12.1216 12.1216 12.1284 12.1284 13.1096 13.1096 k = 0.2128 0.3685 0.2546 ( 5496 PWs) bands (ev): -18.1245 -18.1245 -18.1240 -18.1240 -4.9037 -4.9037 -4.8986 -4.8986 -3.0789 -3.0789 -3.0520 -3.0520 -2.8838 -2.8838 -2.8809 -2.8809 -0.0099 -0.0099 0.0383 0.0383 4.1287 4.1287 4.1963 4.1963 4.3939 4.3939 4.4636 4.4636 4.6267 4.6267 4.7343 4.7343 4.8236 4.8236 4.8791 4.8791 5.1825 5.1825 5.2102 5.2102 6.4095 6.4095 6.4635 6.4635 7.4996 7.4996 7.5790 7.5790 8.3926 8.3926 8.4065 8.4065 10.5743 10.5743 10.6058 10.6058 12.0754 12.0754 12.0807 12.0807 13.0208 13.0208 k = 0.2057 0.3562 0.2546 ( 5488 PWs) bands (ev): -18.1255 -18.1255 -18.1249 -18.1249 -4.9004 -4.9004 -4.8956 -4.8956 -3.0755 -3.0755 -3.0506 -3.0506 -2.8780 -2.8780 -2.8756 -2.8756 -0.0154 -0.0154 0.0296 0.0296 4.1167 4.1167 4.1857 4.1857 4.3924 4.3924 4.4472 4.4472 4.6159 4.6159 4.7158 4.7158 4.8279 4.8279 4.8757 4.8757 5.1787 5.1787 5.1959 5.1959 6.4783 6.4783 6.5337 6.5337 7.5406 7.5406 7.6182 7.6182 8.3970 8.3970 8.4159 8.4159 10.5927 10.5927 10.6201 10.6201 12.0308 12.0308 12.0347 12.0347 12.9314 12.9314 k = 0.1986 0.3440 0.2546 ( 5496 PWs) bands (ev): -18.1265 -18.1265 -18.1259 -18.1259 -4.8970 -4.8970 -4.8925 -4.8925 -3.0721 -3.0721 -3.0491 -3.0491 -2.8720 -2.8720 -2.8699 -2.8699 -0.0212 -0.0212 0.0207 0.0207 4.1045 4.1045 4.1734 4.1734 4.3902 4.3902 4.4320 4.4320 4.6053 4.6053 4.6962 4.6962 4.8324 4.8324 4.8724 4.8724 5.1746 5.1746 5.1831 5.1831 6.5506 6.5506 6.6074 6.6074 7.5797 7.5797 7.6543 7.6543 8.4036 8.4036 8.4281 8.4281 10.6153 10.6153 10.6387 10.6387 11.9879 11.9879 11.9907 11.9907 12.8423 12.8423 k = 0.1915 0.3317 0.2546 ( 5484 PWs) bands (ev): -18.1275 -18.1275 -18.1270 -18.1270 -4.8934 -4.8934 -4.8892 -4.8892 -3.0686 -3.0686 -3.0474 -3.0474 -2.8658 -2.8658 -2.8641 -2.8641 -0.0271 -0.0271 0.0115 0.0115 4.0925 4.0925 4.1597 4.1597 4.3877 4.3877 4.4181 4.4181 4.5951 4.5951 4.6760 4.6760 4.8371 4.8371 4.8694 4.8694 5.1703 5.1703 5.1715 5.1715 6.6262 6.6262 6.6841 6.6841 7.6162 7.6162 7.6868 7.6868 8.4127 8.4127 8.4436 8.4436 10.6421 10.6421 10.6615 10.6615 11.9469 11.9469 11.9486 11.9486 12.7540 12.7540 k = 0.1844 0.3194 0.2546 ( 5480 PWs) bands (ev): -18.1286 -18.1286 -18.1280 -18.1280 -4.8897 -4.8897 -4.8859 -4.8859 -3.0651 -3.0651 -3.0457 -3.0457 -2.8593 -2.8593 -2.8579 -2.8579 -0.0333 -0.0333 0.0022 0.0022 4.0804 4.0804 4.1448 4.1448 4.3846 4.3846 4.4053 4.4053 4.5853 4.5853 4.6556 4.6556 4.8417 4.8417 4.8667 4.8667 5.1611 5.1611 5.1656 5.1656 6.7047 6.7047 6.7635 6.7635 7.6499 7.6499 7.7154 7.7154 8.4252 8.4252 8.4630 8.4630 10.6730 10.6730 10.6886 10.6886 11.9079 11.9079 11.9087 11.9087 12.6673 12.6673 k = 0.1773 0.3071 0.2546 ( 5476 PWs) bands (ev): -18.1297 -18.1297 -18.1291 -18.1291 -4.8860 -4.8860 -4.8824 -4.8824 -3.0617 -3.0617 -3.0440 -3.0440 -2.8524 -2.8524 -2.8513 -2.8513 -0.0397 -0.0397 -0.0072 -0.0072 4.0685 4.0685 4.1290 4.1290 4.3810 4.3810 4.3935 4.3935 4.5759 4.5759 4.6354 4.6354 4.8462 4.8462 4.8644 4.8644 5.1514 5.1514 5.1606 5.1606 6.7857 6.7857 6.8451 6.8451 7.6804 7.6804 7.7398 7.7398 8.4414 8.4414 8.4864 8.4864 10.7080 10.7080 10.7201 10.7201 11.8708 11.8708 11.8710 11.8710 12.5825 12.5825 k = 0.1702 0.2948 0.2546 ( 5480 PWs) bands (ev): -18.1308 -18.1308 -18.1302 -18.1302 -4.8822 -4.8822 -4.8789 -4.8789 -3.0583 -3.0583 -3.0424 -3.0424 -2.8453 -2.8453 -2.8444 -2.8444 -0.0463 -0.0463 -0.0167 -0.0167 4.0567 4.0567 4.1126 4.1126 4.3768 4.3768 4.3824 4.3824 4.5670 4.5670 4.6158 4.6158 4.8505 4.8505 4.8624 4.8624 5.1425 5.1425 5.1553 5.1553 6.8686 6.8686 6.9279 6.9279 7.7077 7.7077 7.7603 7.7603 8.4617 8.4617 8.5141 8.5141 10.7471 10.7471 10.7557 10.7557 11.8353 11.8353 11.8360 11.8360 12.5001 12.5001 k = 0.1631 0.2825 0.2546 ( 5476 PWs) bands (ev): -18.1319 -18.1319 -18.1314 -18.1314 -4.8784 -4.8784 -4.8754 -4.8754 -3.0551 -3.0551 -3.0408 -3.0408 -2.8378 -2.8378 -2.8372 -2.8372 -0.0530 -0.0530 -0.0264 -0.0264 4.0451 4.0451 4.0959 4.0959 4.3720 4.3720 4.3722 4.3722 4.5586 4.5586 4.5970 4.5970 4.8546 4.8546 4.8609 4.8609 5.1341 5.1341 5.1496 5.1496 6.9525 6.9525 7.0112 7.0112 7.7324 7.7324 7.7774 7.7774 8.4866 8.4866 8.5460 8.5460 10.7901 10.7901 10.7953 10.7953 11.8021 11.8021 11.8032 11.8032 12.4204 12.4204 k = 0.1560 0.2702 0.2546 ( 5476 PWs) bands (ev): -18.1331 -18.1331 -18.1325 -18.1325 -4.8746 -4.8746 -4.8719 -4.8719 -3.0520 -3.0520 -3.0393 -3.0393 -2.8300 -2.8300 -2.8295 -2.8295 -0.0599 -0.0599 -0.0360 -0.0360 4.0336 4.0336 4.0793 4.0793 4.3621 4.3621 4.3671 4.3671 4.5506 4.5506 4.5794 4.5794 4.8585 4.8585 4.8599 4.8599 5.1261 5.1261 5.1435 5.1435 7.0364 7.0364 7.0935 7.0935 7.7556 7.7556 7.7924 7.7924 8.5160 8.5160 8.5819 8.5819 10.8366 10.8366 10.8386 10.8386 11.7710 11.7710 11.7724 11.7724 12.3439 12.3439 k = 0.1489 0.2580 0.2546 ( 5480 PWs) bands (ev): -18.1342 -18.1342 -18.1337 -18.1337 -4.8708 -4.8708 -4.8684 -4.8684 -3.0492 -3.0492 -3.0379 -3.0379 -2.8219 -2.8219 -2.8214 -2.8214 -0.0670 -0.0670 -0.0457 -0.0457 4.0224 4.0224 4.0628 4.0628 4.3526 4.3526 4.3613 4.3613 4.5431 4.5431 4.5631 4.5631 4.8593 4.8593 4.8621 4.8621 5.1185 5.1185 5.1371 5.1371 7.1187 7.1187 7.1729 7.1729 7.7792 7.7792 7.8071 7.8071 8.5497 8.5497 8.6213 8.6213 10.8853 10.8853 10.8864 10.8864 11.7422 11.7422 11.7438 11.7438 12.2710 12.2710 k = 0.1418 0.2457 0.2546 ( 5476 PWs) bands (ev): -18.1354 -18.1354 -18.1348 -18.1348 -4.8670 -4.8670 -4.8649 -4.8649 -3.0465 -3.0465 -3.0367 -3.0367 -2.8135 -2.8135 -2.8130 -2.8130 -0.0742 -0.0742 -0.0554 -0.0554 4.0114 4.0114 4.0467 4.0467 4.3434 4.3434 4.3549 4.3549 4.5360 4.5360 4.5484 4.5484 4.8592 4.8592 4.8655 4.8655 5.1111 5.1111 5.1304 5.1304 7.1971 7.1971 7.2467 7.2467 7.8061 7.8061 7.8239 7.8239 8.5874 8.5874 8.6637 8.6637 10.9349 10.9349 10.9390 10.9390 11.7152 11.7152 11.7169 11.7169 12.2023 12.2023 k = 0.1348 0.2334 0.2546 ( 5476 PWs) bands (ev): -18.1365 -18.1365 -18.1360 -18.1360 -4.8634 -4.8634 -4.8615 -4.8615 -3.0441 -3.0441 -3.0356 -3.0356 -2.8047 -2.8047 -2.8042 -2.8042 -0.0815 -0.0815 -0.0651 -0.0651 4.0007 4.0007 4.0311 4.0311 4.3344 4.3344 4.3479 4.3479 4.5295 4.5295 4.5354 4.5354 4.8597 4.8597 4.8687 4.8687 5.1039 5.1039 5.1234 5.1234 7.2685 7.2685 7.3115 7.3115 7.8399 7.8399 7.8465 7.8465 8.6287 8.6287 8.7086 8.7086 10.9866 10.9866 10.9936 10.9936 11.6899 11.6899 11.6916 11.6916 12.1386 12.1386 k = 0.1277 0.2211 0.2546 ( 5480 PWs) bands (ev): -18.1376 -18.1376 -18.1371 -18.1371 -4.8598 -4.8598 -4.8581 -4.8581 -3.0420 -3.0420 -3.0347 -3.0347 -2.7957 -2.7957 -2.7952 -2.7952 -0.0889 -0.0889 -0.0747 -0.0747 3.9903 3.9903 4.0162 4.0162 4.3258 4.3258 4.3403 4.3403 4.5233 4.5233 4.5241 4.5241 4.8606 4.8606 4.8717 4.8717 5.0968 5.0968 5.1162 5.1162 7.3293 7.3293 7.3637 7.3637 7.8787 7.8787 7.8845 7.8845 8.6729 8.6729 8.7554 8.7554 11.0396 11.0396 11.0496 11.0496 11.6656 11.6656 11.6674 11.6674 12.0812 12.0812 k = 0.1206 0.2088 0.2546 ( 5476 PWs) bands (ev): -18.1388 -18.1388 -18.1382 -18.1382 -4.8563 -4.8563 -4.8548 -4.8548 -3.0401 -3.0401 -3.0339 -3.0339 -2.7865 -2.7865 -2.7859 -2.7859 -0.0964 -0.0964 -0.0841 -0.0841 3.9802 3.9802 4.0020 4.0020 4.3174 4.3174 4.3322 4.3322 4.5146 4.5146 4.5177 4.5177 4.8621 4.8621 4.8747 4.8747 5.0899 5.0899 5.1087 5.1087 7.3761 7.3761 7.4012 7.4012 7.9244 7.9244 7.9425 7.9425 8.7194 8.7194 8.8034 8.8034 11.0925 11.0925 11.1057 11.1057 11.6415 11.6415 11.6436 11.6436 12.0316 12.0316 k = 0.1135 0.1965 0.2546 ( 5488 PWs) bands (ev): -18.1398 -18.1398 -18.1393 -18.1393 -4.8530 -4.8530 -4.8517 -4.8517 -3.0385 -3.0385 -3.0332 -3.0332 -2.7770 -2.7770 -2.7764 -2.7764 -0.1039 -0.1039 -0.0935 -0.0935 3.9705 3.9705 3.9885 3.9885 4.3093 4.3093 4.3236 4.3236 4.5066 4.5066 4.5124 4.5124 4.8641 4.8641 4.8775 4.8775 5.0830 5.0830 5.1010 5.1010 7.4074 7.4074 7.4241 7.4241 7.9852 7.9852 8.0140 8.0140 8.7677 8.7677 8.8523 8.8523 11.1436 11.1436 11.1600 11.1600 11.6168 11.6168 11.6194 11.6194 11.9919 11.9920 k = 0.1064 0.1843 0.2546 ( 5492 PWs) bands (ev): -18.1409 -18.1409 -18.1403 -18.1403 -4.8498 -4.8498 -4.8487 -4.8487 -3.0371 -3.0371 -3.0327 -3.0327 -2.7675 -2.7675 -2.7669 -2.7669 -0.1113 -0.1113 -0.1026 -0.1026 3.9611 3.9611 3.9758 3.9758 4.3015 4.3015 4.3149 4.3149 4.5002 4.5002 4.5076 4.5076 4.8666 4.8666 4.8803 4.8803 5.0762 5.0762 5.0932 5.0932 7.4245 7.4245 7.4347 7.4347 8.0602 8.0602 8.0972 8.0972 8.8171 8.8171 8.9013 8.9013 11.1902 11.1902 11.2100 11.2100 11.5913 11.5913 11.5948 11.5948 11.9646 11.9646 k = 0.0993 0.1720 0.2546 ( 5490 PWs) bands (ev): -18.1419 -18.1419 -18.1414 -18.1414 -4.8468 -4.8468 -4.8458 -4.8458 -3.0359 -3.0359 -3.0324 -3.0324 -2.7580 -2.7580 -2.7574 -2.7574 -0.1187 -0.1187 -0.1115 -0.1115 3.9522 3.9522 3.9639 3.9639 4.2940 4.2940 4.3061 4.3061 4.4950 4.4950 4.5031 4.5031 4.8696 4.8696 4.8831 4.8831 5.0696 5.0696 5.0852 5.0852 7.4302 7.4302 7.4361 7.4361 8.1467 8.1467 8.1891 8.1891 8.8671 8.8671 8.9501 8.9501 11.2281 11.2281 11.2512 11.2512 11.5664 11.5664 11.5710 11.5710 11.9512 11.9512 k = 0.0922 0.1597 0.2546 ( 5502 PWs) bands (ev): -18.1429 -18.1429 -18.1423 -18.1423 -4.8439 -4.8439 -4.8431 -4.8431 -3.0350 -3.0350 -3.0321 -3.0321 -2.7485 -2.7485 -2.7479 -2.7479 -0.1259 -0.1259 -0.1201 -0.1201 3.9437 3.9437 3.9529 3.9529 4.2868 4.2868 4.2974 4.2974 4.4910 4.4910 4.4991 4.4991 4.8731 4.8731 4.8860 4.8860 5.0629 5.0629 5.0771 5.0771 7.4277 7.4277 7.4309 7.4309 8.2416 8.2416 8.2872 8.2872 8.9172 8.9172 8.9980 8.9980 11.2511 11.2511 11.2767 11.2767 11.5469 11.5469 11.5530 11.5530 11.9470 11.9470 k = 0.0851 0.1474 0.2546 ( 5490 PWs) bands (ev): -18.1438 -18.1438 -18.1433 -18.1433 -4.8413 -4.8413 -4.8405 -4.8405 -3.0342 -3.0342 -3.0319 -3.0319 -2.7392 -2.7392 -2.7386 -2.7386 -0.1329 -0.1329 -0.1283 -0.1283 3.9356 3.9356 3.9428 3.9428 4.2801 4.2801 4.2891 4.2891 4.4879 4.4879 4.4955 4.4955 4.8770 4.8770 4.8889 4.8889 5.0564 5.0564 5.0690 5.0690 7.4197 7.4197 7.4212 7.4212 8.3423 8.3423 8.3896 8.3896 8.9667 8.9667 9.0447 9.0447 11.2522 11.2522 11.2782 11.2782 11.5392 11.5392 11.5477 11.5477 11.9574 11.9574 k = 0.0780 0.1351 0.2546 ( 5492 PWs) bands (ev): -18.1447 -18.1447 -18.1441 -18.1441 -4.8388 -4.8388 -4.8381 -4.8381 -3.0336 -3.0336 -3.0318 -3.0318 -2.7302 -2.7302 -2.7296 -2.7296 -0.1398 -0.1398 -0.1361 -0.1361 3.9280 3.9280 3.9335 3.9335 4.2737 4.2737 4.2811 4.2811 4.4855 4.4855 4.4923 4.4923 4.8813 4.8813 4.8920 4.8920 5.0499 5.0499 5.0609 5.0609 7.4081 7.4081 7.4087 7.4087 8.4467 8.4467 8.4943 8.4943 9.0152 9.0152 9.0895 9.0895 11.2291 11.2291 11.2533 11.2533 11.5466 11.5466 11.5580 11.5580 11.9812 11.9812 k = 0.0709 0.1228 0.2546 ( 5504 PWs) bands (ev): -18.1455 -18.1455 -18.1450 -18.1450 -4.8366 -4.8366 -4.8359 -4.8359 -3.0331 -3.0331 -3.0317 -3.0317 -2.7215 -2.7215 -2.7209 -2.7209 -0.1463 -0.1463 -0.1435 -0.1435 3.9210 3.9210 3.9250 3.9250 4.2678 4.2678 4.2736 4.2736 4.4837 4.4837 4.4894 4.4894 4.8859 4.8859 4.8953 4.8953 5.0435 5.0435 5.0529 5.0529 7.3944 7.3944 7.3945 7.3945 8.5532 8.5532 8.6002 8.6002 9.0621 9.0621 9.1321 9.1321 11.1864 11.1864 11.2079 11.2079 11.5657 11.5657 11.5791 11.5791 12.0160 12.0160 k = 0.0638 0.1106 0.2546 ( 5500 PWs) bands (ev): -18.1463 -18.1463 -18.1457 -18.1457 -4.8345 -4.8345 -4.8339 -4.8339 -3.0328 -3.0328 -3.0317 -3.0317 -2.7133 -2.7133 -2.7127 -2.7127 -0.1524 -0.1524 -0.1504 -0.1504 3.9145 3.9145 3.9173 3.9173 4.2623 4.2623 4.2668 4.2668 4.4823 4.4823 4.4870 4.4870 4.8908 4.8908 4.8987 4.8987 5.0372 5.0372 5.0450 5.0450 7.3796 7.3796 7.3797 7.3797 8.6602 8.6602 8.7059 8.7059 9.1069 9.1069 9.1720 9.1720 11.1310 11.1310 11.1495 11.1495 11.5916 11.5916 11.6056 11.6056 12.0586 12.0586 k = 0.0567 0.0983 0.2546 ( 5500 PWs) bands (ev): -18.1470 -18.1470 -18.1464 -18.1464 -4.8327 -4.8327 -4.8321 -4.8321 -3.0325 -3.0325 -3.0317 -3.0317 -2.7057 -2.7057 -2.7051 -2.7051 -0.1582 -0.1582 -0.1567 -0.1567 3.9085 3.9085 3.9105 3.9105 4.2573 4.2573 4.2606 4.2606 4.4813 4.4813 4.4849 4.4849 4.8959 4.8959 4.9023 4.9023 5.0310 5.0310 5.0372 5.0372 7.3647 7.3647 7.3649 7.3649 8.7665 8.7665 8.8101 8.8101 9.1492 9.1492 9.2086 9.2086 11.0679 11.0679 11.0834 11.0834 11.6214 11.6214 11.6346 11.6346 12.1054 12.1054 k = 0.0496 0.0860 0.2546 ( 5500 PWs) bands (ev): -18.1476 -18.1476 -18.1470 -18.1470 -4.8311 -4.8311 -4.8305 -4.8305 -3.0324 -3.0324 -3.0317 -3.0317 -2.6987 -2.6987 -2.6981 -2.6981 -0.1634 -0.1634 -0.1624 -0.1624 3.9032 3.9032 3.9045 3.9045 4.2528 4.2528 4.2551 4.2551 4.4806 4.4806 4.4831 4.4831 4.9011 4.9011 4.9060 4.9060 5.0250 5.0250 5.0298 5.0298 7.3503 7.3503 7.3505 7.3505 8.8705 8.8705 8.9112 8.9112 9.1884 9.1884 9.2416 9.2416 11.0007 11.0007 11.0129 11.0129 11.6533 11.6533 11.6648 11.6648 12.1526 12.1526 k = 0.0426 0.0737 0.2546 ( 5502 PWs) bands (ev): -18.1481 -18.1481 -18.1476 -18.1476 -4.8297 -4.8297 -4.8291 -4.8291 -3.0323 -3.0323 -3.0318 -3.0318 -2.6924 -2.6924 -2.6919 -2.6919 -0.1681 -0.1681 -0.1675 -0.1675 3.8985 3.8985 3.8993 3.8993 4.2489 4.2489 4.2503 4.2503 4.4800 4.4800 4.4817 4.4817 4.9063 4.9063 4.9098 4.9098 5.0193 5.0193 5.0227 5.0227 7.3370 7.3370 7.3372 7.3372 8.9704 8.9704 9.0076 9.0076 9.2243 9.2243 9.2707 9.2707 10.9319 10.9319 10.9411 10.9411 11.6863 11.6863 11.6957 11.6957 12.1965 12.1965 k = 0.0355 0.0614 0.2546 ( 5494 PWs) bands (ev): -18.1486 -18.1486 -18.1480 -18.1480 -4.8285 -4.8285 -4.8279 -4.8279 -3.0323 -3.0323 -3.0318 -3.0318 -2.6870 -2.6870 -2.6864 -2.6864 -0.1722 -0.1722 -0.1718 -0.1718 3.8946 3.8946 3.8950 3.8950 4.2455 4.2455 4.2464 4.2464 4.4795 4.4795 4.4805 4.4805 4.9113 4.9113 4.9137 4.9137 5.0138 5.0138 5.0161 5.0161 7.3252 7.3252 7.3253 7.3253 9.0642 9.0642 9.0970 9.0970 9.2565 9.2565 9.2954 9.2954 10.8644 10.8644 10.8707 10.8707 11.7196 11.7196 11.7264 11.7264 12.2337 12.2337 k = 0.0284 0.0491 0.2546 ( 5504 PWs) bands (ev): -18.1490 -18.1490 -18.1484 -18.1484 -4.8275 -4.8275 -4.8270 -4.8270 -3.0323 -3.0323 -3.0318 -3.0318 -2.6824 -2.6824 -2.6819 -2.6819 -0.1756 -0.1756 -0.1754 -0.1754 3.8912 3.8912 3.8914 3.8914 4.2426 4.2426 4.2431 4.2431 4.4791 4.4791 4.4796 4.4796 4.9160 4.9160 4.9173 4.9173 5.0088 5.0088 5.0101 5.0101 7.3150 7.3150 7.3151 7.3151 9.1492 9.1492 9.1763 9.1763 9.2849 9.2849 9.3158 9.3158 10.8010 10.8010 10.8048 10.8048 11.7515 11.7515 11.7558 11.7558 12.2617 12.2617 k = 0.0213 0.0369 0.2546 ( 5504 PWs) bands (ev): -18.1493 -18.1493 -18.1487 -18.1487 -4.8267 -4.8267 -4.8262 -4.8262 -3.0323 -3.0323 -3.0318 -3.0318 -2.6788 -2.6788 -2.6783 -2.6783 -0.1783 -0.1783 -0.1782 -0.1782 3.8886 3.8886 3.8887 3.8887 4.2404 4.2404 4.2406 4.2406 4.4788 4.4788 4.4790 4.4790 4.9201 4.9201 4.9207 4.9207 5.0044 5.0044 5.0050 5.0050 7.3069 7.3069 7.3069 7.3069 9.2216 9.2216 9.2413 9.2413 9.3103 9.3103 9.3318 9.3318 10.7452 10.7452 10.7470 10.7470 11.7801 11.7801 11.7824 11.7824 12.2794 12.2794 k = 0.0142 0.0246 0.2546 ( 5496 PWs) bands (ev): -18.1495 -18.1495 -18.1489 -18.1489 -4.8262 -4.8262 -4.8257 -4.8257 -3.0323 -3.0323 -3.0319 -3.0319 -2.6762 -2.6762 -2.6757 -2.6757 -0.1803 -0.1803 -0.1803 -0.1803 3.8867 3.8867 3.8867 3.8867 4.2388 4.2388 4.2388 4.2388 4.4785 4.4785 4.4786 4.4786 4.9233 4.9233 4.9235 4.9235 5.0010 5.0010 5.0012 5.0012 7.3009 7.3009 7.3010 7.3010 9.2768 9.2768 9.2868 9.2868 9.3338 9.3338 9.3444 9.3444 10.7008 10.7008 10.7014 10.7014 11.8032 11.8032 11.8040 11.8040 12.2878 12.2878 k = 0.0071 0.0123 0.2546 ( 5500 PWs) bands (ev): -18.1496 -18.1496 -18.1491 -18.1491 -4.8259 -4.8259 -4.8254 -4.8254 -3.0324 -3.0324 -3.0319 -3.0319 -2.6746 -2.6746 -2.6741 -2.6741 -0.1815 -0.1815 -0.1815 -0.1815 3.8856 3.8856 3.8856 3.8856 4.2378 4.2378 4.2378 4.2378 4.4784 4.4784 4.4784 4.4784 4.9253 4.9253 4.9253 4.9253 4.9987 4.9987 4.9987 4.9987 7.2973 7.2973 7.2974 7.2974 9.3090 9.3090 9.3107 9.3107 9.3533 9.3533 9.3551 9.3551 10.6719 10.6719 10.6720 10.6720 11.8181 11.8181 11.8184 11.8184 12.2900 12.2907 k = 0.0000 0.0000 0.2546 ( 5532 PWs) bands (ev): -18.1497 -18.1497 -18.1491 -18.1491 -4.8258 -4.8258 -4.8252 -4.8252 -3.0324 -3.0324 -3.0319 -3.0319 -2.6741 -2.6741 -2.6735 -2.6735 -0.1819 -0.1819 -0.1819 -0.1819 3.8851 3.8851 3.8851 3.8851 4.2374 4.2374 4.2374 4.2374 4.4783 4.4783 4.4783 4.4783 4.9260 4.9260 4.9260 4.9260 4.9978 4.9978 4.9978 4.9978 7.2961 7.2961 7.2961 7.2961 9.3181 9.3181 9.3181 9.3181 9.3606 9.3606 9.3607 9.3607 10.6618 10.6618 10.6618 10.6618 11.8233 11.8233 11.8235 11.8235 12.2895 12.2897 k = 0.5000 0.2887 0.2546 ( 5504 PWs) bands (ev): -18.1203 -18.1203 -18.1198 -18.1198 -4.9206 -4.9206 -4.9200 -4.9200 -3.1200 -3.1200 -3.1195 -3.1195 -2.8438 -2.8438 -2.8433 -2.8433 0.0292 0.0292 0.0292 0.0292 4.2980 4.2980 4.2980 4.2980 4.4433 4.4433 4.4433 4.4433 4.7424 4.7424 4.7424 4.7424 4.9020 4.9020 4.9020 4.9020 5.2034 5.2034 5.2034 5.2034 5.8074 5.8074 5.8074 5.8074 7.8171 7.8171 7.8171 7.8171 8.3514 8.3514 8.3514 8.3514 10.2689 10.2689 10.2691 10.2691 11.9318 11.9318 11.9319 11.9319 14.2072 14.2072 k = 0.5000 0.2887 0.2405 ( 5512 PWs) bands (ev): -18.1209 -18.1209 -18.1192 -18.1192 -4.9215 -4.9215 -4.9191 -4.9191 -3.1229 -3.1229 -3.1170 -3.1170 -2.8494 -2.8494 -2.8372 -2.8372 0.0064 0.0064 0.0521 0.0521 4.2924 4.2924 4.3035 4.3035 4.4396 4.4396 4.4468 4.4468 4.7322 4.7322 4.7526 4.7526 4.8967 4.8967 4.9074 4.9074 5.1915 5.1915 5.2149 5.2149 5.7679 5.7679 5.8484 5.8484 7.7790 7.7790 7.8557 7.8557 8.3201 8.3201 8.3822 8.3822 10.2607 10.2607 10.2724 10.2724 11.9318 11.9318 11.9423 11.9423 14.1659 14.1659 k = 0.5000 0.2887 0.2264 ( 5506 PWs) bands (ev): -18.1216 -18.1216 -18.1184 -18.1184 -4.9227 -4.9227 -4.9181 -4.9181 -3.1262 -3.1262 -3.1144 -3.1144 -2.8546 -2.8546 -2.8304 -2.8304 -0.0163 -0.0163 0.0748 0.0748 4.2868 4.2868 4.3088 4.3088 4.4357 4.4357 4.4501 4.4501 4.7219 4.7219 4.7627 4.7627 4.8914 4.8914 4.9128 4.9128 5.1792 5.1792 5.2259 5.2259 5.7303 5.7303 5.8906 5.8906 7.7415 7.7415 7.8943 7.8943 8.2884 8.2884 8.4122 8.4122 10.2477 10.2477 10.2710 10.2710 11.9422 11.9422 11.9627 11.9627 14.1240 14.1240 k = 0.5000 0.2887 0.2122 ( 5506 PWs) bands (ev): -18.1224 -18.1224 -18.1177 -18.1177 -4.9240 -4.9240 -4.9171 -4.9171 -3.1296 -3.1296 -3.1123 -3.1123 -2.8592 -2.8592 -2.8233 -2.8233 -0.0386 -0.0386 0.0971 0.0971 4.2811 4.2811 4.3140 4.3140 4.4316 4.4316 4.4532 4.4532 4.7117 4.7117 4.7726 4.7726 4.8862 4.8862 4.9183 4.9183 5.1666 5.1666 5.2364 5.2364 5.6947 5.6947 5.9338 5.9338 7.7049 7.7049 7.9328 7.9328 8.2566 8.2566 8.4413 8.4413 10.2306 10.2306 10.2651 10.2651 11.9630 11.9630 11.9922 11.9922 14.0818 14.0818 k = 0.5000 0.2887 0.1981 ( 5514 PWs) bands (ev): -18.1232 -18.1232 -18.1169 -18.1169 -4.9253 -4.9253 -4.9162 -4.9162 -3.1331 -3.1331 -3.1104 -3.1104 -2.8631 -2.8631 -2.8159 -2.8159 -0.0604 -0.0604 0.1190 0.1190 4.2754 4.2754 4.3190 4.3190 4.4274 4.4274 4.4562 4.4562 4.7016 4.7016 4.7823 4.7823 4.8812 4.8812 4.9236 4.9236 5.1537 5.1537 5.2463 5.2463 5.6612 5.6612 5.9775 5.9775 7.6695 7.6695 7.9708 7.9708 8.2249 8.2249 8.4692 8.4692 10.2098 10.2098 10.2551 10.2551 11.9937 11.9937 12.0299 12.0299 14.0390 14.0390 k = 0.5000 0.2887 0.1839 ( 5504 PWs) bands (ev): -18.1239 -18.1239 -18.1162 -18.1162 -4.9267 -4.9267 -4.9154 -4.9154 -3.1366 -3.1366 -3.1090 -3.1090 -2.8664 -2.8664 -2.8084 -2.8084 -0.0816 -0.0816 0.1402 0.1402 4.2699 4.2699 4.3238 4.3238 4.4230 4.4230 4.4589 4.4589 4.6918 4.6918 4.7918 4.7918 4.8764 4.8764 4.9288 4.9288 5.1408 5.1408 5.2556 5.2556 5.6302 5.6302 6.0213 6.0213 7.6355 7.6355 8.0080 8.0080 8.1937 8.1937 8.4959 8.4959 10.1863 10.1863 10.2418 10.2418 12.0335 12.0335 12.0748 12.0748 13.9955 13.9955 k = 0.5000 0.2887 0.1698 ( 5510 PWs) bands (ev): -18.1246 -18.1246 -18.1155 -18.1155 -4.9280 -4.9280 -4.9147 -4.9147 -3.1402 -3.1402 -3.1079 -3.1079 -2.8690 -2.8690 -2.8009 -2.8009 -0.1019 -0.1019 0.1605 0.1605 4.2644 4.2644 4.3284 4.3284 4.4185 4.4185 4.4614 4.4614 4.6822 4.6822 4.8010 4.8010 4.8717 4.8717 4.9340 4.9340 5.1278 5.1278 5.2643 5.2643 5.6015 5.6015 6.0649 6.0649 7.6031 7.6031 8.0438 8.0438 8.1633 8.1633 8.5211 8.5211 10.1608 10.1608 10.2260 10.2260 12.0812 12.0812 12.1258 12.1258 13.9509 13.9509 k = 0.5000 0.2887 0.1556 ( 5508 PWs) bands (ev): -18.1253 -18.1253 -18.1148 -18.1148 -4.9293 -4.9293 -4.9140 -4.9140 -3.1436 -3.1436 -3.1072 -3.1072 -2.8711 -2.8711 -2.7934 -2.7934 -0.1213 -0.1213 0.1800 0.1800 4.2590 4.2590 4.3327 4.3327 4.4139 4.4139 4.4638 4.4638 4.6730 4.6730 4.8098 4.8098 4.8674 4.8674 4.9390 4.9390 5.1150 5.1150 5.2724 5.2724 5.5753 5.5753 6.1077 6.1077 7.5725 7.5725 8.0770 8.0770 8.1351 8.1351 8.5448 8.5448 10.1341 10.1341 10.2085 10.2085 12.1353 12.1353 12.1822 12.1822 13.9047 13.9047 k = 0.5000 0.2887 0.1415 ( 5512 PWs) bands (ev): -18.1259 -18.1259 -18.1142 -18.1142 -4.9306 -4.9306 -4.9135 -4.9135 -3.1469 -3.1469 -3.1067 -3.1067 -2.8725 -2.8725 -2.7861 -2.7861 -0.1395 -0.1395 0.1982 0.1982 4.2539 4.2539 4.3368 4.3368 4.4092 4.4092 4.4659 4.4659 4.6642 4.6642 4.8182 4.8182 4.8635 4.8635 4.9439 4.9439 5.1023 5.1023 5.2798 5.2798 5.5516 5.5516 6.1493 6.1493 7.5438 7.5438 8.0933 8.0933 8.1232 8.1232 8.5668 8.5668 10.1070 10.1070 10.1901 10.1901 12.1939 12.1939 12.2437 12.2437 13.8563 13.8563 k = 0.5000 0.2887 0.1273 ( 5500 PWs) bands (ev): -18.1265 -18.1265 -18.1136 -18.1136 -4.9318 -4.9318 -4.9130 -4.9130 -3.1501 -3.1501 -3.1065 -3.1065 -2.8735 -2.8735 -2.7791 -2.7791 -0.1564 -0.1564 0.2152 0.2152 4.2491 4.2491 4.3407 4.3407 4.4045 4.4045 4.4679 4.4679 4.6560 4.6560 4.8259 4.8259 4.8602 4.8602 4.9486 4.9486 5.0900 5.0900 5.2867 5.2867 5.5304 5.5304 6.1892 6.1892 7.5173 7.5173 8.0724 8.0724 8.1479 8.1479 8.5869 8.5869 10.0802 10.0802 10.1714 10.1714 12.2542 12.2542 12.3108 12.3108 13.8050 13.8050 k = 0.5000 0.2887 0.1132 ( 5504 PWs) bands (ev): -18.1270 -18.1270 -18.1130 -18.1130 -4.9330 -4.9330 -4.9125 -4.9125 -3.1530 -3.1530 -3.1066 -3.1066 -2.8741 -2.8741 -2.7726 -2.7726 -0.1720 -0.1720 0.2309 0.2309 4.2445 4.2445 4.3443 4.3443 4.3999 4.3999 4.4696 4.4696 4.6485 4.6485 4.8326 4.8326 4.8578 4.8578 4.9530 4.9530 5.0781 5.0781 5.2928 5.2928 5.5116 5.5116 6.2269 6.2269 7.4932 7.4932 8.0477 8.0477 8.1759 8.1759 8.6052 8.6052 10.0544 10.0544 10.1531 10.1531 12.3134 12.3134 12.3839 12.3839 13.7498 13.7498 k = 0.5000 0.2887 0.0990 ( 5504 PWs) bands (ev): -18.1275 -18.1275 -18.1126 -18.1126 -4.9340 -4.9340 -4.9122 -4.9122 -3.1556 -3.1556 -3.1067 -3.1067 -2.8743 -2.8743 -2.7665 -2.7665 -0.1860 -0.1860 0.2449 0.2449 4.2403 4.2403 4.3477 4.3477 4.3953 4.3953 4.4712 4.4712 4.6416 4.6416 4.8375 4.8375 4.8570 4.8570 4.9572 4.9572 5.0669 5.0669 5.2983 5.2983 5.4951 5.4951 6.2619 6.2619 7.4715 7.4715 8.0242 8.0242 8.2020 8.2020 8.6216 8.6216 10.0301 10.0301 10.1358 10.1358 12.3695 12.3695 12.4628 12.4628 13.6893 13.6893 k = 0.5000 0.2887 0.0849 ( 5508 PWs) bands (ev): -18.1279 -18.1279 -18.1121 -18.1121 -4.9350 -4.9350 -4.9119 -4.9119 -3.1580 -3.1580 -3.1070 -3.1070 -2.8743 -2.8743 -2.7611 -2.7611 -0.1984 -0.1984 0.2574 0.2574 4.2366 4.2366 4.3509 4.3509 4.3909 4.3909 4.4725 4.4725 4.6355 4.6355 4.8398 4.8398 4.8587 4.8587 4.9611 4.9611 5.0564 5.0564 5.3030 5.3030 5.4811 5.4811 6.2936 6.2936 7.4524 7.4524 8.0029 8.0029 8.2254 8.2254 8.6359 8.6359 10.0080 10.0080 10.1200 10.1200 12.4211 12.4211 12.5467 12.5467 13.6227 13.6227 k = 0.5000 0.2887 0.0707 ( 5508 PWs) bands (ev): -18.1283 -18.1283 -18.1118 -18.1118 -4.9359 -4.9359 -4.9116 -4.9116 -3.1600 -3.1600 -3.1074 -3.1074 -2.8742 -2.8742 -2.7563 -2.7563 -0.2091 -0.2091 0.2681 0.2681 4.2333 4.2333 4.3539 4.3539 4.3866 4.3866 4.4736 4.4736 4.6303 4.6303 4.8399 4.8399 4.8623 4.8623 4.9648 4.9648 5.0468 5.0468 5.3071 5.3071 5.4692 5.4692 6.3215 6.3215 7.4361 7.4361 7.9841 7.9841 8.2458 8.2458 8.6481 8.6481 9.9884 9.9884 10.1060 10.1060 12.4670 12.4670 12.6345 12.6345 13.5497 13.5497 k = 0.5000 0.2887 0.0566 ( 5512 PWs) bands (ev): -18.1286 -18.1286 -18.1115 -18.1115 -4.9366 -4.9366 -4.9114 -4.9114 -3.1617 -3.1617 -3.1077 -3.1077 -2.8740 -2.8740 -2.7523 -2.7523 -0.2179 -0.2179 0.2770 0.2770 4.2306 4.2306 4.3567 4.3567 4.3827 4.3827 4.4746 4.4746 4.6260 4.6260 4.8389 4.8389 4.8665 4.8665 4.9681 4.9681 5.0383 5.0383 5.3105 5.3105 5.4596 5.4596 6.3451 6.3451 7.4226 7.4226 7.9682 7.9682 8.2628 8.2628 8.6582 8.6582 9.9718 9.9718 10.0942 10.0942 12.5063 12.5063 12.7254 12.7254 13.4709 13.4709 k = 0.5000 0.2887 0.0424 ( 5514 PWs) bands (ev): -18.1288 -18.1288 -18.1112 -18.1112 -4.9371 -4.9371 -4.9113 -4.9113 -3.1631 -3.1631 -3.1080 -3.1080 -2.8737 -2.8737 -2.7492 -2.7492 -0.2249 -0.2249 0.2840 0.2840 4.2284 4.2284 4.3594 4.3594 4.3790 4.3790 4.4753 4.4753 4.6226 4.6226 4.8379 4.8379 4.8703 4.8703 4.9710 4.9710 5.0310 5.0310 5.3132 5.3132 5.4522 5.4522 6.3640 6.3640 7.4120 7.4120 7.9555 7.9555 8.2763 8.2763 8.6660 8.6660 9.9586 9.9586 10.0847 10.0847 12.5381 12.5381 12.8181 12.8181 13.3871 13.3871 k = 0.5000 0.2887 0.0283 ( 5516 PWs) bands (ev): -18.1290 -18.1290 -18.1110 -18.1110 -4.9375 -4.9375 -4.9112 -4.9112 -3.1641 -3.1641 -3.1083 -3.1083 -2.8735 -2.8735 -2.7468 -2.7468 -0.2299 -0.2299 0.2890 0.2890 4.2268 4.2268 4.3619 4.3619 4.3757 4.3757 4.4758 4.4758 4.6201 4.6201 4.8370 4.8370 4.8733 4.8733 4.9734 4.9734 5.0255 5.0255 5.3151 5.3151 5.4469 5.4469 6.3778 6.3778 7.4043 7.4043 7.9462 7.9462 8.2860 8.2860 8.6717 8.6717 9.9489 9.9489 10.0778 10.0778 12.5614 12.5614 12.9113 12.9113 13.3000 13.3000 k = 0.5000 0.2887 0.0141 ( 5510 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9378 -4.9378 -4.9111 -4.9111 -3.1646 -3.1646 -3.1085 -3.1085 -2.8734 -2.8734 -2.7454 -2.7454 -0.2329 -0.2329 0.2921 0.2921 4.2258 4.2258 4.3642 4.3642 4.3730 4.3730 4.4761 4.4761 4.6186 4.6186 4.8364 4.8364 4.8753 4.8753 4.9751 4.9751 5.0218 5.0218 5.3162 5.3162 5.4437 5.4437 6.3863 6.3863 7.3997 7.3997 7.9405 7.9405 8.2919 8.2919 8.6750 8.6750 9.9430 9.9430 10.0736 10.0736 12.5756 12.5756 13.0019 13.0019 13.2129 13.2129 k = 0.5000 0.2887-0.0000 ( 5514 PWs) bands (ev): -18.1291 -18.1291 -18.1109 -18.1109 -4.9379 -4.9379 -4.9111 -4.9111 -3.1648 -3.1648 -3.1085 -3.1085 -2.8733 -2.8733 -2.7450 -2.7450 -0.2339 -0.2339 0.2931 0.2931 4.2255 4.2255 4.3653 4.3653 4.3717 4.3717 4.4762 4.4762 4.6182 4.6182 4.8362 4.8362 4.8759 4.8759 4.9756 4.9756 5.0206 5.0206 5.3166 5.3166 5.4427 5.4427 6.3891 6.3891 7.3982 7.3982 7.9387 7.9387 8.2939 8.2939 8.6762 8.6762 9.9411 9.9411 10.0722 10.0722 12.5804 12.5804 13.0618 13.0618 13.1542 13.1542 k = 0.3333 0.5774-0.0000 ( 5463 PWs) bands (ev): -18.1252 -18.1252 -18.1074 -18.1074 -4.9402 -4.9402 -4.9175 -4.9175 -3.1542 -3.1542 -3.0468 -3.0468 -2.9775 -2.9775 -2.8332 -2.8332 0.0349 0.0349 0.1098 0.1098 4.2508 4.2508 4.2868 4.2868 4.3433 4.3433 4.6987 4.6987 4.7597 4.7597 4.7994 4.7994 4.8400 4.8400 4.8742 4.8742 5.2657 5.2657 5.5070 5.5070 5.8529 5.8529 5.9644 5.9644 6.3372 6.3372 7.6327 7.6327 8.3403 8.3403 8.3646 8.3646 10.9953 10.9953 11.0695 11.0695 11.9628 11.9628 12.0095 12.0095 12.9661 12.9661 k = 0.3333 0.5774 0.0141 ( 5475 PWs) bands (ev): -18.1252 -18.1252 -18.1075 -18.1075 -4.9401 -4.9401 -4.9175 -4.9175 -3.1540 -3.1540 -3.0464 -3.0464 -2.9778 -2.9778 -2.8336 -2.8336 0.0349 0.0349 0.1099 0.1099 4.2504 4.2504 4.2865 4.2865 4.3433 4.3433 4.6988 4.6988 4.7594 4.7594 4.7993 4.7993 4.8401 4.8401 4.8743 4.8743 5.2656 5.2656 5.5074 5.5074 5.8529 5.8529 5.9643 5.9643 6.3398 6.3398 7.6302 7.6302 8.3406 8.3406 8.3648 8.3648 10.9912 10.9912 11.0652 11.0652 11.9686 11.9686 12.0151 12.0151 12.9682 12.9682 k = 0.3333 0.5774 0.0283 ( 5478 PWs) bands (ev): -18.1251 -18.1251 -18.1076 -18.1076 -4.9400 -4.9400 -4.9176 -4.9176 -3.1531 -3.1531 -3.0454 -3.0454 -2.9788 -2.9788 -2.8350 -2.8350 0.0350 0.0350 0.1102 0.1102 4.2495 4.2495 4.2860 4.2860 4.3435 4.3435 4.6989 4.6989 4.7586 4.7586 4.7990 4.7990 4.8407 4.8407 4.8747 4.8747 5.2653 5.2653 5.5085 5.5085 5.8529 5.8529 5.9638 5.9638 6.3473 6.3473 7.6227 7.6227 8.3415 8.3415 8.3654 8.3654 10.9790 10.9790 11.0528 11.0528 11.9855 11.9855 12.0315 12.0315 12.9746 12.9746 k = 0.3333 0.5774 0.0424 ( 5484 PWs) bands (ev): -18.1249 -18.1249 -18.1077 -18.1077 -4.9397 -4.9397 -4.9176 -4.9176 -3.1518 -3.1518 -3.0438 -3.0438 -2.9803 -2.9803 -2.8374 -2.8374 0.0352 0.0352 0.1107 0.1107 4.2481 4.2481 4.2851 4.2851 4.3438 4.3438 4.6992 4.6992 4.7575 4.7575 4.7983 4.7983 4.8416 4.8416 4.8752 4.8752 5.2649 5.2649 5.5103 5.5103 5.8528 5.8528 5.9630 5.9630 6.3598 6.3598 7.6102 7.6102 8.3429 8.3429 8.3664 8.3664 10.9598 10.9598 11.0333 11.0333 12.0126 12.0126 12.0580 12.0580 12.9852 12.9852 k = 0.3333 0.5774 0.0566 ( 5487 PWs) bands (ev): -18.1247 -18.1247 -18.1080 -18.1080 -4.9392 -4.9392 -4.9177 -4.9177 -3.1499 -3.1499 -3.0415 -3.0415 -2.9825 -2.9825 -2.8406 -2.8406 0.0355 0.0355 0.1113 0.1113 4.2461 4.2461 4.2838 4.2838 4.3442 4.3442 4.6996 4.6996 4.7560 4.7560 4.7973 4.7973 4.8430 4.8430 4.8759 4.8759 5.2643 5.2643 5.5128 5.5128 5.8527 5.8527 5.9618 5.9618 6.3771 6.3771 7.5929 7.5929 8.3449 8.3449 8.3678 8.3678 10.9348 10.9348 11.0082 11.0082 12.0483 12.0483 12.0931 12.0931 13.0000 13.0000 k = 0.3333 0.5774 0.0707 ( 5481 PWs) bands (ev): -18.1244 -18.1244 -18.1083 -18.1083 -4.9387 -4.9387 -4.9178 -4.9178 -3.1474 -3.1474 -3.0385 -3.0385 -2.9853 -2.9853 -2.8448 -2.8448 0.0358 0.0358 0.1121 0.1121 4.2438 4.2438 4.2823 4.2823 4.3447 4.3447 4.7001 4.7001 4.7545 4.7545 4.7958 4.7958 4.8449 4.8449 4.8767 4.8767 5.2637 5.2637 5.5158 5.5158 5.8526 5.8526 5.9605 5.9605 6.3991 6.3991 7.5708 7.5708 8.3473 8.3473 8.3695 8.3695 10.9056 10.9056 10.9791 10.9791 12.0912 12.0912 12.1356 12.1356 13.0191 13.0191 k = 0.3333 0.5774 0.0849 ( 5469 PWs) bands (ev): -18.1240 -18.1240 -18.1086 -18.1086 -4.9381 -4.9381 -4.9180 -4.9180 -3.1445 -3.1445 -3.0349 -3.0349 -2.9886 -2.9886 -2.8497 -2.8497 0.0361 0.0361 0.1130 0.1130 4.2411 4.2411 4.2806 4.2806 4.3452 4.3452 4.7007 4.7007 4.7530 4.7530 4.7938 4.7938 4.8471 4.8471 4.8776 4.8776 5.2630 5.2630 5.5194 5.5194 5.8525 5.8525 5.9588 5.9588 6.4255 6.4255 7.5443 7.5443 8.3502 8.3502 8.3715 8.3715 10.8737 10.8737 10.9475 10.9475 12.1399 12.1399 12.1839 12.1839 13.0423 13.0423 k = 0.3333 0.5774 0.0990 ( 5499 PWs) bands (ev): -18.1236 -18.1236 -18.1091 -18.1091 -4.9374 -4.9374 -4.9182 -4.9182 -3.1412 -3.1412 -3.0307 -3.0307 -2.9924 -2.9924 -2.8554 -2.8554 0.0365 0.0365 0.1140 0.1140 4.2380 4.2380 4.2787 4.2787 4.3458 4.3458 4.7012 4.7012 4.7515 4.7515 4.7914 4.7914 4.8495 4.8495 4.8783 4.8783 5.2622 5.2622 5.5234 5.5234 5.8524 5.8524 5.9570 5.9570 6.4560 6.4560 7.5134 7.5134 8.3534 8.3534 8.3737 8.3737 10.8402 10.8402 10.9147 10.9147 12.1930 12.1930 12.2370 12.2370 13.0697 13.0697 k = 0.3333 0.5774 0.1132 ( 5499 PWs) bands (ev): -18.1232 -18.1232 -18.1095 -18.1095 -4.9366 -4.9366 -4.9184 -4.9184 -3.1374 -3.1374 -3.0259 -3.0259 -2.9966 -2.9966 -2.8618 -2.8618 0.0369 0.0369 0.1151 0.1151 4.2348 4.2348 4.2767 4.2767 4.3464 4.3464 4.7018 4.7018 4.7502 4.7502 4.7886 4.7886 4.8521 4.8521 4.8791 4.8791 5.2615 5.2615 5.5277 5.5277 5.8524 5.8524 5.9550 5.9550 6.4905 6.4905 7.4785 7.4785 8.3569 8.3569 8.3761 8.3761 10.8065 10.8065 10.8818 10.8818 12.2496 12.2496 12.2938 12.2938 13.1013 13.1013 k = 0.3333 0.5774 0.1273 ( 5505 PWs) bands (ev): -18.1226 -18.1226 -18.1101 -18.1101 -4.9357 -4.9357 -4.9187 -4.9187 -3.1333 -3.1333 -3.0205 -3.0205 -3.0012 -3.0012 -2.8688 -2.8688 0.0373 0.0373 0.1162 0.1162 4.2315 4.2315 4.2747 4.2747 4.3469 4.3469 4.7024 4.7024 4.7492 4.7492 4.7856 4.7856 4.8549 4.8549 4.8797 4.8797 5.2608 5.2608 5.5321 5.5321 5.8523 5.8523 5.9529 5.9529 6.5286 6.5286 7.4399 7.4399 8.3606 8.3606 8.3786 8.3786 10.7735 10.7735 10.8498 10.8498 12.3087 12.3087 12.3532 12.3532 13.1370 13.1370 k = 0.3333 0.5774 0.1415 ( 5517 PWs) bands (ev): -18.1221 -18.1221 -18.1106 -18.1106 -4.9349 -4.9349 -4.9189 -4.9189 -3.1288 -3.1288 -3.0146 -3.0146 -3.0061 -3.0061 -2.8764 -2.8764 0.0377 0.0377 0.1174 0.1174 4.2282 4.2282 4.2727 4.2727 4.3475 4.3475 4.7030 4.7030 4.7485 4.7485 4.7824 4.7824 4.8576 4.8576 4.8802 4.8802 5.2601 5.2601 5.5366 5.5366 5.8523 5.8523 5.9507 5.9507 6.5700 6.5700 7.3979 7.3979 8.3644 8.3644 8.3810 8.3810 10.7420 10.7420 10.8195 10.8195 12.3692 12.3692 12.4143 12.4143 13.1768 13.1768 k = 0.3333 0.5774 0.1556 ( 5517 PWs) bands (ev): -18.1215 -18.1215 -18.1112 -18.1112 -4.9340 -4.9340 -4.9193 -4.9193 -3.1241 -3.1241 -3.0113 -3.0113 -3.0081 -3.0081 -2.8844 -2.8844 0.0381 0.0381 0.1184 0.1184 4.2251 4.2251 4.2708 4.2708 4.3480 4.3480 4.7036 4.7036 4.7481 4.7481 4.7792 4.7792 4.8602 4.8602 4.8805 4.8805 5.2595 5.2595 5.5410 5.5410 5.8523 5.8523 5.9486 5.9486 6.6144 6.6144 7.3528 7.3528 8.3680 8.3680 8.3835 8.3835 10.7127 10.7127 10.7914 10.7914 12.4305 12.4305 12.4763 12.4763 13.2205 13.2205 k = 0.3333 0.5774 0.1698 ( 5517 PWs) bands (ev): -18.1208 -18.1208 -18.1119 -18.1119 -4.9331 -4.9331 -4.9196 -4.9196 -3.1193 -3.1193 -3.0165 -3.0165 -3.0012 -3.0012 -2.8929 -2.8929 0.0385 0.0385 0.1195 0.1195 4.2221 4.2221 4.2689 4.2689 4.3485 4.3485 4.7041 4.7041 4.7480 4.7480 4.7759 4.7759 4.8628 4.8628 4.8807 4.8807 5.2591 5.2591 5.5452 5.5452 5.8523 5.8523 5.9466 5.9466 6.6615 6.6615 7.3051 7.3051 8.3716 8.3716 8.3857 8.3857 10.6861 10.6861 10.7662 10.7662 12.4912 12.4912 12.5381 12.5381 13.2682 13.2682 k = 0.3333 0.5774 0.1839 ( 5514 PWs) bands (ev): -18.1201 -18.1201 -18.1126 -18.1126 -4.9323 -4.9323 -4.9200 -4.9200 -3.1145 -3.1145 -3.0218 -3.0218 -2.9938 -2.9938 -2.9016 -2.9016 0.0389 0.0389 0.1204 0.1204 4.2195 4.2195 4.2673 4.2673 4.3489 4.3489 4.7045 4.7045 4.7483 4.7483 4.7727 4.7727 4.8652 4.8652 4.8808 4.8808 5.2587 5.2587 5.5490 5.5490 5.8523 5.8523 5.9447 5.9447 6.7109 6.7109 7.2551 7.2551 8.3748 8.3748 8.3878 8.3878 10.6629 10.6629 10.7441 10.7441 12.5502 12.5502 12.5983 12.5983 13.3195 13.3195 k = 0.3333 0.5774 0.1981 ( 5511 PWs) bands (ev): -18.1194 -18.1194 -18.1133 -18.1133 -4.9315 -4.9315 -4.9203 -4.9203 -3.1099 -3.1099 -3.0267 -3.0267 -2.9861 -2.9861 -2.9104 -2.9104 0.0392 0.0392 0.1212 0.1212 4.2173 4.2173 4.2660 4.2660 4.3493 4.3493 4.7049 4.7049 4.7490 4.7490 4.7697 4.7697 4.8673 4.8673 4.8806 4.8806 5.2584 5.2584 5.5523 5.5523 5.8524 5.8524 5.9430 5.9430 6.7621 6.7621 7.2032 7.2032 8.3776 8.3776 8.3896 8.3896 10.6434 10.6434 10.7256 10.7256 12.6054 12.6054 12.6551 12.6551 13.3743 13.3743 k = 0.3333 0.5774 0.2122 ( 5505 PWs) bands (ev): -18.1187 -18.1187 -18.1140 -18.1140 -4.9308 -4.9308 -4.9207 -4.9207 -3.1056 -3.1056 -3.0312 -3.0312 -2.9782 -2.9782 -2.9193 -2.9193 0.0394 0.0394 0.1218 0.1218 4.2154 4.2154 4.2649 4.2649 4.3496 4.3496 4.7052 4.7052 4.7498 4.7498 4.7669 4.7669 4.8692 4.8692 4.8804 4.8804 5.2582 5.2582 5.5550 5.5550 5.8524 5.8524 5.9417 5.9417 6.8148 6.8148 7.1500 7.1500 8.3799 8.3799 8.3911 8.3911 10.6278 10.6278 10.7110 10.7110 12.6545 12.6545 12.7060 12.7060 13.4315 13.4315 k = 0.3333 0.5774 0.2264 ( 5505 PWs) bands (ev): -18.1179 -18.1179 -18.1148 -18.1148 -4.9303 -4.9303 -4.9210 -4.9210 -3.1022 -3.1022 -3.0349 -3.0349 -2.9704 -2.9704 -2.9278 -2.9278 0.0396 0.0396 0.1223 0.1223 4.2141 4.2141 4.2641 4.2641 4.3498 4.3498 4.7054 4.7054 4.7508 4.7508 4.7644 4.7644 4.8706 4.8706 4.8800 4.8800 5.2580 5.2580 5.5570 5.5570 5.8524 5.8524 5.9407 5.9407 6.8683 6.8683 7.0961 7.0961 8.3816 8.3816 8.3921 8.3921 10.6166 10.6166 10.7003 10.7003 12.6940 12.6940 12.7474 12.7474 13.4866 13.4866 k = 0.3333 0.5774 0.2405 ( 5499 PWs) bands (ev): -18.1172 -18.1172 -18.1155 -18.1155 -4.9300 -4.9300 -4.9212 -4.9212 -3.0999 -3.0999 -3.0373 -3.0373 -2.9634 -2.9634 -2.9352 -2.9352 0.0397 0.0397 0.1226 0.1226 4.2133 4.2133 4.2636 4.2636 4.3499 4.3499 4.7056 4.7056 4.7517 4.7517 4.7627 4.7627 4.8716 4.8716 4.8797 4.8797 5.2579 5.2579 5.5583 5.5583 5.8525 5.8525 5.9401 5.9401 6.9210 6.9210 7.0432 7.0432 8.3826 8.3826 8.3928 8.3928 10.6097 10.6097 10.6939 10.6939 12.7201 12.7201 12.7750 12.7750 13.5023 13.5023 k = 0.3333 0.5774 0.2546 ( 5508 PWs) bands (ev): -18.1166 -18.1166 -18.1161 -18.1161 -4.9299 -4.9299 -4.9212 -4.9212 -3.0990 -3.0990 -3.0382 -3.0382 -2.9600 -2.9600 -2.9387 -2.9387 0.0397 0.0397 0.1227 0.1227 4.2130 4.2130 4.2634 4.2634 4.3499 4.3499 4.7056 4.7056 4.7521 4.7521 4.7620 4.7620 4.8720 4.8720 4.8796 4.8796 5.2579 5.2579 5.5587 5.5587 5.8525 5.8525 5.9398 5.9398 6.9571 6.9571 7.0069 7.0069 8.3830 8.3830 8.3930 8.3930 10.6074 10.6074 10.6918 10.6918 12.7293 12.7293 12.7848 12.7848 13.4956 13.4956 Writing output data file BaAgP.save init_run : 0.30s CPU 0.40s WALL ( 1 calls) electrons : 218.30s CPU 221.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 218.30s CPU 221.04s 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 : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 287 calls) cegterg : 201.46s CPU 203.65s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 112.20s CPU 113.58s WALL ( 6663 calls) s_psi : 9.98s CPU 9.99s WALL ( 6663 calls) g_psi : 0.38s CPU 0.34s WALL ( 5979 calls) cdiaghg : 67.64s CPU 68.57s WALL ( 6266 calls) cegterg:over : 9.12s CPU 9.31s WALL ( 5979 calls) cegterg:upda : 8.19s CPU 8.29s WALL ( 5979 calls) cegterg:last : 4.18s CPU 4.10s WALL ( 1061 calls) cdiaghg:chol : 3.82s CPU 3.96s WALL ( 6266 calls) cdiaghg:inve : 2.85s CPU 2.86s WALL ( 6266 calls) cdiaghg:para : 4.76s CPU 4.84s WALL ( 12532 calls) Called by h_psi: h_psi:vloc : 92.09s CPU 93.46s WALL ( 6663 calls) h_psi:vnl : 19.84s CPU 19.81s WALL ( 6663 calls) add_vuspsi : 11.11s CPU 10.98s WALL ( 6663 calls) General routines calbec : 8.70s CPU 8.81s WALL ( 6663 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.51s CPU 88.11s WALL ( 842040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 574 calls) Parallel routines fft_scatter : 26.24s CPU 26.85s WALL ( 842063 calls) PWSCF : 3m58.73s CPU 4m10.71s WALL This run was terminated on: 18:20:12 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=