Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:20:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2PtC2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 60 37 10 2600 1251 192 Max 61 38 11 2605 1282 197 Sum 2161 1345 379 93641 45507 7017 bravais-lattice index = 14 lattice parameter (alat) = 8.5062 a.u. unit-cell volume = 616.3094 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.506224 celldm(2)= 1.000000 celldm(3)= 1.156266 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 1.156266 ) 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 0.864853 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Pt 10.00 195.08400 Pt( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0030675 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0030675 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0030675 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0030675 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0030675 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0030675 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0030675 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0030675 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0030675 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0030675 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0030675 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0030675 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0030675 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0030675 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0030675 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0030675 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0030675 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0030675 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0030675 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0030675 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0030675 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0030675 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0030675 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0030675 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030675 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0030675 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0030675 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0030675 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030675 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0030675 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0030675 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0030675 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030675 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0030675 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0030675 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0030675 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0030675 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0030675 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0030675 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0030675 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0030675 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0030675 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0030675 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0030675 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0030675 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0030675 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0030675 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0030675 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0030675 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0030675 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0030675 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0030675 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0030675 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0030675 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0030675 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0030675 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0030675 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0030675 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0030675 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0030675 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0030675 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0030675 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0030675 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0030675 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0030675 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0030675 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0030675 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0030675 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0030675 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0030675 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0030675 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0030675 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0030675 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0030675 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0030675 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0030675 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0030675 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0030675 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0030675 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0030675 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0030675 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0030675 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0030675 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0030675 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 117) = ( 0.0000000 0.0000000 0.0139492), wk = 0.0030675 k( 118) = ( 0.0000000 0.0000000 0.0278985), wk = 0.0030675 k( 119) = ( 0.0000000 0.0000000 0.0418477), wk = 0.0030675 k( 120) = ( 0.0000000 0.0000000 0.0557970), wk = 0.0030675 k( 121) = ( 0.0000000 0.0000000 0.0697462), wk = 0.0030675 k( 122) = ( 0.0000000 0.0000000 0.0836954), wk = 0.0030675 k( 123) = ( 0.0000000 0.0000000 0.0976447), wk = 0.0030675 k( 124) = ( 0.0000000 0.0000000 0.1115939), wk = 0.0030675 k( 125) = ( 0.0000000 0.0000000 0.1255432), wk = 0.0030675 k( 126) = ( 0.0000000 0.0000000 0.1394924), wk = 0.0030675 k( 127) = ( 0.0000000 0.0000000 0.1534416), wk = 0.0030675 k( 128) = ( 0.0000000 0.0000000 0.1673909), wk = 0.0030675 k( 129) = ( 0.0000000 0.0000000 0.1813401), wk = 0.0030675 k( 130) = ( 0.0000000 0.0000000 0.1952894), wk = 0.0030675 k( 131) = ( 0.0000000 0.0000000 0.2092386), wk = 0.0030675 k( 132) = ( 0.0000000 0.0000000 0.2231879), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.2371371), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.2510863), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.2650356), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.2789848), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.2929341), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.3068833), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.3208325), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.3347818), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.3487310), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.3626803), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.3766295), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.3905787), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.4045280), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.4184772), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.4324265), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.4324265), wk = 0.0030675 k( 149) = ( 0.0121951 0.0070409 0.4324265), wk = 0.0030675 k( 150) = ( 0.0243902 0.0140817 0.4324265), wk = 0.0030675 k( 151) = ( 0.0365854 0.0211226 0.4324265), wk = 0.0030675 k( 152) = ( 0.0487805 0.0281634 0.4324265), wk = 0.0030675 k( 153) = ( 0.0609756 0.0352043 0.4324265), wk = 0.0030675 k( 154) = ( 0.0731707 0.0422451 0.4324265), wk = 0.0030675 k( 155) = ( 0.0853658 0.0492860 0.4324265), wk = 0.0030675 k( 156) = ( 0.0975610 0.0563269 0.4324265), wk = 0.0030675 k( 157) = ( 0.1097561 0.0633677 0.4324265), wk = 0.0030675 k( 158) = ( 0.1219512 0.0704086 0.4324265), wk = 0.0030675 k( 159) = ( 0.1341463 0.0774494 0.4324265), wk = 0.0030675 k( 160) = ( 0.1463415 0.0844903 0.4324265), wk = 0.0030675 k( 161) = ( 0.1585366 0.0915311 0.4324265), wk = 0.0030675 k( 162) = ( 0.1707317 0.0985720 0.4324265), wk = 0.0030675 k( 163) = ( 0.1829268 0.1056129 0.4324265), wk = 0.0030675 k( 164) = ( 0.1951219 0.1126537 0.4324265), wk = 0.0030675 k( 165) = ( 0.2073171 0.1196946 0.4324265), wk = 0.0030675 k( 166) = ( 0.2195122 0.1267354 0.4324265), wk = 0.0030675 k( 167) = ( 0.2317073 0.1337763 0.4324265), wk = 0.0030675 k( 168) = ( 0.2439024 0.1408171 0.4324265), wk = 0.0030675 k( 169) = ( 0.2560976 0.1478580 0.4324265), wk = 0.0030675 k( 170) = ( 0.2682927 0.1548989 0.4324265), wk = 0.0030675 k( 171) = ( 0.2804878 0.1619397 0.4324265), wk = 0.0030675 k( 172) = ( 0.2926829 0.1689806 0.4324265), wk = 0.0030675 k( 173) = ( 0.3048781 0.1760214 0.4324265), wk = 0.0030675 k( 174) = ( 0.3170732 0.1830623 0.4324265), wk = 0.0030675 k( 175) = ( 0.3292683 0.1901031 0.4324265), wk = 0.0030675 k( 176) = ( 0.3414634 0.1971440 0.4324265), wk = 0.0030675 k( 177) = ( 0.3536585 0.2041849 0.4324265), wk = 0.0030675 k( 178) = ( 0.3658537 0.2112257 0.4324265), wk = 0.0030675 k( 179) = ( 0.3780488 0.2182666 0.4324265), wk = 0.0030675 k( 180) = ( 0.3902439 0.2253074 0.4324265), wk = 0.0030675 k( 181) = ( 0.4024390 0.2323483 0.4324265), wk = 0.0030675 k( 182) = ( 0.4146341 0.2393891 0.4324265), wk = 0.0030675 k( 183) = ( 0.4268293 0.2464300 0.4324265), wk = 0.0030675 k( 184) = ( 0.4390244 0.2534708 0.4324265), wk = 0.0030675 k( 185) = ( 0.4512195 0.2605117 0.4324265), wk = 0.0030675 k( 186) = ( 0.4634146 0.2675526 0.4324265), wk = 0.0030675 k( 187) = ( 0.4756098 0.2745934 0.4324265), wk = 0.0030675 k( 188) = ( 0.4878049 0.2816343 0.4324265), wk = 0.0030675 k( 189) = ( 0.5000000 0.2886751 0.4324265), wk = 0.0030675 k( 190) = ( 0.5000000 0.2886751 0.4324265), wk = 0.0030675 k( 191) = ( 0.4930556 0.3007033 0.4324265), wk = 0.0030675 k( 192) = ( 0.4861111 0.3127314 0.4324265), wk = 0.0030675 k( 193) = ( 0.4791667 0.3247595 0.4324265), wk = 0.0030675 k( 194) = ( 0.4722222 0.3367877 0.4324265), wk = 0.0030675 k( 195) = ( 0.4652778 0.3488158 0.4324265), wk = 0.0030675 k( 196) = ( 0.4583333 0.3608439 0.4324265), wk = 0.0030675 k( 197) = ( 0.4513889 0.3728720 0.4324265), wk = 0.0030675 k( 198) = ( 0.4444444 0.3849002 0.4324265), wk = 0.0030675 k( 199) = ( 0.4375000 0.3969283 0.4324265), wk = 0.0030675 k( 200) = ( 0.4305556 0.4089564 0.4324265), wk = 0.0030675 k( 201) = ( 0.4236111 0.4209846 0.4324265), wk = 0.0030675 k( 202) = ( 0.4166667 0.4330127 0.4324265), wk = 0.0030675 k( 203) = ( 0.4097222 0.4450408 0.4324265), wk = 0.0030675 k( 204) = ( 0.4027778 0.4570690 0.4324265), wk = 0.0030675 k( 205) = ( 0.3958333 0.4690971 0.4324265), wk = 0.0030675 k( 206) = ( 0.3888889 0.4811252 0.4324265), wk = 0.0030675 k( 207) = ( 0.3819444 0.4931534 0.4324265), wk = 0.0030675 k( 208) = ( 0.3750000 0.5051815 0.4324265), wk = 0.0030675 k( 209) = ( 0.3680556 0.5172096 0.4324265), wk = 0.0030675 k( 210) = ( 0.3611111 0.5292377 0.4324265), wk = 0.0030675 k( 211) = ( 0.3541667 0.5412659 0.4324265), wk = 0.0030675 k( 212) = ( 0.3472222 0.5532940 0.4324265), wk = 0.0030675 k( 213) = ( 0.3402778 0.5653221 0.4324265), wk = 0.0030675 k( 214) = ( 0.3333333 0.5773503 0.4324265), wk = 0.0030675 k( 215) = ( 0.3333333 0.5773503 0.4324265), wk = 0.0030675 k( 216) = ( 0.3262411 0.5650662 0.4324265), wk = 0.0030675 k( 217) = ( 0.3191489 0.5527822 0.4324265), wk = 0.0030675 k( 218) = ( 0.3120567 0.5404981 0.4324265), wk = 0.0030675 k( 219) = ( 0.3049645 0.5282141 0.4324265), wk = 0.0030675 k( 220) = ( 0.2978723 0.5159300 0.4324265), wk = 0.0030675 k( 221) = ( 0.2907801 0.5036460 0.4324265), wk = 0.0030675 k( 222) = ( 0.2836879 0.4913619 0.4324265), wk = 0.0030675 k( 223) = ( 0.2765957 0.4790779 0.4324265), wk = 0.0030675 k( 224) = ( 0.2695035 0.4667938 0.4324265), wk = 0.0030675 k( 225) = ( 0.2624113 0.4545098 0.4324265), wk = 0.0030675 k( 226) = ( 0.2553191 0.4422257 0.4324265), wk = 0.0030675 k( 227) = ( 0.2482270 0.4299417 0.4324265), wk = 0.0030675 k( 228) = ( 0.2411348 0.4176576 0.4324265), wk = 0.0030675 k( 229) = ( 0.2340425 0.4053736 0.4324265), wk = 0.0030675 k( 230) = ( 0.2269503 0.3930895 0.4324265), wk = 0.0030675 k( 231) = ( 0.2198582 0.3808055 0.4324265), wk = 0.0030675 k( 232) = ( 0.2127660 0.3685215 0.4324265), wk = 0.0030675 k( 233) = ( 0.2056738 0.3562374 0.4324265), wk = 0.0030675 k( 234) = ( 0.1985816 0.3439534 0.4324265), wk = 0.0030675 k( 235) = ( 0.1914894 0.3316693 0.4324265), wk = 0.0030675 k( 236) = ( 0.1843972 0.3193852 0.4324265), wk = 0.0030675 k( 237) = ( 0.1773050 0.3071012 0.4324265), wk = 0.0030675 k( 238) = ( 0.1702128 0.2948172 0.4324265), wk = 0.0030675 k( 239) = ( 0.1631206 0.2825331 0.4324265), wk = 0.0030675 k( 240) = ( 0.1560284 0.2702491 0.4324265), wk = 0.0030675 k( 241) = ( 0.1489362 0.2579650 0.4324265), wk = 0.0030675 k( 242) = ( 0.1418440 0.2456810 0.4324265), wk = 0.0030675 k( 243) = ( 0.1347518 0.2333969 0.4324265), wk = 0.0030675 k( 244) = ( 0.1276596 0.2211129 0.4324265), wk = 0.0030675 k( 245) = ( 0.1205674 0.2088288 0.4324265), wk = 0.0030675 k( 246) = ( 0.1134752 0.1965448 0.4324265), wk = 0.0030675 k( 247) = ( 0.1063830 0.1842607 0.4324265), wk = 0.0030675 k( 248) = ( 0.0992908 0.1719767 0.4324265), wk = 0.0030675 k( 249) = ( 0.0921986 0.1596926 0.4324265), wk = 0.0030675 k( 250) = ( 0.0851064 0.1474086 0.4324265), wk = 0.0030675 k( 251) = ( 0.0780142 0.1351245 0.4324265), wk = 0.0030675 k( 252) = ( 0.0709220 0.1228405 0.4324265), wk = 0.0030675 k( 253) = ( 0.0638298 0.1105564 0.4324265), wk = 0.0030675 k( 254) = ( 0.0567376 0.0982724 0.4324265), wk = 0.0030675 k( 255) = ( 0.0496454 0.0859883 0.4324265), wk = 0.0030675 k( 256) = ( 0.0425532 0.0737043 0.4324265), wk = 0.0030675 k( 257) = ( 0.0354610 0.0614202 0.4324265), wk = 0.0030675 k( 258) = ( 0.0283688 0.0491362 0.4324265), wk = 0.0030675 k( 259) = ( 0.0212766 0.0368522 0.4324265), wk = 0.0030675 k( 260) = ( 0.0141844 0.0245681 0.4324265), wk = 0.0030675 k( 261) = ( 0.0070922 0.0122841 0.4324265), wk = 0.0030675 k( 262) = ( 0.0000000 0.0000000 0.4324265), wk = 0.0030675 k( 263) = ( 0.5000000 0.2886751 0.4324265), wk = 0.0030675 k( 264) = ( 0.5000000 0.2886751 0.4184772), wk = 0.0030675 k( 265) = ( 0.5000000 0.2886751 0.4045280), wk = 0.0030675 k( 266) = ( 0.5000000 0.2886751 0.3905787), wk = 0.0030675 k( 267) = ( 0.5000000 0.2886751 0.3766295), wk = 0.0030675 k( 268) = ( 0.5000000 0.2886751 0.3626803), wk = 0.0030675 k( 269) = ( 0.5000000 0.2886751 0.3487310), wk = 0.0030675 k( 270) = ( 0.5000000 0.2886751 0.3347818), wk = 0.0030675 k( 271) = ( 0.5000000 0.2886751 0.3208325), wk = 0.0030675 k( 272) = ( 0.5000000 0.2886751 0.3068833), wk = 0.0030675 k( 273) = ( 0.5000000 0.2886751 0.2929341), wk = 0.0030675 k( 274) = ( 0.5000000 0.2886751 0.2789848), wk = 0.0030675 k( 275) = ( 0.5000000 0.2886751 0.2650356), wk = 0.0030675 k( 276) = ( 0.5000000 0.2886751 0.2510863), wk = 0.0030675 k( 277) = ( 0.5000000 0.2886751 0.2371371), wk = 0.0030675 k( 278) = ( 0.5000000 0.2886751 0.2231879), wk = 0.0030675 k( 279) = ( 0.5000000 0.2886751 0.2092386), wk = 0.0030675 k( 280) = ( 0.5000000 0.2886751 0.1952894), wk = 0.0030675 k( 281) = ( 0.5000000 0.2886751 0.1813401), wk = 0.0030675 k( 282) = ( 0.5000000 0.2886751 0.1673909), wk = 0.0030675 k( 283) = ( 0.5000000 0.2886751 0.1534416), wk = 0.0030675 k( 284) = ( 0.5000000 0.2886751 0.1394924), wk = 0.0030675 k( 285) = ( 0.5000000 0.2886751 0.1255432), wk = 0.0030675 k( 286) = ( 0.5000000 0.2886751 0.1115939), wk = 0.0030675 k( 287) = ( 0.5000000 0.2886751 0.0976447), wk = 0.0030675 k( 288) = ( 0.5000000 0.2886751 0.0836954), wk = 0.0030675 k( 289) = ( 0.5000000 0.2886751 0.0697462), wk = 0.0030675 k( 290) = ( 0.5000000 0.2886751 0.0557970), wk = 0.0030675 k( 291) = ( 0.5000000 0.2886751 0.0418477), wk = 0.0030675 k( 292) = ( 0.5000000 0.2886751 0.0278985), wk = 0.0030675 k( 293) = ( 0.5000000 0.2886751 0.0139492), wk = 0.0030675 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030675 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030675 k( 296) = ( 0.3333333 0.5773503 0.0139492), wk = 0.0030675 k( 297) = ( 0.3333333 0.5773503 0.0278985), wk = 0.0030675 k( 298) = ( 0.3333333 0.5773503 0.0418477), wk = 0.0030675 k( 299) = ( 0.3333333 0.5773503 0.0557970), wk = 0.0030675 k( 300) = ( 0.3333333 0.5773503 0.0697462), wk = 0.0030675 k( 301) = ( 0.3333333 0.5773503 0.0836954), wk = 0.0030675 k( 302) = ( 0.3333333 0.5773503 0.0976447), wk = 0.0030675 k( 303) = ( 0.3333333 0.5773503 0.1115939), wk = 0.0030675 k( 304) = ( 0.3333333 0.5773503 0.1255432), wk = 0.0030675 k( 305) = ( 0.3333333 0.5773503 0.1394924), wk = 0.0030675 k( 306) = ( 0.3333333 0.5773503 0.1534416), wk = 0.0030675 k( 307) = ( 0.3333333 0.5773503 0.1673909), wk = 0.0030675 k( 308) = ( 0.3333333 0.5773503 0.1813401), wk = 0.0030675 k( 309) = ( 0.3333333 0.5773503 0.1952894), wk = 0.0030675 k( 310) = ( 0.3333333 0.5773503 0.2092386), wk = 0.0030675 k( 311) = ( 0.3333333 0.5773503 0.2231879), wk = 0.0030675 k( 312) = ( 0.3333333 0.5773503 0.2371371), wk = 0.0030675 k( 313) = ( 0.3333333 0.5773503 0.2510863), wk = 0.0030675 k( 314) = ( 0.3333333 0.5773503 0.2650356), wk = 0.0030675 k( 315) = ( 0.3333333 0.5773503 0.2789848), wk = 0.0030675 k( 316) = ( 0.3333333 0.5773503 0.2929341), wk = 0.0030675 k( 317) = ( 0.3333333 0.5773503 0.3068833), wk = 0.0030675 k( 318) = ( 0.3333333 0.5773503 0.3208325), wk = 0.0030675 k( 319) = ( 0.3333333 0.5773503 0.3347818), wk = 0.0030675 k( 320) = ( 0.3333333 0.5773503 0.3487310), wk = 0.0030675 k( 321) = ( 0.3333333 0.5773503 0.3626803), wk = 0.0030675 k( 322) = ( 0.3333333 0.5773503 0.3766295), wk = 0.0030675 k( 323) = ( 0.3333333 0.5773503 0.3905787), wk = 0.0030675 k( 324) = ( 0.3333333 0.5773503 0.4045280), wk = 0.0030675 k( 325) = ( 0.3333333 0.5773503 0.4184772), wk = 0.0030675 k( 326) = ( 0.3333333 0.5773503 0.4324265), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0030675 k( 5) = ( 0.0487805 -0.0000000 0.0000000), wk = 0.0030675 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0030675 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0030675 k( 8) = ( 0.0853658 -0.0000000 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0975610 -0.0000000 0.0000000), wk = 0.0030675 k( 10) = ( 0.1097561 -0.0000000 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0030675 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0030675 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0030675 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0030675 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0030675 k( 19) = ( 0.2195122 -0.0000000 -0.0000000), wk = 0.0030675 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0030675 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0030675 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0030675 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0030675 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0030675 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0030675 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0030675 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0030675 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0030675 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0030675 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0030675 k( 35) = ( 0.4146341 -0.0000000 0.0000000), wk = 0.0030675 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0030675 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0030675 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0030675 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0030675 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0030675 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0030675 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0030675 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0030675 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0030675 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0030675 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0030675 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0030675 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0030675 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0030675 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0030675 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0030675 k( 57) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0030675 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0030675 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0030675 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0030675 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0030675 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0030675 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0030675 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0030675 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0030675 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0030675 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030675 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030675 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0030675 k( 70) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0030675 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0030675 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0030675 k( 73) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0030675 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0030675 k( 75) = ( 0.2836879 0.2836879 0.0000000), wk = 0.0030675 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0030675 k( 77) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0030675 k( 78) = ( 0.2624113 0.2624113 0.0000000), wk = 0.0030675 k( 79) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0030675 k( 80) = ( 0.2482270 0.2482269 0.0000000), wk = 0.0030675 k( 81) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0030675 k( 82) = ( 0.2340425 0.2340426 0.0000000), wk = 0.0030675 k( 83) = ( 0.2269503 0.2269504 0.0000000), wk = 0.0030675 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0030675 k( 85) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0030675 k( 86) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0030675 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0030675 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0030675 k( 89) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0030675 k( 90) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0030675 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0030675 k( 92) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0030675 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0030675 k( 94) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0030675 k( 95) = ( 0.1418440 0.1418440 0.0000000), wk = 0.0030675 k( 96) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0030675 k( 97) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0030675 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0030675 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0030675 k( 100) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0030675 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0030675 k( 102) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0030675 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0030675 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0030675 k( 105) = ( 0.0709220 0.0709220 -0.0000000), wk = 0.0030675 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0030675 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0030675 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0030675 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0030675 k( 110) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0030675 k( 111) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0030675 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0030675 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0030675 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0030675 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 117) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0030675 k( 118) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0030675 k( 119) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0030675 k( 120) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0030675 k( 121) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0030675 k( 122) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0030675 k( 123) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0030675 k( 124) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0030675 k( 125) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0030675 k( 126) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0030675 k( 127) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0030675 k( 128) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0030675 k( 129) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0030675 k( 130) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0030675 k( 131) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0030675 k( 132) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0030675 k( 133) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0030675 k( 134) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0030675 k( 135) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0030675 k( 136) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0030675 k( 137) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0030675 k( 138) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0030675 k( 139) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0030675 k( 140) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0030675 k( 141) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0030675 k( 142) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0030675 k( 143) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0030675 k( 144) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0030675 k( 145) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0030675 k( 146) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0030675 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 149) = ( 0.0121951 -0.0000000 0.5000000), wk = 0.0030675 k( 150) = ( 0.0243902 -0.0000000 0.5000000), wk = 0.0030675 k( 151) = ( 0.0365854 -0.0000000 0.5000000), wk = 0.0030675 k( 152) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0030675 k( 153) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0030675 k( 154) = ( 0.0731707 -0.0000000 0.5000000), wk = 0.0030675 k( 155) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0030675 k( 156) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0030675 k( 157) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0030675 k( 158) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0030675 k( 159) = ( 0.1341463 -0.0000000 0.5000000), wk = 0.0030675 k( 160) = ( 0.1463415 -0.0000000 0.5000000), wk = 0.0030675 k( 161) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0030675 k( 162) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0030675 k( 163) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0030675 k( 164) = ( 0.1951219 -0.0000000 0.5000000), wk = 0.0030675 k( 165) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0030675 k( 166) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0030675 k( 167) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0030675 k( 168) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0030675 k( 169) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0030675 k( 170) = ( 0.2682927 -0.0000000 0.5000000), wk = 0.0030675 k( 171) = ( 0.2804878 -0.0000000 0.5000000), wk = 0.0030675 k( 172) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0030675 k( 173) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0030675 k( 174) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0030675 k( 175) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0030675 k( 176) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0030675 k( 177) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0030675 k( 178) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0030675 k( 179) = ( 0.3780488 -0.0000000 0.5000000), wk = 0.0030675 k( 180) = ( 0.3902439 -0.0000000 0.5000000), wk = 0.0030675 k( 181) = ( 0.4024390 -0.0000000 0.5000000), wk = 0.0030675 k( 182) = ( 0.4146341 -0.0000000 0.5000000), wk = 0.0030675 k( 183) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0030675 k( 184) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0030675 k( 185) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0030675 k( 186) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0030675 k( 187) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0030675 k( 188) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0030675 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 191) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0030675 k( 192) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0030675 k( 193) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0030675 k( 194) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0030675 k( 195) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0030675 k( 196) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0030675 k( 197) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0030675 k( 198) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030675 k( 199) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0030675 k( 200) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0030675 k( 201) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0030675 k( 202) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030675 k( 203) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0030675 k( 204) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0030675 k( 205) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0030675 k( 206) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030675 k( 207) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0030675 k( 208) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0030675 k( 209) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0030675 k( 210) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0030675 k( 211) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0030675 k( 212) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0030675 k( 213) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0030675 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 k( 216) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0030675 k( 217) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0030675 k( 218) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0030675 k( 219) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0030675 k( 220) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0030675 k( 221) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0030675 k( 222) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0030675 k( 223) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0030675 k( 224) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0030675 k( 225) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0030675 k( 226) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0030675 k( 227) = ( 0.2482270 0.2482269 0.5000000), wk = 0.0030675 k( 228) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0030675 k( 229) = ( 0.2340425 0.2340426 0.5000000), wk = 0.0030675 k( 230) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0030675 k( 231) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0030675 k( 232) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0030675 k( 233) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0030675 k( 234) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0030675 k( 235) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0030675 k( 236) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0030675 k( 237) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0030675 k( 238) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0030675 k( 239) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0030675 k( 240) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0030675 k( 241) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0030675 k( 242) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0030675 k( 243) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0030675 k( 244) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0030675 k( 245) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0030675 k( 246) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0030675 k( 247) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0030675 k( 248) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0030675 k( 249) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0030675 k( 250) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0030675 k( 251) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0030675 k( 252) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0030675 k( 253) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0030675 k( 254) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0030675 k( 255) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0030675 k( 256) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0030675 k( 257) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0030675 k( 258) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0030675 k( 259) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0030675 k( 260) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0030675 k( 261) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0030675 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030675 k( 264) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0030675 k( 265) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0030675 k( 266) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0030675 k( 267) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0030675 k( 268) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0030675 k( 269) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0030675 k( 270) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0030675 k( 271) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0030675 k( 272) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0030675 k( 273) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0030675 k( 274) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0030675 k( 275) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0030675 k( 276) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0030675 k( 277) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0030675 k( 278) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0030675 k( 279) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0030675 k( 280) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0030675 k( 281) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0030675 k( 282) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0030675 k( 283) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0030675 k( 284) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0030675 k( 285) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0030675 k( 286) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0030675 k( 287) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0030675 k( 288) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0030675 k( 289) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0030675 k( 290) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0030675 k( 291) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0030675 k( 292) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0030675 k( 293) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0030675 k( 294) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030675 k( 295) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030675 k( 296) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0030675 k( 297) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0030675 k( 298) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0030675 k( 299) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0030675 k( 300) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0030675 k( 301) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0030675 k( 302) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0030675 k( 303) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0030675 k( 304) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0030675 k( 305) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0030675 k( 306) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0030675 k( 307) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0030675 k( 308) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0030675 k( 309) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0030675 k( 310) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0030675 k( 311) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0030675 k( 312) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0030675 k( 313) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0030675 k( 314) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0030675 k( 315) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0030675 k( 316) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0030675 k( 317) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0030675 k( 318) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0030675 k( 319) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0030675 k( 320) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0030675 k( 321) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0030675 k( 322) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0030675 k( 323) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0030675 k( 324) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0030675 k( 325) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0030675 k( 326) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030675 Dense grid: 93641 G-vectors FFT dimensions: ( 60, 60, 72) Smooth grid: 45507 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 318, 44) NL pseudopotentials 0.22 Mb ( 159, 90) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2602) G-vector shells 0.01 Mb ( 1163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 318, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.12 Mb ( 90, 2, 44) The potential is recalculated from file : ./Na2PtC2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.6 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.3 secs Computing kpt #: 16 total cpu time spent up to now is 10.7 secs Computing kpt #: 17 total cpu time spent up to now is 11.1 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.9 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.8 secs Computing kpt #: 25 total cpu time spent up to now is 14.2 secs Computing kpt #: 26 total cpu time spent up to now is 14.6 secs Computing kpt #: 27 total cpu time spent up to now is 15.0 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.8 secs Computing kpt #: 30 total cpu time spent up to now is 16.2 secs Computing kpt #: 31 total cpu time spent up to now is 16.6 secs Computing kpt #: 32 total cpu time spent up to now is 17.0 secs Computing kpt #: 33 total cpu time spent up to now is 17.4 secs Computing kpt #: 34 total cpu time spent up to now is 17.8 secs Computing kpt #: 35 total cpu time spent up to now is 18.3 secs Computing kpt #: 36 total cpu time spent up to now is 18.7 secs Computing kpt #: 37 total cpu time spent up to now is 19.1 secs Computing kpt #: 38 total cpu time spent up to now is 19.6 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.0 secs Computing kpt #: 42 total cpu time spent up to now is 21.4 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.4 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.3 secs Computing kpt #: 47 total cpu time spent up to now is 23.8 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.4 secs Computing kpt #: 52 total cpu time spent up to now is 25.8 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.6 secs Computing kpt #: 55 total cpu time spent up to now is 27.0 secs Computing kpt #: 56 total cpu time spent up to now is 27.4 secs Computing kpt #: 57 total cpu time spent up to now is 27.8 secs Computing kpt #: 58 total cpu time spent up to now is 28.2 secs Computing kpt #: 59 total cpu time spent up to now is 28.5 secs Computing kpt #: 60 total cpu time spent up to now is 28.9 secs Computing kpt #: 61 total cpu time spent up to now is 29.3 secs Computing kpt #: 62 total cpu time spent up to now is 29.7 secs Computing kpt #: 63 total cpu time spent up to now is 30.1 secs Computing kpt #: 64 total cpu time spent up to now is 30.4 secs Computing kpt #: 65 total cpu time spent up to now is 30.8 secs Computing kpt #: 66 total cpu time spent up to now is 31.2 secs Computing kpt #: 67 total cpu time spent up to now is 31.5 secs Computing kpt #: 68 total cpu time spent up to now is 31.9 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.6 secs Computing kpt #: 71 total cpu time spent up to now is 33.0 secs Computing kpt #: 72 total cpu time spent up to now is 33.4 secs Computing kpt #: 73 total cpu time spent up to now is 33.8 secs Computing kpt #: 74 total cpu time spent up to now is 34.1 secs Computing kpt #: 75 total cpu time spent up to now is 34.5 secs Computing kpt #: 76 total cpu time spent up to now is 34.9 secs Computing kpt #: 77 total cpu time spent up to now is 35.3 secs Computing kpt #: 78 total cpu time spent up to now is 35.7 secs Computing kpt #: 79 total cpu time spent up to now is 36.1 secs Computing kpt #: 80 total cpu time spent up to now is 36.5 secs Computing kpt #: 81 total cpu time spent up to now is 36.9 secs Computing kpt #: 82 total cpu time spent up to now is 37.3 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.1 secs Computing kpt #: 85 total cpu time spent up to now is 38.6 secs Computing kpt #: 86 total cpu time spent up to now is 39.0 secs Computing kpt #: 87 total cpu time spent up to now is 39.5 secs Computing kpt #: 88 total cpu time spent up to now is 39.9 secs Computing kpt #: 89 total cpu time spent up to now is 40.3 secs Computing kpt #: 90 total cpu time spent up to now is 40.8 secs Computing kpt #: 91 total cpu time spent up to now is 41.2 secs Computing kpt #: 92 total cpu time spent up to now is 41.7 secs Computing kpt #: 93 total cpu time spent up to now is 42.1 secs Computing kpt #: 94 total cpu time spent up to now is 42.6 secs Computing kpt #: 95 total cpu time spent up to now is 43.0 secs Computing kpt #: 96 total cpu time spent up to now is 43.4 secs Computing kpt #: 97 total cpu time spent up to now is 43.9 secs Computing kpt #: 98 total cpu time spent up to now is 44.3 secs Computing kpt #: 99 total cpu time spent up to now is 44.7 secs Computing kpt #: 100 total cpu time spent up to now is 45.1 secs Computing kpt #: 101 total cpu time spent up to now is 45.5 secs Computing kpt #: 102 total cpu time spent up to now is 45.9 secs Computing kpt #: 103 total cpu time spent up to now is 46.3 secs Computing kpt #: 104 total cpu time spent up to now is 46.7 secs Computing kpt #: 105 total cpu time spent up to now is 47.1 secs Computing kpt #: 106 total cpu time spent up to now is 47.5 secs Computing kpt #: 107 total cpu time spent up to now is 48.0 secs Computing kpt #: 108 total cpu time spent up to now is 48.4 secs Computing kpt #: 109 total cpu time spent up to now is 48.8 secs Computing kpt #: 110 total cpu time spent up to now is 49.3 secs Computing kpt #: 111 total cpu time spent up to now is 49.8 secs Computing kpt #: 112 total cpu time spent up to now is 50.3 secs Computing kpt #: 113 total cpu time spent up to now is 50.8 secs Computing kpt #: 114 total cpu time spent up to now is 51.3 secs Computing kpt #: 115 total cpu time spent up to now is 51.8 secs Computing kpt #: 116 total cpu time spent up to now is 52.3 secs Computing kpt #: 117 total cpu time spent up to now is 52.8 secs Computing kpt #: 118 total cpu time spent up to now is 53.2 secs Computing kpt #: 119 total cpu time spent up to now is 53.6 secs Computing kpt #: 120 total cpu time spent up to now is 54.1 secs Computing kpt #: 121 total cpu time spent up to now is 54.5 secs Computing kpt #: 122 total cpu time spent up to now is 54.9 secs Computing kpt #: 123 total cpu time spent up to now is 55.3 secs Computing kpt #: 124 total cpu time spent up to now is 55.7 secs Computing kpt #: 125 total cpu time spent up to now is 56.1 secs Computing kpt #: 126 total cpu time spent up to now is 56.5 secs Computing kpt #: 127 total cpu time spent up to now is 56.9 secs Computing kpt #: 128 total cpu time spent up to now is 57.3 secs Computing kpt #: 129 total cpu time spent up to now is 57.7 secs Computing kpt #: 130 total cpu time spent up to now is 58.1 secs Computing kpt #: 131 total cpu time spent up to now is 58.5 secs Computing kpt #: 132 total cpu time spent up to now is 58.8 secs Computing kpt #: 133 total cpu time spent up to now is 59.2 secs Computing kpt #: 134 total cpu time spent up to now is 59.6 secs Computing kpt #: 135 total cpu time spent up to now is 59.9 secs Computing kpt #: 136 total cpu time spent up to now is 60.3 secs Computing kpt #: 137 total cpu time spent up to now is 60.6 secs Computing kpt #: 138 total cpu time spent up to now is 61.0 secs Computing kpt #: 139 total cpu time spent up to now is 61.3 secs Computing kpt #: 140 total cpu time spent up to now is 61.6 secs Computing kpt #: 141 total cpu time spent up to now is 62.0 secs Computing kpt #: 142 total cpu time spent up to now is 62.3 secs Computing kpt #: 143 total cpu time spent up to now is 62.7 secs Computing kpt #: 144 total cpu time spent up to now is 63.0 secs Computing kpt #: 145 total cpu time spent up to now is 63.3 secs Computing kpt #: 146 total cpu time spent up to now is 63.7 secs Computing kpt #: 147 total cpu time spent up to now is 64.0 secs Computing kpt #: 148 total cpu time spent up to now is 64.3 secs Computing kpt #: 149 total cpu time spent up to now is 64.7 secs Computing kpt #: 150 total cpu time spent up to now is 65.0 secs Computing kpt #: 151 total cpu time spent up to now is 65.3 secs Computing kpt #: 152 total cpu time spent up to now is 65.6 secs Computing kpt #: 153 total cpu time spent up to now is 66.0 secs Computing kpt #: 154 total cpu time spent up to now is 66.3 secs Computing kpt #: 155 total cpu time spent up to now is 66.6 secs Computing kpt #: 156 total cpu time spent up to now is 67.0 secs Computing kpt #: 157 total cpu time spent up to now is 67.3 secs Computing kpt #: 158 total cpu time spent up to now is 67.7 secs Computing kpt #: 159 total cpu time spent up to now is 68.0 secs Computing kpt #: 160 total cpu time spent up to now is 68.4 secs Computing kpt #: 161 total cpu time spent up to now is 68.7 secs Computing kpt #: 162 total cpu time spent up to now is 69.1 secs Computing kpt #: 163 total cpu time spent up to now is 69.4 secs Computing kpt #: 164 total cpu time spent up to now is 69.8 secs Computing kpt #: 165 total cpu time spent up to now is 70.2 secs Computing kpt #: 166 total cpu time spent up to now is 70.5 secs Computing kpt #: 167 total cpu time spent up to now is 70.9 secs Computing kpt #: 168 total cpu time spent up to now is 71.3 secs Computing kpt #: 169 total cpu time spent up to now is 71.7 secs Computing kpt #: 170 total cpu time spent up to now is 72.1 secs Computing kpt #: 171 total cpu time spent up to now is 72.5 secs Computing kpt #: 172 total cpu time spent up to now is 72.8 secs Computing kpt #: 173 total cpu time spent up to now is 73.2 secs Computing kpt #: 174 total cpu time spent up to now is 73.6 secs Computing kpt #: 175 total cpu time spent up to now is 74.0 secs Computing kpt #: 176 total cpu time spent up to now is 74.4 secs Computing kpt #: 177 total cpu time spent up to now is 74.8 secs Computing kpt #: 178 total cpu time spent up to now is 75.2 secs Computing kpt #: 179 total cpu time spent up to now is 75.6 secs Computing kpt #: 180 total cpu time spent up to now is 76.0 secs Computing kpt #: 181 total cpu time spent up to now is 76.4 secs Computing kpt #: 182 total cpu time spent up to now is 76.8 secs Computing kpt #: 183 total cpu time spent up to now is 77.2 secs Computing kpt #: 184 total cpu time spent up to now is 77.6 secs Computing kpt #: 185 total cpu time spent up to now is 78.0 secs Computing kpt #: 186 total cpu time spent up to now is 78.4 secs Computing kpt #: 187 total cpu time spent up to now is 78.9 secs Computing kpt #: 188 total cpu time spent up to now is 79.3 secs Computing kpt #: 189 total cpu time spent up to now is 79.7 secs Computing kpt #: 190 total cpu time spent up to now is 80.1 secs Computing kpt #: 191 total cpu time spent up to now is 80.5 secs Computing kpt #: 192 total cpu time spent up to now is 80.9 secs Computing kpt #: 193 total cpu time spent up to now is 81.3 secs Computing kpt #: 194 total cpu time spent up to now is 81.8 secs Computing kpt #: 195 total cpu time spent up to now is 82.2 secs Computing kpt #: 196 total cpu time spent up to now is 82.6 secs Computing kpt #: 197 total cpu time spent up to now is 83.0 secs Computing kpt #: 198 total cpu time spent up to now is 83.4 secs Computing kpt #: 199 total cpu time spent up to now is 83.9 secs Computing kpt #: 200 total cpu time spent up to now is 84.4 secs Computing kpt #: 201 total cpu time spent up to now is 84.8 secs Computing kpt #: 202 total cpu time spent up to now is 85.3 secs Computing kpt #: 203 total cpu time spent up to now is 85.8 secs Computing kpt #: 204 total cpu time spent up to now is 86.3 secs Computing kpt #: 205 total cpu time spent up to now is 86.8 secs Computing kpt #: 206 total cpu time spent up to now is 87.3 secs Computing kpt #: 207 total cpu time spent up to now is 87.8 secs Computing kpt #: 208 total cpu time spent up to now is 88.3 secs Computing kpt #: 209 total cpu time spent up to now is 88.8 secs Computing kpt #: 210 total cpu time spent up to now is 89.3 secs Computing kpt #: 211 total cpu time spent up to now is 89.8 secs Computing kpt #: 212 total cpu time spent up to now is 90.2 secs Computing kpt #: 213 total cpu time spent up to now is 90.7 secs Computing kpt #: 214 total cpu time spent up to now is 91.2 secs Computing kpt #: 215 total cpu time spent up to now is 91.7 secs Computing kpt #: 216 total cpu time spent up to now is 92.2 secs Computing kpt #: 217 total cpu time spent up to now is 92.7 secs Computing kpt #: 218 total cpu time spent up to now is 93.2 secs Computing kpt #: 219 total cpu time spent up to now is 93.7 secs Computing kpt #: 220 total cpu time spent up to now is 94.1 secs Computing kpt #: 221 total cpu time spent up to now is 94.6 secs Computing kpt #: 222 total cpu time spent up to now is 95.1 secs Computing kpt #: 223 total cpu time spent up to now is 95.6 secs Computing kpt #: 224 total cpu time spent up to now is 96.1 secs Computing kpt #: 225 total cpu time spent up to now is 96.6 secs Computing kpt #: 226 total cpu time spent up to now is 97.1 secs Computing kpt #: 227 total cpu time spent up to now is 97.6 secs Computing kpt #: 228 total cpu time spent up to now is 98.0 secs Computing kpt #: 229 total cpu time spent up to now is 98.4 secs Computing kpt #: 230 total cpu time spent up to now is 98.8 secs Computing kpt #: 231 total cpu time spent up to now is 99.3 secs Computing kpt #: 232 total cpu time spent up to now is 99.7 secs Computing kpt #: 233 total cpu time spent up to now is 100.1 secs Computing kpt #: 234 total cpu time spent up to now is 100.5 secs Computing kpt #: 235 total cpu time spent up to now is 100.9 secs Computing kpt #: 236 total cpu time spent up to now is 101.3 secs Computing kpt #: 237 total cpu time spent up to now is 101.7 secs Computing kpt #: 238 total cpu time spent up to now is 102.1 secs Computing kpt #: 239 total cpu time spent up to now is 102.5 secs Computing kpt #: 240 total cpu time spent up to now is 102.8 secs Computing kpt #: 241 total cpu time spent up to now is 103.2 secs Computing kpt #: 242 total cpu time spent up to now is 103.6 secs Computing kpt #: 243 total cpu time spent up to now is 104.0 secs Computing kpt #: 244 total cpu time spent up to now is 104.3 secs Computing kpt #: 245 total cpu time spent up to now is 104.7 secs Computing kpt #: 246 total cpu time spent up to now is 105.1 secs Computing kpt #: 247 total cpu time spent up to now is 105.4 secs Computing kpt #: 248 total cpu time spent up to now is 105.8 secs Computing kpt #: 249 total cpu time spent up to now is 106.1 secs Computing kpt #: 250 total cpu time spent up to now is 106.5 secs Computing kpt #: 251 total cpu time spent up to now is 106.9 secs Computing kpt #: 252 total cpu time spent up to now is 107.2 secs Computing kpt #: 253 total cpu time spent up to now is 107.6 secs Computing kpt #: 254 total cpu time spent up to now is 107.9 secs Computing kpt #: 255 total cpu time spent up to now is 108.2 secs Computing kpt #: 256 total cpu time spent up to now is 108.6 secs Computing kpt #: 257 total cpu time spent up to now is 108.9 secs Computing kpt #: 258 total cpu time spent up to now is 109.2 secs Computing kpt #: 259 total cpu time spent up to now is 109.6 secs Computing kpt #: 260 total cpu time spent up to now is 109.9 secs Computing kpt #: 261 total cpu time spent up to now is 110.2 secs Computing kpt #: 262 total cpu time spent up to now is 110.6 secs Computing kpt #: 263 total cpu time spent up to now is 111.0 secs Computing kpt #: 264 total cpu time spent up to now is 111.4 secs Computing kpt #: 265 total cpu time spent up to now is 111.9 secs Computing kpt #: 266 total cpu time spent up to now is 112.3 secs Computing kpt #: 267 total cpu time spent up to now is 112.7 secs Computing kpt #: 268 total cpu time spent up to now is 113.1 secs Computing kpt #: 269 total cpu time spent up to now is 113.5 secs Computing kpt #: 270 total cpu time spent up to now is 113.9 secs Computing kpt #: 271 total cpu time spent up to now is 114.4 secs Computing kpt #: 272 total cpu time spent up to now is 114.8 secs Computing kpt #: 273 total cpu time spent up to now is 115.2 secs Computing kpt #: 274 total cpu time spent up to now is 115.6 secs Computing kpt #: 275 total cpu time spent up to now is 115.9 secs Computing kpt #: 276 total cpu time spent up to now is 116.4 secs Computing kpt #: 277 total cpu time spent up to now is 116.9 secs Computing kpt #: 278 total cpu time spent up to now is 117.5 secs Computing kpt #: 279 total cpu time spent up to now is 118.0 secs Computing kpt #: 280 total cpu time spent up to now is 118.4 secs Computing kpt #: 281 total cpu time spent up to now is 118.8 secs Computing kpt #: 282 total cpu time spent up to now is 119.2 secs Computing kpt #: 283 total cpu time spent up to now is 119.6 secs Computing kpt #: 284 total cpu time spent up to now is 120.0 secs Computing kpt #: 285 total cpu time spent up to now is 120.4 secs Computing kpt #: 286 total cpu time spent up to now is 120.8 secs Computing kpt #: 287 total cpu time spent up to now is 121.2 secs Computing kpt #: 288 total cpu time spent up to now is 121.6 secs Computing kpt #: 289 total cpu time spent up to now is 122.0 secs Computing kpt #: 290 total cpu time spent up to now is 122.4 secs Computing kpt #: 291 total cpu time spent up to now is 122.8 secs Computing kpt #: 292 total cpu time spent up to now is 123.2 secs Computing kpt #: 293 total cpu time spent up to now is 123.7 secs Computing kpt #: 294 total cpu time spent up to now is 124.2 secs Computing kpt #: 295 total cpu time spent up to now is 124.5 secs Computing kpt #: 296 total cpu time spent up to now is 124.9 secs Computing kpt #: 297 total cpu time spent up to now is 125.3 secs Computing kpt #: 298 total cpu time spent up to now is 125.7 secs Computing kpt #: 299 total cpu time spent up to now is 126.0 secs Computing kpt #: 300 total cpu time spent up to now is 126.4 secs Computing kpt #: 301 total cpu time spent up to now is 126.8 secs Computing kpt #: 302 total cpu time spent up to now is 127.2 secs Computing kpt #: 303 total cpu time spent up to now is 127.6 secs Computing kpt #: 304 total cpu time spent up to now is 127.9 secs Computing kpt #: 305 total cpu time spent up to now is 128.3 secs Computing kpt #: 306 total cpu time spent up to now is 128.7 secs Computing kpt #: 307 total cpu time spent up to now is 129.1 secs Computing kpt #: 308 total cpu time spent up to now is 129.5 secs Computing kpt #: 309 total cpu time spent up to now is 129.8 secs Computing kpt #: 310 total cpu time spent up to now is 130.2 secs Computing kpt #: 311 total cpu time spent up to now is 130.6 secs Computing kpt #: 312 total cpu time spent up to now is 131.0 secs Computing kpt #: 313 total cpu time spent up to now is 131.4 secs Computing kpt #: 314 total cpu time spent up to now is 131.8 secs Computing kpt #: 315 total cpu time spent up to now is 132.2 secs Computing kpt #: 316 total cpu time spent up to now is 132.6 secs Computing kpt #: 317 total cpu time spent up to now is 133.0 secs Computing kpt #: 318 total cpu time spent up to now is 133.4 secs Computing kpt #: 319 total cpu time spent up to now is 133.8 secs Computing kpt #: 320 total cpu time spent up to now is 134.3 secs Computing kpt #: 321 total cpu time spent up to now is 134.7 secs Computing kpt #: 322 total cpu time spent up to now is 135.1 secs Computing kpt #: 323 total cpu time spent up to now is 135.6 secs Computing kpt #: 324 total cpu time spent up to now is 136.1 secs Computing kpt #: 325 total cpu time spent up to now is 136.6 secs Computing kpt #: 326 total cpu time spent up to now is 137.0 secs ethr = 2.78E-08, avg # of iterations = 16.9 total cpu time spent up to now is 137.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5641 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6686 -18.6686 -18.6680 -18.6680 -18.6541 -18.6541 -9.2496 -9.2496 -2.1463 -2.1463 -1.1441 -1.1441 1.3187 1.3187 1.7773 1.7773 1.8286 1.8286 1.8332 1.8332 2.0164 2.0164 2.8274 2.8274 3.5092 3.5092 8.3124 8.3124 10.4627 10.4627 10.7090 10.7090 11.3648 11.3648 k = 0.0122 0.0070-0.0000 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6687 -18.6687 -18.6680 -18.6680 -18.6541 -18.6541 -9.2494 -9.2494 -2.1462 -2.1462 -1.1439 -1.1439 1.3183 1.3183 1.7762 1.7762 1.8273 1.8273 1.8332 1.8332 2.0191 2.0191 2.8274 2.8274 3.5093 3.5093 8.3146 8.3146 10.4605 10.4605 10.7067 10.7067 11.3677 11.3677 k = 0.0244 0.0141-0.0000 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6688 -18.6688 -18.6679 -18.6679 -18.6542 -18.6542 -9.2491 -9.2491 -2.1460 -2.1460 -1.1432 -1.1432 1.3170 1.3170 1.7726 1.7726 1.8236 1.8236 1.8332 1.8332 2.0268 2.0268 2.8275 2.8275 3.5098 3.5098 8.3211 8.3211 10.4537 10.4537 10.7001 10.7001 11.3755 11.3755 k = 0.0366 0.0211-0.0000 ( 5623 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8406 -18.8406 -18.6936 -18.6936 -18.6690 -18.6690 -18.6677 -18.6677 -18.6542 -18.6542 -9.2484 -9.2484 -2.1455 -2.1455 -1.1420 -1.1420 1.3149 1.3149 1.7666 1.7666 1.8184 1.8184 1.8332 1.8332 2.0389 2.0389 2.8276 2.8276 3.5106 3.5106 8.3320 8.3320 10.4421 10.4421 10.6902 10.6902 11.3846 11.3846 k = 0.0488 0.0282-0.0000 ( 5617 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8407 -18.8407 -18.6936 -18.6936 -18.6692 -18.6692 -18.6675 -18.6675 -18.6542 -18.6542 -9.2476 -9.2476 -2.1449 -2.1449 -1.1404 -1.1404 1.3119 1.3119 1.7582 1.7582 1.8127 1.8127 1.8330 1.8330 2.0544 2.0544 2.8277 2.8277 3.5117 3.5117 8.3470 8.3470 10.4256 10.4256 10.6783 10.6783 11.3672 11.3672 k = 0.0610 0.0352-0.0000 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8409 -18.8409 -18.6936 -18.6936 -18.6695 -18.6695 -18.6674 -18.6674 -18.6544 -18.6544 -9.2465 -9.2465 -2.1442 -2.1442 -1.1384 -1.1384 1.3080 1.3080 1.7478 1.7478 1.8070 1.8070 1.8327 1.8327 2.0727 2.0727 2.8278 2.8278 3.5131 3.5131 8.3661 8.3661 10.4038 10.4038 10.6653 10.6653 11.2654 11.2654 k = 0.0732 0.0422-0.0000 ( 5643 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8621 -18.8621 -18.8410 -18.8410 -18.6935 -18.6935 -18.6698 -18.6698 -18.6673 -18.6673 -18.6545 -18.6545 -9.2451 -9.2451 -2.1433 -2.1433 -1.1359 -1.1359 1.3030 1.3030 1.7358 1.7358 1.8015 1.8015 1.8323 1.8323 2.0931 2.0931 2.8280 2.8280 3.5149 3.5149 8.3891 8.3891 10.3767 10.3767 10.6522 10.6522 11.1406 11.1406 k = 0.0854 0.0493-0.0000 ( 5649 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8621 -18.8621 -18.8412 -18.8412 -18.6934 -18.6934 -18.6701 -18.6701 -18.6672 -18.6672 -18.6547 -18.6547 -9.2435 -9.2435 -2.1422 -2.1422 -1.1330 -1.1330 1.2970 1.2970 1.7229 1.7229 1.7961 1.7961 1.8315 1.8315 2.1154 2.1154 2.8283 2.8283 3.5170 3.5170 8.4156 8.4156 10.3443 10.3443 10.6390 10.6390 11.0116 11.0116 k = 0.0976 0.0563-0.0000 ( 5657 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8620 -18.8620 -18.8414 -18.8414 -18.6934 -18.6934 -18.6704 -18.6704 -18.6671 -18.6671 -18.6548 -18.6548 -9.2418 -9.2418 -2.1410 -2.1410 -1.1297 -1.1297 1.2899 1.2899 1.7095 1.7095 1.7908 1.7908 1.8306 1.8306 2.1392 2.1392 2.8286 2.8286 3.5196 3.5196 8.4453 8.4453 10.3061 10.3061 10.6250 10.6250 10.8833 10.8833 k = 0.1098 0.0634-0.0000 ( 5663 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8619 -18.8619 -18.8415 -18.8415 -18.6933 -18.6933 -18.6707 -18.6707 -18.6670 -18.6670 -18.6550 -18.6550 -9.2398 -9.2398 -2.1397 -2.1397 -1.1261 -1.1261 1.2816 1.2816 1.6960 1.6960 1.7855 1.7855 1.8293 1.8293 2.1644 2.1644 2.8290 2.8290 3.5226 3.5226 8.4779 8.4779 10.2614 10.2614 10.6064 10.6064 10.7625 10.7625 k = 0.1220 0.0704-0.0000 ( 5673 PWs) bands (ev): -46.7987 -46.7987 -46.7959 -46.7959 -18.8619 -18.8619 -18.8418 -18.8418 -18.6932 -18.6932 -18.6710 -18.6710 -18.6669 -18.6669 -18.6552 -18.6552 -9.2376 -9.2376 -2.1382 -2.1382 -1.1220 -1.1220 1.2720 1.2720 1.6827 1.6827 1.7802 1.7802 1.8278 1.8278 2.1908 2.1908 2.8295 2.8295 3.5260 3.5260 8.5128 8.5128 10.2082 10.2082 10.5660 10.5660 10.6704 10.6704 k = 0.1341 0.0774-0.0000 ( 5665 PWs) bands (ev): -46.7987 -46.7987 -46.7959 -46.7959 -18.8617 -18.8617 -18.8420 -18.8420 -18.6931 -18.6931 -18.6713 -18.6713 -18.6667 -18.6667 -18.6554 -18.6554 -9.2352 -9.2352 -2.1366 -2.1366 -1.1176 -1.1176 1.2612 1.2612 1.6698 1.6698 1.7748 1.7748 1.8259 1.8259 2.2184 2.2184 2.8302 2.8302 3.5299 3.5299 8.5492 8.5492 10.1431 10.1431 10.4842 10.4842 10.6311 10.6311 k = 0.1463 0.0845-0.0000 ( 5671 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8616 -18.8616 -18.8423 -18.8423 -18.6930 -18.6930 -18.6717 -18.6717 -18.6667 -18.6667 -18.6556 -18.6556 -9.2327 -9.2327 -2.1349 -2.1349 -1.1129 -1.1129 1.2492 1.2492 1.6575 1.6575 1.7694 1.7694 1.8238 1.8238 2.2470 2.2470 2.8311 2.8311 3.5344 3.5344 8.5862 8.5862 10.0629 10.0629 10.3963 10.3963 10.6148 10.6148 k = 0.1585 0.0915-0.0000 ( 5675 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8615 -18.8615 -18.8425 -18.8425 -18.6928 -18.6928 -18.6720 -18.6720 -18.6666 -18.6666 -18.6558 -18.6558 -9.2300 -9.2300 -2.1330 -2.1330 -1.1078 -1.1078 1.2360 1.2360 1.6458 1.6458 1.7638 1.7638 1.8214 1.8214 2.2764 2.2764 2.8323 2.8323 3.5393 3.5393 8.6225 8.6225 9.9675 9.9675 10.3214 10.3214 10.6041 10.6041 k = 0.1707 0.0986-0.0000 ( 5683 PWs) bands (ev): -46.7986 -46.7986 -46.7960 -46.7960 -18.8614 -18.8614 -18.8428 -18.8428 -18.6927 -18.6927 -18.6724 -18.6724 -18.6665 -18.6665 -18.6561 -18.6561 -9.2271 -9.2271 -2.1311 -2.1311 -1.1025 -1.1025 1.2217 1.2217 1.6348 1.6348 1.7582 1.7582 1.8188 1.8188 2.3067 2.3067 2.8339 2.8339 3.5449 3.5449 8.6561 8.6561 9.8617 9.8617 10.2605 10.2605 10.5953 10.5953 k = 0.1829 0.1056-0.0000 ( 5691 PWs) bands (ev): -46.7986 -46.7986 -46.7960 -46.7960 -18.8613 -18.8613 -18.8432 -18.8432 -18.6925 -18.6925 -18.6728 -18.6728 -18.6664 -18.6664 -18.6564 -18.6564 -9.2242 -9.2242 -2.1291 -2.1291 -1.0969 -1.0969 1.2064 1.2064 1.6245 1.6245 1.7526 1.7526 1.8159 1.8159 2.3375 2.3375 2.8360 2.8360 3.5510 3.5510 8.6845 8.6845 9.7530 9.7530 10.2102 10.2102 10.5875 10.5875 k = 0.1951 0.1127-0.0000 ( 5691 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8611 -18.8611 -18.8435 -18.8435 -18.6924 -18.6924 -18.6732 -18.6732 -18.6664 -18.6664 -18.6566 -18.6566 -9.2211 -9.2211 -2.1270 -2.1270 -1.0912 -1.0912 1.1901 1.1901 1.6148 1.6148 1.7469 1.7469 1.8128 1.8128 2.3687 2.3687 2.8389 2.8389 3.5576 3.5576 8.7035 8.7035 9.6493 9.6493 10.1673 10.1673 10.5803 10.5803 k = 0.2073 0.1197-0.0000 ( 5687 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8609 -18.8609 -18.8438 -18.8438 -18.6922 -18.6922 -18.6736 -18.6736 -18.6663 -18.6663 -18.6568 -18.6568 -9.2180 -9.2180 -2.1249 -2.1249 -1.0852 -1.0852 1.1731 1.1731 1.6058 1.6058 1.7413 1.7413 1.8096 1.8096 2.4000 2.4000 2.8427 2.8427 3.5650 3.5650 8.7079 8.7079 9.5580 9.5580 10.1298 10.1298 10.5735 10.5735 k = 0.2195 0.1267-0.0000 ( 5703 PWs) bands (ev): -46.7985 -46.7985 -46.7961 -46.7961 -18.8608 -18.8608 -18.8442 -18.8442 -18.6920 -18.6920 -18.6740 -18.6740 -18.6662 -18.6662 -18.6572 -18.6572 -9.2148 -9.2148 -2.1227 -2.1227 -1.0791 -1.0791 1.1554 1.1554 1.5974 1.5974 1.7356 1.7356 1.8061 1.8061 2.4310 2.4310 2.8478 2.8478 3.5729 3.5729 8.6915 8.6915 9.4865 9.4865 10.0968 10.0968 10.5670 10.5670 k = 0.2317 0.1338-0.0000 ( 5703 PWs) bands (ev): -46.7985 -46.7985 -46.7962 -46.7962 -18.8606 -18.8606 -18.8445 -18.8445 -18.6918 -18.6918 -18.6744 -18.6744 -18.6662 -18.6662 -18.6574 -18.6574 -9.2115 -9.2115 -2.1204 -2.1204 -1.0729 -1.0729 1.1373 1.1373 1.5895 1.5895 1.7300 1.7300 1.8026 1.8026 2.4613 2.4613 2.8546 2.8546 3.5815 3.5815 8.6498 8.6498 9.4396 9.4396 10.0677 10.0677 10.5609 10.5609 k = 0.2439 0.1408-0.0000 ( 5703 PWs) bands (ev): -46.7985 -46.7985 -46.7962 -46.7962 -18.8604 -18.8604 -18.8449 -18.8449 -18.6916 -18.6916 -18.6748 -18.6748 -18.6661 -18.6661 -18.6576 -18.6576 -9.2082 -9.2082 -2.1182 -2.1182 -1.0665 -1.0665 1.1189 1.1189 1.5821 1.5821 1.7245 1.7245 1.7989 1.7989 2.4903 2.4903 2.8634 2.8634 3.5907 3.5907 8.5828 8.5828 9.4171 9.4171 10.0426 10.0426 10.5552 10.5552 k = 0.2561 0.1479-0.0000 ( 5711 PWs) bands (ev): -46.7984 -46.7984 -46.7962 -46.7962 -18.8602 -18.8602 -18.8453 -18.8453 -18.6914 -18.6914 -18.6753 -18.6753 -18.6660 -18.6660 -18.6579 -18.6579 -9.2049 -9.2049 -2.1159 -2.1159 -1.0602 -1.0602 1.1003 1.1003 1.5751 1.5751 1.7190 1.7190 1.7952 1.7952 2.5175 2.5175 2.8747 2.8747 3.6006 3.6006 8.4954 8.4954 9.4142 9.4142 10.0215 10.0215 10.5498 10.5498 k = 0.2683 0.1549-0.0000 ( 5717 PWs) bands (ev): -46.7984 -46.7984 -46.7963 -46.7963 -18.8600 -18.8600 -18.8457 -18.8457 -18.6912 -18.6912 -18.6757 -18.6757 -18.6660 -18.6660 -18.6582 -18.6582 -9.2016 -9.2016 -2.1137 -2.1137 -1.0538 -1.0538 1.0817 1.0817 1.5685 1.5685 1.7137 1.7137 1.7915 1.7915 2.5423 2.5423 2.8891 2.8891 3.6111 3.6111 8.3937 8.3937 9.4237 9.4237 10.0047 10.0047 10.5450 10.5450 k = 0.2805 0.1619-0.0000 ( 5709 PWs) bands (ev): -46.7984 -46.7984 -46.7963 -46.7963 -18.8598 -18.8598 -18.8461 -18.8461 -18.6909 -18.6909 -18.6761 -18.6761 -18.6659 -18.6659 -18.6584 -18.6584 -9.1983 -9.1983 -2.1114 -2.1114 -1.0474 -1.0474 1.0633 1.0633 1.5622 1.5622 1.7084 1.7084 1.7878 1.7878 2.5641 2.5641 2.9067 2.9067 3.6223 3.6223 8.2835 8.2835 9.4396 9.4396 9.9925 9.9925 10.5407 10.5407 k = 0.2927 0.1690-0.0000 ( 5713 PWs) bands (ev): -46.7983 -46.7983 -46.7963 -46.7963 -18.8596 -18.8596 -18.8465 -18.8465 -18.6907 -18.6907 -18.6766 -18.6766 -18.6659 -18.6659 -18.6586 -18.6586 -9.1951 -9.1951 -2.1092 -2.1092 -1.0411 -1.0411 1.0451 1.0451 1.5562 1.5562 1.7034 1.7034 1.7841 1.7841 2.5827 2.5827 2.9277 2.9277 3.6342 3.6342 8.1687 8.1687 9.4571 9.4571 9.9851 9.9851 10.5370 10.5370 k = 0.3049 0.1760-0.0000 ( 5705 PWs) bands (ev): -46.7983 -46.7983 -46.7964 -46.7964 -18.8593 -18.8593 -18.8468 -18.8468 -18.6904 -18.6904 -18.6770 -18.6770 -18.6658 -18.6658 -18.6589 -18.6589 -9.1919 -9.1919 -2.1070 -2.1070 -1.0350 -1.0350 1.0273 1.0273 1.5505 1.5505 1.6984 1.6984 1.7805 1.7805 2.5980 2.5980 2.9520 2.9520 3.6468 3.6468 8.0523 8.0523 9.4731 9.4731 9.9823 9.9823 10.5340 10.5340 k = 0.3171 0.1831-0.0000 ( 5701 PWs) bands (ev): -46.7982 -46.7982 -46.7964 -46.7964 -18.8591 -18.8591 -18.8472 -18.8472 -18.6902 -18.6902 -18.6774 -18.6774 -18.6658 -18.6658 -18.6591 -18.6591 -9.1889 -9.1889 -2.1049 -2.1049 -1.0289 -1.0289 1.0100 1.0100 1.5450 1.5450 1.6937 1.6937 1.7769 1.7769 2.6102 2.6102 2.9791 2.9791 3.6600 3.6600 7.9361 7.9361 9.4859 9.4859 9.9837 9.9837 10.5317 10.5317 k = 0.3293 0.1901-0.0000 ( 5701 PWs) bands (ev): -46.7982 -46.7982 -46.7964 -46.7964 -18.8588 -18.8588 -18.8476 -18.8476 -18.6899 -18.6899 -18.6779 -18.6779 -18.6657 -18.6657 -18.6592 -18.6592 -9.1859 -9.1859 -2.1029 -2.1029 -1.0230 -1.0230 0.9934 0.9934 1.5398 1.5398 1.6892 1.6892 1.7735 1.7735 2.6197 2.6197 3.0084 3.0084 3.6739 3.6739 7.8217 7.8217 9.4946 9.4946 9.9885 9.9885 10.5299 10.5299 k = 0.3415 0.1971-0.0000 ( 5713 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8586 -18.8586 -18.8480 -18.8480 -18.6897 -18.6897 -18.6783 -18.6783 -18.6657 -18.6657 -18.6595 -18.6595 -9.1830 -9.1830 -2.1009 -2.1009 -1.0174 -1.0174 0.9775 0.9775 1.5349 1.5349 1.6849 1.6849 1.7702 1.7702 2.6267 2.6267 3.0391 3.0391 3.6885 3.6885 7.7102 7.7102 9.4994 9.4994 9.9954 9.9954 10.5287 10.5287 k = 0.3537 0.2042-0.0000 ( 5721 PWs) bands (ev): -46.7981 -46.7981 -46.7965 -46.7965 -18.8584 -18.8584 -18.8484 -18.8484 -18.6895 -18.6895 -18.6788 -18.6788 -18.6657 -18.6657 -18.6597 -18.6597 -9.1803 -9.1803 -2.0990 -2.0990 -1.0120 -1.0120 0.9624 0.9624 1.5302 1.5302 1.6809 1.6809 1.7671 1.7671 2.6319 2.6319 3.0704 3.0704 3.7037 3.7037 7.6026 7.6026 9.5006 9.5006 10.0034 10.0034 10.5279 10.5279 k = 0.3659 0.2112-0.0000 ( 5725 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8582 -18.8582 -18.8488 -18.8488 -18.6892 -18.6892 -18.6792 -18.6792 -18.6657 -18.6657 -18.6599 -18.6599 -9.1778 -9.1778 -2.0972 -2.0972 -1.0069 -1.0069 0.9483 0.9483 1.5258 1.5258 1.6771 1.6771 1.7642 1.7642 2.6356 2.6356 3.1016 3.1016 3.7194 3.7194 7.4997 7.4997 9.4992 9.4992 10.0115 10.0115 10.5274 10.5274 k = 0.3780 0.2183-0.0000 ( 5729 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8580 -18.8580 -18.8492 -18.8492 -18.6889 -18.6889 -18.6796 -18.6796 -18.6657 -18.6657 -18.6600 -18.6600 -9.1754 -9.1754 -2.0956 -2.0956 -1.0021 -1.0021 0.9351 0.9351 1.5217 1.5217 1.6735 1.6735 1.7615 1.7615 2.6381 2.6381 3.1321 3.1321 3.7356 3.7356 7.4022 7.4022 9.4957 9.4957 10.0189 10.0189 10.5270 10.5270 k = 0.3902 0.2253-0.0000 ( 5733 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8577 -18.8577 -18.8495 -18.8495 -18.6887 -18.6887 -18.6801 -18.6801 -18.6657 -18.6657 -18.6602 -18.6602 -9.1731 -9.1731 -2.0940 -2.0940 -0.9976 -0.9976 0.9230 0.9230 1.5179 1.5179 1.6703 1.6703 1.7590 1.7590 2.6397 2.6397 3.1611 3.1611 3.7520 3.7520 7.3110 7.3110 9.4910 9.4910 10.0252 10.0252 10.5266 10.5266 k = 0.4024 0.2323-0.0000 ( 5745 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8575 -18.8575 -18.8499 -18.8499 -18.6885 -18.6885 -18.6805 -18.6805 -18.6657 -18.6657 -18.6603 -18.6603 -9.1711 -9.1711 -2.0927 -2.0927 -0.9936 -0.9936 0.9120 0.9120 1.5145 1.5145 1.6674 1.6674 1.7567 1.7567 2.6407 2.6407 3.1881 3.1881 3.7684 3.7684 7.2266 7.2266 9.4856 9.4856 10.0303 10.0303 10.5263 10.5263 k = 0.4146 0.2394-0.0000 ( 5742 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8573 -18.8573 -18.8502 -18.8502 -18.6882 -18.6882 -18.6808 -18.6808 -18.6656 -18.6656 -18.6605 -18.6605 -9.1693 -9.1693 -2.0914 -2.0914 -0.9899 -0.9899 0.9021 0.9021 1.5114 1.5114 1.6647 1.6647 1.7547 1.7547 2.6412 2.6412 3.2127 3.2127 3.7845 3.7845 7.1500 7.1500 9.4800 9.4800 10.0343 10.0343 10.5259 10.5259 k = 0.4268 0.2464-0.0000 ( 5746 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8571 -18.8571 -18.8505 -18.8505 -18.6880 -18.6880 -18.6812 -18.6812 -18.6656 -18.6656 -18.6606 -18.6606 -9.1677 -9.1677 -2.0903 -2.0903 -0.9867 -0.9867 0.8935 0.8935 1.5086 1.5086 1.6624 1.6624 1.7529 1.7529 2.6414 2.6414 3.2345 3.2345 3.7999 3.7999 7.0817 7.0817 9.4746 9.4746 10.0372 10.0372 10.5254 10.5254 k = 0.4390 0.2535-0.0000 ( 5736 PWs) bands (ev): -46.7979 -46.7979 -46.7968 -46.7968 -18.8569 -18.8569 -18.8508 -18.8508 -18.6877 -18.6877 -18.6814 -18.6814 -18.6656 -18.6656 -18.6606 -18.6606 -9.1664 -9.1664 -2.0893 -2.0893 -0.9840 -0.9840 0.8862 0.8862 1.5063 1.5063 1.6605 1.6605 1.7514 1.7514 2.6414 2.6414 3.2533 3.2533 3.8142 3.8142 7.0225 7.0225 9.4696 9.4696 10.0392 10.0392 10.5246 10.5246 k = 0.4512 0.2605-0.0000 ( 5734 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8567 -18.8567 -18.8510 -18.8510 -18.6875 -18.6875 -18.6817 -18.6817 -18.6656 -18.6656 -18.6607 -18.6607 -9.1652 -9.1652 -2.0885 -2.0885 -0.9817 -0.9817 0.8801 0.8801 1.5043 1.5043 1.6589 1.6589 1.7501 1.7501 2.6413 2.6413 3.2688 3.2688 3.8267 3.8267 6.9730 6.9730 9.4652 9.4652 10.0406 10.0406 10.5225 10.5225 k = 0.4634 0.2676-0.0000 ( 5730 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8565 -18.8565 -18.8512 -18.8512 -18.6873 -18.6873 -18.6819 -18.6819 -18.6656 -18.6656 -18.6607 -18.6607 -9.1643 -9.1643 -2.0879 -2.0879 -0.9799 -0.9799 0.8754 0.8754 1.5028 1.5028 1.6576 1.6576 1.7491 1.7491 2.6411 2.6411 3.2810 3.2810 3.8371 3.8371 6.9338 6.9338 9.4617 9.4617 10.0415 10.0415 10.5144 10.5144 k = 0.4756 0.2746-0.0000 ( 5722 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8564 -18.8564 -18.8513 -18.8513 -18.6872 -18.6872 -18.6821 -18.6821 -18.6655 -18.6655 -18.6607 -18.6607 -9.1637 -9.1637 -2.0875 -2.0875 -0.9786 -0.9786 0.8720 0.8720 1.5017 1.5017 1.6567 1.6567 1.7484 1.7484 2.6410 2.6410 3.2897 3.2897 3.8449 3.8449 6.9054 6.9054 9.4591 9.4591 10.0420 10.0420 10.5056 10.5056 k = 0.4878 0.2816-0.0000 ( 5718 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6871 -18.6871 -18.6821 -18.6821 -18.6655 -18.6655 -18.6607 -18.6607 -9.1633 -9.1633 -2.0872 -2.0872 -0.9778 -0.9778 0.8699 0.8699 1.5010 1.5010 1.6562 1.6562 1.7480 1.7480 2.6409 2.6409 3.2949 3.2949 3.8497 3.8497 6.8883 6.8883 9.4575 9.4575 10.0423 10.0423 10.5000 10.5000 k = 0.5000 0.2887-0.0000 ( 5704 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8513 -18.8513 -18.6871 -18.6871 -18.6821 -18.6821 -18.6655 -18.6655 -18.6607 -18.6607 -9.1632 -9.1632 -2.0871 -2.0871 -0.9775 -0.9775 0.8692 0.8692 1.5008 1.5008 1.6560 1.6560 1.7479 1.7479 2.6408 2.6408 3.2967 3.2967 3.8514 3.8514 6.8825 6.8825 9.4570 9.4570 10.0424 10.0424 10.4982 10.4982 k = 0.5000 0.2887-0.0000 ( 5704 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8513 -18.8513 -18.6871 -18.6871 -18.6821 -18.6821 -18.6655 -18.6655 -18.6607 -18.6607 -9.1632 -9.1632 -2.0871 -2.0871 -0.9775 -0.9775 0.8692 0.8692 1.5008 1.5008 1.6560 1.6560 1.7479 1.7479 2.6408 2.6408 3.2967 3.2967 3.8514 3.8514 6.8825 6.8825 9.4570 9.4570 10.0424 10.0424 10.4982 10.4982 k = 0.4931 0.3007-0.0000 ( 5720 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6871 -18.6871 -18.6821 -18.6821 -18.6655 -18.6655 -18.6608 -18.6608 -9.1632 -9.1632 -2.0871 -2.0871 -0.9775 -0.9775 0.8698 0.8698 1.5008 1.5008 1.6537 1.6537 1.7487 1.7487 2.6420 2.6420 3.2967 3.2967 3.8508 3.8508 6.8842 6.8842 9.4541 9.4541 10.0376 10.0376 10.5007 10.5007 k = 0.4861 0.3127-0.0000 ( 5726 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8564 -18.8564 -18.8514 -18.8514 -18.6871 -18.6871 -18.6822 -18.6822 -18.6656 -18.6656 -18.6608 -18.6608 -9.1630 -9.1630 -2.0870 -2.0870 -0.9772 -0.9772 0.8714 0.8714 1.5008 1.5008 1.6473 1.6473 1.7508 1.7508 2.6453 2.6453 3.2970 3.2970 3.8491 3.8491 6.8895 6.8895 9.4451 9.4451 10.0240 10.0240 10.5070 10.5070 k = 0.4792 0.3248-0.0000 ( 5730 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6872 -18.6872 -18.6821 -18.6821 -18.6656 -18.6656 -18.6608 -18.6608 -9.1628 -9.1628 -2.0869 -2.0869 -0.9769 -0.9769 0.8742 0.8742 1.5009 1.5009 1.6372 1.6372 1.7538 1.7538 2.6508 2.6508 3.2974 3.2974 3.8462 3.8462 6.8982 6.8982 9.4293 9.4293 10.0033 10.0033 10.5076 10.5076 k = 0.4722 0.3368-0.0000 ( 5722 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6872 -18.6872 -18.6821 -18.6821 -18.6655 -18.6655 -18.6608 -18.6608 -9.1626 -9.1626 -2.0867 -2.0867 -0.9763 -0.9763 0.8780 0.8780 1.5008 1.5008 1.6243 1.6243 1.7570 1.7570 2.6583 2.6583 3.2981 3.2981 3.8422 3.8422 6.9103 6.9103 9.4054 9.4054 9.9782 9.9782 10.4998 10.4998 k = 0.4653 0.3488-0.0000 ( 5726 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8563 -18.8563 -18.8515 -18.8515 -18.6873 -18.6873 -18.6821 -18.6821 -18.6656 -18.6656 -18.6608 -18.6608 -9.1622 -9.1622 -2.0865 -2.0865 -0.9757 -0.9757 0.8829 0.8829 1.5007 1.5007 1.6091 1.6091 1.7601 1.7601 2.6677 2.6677 3.2990 3.2990 3.8371 3.8371 6.9259 6.9259 9.3719 9.3719 9.9519 9.9519 10.4884 10.4884 k = 0.4583 0.3608-0.0000 ( 5731 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8563 -18.8563 -18.8516 -18.8516 -18.6873 -18.6873 -18.6821 -18.6821 -18.6656 -18.6656 -18.6609 -18.6609 -9.1618 -9.1618 -2.0863 -2.0863 -0.9748 -0.9748 0.8888 0.8888 1.5003 1.5003 1.5921 1.5921 1.7629 1.7629 2.6787 2.6787 3.3004 3.3004 3.8309 3.8309 6.9448 6.9448 9.3278 9.3278 9.9271 9.9271 10.4745 10.4745 k = 0.4514 0.3729-0.0000 ( 5723 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8516 -18.8516 -18.6874 -18.6874 -18.6820 -18.6820 -18.6655 -18.6655 -18.6609 -18.6609 -9.1614 -9.1614 -2.0860 -2.0860 -0.9739 -0.9739 0.8959 0.8959 1.4993 1.4993 1.5740 1.5740 1.7652 1.7652 2.6912 2.6912 3.3022 3.3022 3.8237 3.8237 6.9670 6.9670 9.2726 9.2726 9.9060 9.9060 10.4585 10.4585 k = 0.4444 0.3849-0.0000 ( 5715 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8517 -18.8517 -18.6874 -18.6874 -18.6820 -18.6820 -18.6655 -18.6655 -18.6610 -18.6610 -9.1608 -9.1608 -2.0856 -2.0856 -0.9729 -0.9729 0.9039 0.9039 1.4971 1.4971 1.5557 1.5557 1.7671 1.7671 2.7047 2.7047 3.3046 3.3046 3.8154 3.8154 6.9924 6.9924 9.2067 9.2067 9.8898 9.8898 10.4408 10.4408 k = 0.4375 0.3969-0.0000 ( 5711 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8517 -18.8517 -18.6875 -18.6875 -18.6819 -18.6819 -18.6654 -18.6654 -18.6610 -18.6610 -9.1603 -9.1603 -2.0853 -2.0853 -0.9718 -0.9718 0.9130 0.9130 1.4921 1.4921 1.5389 1.5389 1.7684 1.7684 2.7192 2.7192 3.3078 3.3078 3.8062 3.8062 7.0210 7.0210 9.1313 9.1313 9.8786 9.8786 10.4215 10.4215 k = 0.4306 0.4090-0.0000 ( 5715 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8518 -18.8518 -18.6875 -18.6875 -18.6819 -18.6819 -18.6654 -18.6654 -18.6611 -18.6611 -9.1596 -9.1596 -2.0849 -2.0849 -0.9706 -0.9706 0.9230 0.9230 1.4815 1.4815 1.5268 1.5268 1.7693 1.7693 2.7342 2.7342 3.3119 3.3119 3.7960 3.7960 7.0526 7.0526 9.0480 9.0480 9.8720 9.8720 10.4011 10.4011 k = 0.4236 0.4210-0.0000 ( 5713 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8560 -18.8560 -18.8519 -18.8519 -18.6876 -18.6876 -18.6818 -18.6818 -18.6654 -18.6654 -18.6611 -18.6611 -9.1590 -9.1590 -2.0845 -2.0845 -0.9693 -0.9693 0.9340 0.9340 1.4643 1.4643 1.5203 1.5203 1.7699 1.7699 2.7494 2.7494 3.3170 3.3170 3.7849 3.7849 7.0872 7.0872 8.9587 8.9587 9.8693 9.8693 10.3799 10.3799 k = 0.4167 0.4330-0.0000 ( 5711 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8520 -18.8520 -18.6876 -18.6876 -18.6818 -18.6818 -18.6654 -18.6654 -18.6612 -18.6612 -9.1583 -9.1583 -2.0841 -2.0841 -0.9680 -0.9680 0.9460 0.9460 1.4428 1.4428 1.5175 1.5175 1.7700 1.7700 2.7645 2.7645 3.3234 3.3234 3.7730 3.7730 7.1247 7.1247 8.8650 8.8650 9.8698 9.8698 10.3580 10.3580 k = 0.4097 0.4450-0.0000 ( 5711 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8521 -18.8521 -18.6877 -18.6877 -18.6818 -18.6818 -18.6654 -18.6654 -18.6612 -18.6612 -9.1577 -9.1577 -2.0836 -2.0836 -0.9666 -0.9666 0.9588 0.9588 1.4192 1.4192 1.5163 1.5163 1.7699 1.7699 2.7793 2.7793 3.3311 3.3311 3.7603 3.7603 7.1649 7.1649 8.7685 8.7685 9.8728 9.8728 10.3360 10.3360 k = 0.4028 0.4571-0.0000 ( 5703 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8558 -18.8558 -18.8522 -18.8522 -18.6878 -18.6878 -18.6817 -18.6817 -18.6653 -18.6653 -18.6613 -18.6613 -9.1570 -9.1570 -2.0832 -2.0832 -0.9653 -0.9653 0.9725 0.9725 1.3946 1.3946 1.5158 1.5158 1.7696 1.7696 2.7933 2.7933 3.3403 3.3403 3.7469 3.7469 7.2078 7.2078 8.6704 8.6704 9.8777 9.8777 10.3139 10.3139 k = 0.3958 0.4691-0.0000 ( 5711 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8557 -18.8557 -18.8523 -18.8523 -18.6878 -18.6878 -18.6817 -18.6817 -18.6654 -18.6654 -18.6614 -18.6614 -9.1563 -9.1563 -2.0828 -2.0828 -0.9640 -0.9640 0.9870 0.9870 1.3693 1.3693 1.5157 1.5157 1.7690 1.7690 2.8064 2.8064 3.3511 3.3511 3.7327 3.7327 7.2533 7.2533 8.5719 8.5719 9.8840 9.8840 10.2922 10.2922 k = 0.3889 0.4811-0.0000 ( 5713 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8557 -18.8557 -18.8524 -18.8524 -18.6879 -18.6879 -18.6817 -18.6817 -18.6654 -18.6654 -18.6614 -18.6614 -9.1557 -9.1557 -2.0824 -2.0824 -0.9627 -0.9627 1.0024 1.0024 1.3439 1.3439 1.5158 1.5158 1.7684 1.7684 2.8182 2.8182 3.3635 3.3635 3.7180 3.7180 7.3011 7.3011 8.4739 8.4739 9.8914 9.8914 10.2712 10.2712 k = 0.3819 0.4932-0.0000 ( 5719 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8556 -18.8556 -18.8526 -18.8526 -18.6880 -18.6880 -18.6817 -18.6817 -18.6654 -18.6654 -18.6615 -18.6615 -9.1550 -9.1550 -2.0820 -2.0820 -0.9615 -0.9615 1.0184 1.0184 1.3185 1.3185 1.5159 1.5159 1.7677 1.7677 2.8286 2.8286 3.3774 3.3774 3.7029 3.7029 7.3512 7.3512 8.3775 8.3775 9.8993 9.8993 10.2512 10.2512 k = 0.3750 0.5052-0.0000 ( 5715 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8555 -18.8555 -18.8527 -18.8527 -18.6880 -18.6880 -18.6817 -18.6817 -18.6653 -18.6653 -18.6615 -18.6615 -9.1545 -9.1545 -2.0816 -2.0816 -0.9603 -0.9603 1.0351 1.0351 1.2934 1.2934 1.5160 1.5160 1.7670 1.7670 2.8376 2.8376 3.3926 3.3926 3.6874 3.6874 7.4033 7.4033 8.2835 8.2835 9.9074 9.9074 10.2325 10.2325 k = 0.3681 0.5172-0.0000 ( 5723 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8554 -18.8554 -18.8528 -18.8528 -18.6880 -18.6880 -18.6817 -18.6817 -18.6654 -18.6654 -18.6616 -18.6616 -9.1540 -9.1540 -2.0813 -2.0813 -0.9593 -0.9593 1.0524 1.0524 1.2688 1.2688 1.5162 1.5162 1.7663 1.7663 2.8449 2.8449 3.4086 3.4086 3.6719 3.6719 7.4572 7.4572 8.1928 8.1928 9.9153 9.9153 10.2157 10.2157 k = 0.3611 0.5292-0.0000 ( 5723 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8553 -18.8553 -18.8529 -18.8529 -18.6881 -18.6881 -18.6817 -18.6817 -18.6654 -18.6654 -18.6617 -18.6617 -9.1535 -9.1535 -2.0810 -2.0810 -0.9584 -0.9584 1.0701 1.0701 1.2449 1.2449 1.5163 1.5163 1.7657 1.7657 2.8508 2.8508 3.4250 3.4250 3.6567 3.6567 7.5122 7.5122 8.1064 8.1064 9.9226 9.9226 10.2010 10.2010 k = 0.3542 0.5413-0.0000 ( 5721 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8552 -18.8552 -18.8531 -18.8531 -18.6881 -18.6881 -18.6817 -18.6817 -18.6653 -18.6653 -18.6617 -18.6617 -9.1532 -9.1532 -2.0808 -2.0808 -0.9577 -0.9577 1.0881 1.0881 1.2219 1.2219 1.5164 1.5164 1.7651 1.7651 2.8551 2.8551 3.4408 3.4408 3.6425 3.6425 7.5676 7.5676 8.0259 8.0259 9.9288 9.9288 10.1891 10.1891 k = 0.3472 0.5533-0.0000 ( 5713 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8551 -18.8551 -18.8531 -18.8531 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1529 -9.1529 -2.0806 -2.0806 -0.9571 -0.9571 1.1058 1.1058 1.2006 1.2006 1.5164 1.5164 1.7647 1.7647 2.8580 2.8580 3.4546 3.4546 3.6303 3.6303 7.6211 7.6211 7.9538 7.9538 9.9335 9.9335 10.1802 10.1802 k = 0.3403 0.5653-0.0000 ( 5707 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8551 -18.8551 -18.8532 -18.8532 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1527 -9.1527 -2.0804 -2.0804 -0.9568 -0.9568 1.1216 1.1216 1.1826 1.1826 1.5164 1.5164 1.7645 1.7645 2.8597 2.8597 3.4644 3.4644 3.6217 3.6217 7.6665 7.6665 7.8969 7.8969 9.9364 9.9364 10.1748 10.1748 k = 0.3333 0.5774-0.0000 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8532 -18.8532 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1527 -9.1527 -2.0804 -2.0804 -0.9567 -0.9567 1.1294 1.1294 1.1741 1.1741 1.5164 1.5164 1.7644 1.7644 2.8602 2.8602 3.4681 3.4681 3.6185 3.6185 7.6868 7.6868 7.8728 7.8728 9.9374 9.9374 10.1730 10.1730 k = 0.3333 0.5774-0.0000 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8532 -18.8532 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1527 -9.1527 -2.0804 -2.0804 -0.9567 -0.9567 1.1294 1.1294 1.1741 1.1741 1.5164 1.5164 1.7644 1.7644 2.8602 2.8602 3.4681 3.4681 3.6185 3.6185 7.6868 7.6868 7.8728 7.8728 9.9374 9.9374 10.1730 10.1730 k = 0.3262 0.5651-0.0000 ( 5713 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8551 -18.8551 -18.8532 -18.8532 -18.6881 -18.6881 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1527 -9.1527 -2.0805 -2.0805 -0.9568 -0.9568 1.1216 1.1216 1.1827 1.1827 1.5164 1.5164 1.7645 1.7645 2.8597 2.8597 3.4641 3.4641 3.6218 3.6218 7.6672 7.6672 7.8966 7.8966 9.9364 9.9364 10.1748 10.1748 k = 0.3191 0.5528-0.0000 ( 5711 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8551 -18.8551 -18.8531 -18.8531 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1529 -9.1529 -2.0806 -2.0806 -0.9572 -0.9572 1.1065 1.1065 1.2002 1.2002 1.5165 1.5165 1.7648 1.7648 2.8583 2.8583 3.4529 3.4529 3.6308 3.6308 7.6271 7.6271 7.9497 7.9497 9.9339 9.9339 10.1800 10.1800 k = 0.3121 0.5405-0.0000 ( 5723 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8553 -18.8553 -18.8530 -18.8530 -18.6881 -18.6881 -18.6816 -18.6816 -18.6654 -18.6654 -18.6617 -18.6617 -9.1533 -9.1533 -2.0808 -2.0808 -0.9579 -0.9579 1.0903 1.0903 1.2204 1.2204 1.5166 1.5166 1.7652 1.7652 2.8562 2.8562 3.4360 3.4360 3.6432 3.6432 7.5849 7.5849 8.0141 8.0141 9.9302 9.9302 10.1881 10.1881 k = 0.3050 0.5282-0.0000 ( 5715 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8554 -18.8554 -18.8528 -18.8528 -18.6881 -18.6881 -18.6816 -18.6816 -18.6653 -18.6653 -18.6616 -18.6616 -9.1538 -9.1538 -2.0812 -2.0812 -0.9589 -0.9589 1.0748 1.0748 1.2416 1.2416 1.5167 1.5167 1.7659 1.7659 2.8534 2.8534 3.4153 3.4153 3.6572 3.6572 7.5468 7.5468 8.0839 8.0839 9.9259 9.9259 10.1986 10.1986 k = 0.2979 0.5159-0.0000 ( 5715 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8555 -18.8555 -18.8526 -18.8526 -18.6881 -18.6881 -18.6815 -18.6815 -18.6653 -18.6653 -18.6616 -18.6616 -9.1544 -9.1544 -2.0816 -2.0816 -0.9603 -0.9603 1.0604 1.0604 1.2633 1.2633 1.5171 1.5171 1.7668 1.7668 2.8501 2.8501 3.3917 3.3917 3.6711 3.6711 7.5153 7.5153 8.1570 8.1570 9.9214 9.9214 10.2109 10.2109 k = 0.2908 0.5036-0.0000 ( 5711 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8557 -18.8557 -18.8524 -18.8524 -18.6881 -18.6881 -18.6815 -18.6815 -18.6653 -18.6653 -18.6615 -18.6615 -9.1553 -9.1553 -2.0822 -2.0822 -0.9620 -0.9620 1.0474 1.0474 1.2853 1.2853 1.5175 1.5175 1.7678 1.7678 2.8464 2.8464 3.3659 3.3659 3.6841 3.6841 7.4915 7.4915 8.2324 8.2324 9.9174 9.9174 10.2246 10.2246 k = 0.2837 0.4914-0.0000 ( 5709 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8521 -18.8521 -18.6881 -18.6881 -18.6814 -18.6814 -18.6653 -18.6653 -18.6614 -18.6614 -9.1563 -9.1563 -2.0828 -2.0828 -0.9640 -0.9640 1.0359 1.0359 1.3074 1.3074 1.5182 1.5182 1.7690 1.7690 2.8423 2.8423 3.3383 3.3383 3.6955 3.6955 7.4761 7.4761 8.3098 8.3098 9.9140 9.9140 10.2393 10.2393 k = 0.2766 0.4791-0.0000 ( 5705 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8561 -18.8561 -18.8518 -18.8518 -18.6882 -18.6882 -18.6812 -18.6812 -18.6654 -18.6654 -18.6613 -18.6613 -9.1574 -9.1574 -2.0836 -2.0836 -0.9663 -0.9663 1.0259 1.0259 1.3295 1.3295 1.5190 1.5190 1.7704 1.7704 2.8379 2.8379 3.3093 3.3093 3.7050 3.7050 7.4695 7.4695 8.3888 8.3888 9.9116 9.9116 10.2547 10.2547 k = 0.2695 0.4668-0.0000 ( 5699 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8563 -18.8563 -18.8515 -18.8515 -18.6883 -18.6883 -18.6811 -18.6811 -18.6653 -18.6653 -18.6612 -18.6612 -9.1588 -9.1588 -2.0845 -2.0845 -0.9691 -0.9691 1.0176 1.0176 1.3517 1.3517 1.5201 1.5201 1.7719 1.7719 2.8333 2.8333 3.2789 3.2789 3.7122 3.7122 7.4719 7.4719 8.4692 8.4692 9.9104 9.9104 10.2704 10.2704 k = 0.2624 0.4545-0.0000 ( 5707 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8565 -18.8565 -18.8513 -18.8513 -18.6884 -18.6884 -18.6809 -18.6809 -18.6654 -18.6654 -18.6611 -18.6611 -9.1603 -9.1603 -2.0856 -2.0856 -0.9722 -0.9722 1.0110 1.0110 1.3736 1.3736 1.5214 1.5214 1.7735 1.7735 2.8285 2.8285 3.2473 3.2473 3.7172 3.7172 7.4833 7.4833 8.5509 8.5509 9.9106 9.9106 10.2861 10.2861 k = 0.2553 0.4422-0.0000 ( 5707 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8568 -18.8568 -18.8510 -18.8510 -18.6885 -18.6885 -18.6807 -18.6807 -18.6654 -18.6654 -18.6610 -18.6610 -9.1620 -9.1620 -2.0867 -2.0867 -0.9756 -0.9756 1.0060 1.0060 1.3954 1.3954 1.5231 1.5231 1.7752 1.7752 2.8234 2.8234 3.2147 3.2147 3.7198 3.7198 7.5037 7.5037 8.6337 8.6337 9.9123 9.9123 10.3015 10.3015 k = 0.2482 0.4299-0.0000 ( 5707 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8570 -18.8570 -18.8506 -18.8506 -18.6886 -18.6886 -18.6805 -18.6805 -18.6654 -18.6654 -18.6608 -18.6608 -9.1639 -9.1639 -2.0880 -2.0880 -0.9794 -0.9794 1.0027 1.0027 1.4170 1.4170 1.5250 1.5250 1.7771 1.7771 2.8181 2.8181 3.1812 3.1812 3.7201 3.7201 7.5330 7.5330 8.7174 8.7174 9.9158 9.9158 10.3161 10.3161 k = 0.2411 0.4177-0.0000 ( 5703 PWs) bands (ev): -46.7978 -46.7978 -46.7967 -46.7967 -18.8572 -18.8572 -18.8503 -18.8503 -18.6887 -18.6887 -18.6802 -18.6802 -18.6655 -18.6655 -18.6607 -18.6607 -9.1659 -9.1659 -2.0894 -2.0894 -0.9835 -0.9835 1.0012 1.0012 1.4382 1.4382 1.5272 1.5272 1.7790 1.7790 2.8125 2.8125 3.1470 3.1470 3.7182 3.7182 7.5709 7.5709 8.8020 8.8020 9.9211 9.9211 10.3289 10.3289 k = 0.2340 0.4054-0.0000 ( 5703 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8575 -18.8575 -18.8499 -18.8499 -18.6889 -18.6889 -18.6799 -18.6799 -18.6655 -18.6655 -18.6605 -18.6605 -9.1682 -9.1682 -2.0909 -2.0909 -0.9879 -0.9879 1.0013 1.0013 1.4590 1.4590 1.5298 1.5298 1.7810 1.7810 2.8064 2.8064 3.1123 3.1123 3.7145 3.7145 7.6171 7.6171 8.8872 8.8872 9.9282 9.9282 10.3378 10.3378 k = 0.2270 0.3931-0.0000 ( 5703 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8577 -18.8577 -18.8496 -18.8496 -18.6891 -18.6891 -18.6796 -18.6796 -18.6655 -18.6655 -18.6603 -18.6603 -9.1705 -9.1705 -2.0925 -2.0925 -0.9927 -0.9927 1.0030 1.0030 1.4793 1.4793 1.5327 1.5327 1.7831 1.7831 2.7996 2.7996 3.0774 3.0774 3.7090 3.7090 7.6712 7.6712 8.9728 8.9728 9.9372 9.9372 10.3373 10.3373 k = 0.2199 0.3808-0.0000 ( 5707 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8579 -18.8579 -18.8492 -18.8492 -18.6893 -18.6893 -18.6793 -18.6793 -18.6656 -18.6656 -18.6602 -18.6602 -9.1731 -9.1731 -2.0942 -2.0942 -0.9978 -0.9978 1.0064 1.0064 1.4990 1.4990 1.5361 1.5361 1.7853 1.7853 2.7919 2.7919 3.0429 3.0429 3.7020 3.7020 7.7327 7.7327 9.0585 9.0585 9.9480 9.9480 10.3150 10.3150 k = 0.2128 0.3685-0.0000 ( 5703 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8582 -18.8582 -18.8488 -18.8488 -18.6894 -18.6894 -18.6789 -18.6789 -18.6656 -18.6656 -18.6600 -18.6600 -9.1757 -9.1757 -2.0960 -2.0960 -1.0031 -1.0031 1.0114 1.0114 1.5178 1.5178 1.5402 1.5402 1.7875 1.7875 2.7828 2.7828 3.0092 3.0092 3.6938 3.6938 7.8009 7.8009 9.1441 9.1441 9.9600 9.9600 10.2640 10.2640 k = 0.2057 0.3562-0.0000 ( 5705 PWs) bands (ev): -46.7981 -46.7981 -46.7965 -46.7965 -18.8584 -18.8584 -18.8485 -18.8485 -18.6896 -18.6896 -18.6786 -18.6786 -18.6656 -18.6656 -18.6598 -18.6598 -9.1785 -9.1785 -2.0979 -2.0979 -1.0087 -1.0087 1.0179 1.0179 1.5342 1.5342 1.5465 1.5465 1.7897 1.7897 2.7717 2.7717 2.9772 2.9772 3.6847 3.6847 7.8754 7.8754 9.2291 9.2291 9.9718 9.9718 10.1995 10.1995 k = 0.1986 0.3440-0.0000 ( 5697 PWs) bands (ev): -46.7981 -46.7981 -46.7965 -46.7965 -18.8586 -18.8586 -18.8481 -18.8481 -18.6898 -18.6898 -18.6782 -18.6782 -18.6657 -18.6657 -18.6596 -18.6596 -9.1815 -9.1815 -2.0999 -2.0999 -1.0144 -1.0144 1.0258 1.0258 1.5436 1.5436 1.5595 1.5595 1.7920 1.7920 2.7577 2.7577 2.9478 2.9478 3.6748 3.6748 7.9553 7.9553 9.3129 9.3129 9.9780 9.9780 10.1395 10.1395 k = 0.1915 0.3317-0.0000 ( 5705 PWs) bands (ev): -46.7982 -46.7982 -46.7964 -46.7964 -18.8589 -18.8589 -18.8477 -18.8477 -18.6901 -18.6901 -18.6778 -18.6778 -18.6657 -18.6657 -18.6594 -18.6594 -9.1845 -9.1845 -2.1020 -2.1020 -1.0204 -1.0204 1.0351 1.0351 1.5491 1.5491 1.5760 1.5760 1.7943 1.7943 2.7399 2.7399 2.9220 2.9220 3.6644 3.6644 8.0399 8.0399 9.3946 9.3946 9.9637 9.9637 10.1045 10.1045 k = 0.1844 0.3194-0.0000 ( 5713 PWs) bands (ev): -46.7982 -46.7982 -46.7964 -46.7964 -18.8591 -18.8591 -18.8473 -18.8473 -18.6903 -18.6903 -18.6774 -18.6774 -18.6658 -18.6658 -18.6592 -18.6592 -9.1876 -9.1876 -2.1042 -2.1042 -1.0266 -1.0266 1.0456 1.0456 1.5540 1.5540 1.5926 1.5926 1.7967 1.7967 2.7178 2.7178 2.9006 2.9006 3.6536 3.6536 8.1281 8.1281 9.4728 9.4728 9.9205 9.9205 10.1066 10.1066 k = 0.1773 0.3071-0.0000 ( 5713 PWs) bands (ev): -46.7983 -46.7983 -46.7964 -46.7964 -18.8593 -18.8593 -18.8469 -18.8469 -18.6905 -18.6905 -18.6770 -18.6770 -18.6658 -18.6658 -18.6590 -18.6590 -9.1909 -9.1909 -2.1064 -2.1064 -1.0329 -1.0329 1.0574 1.0574 1.5591 1.5591 1.6089 1.6089 1.7990 1.7990 2.6913 2.6913 2.8837 2.8837 3.6428 3.6428 8.2186 8.2186 9.5449 9.5449 9.8672 9.8672 10.1311 10.1311 k = 0.1702 0.2948-0.0000 ( 5717 PWs) bands (ev): -46.7983 -46.7983 -46.7963 -46.7963 -18.8596 -18.8596 -18.8466 -18.8466 -18.6907 -18.6907 -18.6766 -18.6766 -18.6659 -18.6659 -18.6587 -18.6587 -9.1941 -9.1941 -2.1086 -2.1086 -1.0393 -1.0393 1.0702 1.0702 1.5643 1.5643 1.6245 1.6245 1.8014 1.8014 2.6612 2.6612 2.8708 2.8708 3.6320 3.6320 8.3101 8.3101 9.6048 9.6048 9.8219 9.8219 10.1676 10.1676 k = 0.1631 0.2825-0.0000 ( 5725 PWs) bands (ev): -46.7984 -46.7984 -46.7963 -46.7963 -18.8598 -18.8598 -18.8462 -18.8462 -18.6910 -18.6910 -18.6762 -18.6762 -18.6660 -18.6660 -18.6585 -18.6585 -9.1975 -9.1975 -2.1109 -2.1109 -1.0458 -1.0458 1.0839 1.0839 1.5698 1.5698 1.6395 1.6395 1.8038 1.8038 2.6284 2.6284 2.8611 2.8611 3.6213 3.6213 8.4002 8.4002 9.6371 9.6371 9.8047 9.8047 10.2127 10.2127 k = 0.1560 0.2702-0.0000 ( 5715 PWs) bands (ev): -46.7984 -46.7984 -46.7963 -46.7963 -18.8600 -18.8600 -18.8458 -18.8458 -18.6912 -18.6912 -18.6758 -18.6758 -18.6660 -18.6660 -18.6582 -18.6582 -9.2008 -9.2008 -2.1132 -2.1132 -1.0523 -1.0523 1.0984 1.0984 1.5755 1.5755 1.6538 1.6538 1.8062 1.8062 2.5938 2.5938 2.8538 2.8538 3.6109 3.6109 8.4864 8.4864 9.6318 9.6318 9.8290 9.8290 10.2652 10.2652 k = 0.1489 0.2580-0.0000 ( 5713 PWs) bands (ev): -46.7984 -46.7984 -46.7962 -46.7962 -18.8602 -18.8602 -18.8454 -18.8454 -18.6914 -18.6914 -18.6753 -18.6753 -18.6660 -18.6660 -18.6580 -18.6580 -9.2042 -9.2042 -2.1155 -2.1155 -1.0589 -1.0589 1.1135 1.1135 1.5816 1.5816 1.6675 1.6675 1.8086 1.8086 2.5581 2.5581 2.8483 2.8483 3.6009 3.6009 8.5649 8.5649 9.6128 9.6128 9.8747 9.8747 10.3235 10.3235 k = 0.1418 0.2457-0.0000 ( 5701 PWs) bands (ev): -46.7985 -46.7985 -46.7962 -46.7962 -18.8604 -18.8604 -18.8450 -18.8450 -18.6916 -18.6916 -18.6749 -18.6749 -18.6661 -18.6661 -18.6577 -18.6577 -9.2076 -9.2076 -2.1178 -2.1178 -1.0654 -1.0654 1.1291 1.1291 1.5880 1.5880 1.6805 1.6805 1.8110 1.8110 2.5220 2.5220 2.8440 2.8440 3.5914 3.5914 8.6312 8.6312 9.6017 9.6017 9.9253 9.9253 10.3848 10.3848 k = 0.1348 0.2334-0.0000 ( 5701 PWs) bands (ev): -46.7985 -46.7985 -46.7962 -46.7962 -18.8606 -18.8606 -18.8446 -18.8446 -18.6918 -18.6918 -18.6745 -18.6745 -18.6662 -18.6662 -18.6574 -18.6574 -9.2110 -9.2110 -2.1201 -2.1201 -1.0718 -1.0718 1.1450 1.1450 1.5949 1.5949 1.6927 1.6927 1.8133 1.8133 2.4859 2.4859 2.8407 2.8407 3.5823 3.5823 8.6806 8.6806 9.6084 9.6084 9.9760 9.9760 10.4438 10.4438 k = 0.1277 0.2211-0.0000 ( 5701 PWs) bands (ev): -46.7985 -46.7985 -46.7961 -46.7961 -18.8607 -18.8607 -18.8442 -18.8442 -18.6920 -18.6920 -18.6740 -18.6740 -18.6662 -18.6662 -18.6572 -18.6572 -9.2143 -9.2143 -2.1223 -2.1223 -1.0781 -1.0781 1.1610 1.1610 1.6022 1.6022 1.7044 1.7044 1.8155 1.8155 2.4500 2.4500 2.8381 2.8381 3.5738 3.5738 8.7100 8.7100 9.6373 9.6373 10.0263 10.0263 10.4926 10.4926 k = 0.1206 0.2088-0.0000 ( 5693 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8609 -18.8609 -18.8439 -18.8439 -18.6921 -18.6921 -18.6736 -18.6736 -18.6663 -18.6663 -18.6569 -18.6569 -9.2175 -9.2175 -2.1246 -2.1246 -1.0844 -1.0844 1.1770 1.1770 1.6100 1.6100 1.7153 1.7153 1.8177 1.8177 2.4147 2.4147 2.8360 2.8360 3.5658 3.5658 8.7192 8.7192 9.6885 9.6885 10.0769 10.0769 10.5273 10.5273 k = 0.1135 0.1965-0.0000 ( 5681 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8610 -18.8610 -18.8435 -18.8435 -18.6923 -18.6923 -18.6732 -18.6732 -18.6663 -18.6663 -18.6566 -18.6566 -9.2207 -9.2207 -2.1267 -2.1267 -1.0904 -1.0904 1.1926 1.1926 1.6184 1.6184 1.7257 1.7257 1.8198 1.8198 2.3801 2.3801 2.8344 2.8344 3.5584 3.5584 8.7113 8.7113 9.7582 9.7582 10.1292 10.1292 10.5509 10.5509 k = 0.1064 0.1843-0.0000 ( 5673 PWs) bands (ev): -46.7986 -46.7986 -46.7960 -46.7960 -18.8612 -18.8612 -18.8432 -18.8432 -18.6925 -18.6925 -18.6728 -18.6728 -18.6664 -18.6664 -18.6564 -18.6564 -9.2238 -9.2238 -2.1288 -2.1288 -1.0963 -1.0963 1.2079 1.2079 1.6274 1.6274 1.7354 1.7354 1.8218 1.8218 2.3463 2.3463 2.8330 2.8330 3.5517 3.5517 8.6905 8.6905 9.8401 9.8401 10.1852 10.1852 10.5685 10.5685 k = 0.0993 0.1720-0.0000 ( 5677 PWs) bands (ev): -46.7986 -46.7986 -46.7960 -46.7960 -18.8613 -18.8613 -18.8429 -18.8429 -18.6926 -18.6926 -18.6724 -18.6724 -18.6665 -18.6665 -18.6561 -18.6561 -9.2268 -9.2268 -2.1309 -2.1309 -1.1019 -1.1019 1.2224 1.2224 1.6372 1.6372 1.7445 1.7445 1.8237 1.8237 2.3135 2.3135 2.8320 2.8320 3.5455 3.5455 8.6613 8.6613 9.9272 9.9272 10.2477 10.2477 10.5831 10.5831 k = 0.0922 0.1597-0.0000 ( 5669 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8615 -18.8615 -18.8426 -18.8426 -18.6928 -18.6928 -18.6721 -18.6721 -18.6666 -18.6666 -18.6559 -18.6559 -9.2297 -9.2297 -2.1328 -2.1328 -1.1073 -1.1073 1.2362 1.2362 1.6476 1.6476 1.7531 1.7531 1.8254 1.8254 2.2818 2.2818 2.8311 2.8311 3.5398 3.5398 8.6269 8.6269 10.0123 10.0123 10.3199 10.3199 10.5968 10.5968 k = 0.0851 0.1474-0.0000 ( 5665 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8616 -18.8616 -18.8423 -18.8423 -18.6929 -18.6929 -18.6717 -18.6717 -18.6666 -18.6666 -18.6556 -18.6556 -9.2324 -9.2324 -2.1347 -2.1347 -1.1124 -1.1124 1.2491 1.2491 1.6588 1.6588 1.7611 1.7611 1.8269 1.8269 2.2512 2.2512 2.8304 2.8304 3.5348 3.5348 8.5901 8.5901 10.0896 10.0896 10.4037 10.4037 10.6116 10.6116 k = 0.0780 0.1351-0.0000 ( 5665 PWs) bands (ev): -46.7987 -46.7987 -46.7959 -46.7959 -18.8617 -18.8617 -18.8420 -18.8420 -18.6931 -18.6931 -18.6714 -18.6714 -18.6667 -18.6667 -18.6554 -18.6554 -9.2350 -9.2350 -2.1364 -2.1364 -1.1172 -1.1172 1.2609 1.2609 1.6706 1.6706 1.7686 1.7686 1.8283 1.8283 2.2217 2.2217 2.8298 2.8298 3.5303 3.5303 8.5525 8.5525 10.1565 10.1565 10.4944 10.4944 10.6329 10.6329 k = 0.0709 0.1228-0.0000 ( 5665 PWs) bands (ev): -46.7987 -46.7987 -46.7959 -46.7959 -18.8618 -18.8618 -18.8418 -18.8418 -18.6932 -18.6932 -18.6710 -18.6710 -18.6668 -18.6668 -18.6552 -18.6552 -9.2374 -9.2374 -2.1381 -2.1381 -1.1217 -1.1217 1.2716 1.2716 1.6831 1.6831 1.7757 1.7757 1.8296 1.8296 2.1934 2.1934 2.8293 2.8293 3.5263 3.5263 8.5156 8.5156 10.2136 10.2136 10.5695 10.5695 10.6815 10.6815 k = 0.0638 0.1106-0.0000 ( 5661 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8619 -18.8619 -18.8416 -18.8416 -18.6933 -18.6933 -18.6707 -18.6707 -18.6669 -18.6669 -18.6550 -18.6550 -9.2396 -9.2396 -2.1396 -2.1396 -1.1258 -1.1258 1.2812 1.2812 1.6961 1.6961 1.7823 1.7823 1.8306 1.8306 2.1665 2.1665 2.8289 2.8289 3.5228 3.5228 8.4803 8.4803 10.2628 10.2628 10.6052 10.6052 10.7774 10.7774 k = 0.0567 0.0983-0.0000 ( 5665 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8620 -18.8620 -18.8414 -18.8414 -18.6934 -18.6934 -18.6704 -18.6704 -18.6671 -18.6671 -18.6549 -18.6549 -9.2417 -9.2417 -2.1409 -2.1409 -1.1295 -1.1295 1.2895 1.2895 1.7093 1.7093 1.7886 1.7886 1.8314 1.8314 2.1409 2.1409 2.8285 2.8285 3.5197 3.5197 8.4472 8.4472 10.3058 10.3058 10.6236 10.6236 10.8958 10.8958 k = 0.0496 0.0860-0.0000 ( 5659 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8621 -18.8621 -18.8412 -18.8412 -18.6935 -18.6935 -18.6701 -18.6701 -18.6672 -18.6672 -18.6547 -18.6547 -9.2435 -9.2435 -2.1422 -2.1422 -1.1329 -1.1329 1.2967 1.2967 1.7226 1.7226 1.7947 1.7947 1.8321 1.8321 2.1167 2.1167 2.8282 2.8282 3.5171 3.5171 8.4170 8.4170 10.3433 10.3433 10.6380 10.6380 11.0208 11.0208 k = 0.0426 0.0737-0.0000 ( 5637 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8621 -18.8621 -18.8410 -18.8410 -18.6935 -18.6935 -18.6698 -18.6698 -18.6672 -18.6672 -18.6545 -18.6545 -9.2450 -9.2450 -2.1432 -2.1432 -1.1358 -1.1358 1.3028 1.3028 1.7355 1.7355 1.8006 1.8006 1.8326 1.8326 2.0941 2.0941 2.8280 2.8280 3.5149 3.5149 8.3902 8.3902 10.3758 10.3758 10.6514 10.6514 11.1471 11.1471 k = 0.0355 0.0614-0.0000 ( 5629 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8621 -18.8621 -18.8408 -18.8408 -18.6935 -18.6935 -18.6695 -18.6695 -18.6674 -18.6674 -18.6544 -18.6544 -9.2464 -9.2464 -2.1442 -2.1442 -1.1383 -1.1383 1.3078 1.3078 1.7475 1.7475 1.8065 1.8065 1.8329 1.8329 2.0734 2.0734 2.8278 2.8278 3.5131 3.5131 8.3669 8.3669 10.4030 10.4030 10.6648 10.6648 11.2706 11.2706 k = 0.0284 0.0491-0.0000 ( 5619 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8407 -18.8407 -18.6935 -18.6935 -18.6692 -18.6692 -18.6675 -18.6675 -18.6542 -18.6542 -9.2475 -9.2475 -2.1449 -2.1449 -1.1404 -1.1404 1.3118 1.3118 1.7580 1.7580 1.8124 1.8124 1.8331 1.8331 2.0549 2.0549 2.8277 2.8277 3.5117 3.5117 8.3475 8.3475 10.4250 10.4250 10.6779 10.6779 11.3729 11.3729 k = 0.0213 0.0369-0.0000 ( 5621 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8406 -18.8406 -18.6936 -18.6936 -18.6690 -18.6690 -18.6677 -18.6677 -18.6542 -18.6542 -9.2484 -9.2484 -2.1455 -2.1455 -1.1420 -1.1420 1.3149 1.3149 1.7664 1.7664 1.8183 1.8183 1.8332 1.8332 2.0392 2.0392 2.8276 2.8276 3.5106 3.5106 8.3323 8.3323 10.4418 10.4418 10.6900 10.6900 11.3855 11.3855 k = 0.0142 0.0246-0.0000 ( 5633 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6688 -18.6688 -18.6678 -18.6678 -18.6542 -18.6542 -9.2491 -9.2491 -2.1460 -2.1460 -1.1432 -1.1432 1.3170 1.3170 1.7725 1.7725 1.8235 1.8235 1.8332 1.8332 2.0270 2.0270 2.8275 2.8275 3.5098 3.5098 8.3213 8.3213 10.4535 10.4535 10.7000 10.7000 11.3757 11.3757 k = 0.0071 0.0123-0.0000 ( 5633 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6687 -18.6687 -18.6680 -18.6680 -18.6541 -18.6541 -9.2494 -9.2494 -2.1462 -2.1462 -1.1439 -1.1439 1.3182 1.3182 1.7761 1.7761 1.8272 1.8272 1.8332 1.8332 2.0191 2.0191 2.8274 2.8274 3.5093 3.5093 8.3146 8.3146 10.4604 10.4604 10.7067 10.7067 11.3677 11.3677 k = 0.0000 0.0000 0.0000 ( 5641 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6686 -18.6686 -18.6680 -18.6680 -18.6541 -18.6541 -9.2496 -9.2496 -2.1463 -2.1463 -1.1441 -1.1441 1.3187 1.3187 1.7773 1.7773 1.8286 1.8286 1.8332 1.8332 2.0164 2.0164 2.8274 2.8274 3.5092 3.5092 8.3124 8.3124 10.4627 10.4627 10.7090 10.7090 11.3648 11.3648 k = 0.0000 0.0000 0.0000 ( 5641 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6686 -18.6686 -18.6680 -18.6680 -18.6541 -18.6541 -9.2496 -9.2496 -2.1463 -2.1463 -1.1441 -1.1441 1.3187 1.3187 1.7773 1.7773 1.8286 1.8286 1.8332 1.8332 2.0164 2.0164 2.8274 2.8274 3.5092 3.5092 8.3124 8.3124 10.4627 10.4627 10.7090 10.7090 11.3648 11.3648 k = 0.0000 0.0000 0.0139 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8623 -18.8623 -18.8406 -18.8406 -18.6937 -18.6937 -18.6686 -18.6686 -18.6681 -18.6681 -18.6541 -18.6541 -9.2490 -9.2490 -2.1631 -2.1631 -1.1259 -1.1259 1.3131 1.3131 1.7608 1.7608 1.7683 1.7683 1.9004 1.9004 2.0335 2.0335 2.8304 2.8304 3.5092 3.5092 8.3102 8.3102 10.4473 10.4473 10.6979 10.6979 11.3670 11.3670 k = 0.0000 0.0000 0.0279 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8406 -18.8406 -18.6936 -18.6936 -18.6686 -18.6686 -18.6681 -18.6681 -18.6542 -18.6542 -9.2473 -9.2473 -2.2102 -2.2102 -1.0747 -1.0747 1.2965 1.2965 1.6907 1.6907 1.7479 1.7479 1.9685 1.9685 2.0780 2.0780 2.8395 2.8395 3.5093 3.5093 8.3036 8.3036 10.4028 10.4028 10.6650 10.6650 11.3731 11.3731 k = 0.0000 0.0000 0.0418 ( 5635 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8407 -18.8407 -18.6936 -18.6936 -18.6685 -18.6685 -18.6682 -18.6682 -18.6542 -18.6542 -9.2445 -9.2445 -2.2800 -2.2800 -0.9980 -0.9980 1.2700 1.2700 1.6211 1.6211 1.7257 1.7257 2.0342 2.0342 2.1392 2.1392 2.8552 2.8552 3.5095 3.5095 8.2929 8.2929 10.3334 10.3334 10.6120 10.6120 11.3814 11.3814 k = 0.0000 0.0000 0.0558 ( 5647 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8622 -18.8622 -18.8408 -18.8408 -18.6936 -18.6936 -18.6685 -18.6685 -18.6683 -18.6683 -18.6543 -18.6543 -9.2406 -9.2406 -2.3650 -2.3650 -0.9034 -0.9034 1.2349 1.2349 1.5525 1.5525 1.7067 1.7067 2.0965 2.0965 2.2107 2.2107 2.8780 2.8780 3.5098 3.5098 8.2782 8.2782 10.2442 10.2442 10.5412 10.5412 11.3892 11.3892 k = 0.0000 0.0000 0.0697 ( 5641 PWs) bands (ev): -46.7988 -46.7988 -46.7958 -46.7958 -18.8620 -18.8620 -18.8409 -18.8409 -18.6934 -18.6934 -18.6684 -18.6684 -18.6684 -18.6684 -18.6543 -18.6543 -9.2357 -9.2357 -2.4594 -2.4594 -0.7969 -0.7969 1.1934 1.1934 1.4851 1.4851 1.6922 1.6922 2.1544 2.1544 2.2892 2.2892 2.9087 2.9087 3.5101 3.5101 8.2600 8.2600 10.1399 10.1399 10.4552 10.4552 11.3932 11.3932 k = 0.0000 0.0000 0.0837 ( 5665 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8620 -18.8620 -18.8411 -18.8411 -18.6934 -18.6934 -18.6687 -18.6687 -18.6684 -18.6684 -18.6544 -18.6544 -9.2297 -9.2297 -2.5592 -2.5592 -0.6825 -0.6825 1.1473 1.1473 1.4192 1.4192 1.6818 1.6818 2.2068 2.2068 2.3728 2.3728 2.9479 2.9479 3.5105 3.5105 8.2387 8.2387 10.0244 10.0244 10.3565 10.3565 11.3901 11.3901 k = 0.0000 0.0000 0.0976 ( 5665 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8618 -18.8618 -18.8412 -18.8412 -18.6932 -18.6932 -18.6689 -18.6689 -18.6683 -18.6683 -18.6545 -18.6545 -9.2228 -9.2228 -2.6617 -2.6617 -0.5628 -0.5628 1.0984 1.0984 1.3551 1.3551 1.6750 1.6750 2.2531 2.2531 2.4604 2.4604 2.9960 2.9960 3.5110 3.5110 8.2148 8.2148 9.9007 9.9007 10.2474 10.2474 11.3774 11.3774 k = 0.0000 0.0000 0.1116 ( 5677 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8617 -18.8617 -18.8415 -18.8415 -18.6930 -18.6930 -18.6692 -18.6692 -18.6682 -18.6682 -18.6547 -18.6547 -9.2149 -9.2149 -2.7652 -2.7652 -0.4399 -0.4399 1.0481 1.0481 1.2928 1.2928 1.6708 1.6708 2.2930 2.2930 2.5514 2.5514 3.0531 3.0531 3.5116 3.5116 8.1887 8.1887 9.7710 9.7710 10.1299 10.1299 11.3547 11.3547 k = 0.0000 0.0000 0.1255 ( 5683 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8615 -18.8615 -18.8417 -18.8417 -18.6928 -18.6928 -18.6695 -18.6695 -18.6680 -18.6680 -18.6548 -18.6548 -9.2062 -9.2062 -2.8684 -2.8684 -0.3151 -0.3151 0.9975 0.9975 1.2327 1.2327 1.6688 1.6688 2.3267 2.3267 2.6450 2.6450 3.1187 3.1187 3.5123 3.5123 8.1610 8.1610 9.6369 9.6369 10.0059 10.0059 11.3224 11.3224 k = 0.0000 0.0000 0.1395 ( 5683 PWs) bands (ev): -46.7988 -46.7988 -46.7959 -46.7959 -18.8613 -18.8613 -18.8419 -18.8419 -18.6926 -18.6926 -18.6698 -18.6698 -18.6679 -18.6679 -18.6549 -18.6549 -9.1967 -9.1967 -2.9705 -2.9705 -0.1895 -0.1895 0.9474 0.9474 1.1747 1.1747 1.6684 1.6684 2.3547 2.3547 2.7410 2.7410 3.1921 3.1921 3.5130 3.5130 8.1323 8.1323 9.4999 9.4999 9.8766 9.8766 11.2818 11.2818 k = 0.0000 0.0000 0.1534 ( 5701 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8611 -18.8611 -18.8422 -18.8422 -18.6923 -18.6923 -18.6701 -18.6701 -18.6678 -18.6678 -18.6552 -18.6552 -9.1864 -9.1864 -3.0708 -3.0708 -0.0639 -0.0639 0.8984 0.8984 1.1189 1.1189 1.6692 1.6692 2.3777 2.3777 2.8388 2.8388 3.2722 3.2722 3.5139 3.5139 8.1029 8.1029 9.3608 9.3608 9.7433 9.7433 11.2340 11.2340 k = 0.0000 0.0000 0.1674 ( 5702 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8608 -18.8608 -18.8425 -18.8425 -18.6920 -18.6920 -18.6705 -18.6705 -18.6676 -18.6676 -18.6554 -18.6554 -9.1756 -9.1756 -3.1687 -3.1687 0.0606 0.0606 0.8510 0.8510 1.0656 1.0656 1.6710 1.6710 2.3967 2.3967 2.9381 2.9381 3.3582 3.3582 3.5150 3.5150 8.0733 8.0733 9.2206 9.2206 9.6070 9.6070 11.1801 11.1801 k = 0.0000 0.0000 0.1813 ( 5702 PWs) bands (ev): -46.7987 -46.7987 -46.7960 -46.7960 -18.8606 -18.8606 -18.8428 -18.8428 -18.6917 -18.6917 -18.6708 -18.6708 -18.6675 -18.6675 -18.6555 -18.6555 -9.1642 -9.1642 -3.2638 -3.2638 0.1833 0.1833 0.8059 0.8059 1.0147 1.0147 1.6735 1.6735 2.4122 2.4122 3.0385 3.0385 3.4489 3.4489 3.5163 3.5163 8.0441 8.0441 9.0801 9.0801 9.4687 9.4687 11.1208 11.1208 k = 0.0000 0.0000 0.1953 ( 5702 PWs) bands (ev): -46.7987 -46.7987 -46.7961 -46.7961 -18.8603 -18.8603 -18.8431 -18.8431 -18.6914 -18.6914 -18.6712 -18.6712 -18.6673 -18.6673 -18.6557 -18.6557 -9.1524 -9.1524 -3.3558 -3.3558 0.3031 0.3031 0.7637 0.7637 0.9662 0.9662 1.6765 1.6765 2.4250 2.4250 3.1395 3.1395 3.5180 3.5180 3.5434 3.5434 8.0155 8.0155 8.9398 8.9398 9.3292 9.3292 11.0571 11.0571 k = 0.0000 0.0000 0.2092 ( 5726 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8601 -18.8601 -18.8434 -18.8434 -18.6911 -18.6911 -18.6716 -18.6716 -18.6672 -18.6672 -18.6560 -18.6560 -9.1403 -9.1403 -3.4442 -3.4442 0.4176 0.4176 0.7262 0.7262 0.9204 0.9204 1.6800 1.6800 2.4357 2.4357 3.2403 3.2403 3.5205 3.5205 3.6409 3.6409 7.9879 7.9879 8.8005 8.8005 9.1892 9.1892 10.9895 10.9895 k = 0.0000 0.0000 0.2232 ( 5720 PWs) bands (ev): -46.7986 -46.7986 -46.7961 -46.7961 -18.8598 -18.8598 -18.8437 -18.8437 -18.6908 -18.6908 -18.6720 -18.6720 -18.6670 -18.6670 -18.6561 -18.6561 -9.1280 -9.1280 -3.5289 -3.5289 0.5198 0.5198 0.7002 0.7002 0.8771 0.8771 1.6837 1.6837 2.4445 2.4445 3.3392 3.3392 3.5253 3.5253 3.7406 3.7406 7.9614 7.9614 8.6629 8.6629 9.0494 9.0494 10.9189 10.9189 k = 0.0000 0.0000 0.2371 ( 5732 PWs) bands (ev): -46.7986 -46.7986 -46.7962 -46.7962 -18.8595 -18.8595 -18.8440 -18.8440 -18.6905 -18.6905 -18.6724 -18.6724 -18.6668 -18.6668 -18.6563 -18.6563 -9.1156 -9.1156 -3.6095 -3.6095 0.5786 0.5786 0.7163 0.7163 0.8365 0.8365 1.6875 1.6875 2.4519 2.4519 3.4299 3.4299 3.5381 3.5381 3.8418 3.8418 7.9363 7.9363 8.5278 8.5278 8.9105 8.9105 10.8460 10.8460 k = 0.0000 0.0000 0.2511 ( 5732 PWs) bands (ev): -46.7985 -46.7985 -46.7962 -46.7962 -18.8592 -18.8592 -18.8444 -18.8444 -18.6901 -18.6901 -18.6728 -18.6728 -18.6666 -18.6666 -18.6566 -18.6566 -9.1032 -9.1032 -3.6857 -3.6857 0.5733 0.5733 0.7946 0.7946 0.7985 0.7985 1.6915 1.6915 2.4582 2.4582 3.4862 3.4862 3.5846 3.5846 3.9438 3.9438 7.9123 7.9123 8.3960 8.3960 8.7732 8.7732 10.7716 10.7716 k = 0.0000 0.0000 0.2650 ( 5732 PWs) bands (ev): -46.7985 -46.7985 -46.7963 -46.7963 -18.8588 -18.8588 -18.8447 -18.8447 -18.6897 -18.6897 -18.6733 -18.6733 -18.6664 -18.6664 -18.6568 -18.6568 -9.0911 -9.0911 -3.7574 -3.7574 0.5488 0.5488 0.7632 0.7632 0.8898 0.8898 1.6953 1.6953 2.4635 2.4635 3.5025 3.5025 3.6698 3.6698 4.0459 4.0459 7.8888 7.8888 8.2691 8.2691 8.6383 8.6383 10.6967 10.6967 k = 0.0000 0.0000 0.2790 ( 5744 PWs) bands (ev): -46.7985 -46.7985 -46.7963 -46.7963 -18.8586 -18.8586 -18.8450 -18.8450 -18.6894 -18.6894 -18.6737 -18.6737 -18.6662 -18.6662 -18.6570 -18.6570 -9.0792 -9.0792 -3.8243 -3.8243 0.5217 0.5217 0.7307 0.7307 0.9848 0.9848 1.6990 1.6990 2.4680 2.4680 3.5080 3.5080 3.7642 3.7642 4.1471 4.1471 7.8644 7.8644 8.1493 8.1493 8.5066 8.5066 10.6221 10.6221 k = 0.0000 0.0000 0.2929 ( 5744 PWs) bands (ev): -46.7984 -46.7984 -46.7963 -46.7963 -18.8582 -18.8582 -18.8454 -18.8454 -18.6890 -18.6890 -18.6741 -18.6741 -18.6660 -18.6660 -18.6572 -18.6572 -9.0679 -9.0679 -3.8861 -3.8861 0.4954 0.4954 0.7010 0.7010 1.0756 1.0756 1.7025 1.7025 2.4718 2.4718 3.5107 3.5107 3.8587 3.8587 4.2468 4.2468 7.8348 7.8348 8.0419 8.0419 8.3790 8.3790 10.5488 10.5488 k = 0.0000 0.0000 0.3069 ( 5750 PWs) bands (ev): -46.7984 -46.7984 -46.7964 -46.7964 -18.8579 -18.8579 -18.8458 -18.8458 -18.6886 -18.6886 -18.6746 -18.6746 -18.6658 -18.6658 -18.6574 -18.6574 -9.0571 -9.0571 -3.9428 -3.9428 0.4709 0.4709 0.6740 0.6740 1.1607 1.1607 1.7057 1.7057 2.4751 2.4751 3.5124 3.5124 3.9509 3.9509 4.3440 4.3440 7.7897 7.7897 7.9579 7.9579 8.2564 8.2564 10.4778 10.4778 k = 0.0000 0.0000 0.3208 ( 5726 PWs) bands (ev): -46.7984 -46.7984 -46.7964 -46.7964 -18.8575 -18.8575 -18.8460 -18.8460 -18.6881 -18.6881 -18.6750 -18.6750 -18.6655 -18.6655 -18.6576 -18.6576 -9.0470 -9.0470 -3.9940 -3.9940 0.4486 0.4486 0.6498 0.6498 1.2393 1.2393 1.7084 1.7084 2.4778 2.4778 3.5137 3.5137 4.0392 4.0392 4.4374 4.4374 7.7200 7.7200 7.9074 7.9074 8.1401 8.1401 10.4103 10.4103 k = 0.0000 0.0000 0.3348 ( 5726 PWs) bands (ev): -46.7983 -46.7983 -46.7964 -46.7964 -18.8572 -18.8572 -18.8464 -18.8464 -18.6877 -18.6877 -18.6754 -18.6754 -18.6653 -18.6653 -18.6578 -18.6578 -9.0378 -9.0378 -4.0397 -4.0397 0.4288 0.4288 0.6284 0.6284 1.3106 1.3106 1.7107 1.7107 2.4801 2.4801 3.5146 3.5146 4.1223 4.1223 4.5259 4.5259 7.6359 7.6359 7.8813 7.8813 8.0314 8.0314 10.3473 10.3473 k = 0.0000 0.0000 0.3487 ( 5708 PWs) bands (ev): -46.7983 -46.7983 -46.7964 -46.7964 -18.8568 -18.8568 -18.8466 -18.8466 -18.6873 -18.6873 -18.6757 -18.6757 -18.6651 -18.6651 -18.6578 -18.6578 -9.0295 -9.0295 -4.0796 -4.0796 0.4114 0.4114 0.6098 0.6098 1.3741 1.3741 1.7123 1.7123 2.4820 2.4820 3.5153 3.5153 4.1989 4.1989 4.6079 4.6079 7.5512 7.5512 7.8667 7.8667 7.9317 7.9317 10.2899 10.2899 k = 0.0000 0.0000 0.3627 ( 5696 PWs) bands (ev): -46.7983 -46.7983 -46.7964 -46.7964 -18.8565 -18.8565 -18.8469 -18.8469 -18.6869 -18.6869 -18.6761 -18.6761 -18.6649 -18.6649 -18.6580 -18.6580 -9.0223 -9.0223 -4.1137 -4.1137 0.3967 0.3967 0.5941 0.5941 1.4293 1.4293 1.7132 1.7132 2.4836 2.4836 3.5159 3.5159 4.2675 4.2675 4.6819 4.6819 7.4731 7.4731 7.8427 7.8427 7.8577 7.8577 10.2391 10.2391 k = 0.0000 0.0000 0.3766 ( 5696 PWs) bands (ev): -46.7983 -46.7983 -46.7965 -46.7965 -18.8563 -18.8563 -18.8471 -18.8471 -18.6866 -18.6866 -18.6764 -18.6764 -18.6648 -18.6648 -18.6581 -18.6581 -9.0163 -9.0163 -4.1417 -4.1417 0.3846 0.3846 0.5813 0.5813 1.4757 1.4757 1.7134 1.7134 2.4849 2.4849 3.5164 3.5164 4.3265 4.3265 4.7461 4.7461 7.4051 7.4051 7.7663 7.7663 7.8521 7.8521 10.1960 10.1960 k = 0.0000 0.0000 0.3906 ( 5666 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8560 -18.8560 -18.8472 -18.8472 -18.6863 -18.6863 -18.6765 -18.6765 -18.6646 -18.6646 -18.6581 -18.6581 -9.0115 -9.0115 -4.1636 -4.1636 0.3751 0.3751 0.5712 0.5712 1.5128 1.5128 1.7130 1.7130 2.4858 2.4858 3.5167 3.5167 4.3745 4.3745 4.7985 4.7985 7.3497 7.3497 7.7042 7.7042 7.8485 7.8485 10.1614 10.1614 k = 0.0000 0.0000 0.4045 ( 5654 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8473 -18.8473 -18.6861 -18.6861 -18.6767 -18.6767 -18.6645 -18.6645 -18.6582 -18.6582 -9.0080 -9.0080 -4.1794 -4.1794 0.3684 0.3684 0.5641 0.5641 1.5402 1.5402 1.7121 1.7121 2.4865 2.4865 3.5169 3.5169 4.4100 4.4100 4.8376 4.8376 7.3087 7.3087 7.6583 7.6583 7.8464 7.8464 10.1361 10.1361 k = 0.0000 0.0000 0.4185 ( 5666 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8474 -18.8474 -18.6860 -18.6860 -18.6768 -18.6768 -18.6645 -18.6645 -18.6583 -18.6583 -9.0059 -9.0059 -4.1888 -4.1888 0.3643 0.3643 0.5598 0.5598 1.5570 1.5570 1.7112 1.7112 2.4869 2.4869 3.5171 3.5171 4.4318 4.4318 4.8616 4.8616 7.2835 7.2835 7.6301 7.6301 7.8453 7.8453 10.1207 10.1207 k = 0.0000 0.0000 0.4324 ( 5666 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8557 -18.8557 -18.8475 -18.8475 -18.6860 -18.6860 -18.6769 -18.6769 -18.6644 -18.6644 -18.6583 -18.6583 -9.0052 -9.0052 -4.1920 -4.1920 0.3629 0.3629 0.5584 0.5584 1.5627 1.5627 1.7108 1.7108 2.4870 2.4870 3.5171 3.5171 4.4392 4.4392 4.8698 4.8698 7.2750 7.2750 7.6206 7.6206 7.8450 7.8450 10.1156 10.1156 k = 0.0000 0.0000 0.4324 ( 5666 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8557 -18.8557 -18.8475 -18.8475 -18.6860 -18.6860 -18.6769 -18.6769 -18.6644 -18.6644 -18.6583 -18.6583 -9.0052 -9.0052 -4.1920 -4.1920 0.3629 0.3629 0.5584 0.5584 1.5627 1.5627 1.7108 1.7108 2.4870 2.4870 3.5171 3.5171 4.4392 4.4392 4.8698 4.8698 7.2750 7.2750 7.6206 7.6206 7.8450 7.8450 10.1156 10.1156 k = 0.0122 0.0070 0.4324 ( 5674 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8475 -18.8475 -18.6860 -18.6860 -18.6769 -18.6769 -18.6645 -18.6645 -18.6583 -18.6583 -9.0051 -9.0051 -4.1918 -4.1918 0.3625 0.3625 0.5578 0.5578 1.5631 1.5631 1.7121 1.7121 2.4871 2.4871 3.5173 3.5173 4.4388 4.4388 4.8695 4.8695 7.2734 7.2734 7.6188 7.6188 7.8472 7.8472 10.1159 10.1159 k = 0.0244 0.0141 0.4324 ( 5684 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8476 -18.8476 -18.6860 -18.6860 -18.6770 -18.6770 -18.6645 -18.6645 -18.6584 -18.6584 -9.0048 -9.0048 -4.1913 -4.1913 0.3611 0.3611 0.5561 0.5561 1.5642 1.5642 1.7157 1.7157 2.4874 2.4874 3.5177 3.5177 4.4377 4.4377 4.8685 4.8685 7.2684 7.2684 7.6133 7.6133 7.8541 7.8541 10.1168 10.1168 k = 0.0366 0.0211 0.4324 ( 5700 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8477 -18.8477 -18.6861 -18.6861 -18.6771 -18.6771 -18.6645 -18.6645 -18.6585 -18.6585 -9.0042 -9.0042 -4.1905 -4.1905 0.3588 0.3588 0.5533 0.5533 1.5661 1.5661 1.7218 1.7218 2.4878 2.4878 3.5183 3.5183 4.4359 4.4359 4.8668 4.8668 7.2598 7.2598 7.6045 7.6045 7.8655 7.8655 10.1184 10.1184 k = 0.0488 0.0282 0.4324 ( 5704 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8477 -18.8477 -18.6861 -18.6861 -18.6772 -18.6772 -18.6644 -18.6644 -18.6585 -18.6585 -9.0034 -9.0034 -4.1894 -4.1894 0.3556 0.3556 0.5495 0.5495 1.5688 1.5688 1.7302 1.7302 2.4884 2.4884 3.5193 3.5193 4.4333 4.4333 4.8646 4.8646 7.2474 7.2474 7.5926 7.5926 7.8815 7.8815 10.1206 10.1206 k = 0.0610 0.0352 0.4324 ( 5700 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8478 -18.8478 -18.6861 -18.6861 -18.6773 -18.6773 -18.6644 -18.6644 -18.6585 -18.6585 -9.0024 -9.0024 -4.1879 -4.1879 0.3513 0.3513 0.5448 0.5448 1.5723 1.5723 1.7408 1.7408 2.4891 2.4891 3.5205 3.5205 4.4301 4.4301 4.8617 4.8617 7.2308 7.2308 7.5780 7.5780 7.9021 7.9021 10.1233 10.1233 k = 0.0732 0.0422 0.4324 ( 5708 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8479 -18.8479 -18.6862 -18.6862 -18.6775 -18.6775 -18.6643 -18.6643 -18.6586 -18.6586 -9.0012 -9.0012 -4.1861 -4.1861 0.3460 0.3460 0.5394 0.5394 1.5766 1.5766 1.7535 1.7535 2.4900 2.4900 3.5220 3.5220 4.4261 4.4261 4.8584 4.8584 7.2096 7.2096 7.5612 7.5612 7.9272 7.9272 10.1265 10.1265 k = 0.0854 0.0493 0.4324 ( 5708 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8479 -18.8479 -18.6862 -18.6862 -18.6776 -18.6776 -18.6643 -18.6643 -18.6586 -18.6586 -8.9998 -8.9998 -4.1841 -4.1841 0.3396 0.3396 0.5334 0.5334 1.5817 1.5817 1.7684 1.7684 2.4911 2.4911 3.5238 3.5238 4.4216 4.4216 4.8545 4.8545 7.1835 7.1835 7.5428 7.5428 7.9568 7.9568 10.1302 10.1302 k = 0.0976 0.0563 0.4324 ( 5700 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8480 -18.8480 -18.6862 -18.6862 -18.6778 -18.6778 -18.6642 -18.6642 -18.6586 -18.6586 -8.9983 -8.9983 -4.1817 -4.1817 0.3321 0.3321 0.5270 0.5270 1.5876 1.5876 1.7851 1.7851 2.4924 2.4924 3.5260 3.5260 4.4165 4.4165 4.8503 4.8503 7.1519 7.1519 7.5233 7.5233 7.9907 7.9907 10.1344 10.1344 k = 0.1098 0.0634 0.4324 ( 5694 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8481 -18.8481 -18.6862 -18.6862 -18.6779 -18.6779 -18.6641 -18.6641 -18.6586 -18.6586 -8.9965 -8.9965 -4.1791 -4.1791 0.3235 0.3235 0.5203 0.5203 1.5943 1.5943 1.8038 1.8038 2.4938 2.4938 3.5285 3.5285 4.4108 4.4108 4.8457 4.8457 7.1148 7.1148 7.5031 7.5031 8.0288 8.0288 10.1388 10.1388 k = 0.1220 0.0704 0.4324 ( 5702 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8482 -18.8482 -18.6863 -18.6863 -18.6782 -18.6782 -18.6640 -18.6640 -18.6587 -18.6587 -8.9945 -8.9945 -4.1762 -4.1762 0.3137 0.3137 0.5134 0.5134 1.6017 1.6017 1.8242 1.8242 2.4954 2.4954 3.5313 3.5313 4.4046 4.4046 4.8407 4.8407 7.0719 7.0719 7.4828 7.4828 8.0709 8.0709 10.1436 10.1436 k = 0.1341 0.0774 0.4324 ( 5694 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8560 -18.8560 -18.8483 -18.8483 -18.6863 -18.6863 -18.6783 -18.6783 -18.6639 -18.6639 -18.6587 -18.6587 -8.9924 -8.9924 -4.1731 -4.1731 0.3027 0.3027 0.5066 0.5066 1.6097 1.6097 1.8465 1.8465 2.4973 2.4973 3.5345 3.5345 4.3980 4.3980 4.8356 4.8356 7.0234 7.0234 7.4624 7.4624 8.1168 8.1168 10.1487 10.1487 k = 0.1463 0.0845 0.4324 ( 5706 PWs) bands (ev): -46.7981 -46.7981 -46.7965 -46.7965 -18.8560 -18.8560 -18.8485 -18.8485 -18.6864 -18.6864 -18.6786 -18.6786 -18.6639 -18.6639 -18.6588 -18.6588 -8.9901 -8.9901 -4.1698 -4.1698 0.2907 0.2907 0.4999 0.4999 1.6182 1.6182 1.8703 1.8703 2.4993 2.4993 3.5381 3.5381 4.3910 4.3910 4.8302 4.8302 6.9694 6.9694 7.4421 7.4421 8.1663 8.1663 10.1540 10.1540 k = 0.1585 0.0915 0.4324 ( 5710 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8561 -18.8561 -18.8486 -18.8486 -18.6865 -18.6865 -18.6788 -18.6788 -18.6639 -18.6639 -18.6588 -18.6588 -8.9877 -8.9877 -4.1663 -4.1663 0.2775 0.2775 0.4933 0.4933 1.6272 1.6272 1.8958 1.8958 2.5017 2.5017 3.5421 3.5421 4.3837 4.3837 4.8247 4.8247 6.9102 6.9102 7.4220 7.4220 8.2190 8.2190 10.1595 10.1595 k = 0.1707 0.0986 0.4324 ( 5718 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8561 -18.8561 -18.8488 -18.8488 -18.6866 -18.6866 -18.6791 -18.6791 -18.6638 -18.6638 -18.6589 -18.6589 -8.9852 -8.9852 -4.1625 -4.1625 0.2635 0.2635 0.4870 0.4870 1.6366 1.6366 1.9228 1.9228 2.5043 2.5043 3.5465 3.5465 4.3762 4.3762 4.8192 4.8192 6.8462 6.8462 7.4021 7.4021 8.2748 8.2748 10.1651 10.1651 k = 0.1829 0.1056 0.4324 ( 5716 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8489 -18.8489 -18.6866 -18.6866 -18.6793 -18.6793 -18.6638 -18.6638 -18.6589 -18.6589 -8.9826 -8.9826 -4.1587 -4.1587 0.2486 0.2486 0.4809 0.4809 1.6462 1.6462 1.9513 1.9513 2.5074 2.5074 3.5513 3.5513 4.3684 4.3684 4.8136 4.8136 6.7778 6.7778 7.3824 7.3824 8.3333 8.3333 10.1709 10.1709 k = 0.1951 0.1127 0.4324 ( 5716 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8491 -18.8491 -18.6867 -18.6867 -18.6796 -18.6796 -18.6637 -18.6637 -18.6590 -18.6590 -8.9798 -8.9798 -4.1547 -4.1547 0.2330 0.2330 0.4752 0.4752 1.6560 1.6560 1.9810 1.9810 2.5109 2.5109 3.5565 3.5565 4.3606 4.3606 4.8080 4.8080 6.7053 6.7053 7.3627 7.3627 8.3942 8.3942 10.1767 10.1767 k = 0.2073 0.1197 0.4324 ( 5716 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8493 -18.8493 -18.6867 -18.6867 -18.6798 -18.6798 -18.6636 -18.6636 -18.6591 -18.6591 -8.9770 -8.9770 -4.1506 -4.1506 0.2168 0.2168 0.4697 0.4697 1.6659 1.6659 2.0118 2.0118 2.5150 2.5150 3.5621 3.5621 4.3527 4.3527 4.8024 4.8024 6.6293 6.6293 7.3432 7.3432 8.4572 8.4572 10.1827 10.1827 k = 0.2195 0.1267 0.4324 ( 5718 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8563 -18.8563 -18.8494 -18.8494 -18.6868 -18.6868 -18.6801 -18.6801 -18.6636 -18.6636 -18.6592 -18.6592 -8.9741 -8.9741 -4.1464 -4.1464 0.2002 0.2002 0.4645 0.4645 1.6757 1.6757 2.0435 2.0435 2.5199 2.5199 3.5682 3.5682 4.3449 4.3449 4.7970 4.7970 6.5500 6.5500 7.3237 7.3237 8.5220 8.5220 10.1887 10.1887 k = 0.2317 0.1338 0.4324 ( 5718 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8563 -18.8563 -18.8496 -18.8496 -18.6868 -18.6868 -18.6803 -18.6803 -18.6636 -18.6636 -18.6592 -18.6592 -8.9712 -8.9712 -4.1421 -4.1421 0.1832 0.1832 0.4595 0.4595 1.6856 1.6856 2.0759 2.0759 2.5258 2.5258 3.5747 3.5747 4.3372 4.3372 4.7917 4.7917 6.4680 6.4680 7.3043 7.3043 8.5882 8.5882 10.1948 10.1948 k = 0.2439 0.1408 0.4324 ( 5710 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8498 -18.8498 -18.6868 -18.6868 -18.6806 -18.6806 -18.6635 -18.6635 -18.6593 -18.6593 -8.9683 -8.9683 -4.1378 -4.1378 0.1662 0.1662 0.4548 0.4548 1.6952 1.6952 2.1085 2.1085 2.5330 2.5330 3.5816 3.5816 4.3297 4.3297 4.7865 4.7865 6.3835 6.3835 7.2850 7.2850 8.6554 8.6554 10.2010 10.2010 k = 0.2561 0.1479 0.4324 ( 5710 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8500 -18.8500 -18.6869 -18.6869 -18.6808 -18.6808 -18.6635 -18.6635 -18.6593 -18.6593 -8.9653 -8.9653 -4.1335 -4.1335 0.1491 0.1491 0.4503 0.4503 1.7047 1.7047 2.1409 2.1409 2.5417 2.5417 3.5890 3.5890 4.3224 4.3224 4.7814 4.7814 6.2969 6.2969 7.2658 7.2658 8.7233 8.7233 10.2073 10.2073 k = 0.2683 0.1549 0.4324 ( 5702 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8501 -18.8501 -18.6869 -18.6869 -18.6811 -18.6811 -18.6634 -18.6634 -18.6594 -18.6594 -8.9623 -8.9623 -4.1293 -4.1293 0.1321 0.1321 0.4461 0.4461 1.7139 1.7139 2.1727 2.1727 2.5525 2.5525 3.5967 3.5967 4.3155 4.3155 4.7766 4.7766 6.2087 6.2087 7.2468 7.2468 8.7915 8.7915 10.2136 10.2136 k = 0.2805 0.1619 0.4324 ( 5708 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8504 -18.8504 -18.6869 -18.6869 -18.6813 -18.6813 -18.6635 -18.6635 -18.6595 -18.6595 -8.9594 -8.9594 -4.1250 -4.1250 0.1153 0.1153 0.4420 0.4420 1.7228 1.7228 2.2032 2.2032 2.5658 2.5658 3.6049 3.6049 4.3091 4.3091 4.7719 4.7719 6.1192 6.1192 7.2281 7.2281 8.8595 8.8595 10.2199 10.2199 k = 0.2927 0.1690 0.4324 ( 5696 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8505 -18.8505 -18.6869 -18.6869 -18.6816 -18.6816 -18.6634 -18.6634 -18.6595 -18.6595 -8.9565 -8.9565 -4.1208 -4.1208 0.0989 0.0989 0.4382 0.4382 1.7314 1.7314 2.2317 2.2317 2.5820 2.5820 3.6134 3.6134 4.3031 4.3031 4.7675 4.7675 6.0287 6.0287 7.2097 7.2097 8.9270 8.9270 10.2263 10.2263 k = 0.3049 0.1760 0.4324 ( 5700 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8507 -18.8507 -18.6870 -18.6870 -18.6818 -18.6818 -18.6634 -18.6634 -18.6596 -18.6596 -8.9537 -8.9537 -4.1168 -4.1168 0.0829 0.0829 0.4346 0.4346 1.7396 1.7396 2.2576 2.2576 2.6017 2.6017 3.6223 3.6223 4.2978 4.2978 4.7633 4.7633 5.9377 5.9377 7.1917 7.1917 8.9934 8.9934 10.2328 10.2328 k = 0.3171 0.1831 0.4324 ( 5712 PWs) bands (ev): -46.7979 -46.7979 -46.7968 -46.7968 -18.8563 -18.8563 -18.8509 -18.8509 -18.6870 -18.6870 -18.6821 -18.6821 -18.6634 -18.6634 -18.6597 -18.6597 -8.9509 -8.9509 -4.1128 -4.1128 0.0674 0.0674 0.4312 0.4312 1.7474 1.7474 2.2805 2.2805 2.6250 2.6250 3.6315 3.6315 4.2931 4.2931 4.7593 4.7593 5.8464 5.8464 7.1742 7.1742 9.0583 9.0583 10.2394 10.2394 k = 0.3293 0.1901 0.4324 ( 5716 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8511 -18.8511 -18.6871 -18.6871 -18.6823 -18.6823 -18.6634 -18.6634 -18.6597 -18.6597 -8.9482 -8.9482 -4.1089 -4.1089 0.0525 0.0525 0.4279 0.4279 1.7547 1.7547 2.3002 2.3002 2.6520 2.6520 3.6412 3.6412 4.2893 4.2893 4.7556 4.7556 5.7554 5.7554 7.1572 7.1572 9.1212 9.1212 10.2461 10.2461 k = 0.3415 0.1971 0.4324 ( 5718 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8513 -18.8513 -18.6871 -18.6871 -18.6826 -18.6826 -18.6634 -18.6634 -18.6598 -18.6598 -8.9457 -8.9457 -4.1053 -4.1053 0.0383 0.0383 0.4249 0.4249 1.7616 1.7616 2.3166 2.3166 2.6822 2.6822 3.6511 3.6511 4.2864 4.2864 4.7521 4.7521 5.6649 5.6649 7.1409 7.1409 9.1818 9.1818 10.2529 10.2529 k = 0.3537 0.2042 0.4324 ( 5710 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8515 -18.8515 -18.6871 -18.6871 -18.6827 -18.6827 -18.6635 -18.6635 -18.6598 -18.6598 -8.9432 -8.9432 -4.1018 -4.1018 0.0249 0.0249 0.4221 0.4221 1.7681 1.7681 2.3299 2.3299 2.7152 2.7152 3.6613 3.6613 4.2845 4.2845 4.7489 4.7489 5.5755 5.5755 7.1253 7.1253 9.2394 9.2394 10.2599 10.2599 k = 0.3659 0.2112 0.4324 ( 5706 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8562 -18.8562 -18.8516 -18.8516 -18.6871 -18.6871 -18.6829 -18.6829 -18.6635 -18.6635 -18.6598 -18.6598 -8.9409 -8.9409 -4.0985 -4.0985 0.0123 0.0123 0.4195 0.4195 1.7740 1.7740 2.3407 2.3407 2.7501 2.7501 3.6718 3.6718 4.2838 4.2838 4.7459 4.7459 5.4876 5.4876 7.1106 7.1106 9.2936 9.2936 10.2671 10.2671 k = 0.3780 0.2183 0.4324 ( 5702 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8562 -18.8562 -18.8518 -18.8518 -18.6871 -18.6871 -18.6831 -18.6831 -18.6635 -18.6635 -18.6598 -18.6598 -8.9387 -8.9387 -4.0954 -4.0954 0.0006 0.0006 0.4170 0.4170 1.7795 1.7795 2.3492 2.3492 2.7860 2.7860 3.6826 3.6826 4.2843 4.2843 4.7432 4.7432 5.4017 5.4017 7.0968 7.0968 9.3440 9.3440 10.2747 10.2747 k = 0.3902 0.2253 0.4324 ( 5702 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8520 -18.8520 -18.6871 -18.6871 -18.6833 -18.6833 -18.6635 -18.6635 -18.6598 -18.6598 -8.9368 -8.9368 -4.0925 -4.0925 -0.0101 -0.0101 0.4148 0.4148 1.7845 1.7845 2.3560 2.3560 2.8221 2.8221 3.6934 3.6934 4.2864 4.2864 4.7408 4.7408 5.3184 5.3184 7.0840 7.0840 9.3903 9.3903 10.2827 10.2827 k = 0.4024 0.2323 0.4324 ( 5698 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8521 -18.8521 -18.6870 -18.6870 -18.6834 -18.6834 -18.6635 -18.6635 -18.6599 -18.6599 -8.9349 -8.9349 -4.0900 -4.0900 -0.0198 -0.0198 0.4129 0.4129 1.7890 1.7890 2.3613 2.3613 2.8574 2.8574 3.7043 3.7043 4.2900 4.2900 4.7386 4.7386 5.2384 5.2384 7.0724 7.0724 9.4320 9.4320 10.2912 10.2912 k = 0.4146 0.2394 0.4324 ( 5702 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8522 -18.8522 -18.6870 -18.6870 -18.6836 -18.6836 -18.6635 -18.6635 -18.6599 -18.6599 -8.9333 -8.9333 -4.0876 -4.0876 -0.0285 -0.0285 0.4111 0.4111 1.7929 1.7929 2.3654 2.3654 2.8911 2.8911 3.7151 3.7151 4.2952 4.2952 4.7367 4.7367 5.1623 5.1623 7.0619 7.0619 9.4690 9.4690 10.3002 10.3002 k = 0.4268 0.2464 0.4324 ( 5698 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8560 -18.8560 -18.8524 -18.8524 -18.6870 -18.6870 -18.6837 -18.6837 -18.6635 -18.6635 -18.6599 -18.6599 -8.9319 -8.9319 -4.0856 -4.0856 -0.0361 -0.0361 0.4096 0.4096 1.7963 1.7963 2.3686 2.3686 2.9223 2.9223 3.7255 3.7255 4.3020 4.3020 4.7350 4.7350 5.0913 5.0913 7.0526 7.0526 9.5010 9.5010 10.3098 10.3098 k = 0.4390 0.2535 0.4324 ( 5682 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8524 -18.8524 -18.6870 -18.6870 -18.6838 -18.6838 -18.6635 -18.6635 -18.6598 -18.6598 -8.9306 -8.9306 -4.0838 -4.0838 -0.0426 -0.0426 0.4082 0.4082 1.7993 1.7993 2.3710 2.3710 2.9501 2.9501 3.7353 3.7353 4.3103 4.3103 4.7337 4.7337 5.0263 5.0263 7.0446 7.0446 9.5280 9.5280 10.3199 10.3199 k = 0.4512 0.2605 0.4324 ( 5676 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8525 -18.8525 -18.6869 -18.6869 -18.6839 -18.6839 -18.6635 -18.6635 -18.6598 -18.6598 -8.9296 -8.9296 -4.0824 -4.0824 -0.0479 -0.0479 0.4072 0.4072 1.8017 1.8017 2.3729 2.3729 2.9740 2.9740 3.7440 3.7440 4.3196 4.3196 4.7325 4.7325 4.9690 4.9690 7.0380 7.0380 9.5500 9.5500 10.3302 10.3302 k = 0.4634 0.2676 0.4324 ( 5688 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8526 -18.8526 -18.6870 -18.6870 -18.6840 -18.6840 -18.6636 -18.6636 -18.6599 -18.6599 -8.9288 -8.9288 -4.0813 -4.0813 -0.0521 -0.0521 0.4063 0.4063 1.8035 1.8035 2.3742 2.3742 2.9933 2.9933 3.7513 3.7513 4.3291 4.3291 4.7317 4.7317 4.9209 4.9209 7.0329 7.0329 9.5669 9.5669 10.3402 10.3402 k = 0.4756 0.2746 0.4324 ( 5690 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8527 -18.8527 -18.6870 -18.6870 -18.6840 -18.6840 -18.6636 -18.6636 -18.6599 -18.6599 -8.9283 -8.9283 -4.0805 -4.0805 -0.0551 -0.0551 0.4057 0.4057 1.8048 1.8048 2.3751 2.3751 3.0074 3.0074 3.7569 3.7569 4.3376 4.3376 4.7311 4.7311 4.8841 4.8841 7.0291 7.0291 9.5789 9.5789 10.3489 10.3489 k = 0.4878 0.2816 0.4324 ( 5694 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6636 -18.6636 -18.6599 -18.6599 -8.9279 -8.9279 -4.0800 -4.0800 -0.0569 -0.0569 0.4054 0.4054 1.8056 1.8056 2.3756 2.3756 3.0160 3.0160 3.7604 3.7604 4.3435 4.3435 4.7307 4.7307 4.8609 4.8609 7.0269 7.0269 9.5861 9.5861 10.3551 10.3551 k = 0.5000 0.2887 0.4324 ( 5696 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6636 -18.6636 -18.6599 -18.6599 -8.9278 -8.9278 -4.0798 -4.0798 -0.0575 -0.0575 0.4052 0.4052 1.8059 1.8059 2.3758 2.3758 3.0189 3.0189 3.7616 3.7616 4.3457 4.3457 4.7306 4.7306 4.8529 4.8529 7.0261 7.0261 9.5885 9.5885 10.3574 10.3574 k = 0.5000 0.2887 0.4324 ( 5696 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6636 -18.6636 -18.6599 -18.6599 -8.9278 -8.9278 -4.0798 -4.0798 -0.0575 -0.0575 0.4052 0.4052 1.8059 1.8059 2.3758 2.3758 3.0189 3.0189 3.7616 3.7616 4.3457 4.3457 4.7306 4.7306 4.8529 4.8529 7.0261 7.0261 9.5885 9.5885 10.3574 10.3574 k = 0.4931 0.3007 0.4324 ( 5686 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8527 -18.8527 -18.6870 -18.6870 -18.6840 -18.6840 -18.6636 -18.6636 -18.6599 -18.6599 -8.9278 -8.9278 -4.0798 -4.0798 -0.0572 -0.0572 0.4046 0.4046 1.8060 1.8060 2.3764 2.3764 3.0189 3.0189 3.7607 3.7607 4.3456 4.3456 4.7300 4.7300 4.8554 4.8554 7.0228 7.0228 9.5912 9.5912 10.3581 10.3581 k = 0.4861 0.3127 0.4324 ( 5680 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8527 -18.8527 -18.6870 -18.6870 -18.6840 -18.6840 -18.6636 -18.6636 -18.6598 -18.6598 -8.9277 -8.9277 -4.0796 -4.0796 -0.0561 -0.0561 0.4026 0.4026 1.8064 1.8064 2.3784 2.3784 3.0189 3.0189 3.7579 3.7579 4.3454 4.3454 4.7284 4.7284 4.8627 4.8627 7.0126 7.0126 9.5993 9.5993 10.3601 10.3601 k = 0.4792 0.3248 0.4324 ( 5692 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8559 -18.8559 -18.8527 -18.8527 -18.6872 -18.6872 -18.6839 -18.6839 -18.6638 -18.6638 -18.6598 -18.6598 -8.9275 -8.9275 -4.0793 -4.0793 -0.0545 -0.0545 0.3993 0.3993 1.8070 1.8070 2.3815 2.3815 3.0189 3.0189 3.7534 3.7534 4.3451 4.3451 4.7258 4.7258 4.8746 4.8746 6.9959 6.9959 9.6127 9.6127 10.3634 10.3634 k = 0.4722 0.3368 0.4324 ( 5696 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8528 -18.8528 -18.6873 -18.6873 -18.6837 -18.6837 -18.6639 -18.6639 -18.6598 -18.6598 -8.9272 -8.9272 -4.0790 -4.0790 -0.0521 -0.0521 0.3947 0.3947 1.8078 1.8078 2.3859 2.3859 3.0190 3.0190 3.7472 3.7472 4.3447 4.3447 4.7226 4.7226 4.8907 4.8907 6.9728 6.9728 9.6312 9.6312 10.3681 10.3681 k = 0.4653 0.3488 0.4324 ( 5696 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8528 -18.8528 -18.6874 -18.6874 -18.6836 -18.6836 -18.6640 -18.6640 -18.6597 -18.6597 -8.9269 -8.9269 -4.0786 -4.0786 -0.0491 -0.0491 0.3889 0.3889 1.8088 1.8088 2.3915 2.3915 3.0192 3.0192 3.7395 3.7395 4.3441 4.3441 4.7189 4.7189 4.9107 4.9107 6.9434 6.9434 9.6547 9.6547 10.3742 10.3742 k = 0.4583 0.3608 0.4324 ( 5694 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8528 -18.8528 -18.6876 -18.6876 -18.6834 -18.6834 -18.6642 -18.6642 -18.6597 -18.6597 -8.9265 -8.9265 -4.0780 -4.0780 -0.0454 -0.0454 0.3819 0.3819 1.8101 1.8101 2.3980 2.3980 3.0196 3.0196 3.7304 3.7304 4.3434 4.3434 4.7149 4.7149 4.9343 4.9343 6.9081 6.9081 9.6829 9.6829 10.3817 10.3817 k = 0.4514 0.3729 0.4324 ( 5694 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8558 -18.8558 -18.8529 -18.8529 -18.6877 -18.6877 -18.6832 -18.6832 -18.6643 -18.6643 -18.6596 -18.6596 -8.9261 -8.9261 -4.0774 -4.0774 -0.0412 -0.0412 0.3739 0.3739 1.8115 1.8115 2.4055 2.4055 3.0203 3.0203 3.7200 3.7200 4.3426 4.3426 4.7107 4.7107 4.9613 4.9613 6.8673 6.8673 9.7156 9.7156 10.3905 10.3905 k = 0.4444 0.3849 0.4324 ( 5690 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8558 -18.8558 -18.8529 -18.8529 -18.6879 -18.6879 -18.6830 -18.6830 -18.6645 -18.6645 -18.6595 -18.6595 -8.9256 -8.9256 -4.0768 -4.0768 -0.0363 -0.0363 0.3648 0.3648 1.8130 1.8130 2.4138 2.4138 3.0214 3.0214 3.7086 3.7086 4.3418 4.3418 4.7064 4.7064 4.9914 4.9914 6.8213 6.8213 9.7523 9.7523 10.4009 10.4009 k = 0.4375 0.3969 0.4324 ( 5704 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8558 -18.8558 -18.8530 -18.8530 -18.6881 -18.6881 -18.6828 -18.6828 -18.6647 -18.6647 -18.6595 -18.6595 -8.9251 -8.9251 -4.0760 -4.0760 -0.0309 -0.0309 0.3549 0.3549 1.8147 1.8147 2.4228 2.4228 3.0231 3.0231 3.6963 3.6963 4.3409 4.3409 4.7020 4.7020 5.0244 5.0244 6.7706 6.7706 9.7926 9.7926 10.4127 10.4127 k = 0.4306 0.4090 0.4324 ( 5714 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8558 -18.8558 -18.8531 -18.8531 -18.6883 -18.6883 -18.6826 -18.6826 -18.6650 -18.6650 -18.6594 -18.6594 -8.9246 -8.9246 -4.0752 -4.0752 -0.0250 -0.0250 0.3441 0.3441 1.8165 1.8165 2.4322 2.4322 3.0254 3.0254 3.6833 3.6833 4.3399 4.3399 4.6975 4.6975 5.0601 5.0601 6.7157 6.7157 9.8360 9.8360 10.4258 10.4258 k = 0.4236 0.4210 0.4324 ( 5718 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8557 -18.8557 -18.8532 -18.8532 -18.6885 -18.6885 -18.6824 -18.6824 -18.6652 -18.6652 -18.6594 -18.6594 -8.9240 -8.9240 -4.0744 -4.0744 -0.0186 -0.0186 0.3327 0.3327 1.8183 1.8183 2.4419 2.4419 3.0286 3.0286 3.6696 3.6696 4.3389 4.3389 4.6930 4.6930 5.0983 5.0983 6.6570 6.6570 9.8819 9.8819 10.4372 10.4372 k = 0.4167 0.4330 0.4324 ( 5714 PWs) bands (ev): -46.7975 -46.7975 -46.7970 -46.7970 -18.8557 -18.8557 -18.8533 -18.8533 -18.6886 -18.6886 -18.6822 -18.6822 -18.6653 -18.6653 -18.6593 -18.6593 -8.9234 -8.9234 -4.0736 -4.0736 -0.0118 -0.0118 0.3208 0.3208 1.8202 1.8202 2.4517 2.4517 3.0326 3.0326 3.6556 3.6556 4.3378 4.3378 4.6886 4.6886 5.1388 5.1388 6.5950 6.5950 9.9296 9.9296 10.4338 10.4338 k = 0.4097 0.4450 0.4324 ( 5718 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8556 -18.8556 -18.8534 -18.8534 -18.6887 -18.6887 -18.6821 -18.6821 -18.6656 -18.6656 -18.6592 -18.6592 -8.9228 -8.9228 -4.0727 -4.0727 -0.0046 -0.0046 0.3084 0.3084 1.8221 1.8221 2.4614 2.4614 3.0377 3.0377 3.6412 3.6412 4.3368 4.3368 4.6844 4.6844 5.1813 5.1813 6.5304 6.5304 9.9783 9.9783 10.4261 10.4261 k = 0.4028 0.4571 0.4324 ( 5718 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8556 -18.8556 -18.8535 -18.8535 -18.6889 -18.6889 -18.6819 -18.6819 -18.6657 -18.6657 -18.6592 -18.6592 -8.9221 -8.9221 -4.0718 -4.0718 0.0029 0.0029 0.2958 0.2958 1.8240 1.8240 2.4707 2.4707 3.0438 3.0438 3.6267 3.6267 4.3358 4.3358 4.6803 4.6803 5.2258 5.2258 6.4637 6.4637 10.0271 10.0271 10.4177 10.4177 k = 0.3958 0.4691 0.4324 ( 5710 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8555 -18.8555 -18.8535 -18.8535 -18.6890 -18.6890 -18.6817 -18.6817 -18.6659 -18.6659 -18.6591 -18.6591 -8.9215 -8.9215 -4.0710 -4.0710 0.0106 0.0106 0.2831 0.2831 1.8258 1.8258 2.4796 2.4796 3.0510 3.0510 3.6121 3.6121 4.3348 4.3348 4.6764 4.6764 5.2718 5.2718 6.3954 6.3954 10.0751 10.0751 10.4091 10.4091 k = 0.3889 0.4811 0.4324 ( 5710 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8554 -18.8554 -18.8536 -18.8536 -18.6891 -18.6891 -18.6815 -18.6815 -18.6661 -18.6661 -18.6590 -18.6590 -8.9210 -8.9210 -4.0702 -4.0702 0.0184 0.0184 0.2705 0.2705 1.8276 1.8276 2.4877 2.4877 3.0593 3.0593 3.5977 3.5977 4.3339 4.3339 4.6728 4.6728 5.3193 5.3193 6.3263 6.3263 10.1214 10.1214 10.4003 10.4003 k = 0.3819 0.4932 0.4324 ( 5710 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8554 -18.8554 -18.8537 -18.8537 -18.6892 -18.6892 -18.6814 -18.6814 -18.6662 -18.6662 -18.6590 -18.6590 -8.9204 -8.9204 -4.0694 -4.0694 0.0261 0.0261 0.2583 0.2583 1.8292 1.8292 2.4951 2.4951 3.0686 3.0686 3.5837 3.5837 4.3331 4.3331 4.6694 4.6694 5.3680 5.3680 6.2568 6.2568 10.1649 10.1649 10.3916 10.3916 k = 0.3750 0.5052 0.4324 ( 5706 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8553 -18.8553 -18.8538 -18.8538 -18.6893 -18.6893 -18.6813 -18.6813 -18.6663 -18.6663 -18.6589 -18.6589 -8.9199 -8.9199 -4.0687 -4.0687 0.0337 0.0337 0.2467 0.2467 1.8307 1.8307 2.5014 2.5014 3.0785 3.0785 3.5703 3.5703 4.3324 4.3324 4.6665 4.6665 5.4175 5.4175 6.1879 6.1879 10.2049 10.2049 10.3831 10.3831 k = 0.3681 0.5172 0.4324 ( 5706 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8552 -18.8552 -18.8539 -18.8539 -18.6893 -18.6893 -18.6812 -18.6812 -18.6665 -18.6665 -18.6589 -18.6589 -8.9194 -8.9194 -4.0680 -4.0680 0.0408 0.0408 0.2359 0.2359 1.8321 1.8321 2.5068 2.5068 3.0887 3.0887 3.5578 3.5578 4.3318 4.3318 4.6639 4.6639 5.4674 5.4674 6.1203 6.1203 10.2407 10.2407 10.3749 10.3749 k = 0.3611 0.5292 0.4324 ( 5702 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8551 -18.8551 -18.8540 -18.8540 -18.6894 -18.6894 -18.6811 -18.6811 -18.6665 -18.6665 -18.6589 -18.6589 -8.9190 -8.9190 -4.0674 -4.0674 0.0472 0.0472 0.2263 0.2263 1.8332 1.8332 2.5111 2.5111 3.0986 3.0986 3.5465 3.5465 4.3314 4.3314 4.6617 4.6617 5.5170 5.5170 6.0552 6.0552 10.2717 10.2717 10.3671 10.3671 k = 0.3542 0.5413 0.4324 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8551 -18.8551 -18.8541 -18.8541 -18.6895 -18.6895 -18.6810 -18.6810 -18.6666 -18.6666 -18.6589 -18.6589 -8.9187 -8.9187 -4.0670 -4.0670 0.0527 0.0527 0.2183 0.2183 1.8341 1.8341 2.5144 2.5144 3.1078 3.1078 3.5370 3.5370 4.3311 4.3311 4.6600 4.6600 5.5649 5.5649 5.9944 5.9944 10.2975 10.2975 10.3598 10.3598 k = 0.3472 0.5533 0.4324 ( 5714 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6589 -18.6589 -8.9184 -8.9184 -4.0666 -4.0666 0.0568 0.0568 0.2123 0.2123 1.8348 1.8348 2.5166 2.5166 3.1153 3.1153 3.5296 3.5296 4.3309 4.3309 4.6587 4.6587 5.6084 5.6084 5.9411 5.9411 10.3177 10.3177 10.3534 10.3534 k = 0.3403 0.5653 0.4324 ( 5718 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8542 -18.8542 -18.6896 -18.6896 -18.6810 -18.6810 -18.6667 -18.6667 -18.6589 -18.6589 -8.9183 -8.9183 -4.0664 -4.0664 0.0594 0.0594 0.2085 0.2085 1.8352 1.8352 2.5179 2.5179 3.1203 3.1203 3.5249 3.5249 4.3309 4.3309 4.6580 4.6580 5.6418 5.6418 5.9014 5.9014 10.3313 10.3313 10.3484 10.3484 k = 0.3333 0.5774 0.4324 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9182 -8.9182 -4.0663 -4.0663 0.0603 0.0603 0.2073 0.2073 1.8354 1.8354 2.5183 2.5183 3.1222 3.1222 3.5232 3.5232 4.3309 4.3309 4.6577 4.6577 5.6549 5.6549 5.8861 5.8861 10.3361 10.3361 10.3465 10.3465 k = 0.3333 0.5774 0.4324 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9182 -8.9182 -4.0663 -4.0663 0.0603 0.0603 0.2073 0.2073 1.8354 1.8354 2.5183 2.5183 3.1222 3.1222 3.5232 3.5232 4.3309 4.3309 4.6577 4.6577 5.6549 5.6549 5.8861 5.8861 10.3361 10.3361 10.3465 10.3465 k = 0.3262 0.5651 0.4324 ( 5708 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9183 -8.9183 -4.0664 -4.0664 0.0594 0.0594 0.2086 0.2086 1.8352 1.8352 2.5179 2.5179 3.1201 3.1201 3.5250 3.5250 4.3309 4.3309 4.6580 4.6580 5.6421 5.6421 5.9014 5.9014 10.3337 10.3337 10.3456 10.3456 k = 0.3191 0.5528 0.4324 ( 5708 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8550 -18.8550 -18.8541 -18.8541 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9185 -8.9185 -4.0667 -4.0667 0.0571 0.0571 0.2122 0.2122 1.8347 1.8347 2.5168 2.5168 3.1135 3.1135 3.5301 3.5301 4.3307 4.3307 4.6588 4.6588 5.6125 5.6125 5.9388 5.9388 10.3292 10.3292 10.3400 10.3400 k = 0.3121 0.5405 0.4324 ( 5704 PWs) bands (ev): -46.7973 -46.7973 -46.7972 -46.7972 -18.8551 -18.8551 -18.8540 -18.8540 -18.6895 -18.6895 -18.6810 -18.6810 -18.6666 -18.6666 -18.6588 -18.6588 -8.9188 -8.9188 -4.0671 -4.0671 0.0538 0.0538 0.2178 0.2178 1.8339 1.8339 2.5150 2.5150 3.1025 3.1025 3.5383 3.5383 4.3304 4.3304 4.6603 4.6603 5.5777 5.5777 5.9872 5.9872 10.3189 10.3189 10.3327 10.3327 k = 0.3050 0.5282 0.4324 ( 5708 PWs) bands (ev): -46.7974 -46.7974 -46.7972 -46.7972 -18.8552 -18.8552 -18.8539 -18.8539 -18.6894 -18.6894 -18.6811 -18.6811 -18.6666 -18.6666 -18.6589 -18.6589 -8.9192 -8.9192 -4.0677 -4.0677 0.0498 0.0498 0.2250 0.2250 1.8327 1.8327 2.5126 2.5126 3.0870 3.0870 3.5490 3.5490 4.3297 4.3297 4.6623 4.6623 5.5441 5.5441 6.0409 6.0409 10.2971 10.2971 10.3293 10.3293 k = 0.2979 0.5159 0.4324 ( 5708 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8553 -18.8553 -18.8538 -18.8538 -18.6894 -18.6894 -18.6812 -18.6812 -18.6665 -18.6665 -18.6589 -18.6589 -8.9198 -8.9198 -4.0686 -4.0686 0.0457 0.0457 0.2334 0.2334 1.8312 1.8312 2.5097 2.5097 3.0676 3.0676 3.5613 3.5613 4.3286 4.3286 4.6649 4.6649 5.5146 5.5146 6.0973 6.0973 10.2658 10.2658 10.3277 10.3277 k = 0.2908 0.5036 0.4324 ( 5712 PWs) bands (ev): -46.7974 -46.7974 -46.7971 -46.7971 -18.8554 -18.8554 -18.8537 -18.8537 -18.6893 -18.6893 -18.6812 -18.6812 -18.6664 -18.6664 -18.6589 -18.6589 -8.9206 -8.9206 -4.0697 -4.0697 0.0418 0.0418 0.2427 0.2427 1.8293 1.8293 2.5063 2.5063 3.0445 3.0445 3.5745 3.5745 4.3269 4.3269 4.6681 4.6681 5.4911 5.4911 6.1551 6.1551 10.2262 10.2262 10.3270 10.3270 k = 0.2837 0.4914 0.4324 ( 5724 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8555 -18.8555 -18.8536 -18.8536 -18.6892 -18.6892 -18.6813 -18.6813 -18.6663 -18.6663 -18.6590 -18.6590 -8.9215 -8.9215 -4.0709 -4.0709 0.0382 0.0382 0.2526 0.2526 1.8270 1.8270 2.5025 2.5025 3.0183 3.0183 3.5879 3.5879 4.3246 4.3246 4.6718 4.6718 5.4746 5.4746 6.2137 6.2137 10.1792 10.1792 10.3267 10.3267 k = 0.2766 0.4791 0.4324 ( 5726 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8556 -18.8556 -18.8535 -18.8535 -18.6891 -18.6891 -18.6814 -18.6814 -18.6661 -18.6661 -18.6590 -18.6590 -8.9226 -8.9226 -4.0724 -4.0724 0.0353 0.0353 0.2629 0.2629 1.8243 1.8243 2.4982 2.4982 2.9893 2.9893 3.6007 3.6007 4.3216 4.3216 4.6760 4.6760 5.4657 5.4657 6.2726 6.2726 10.1255 10.1255 10.3264 10.3264 k = 0.2695 0.4668 0.4324 ( 5730 PWs) bands (ev): -46.7975 -46.7975 -46.7971 -46.7971 -18.8557 -18.8557 -18.8533 -18.8533 -18.6891 -18.6891 -18.6815 -18.6815 -18.6660 -18.6660 -18.6591 -18.6591 -8.9238 -8.9238 -4.0741 -4.0741 0.0333 0.0333 0.2735 0.2735 1.8212 1.8212 2.4935 2.4935 2.9580 2.9580 3.6125 3.6125 4.3181 4.3181 4.6806 4.6806 5.4648 5.4648 6.3315 6.3315 10.0662 10.0662 10.3257 10.3257 k = 0.2624 0.4545 0.4324 ( 5726 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8557 -18.8557 -18.8531 -18.8531 -18.6889 -18.6889 -18.6816 -18.6816 -18.6658 -18.6658 -18.6591 -18.6591 -8.9252 -8.9252 -4.0761 -4.0761 0.0321 0.0321 0.2842 0.2842 1.8177 1.8177 2.4884 2.4884 2.9248 2.9248 3.6228 3.6228 4.3141 4.3141 4.6854 4.6854 5.4721 5.4721 6.3901 6.3901 10.0019 10.0019 10.3243 10.3243 k = 0.2553 0.4422 0.4324 ( 5726 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8558 -18.8558 -18.8530 -18.8530 -18.6888 -18.6888 -18.6817 -18.6817 -18.6656 -18.6656 -18.6592 -18.6592 -8.9267 -8.9267 -4.0783 -4.0783 0.0320 0.0320 0.2949 0.2949 1.8138 1.8138 2.4827 2.4827 2.8900 2.8900 3.6314 3.6314 4.3099 4.3099 4.6905 4.6905 5.4876 5.4876 6.4483 6.4483 9.9336 9.9336 10.3217 10.3217 k = 0.2482 0.4299 0.4324 ( 5734 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8559 -18.8559 -18.8528 -18.8528 -18.6887 -18.6887 -18.6817 -18.6817 -18.6655 -18.6655 -18.6592 -18.6592 -8.9284 -8.9284 -4.0807 -4.0807 0.0330 0.0330 0.3056 0.3056 1.8095 1.8095 2.4763 2.4763 2.8541 2.8541 3.6381 3.6381 4.3057 4.3057 4.6958 4.6958 5.5109 5.5109 6.5057 6.5057 9.8618 9.8618 10.3179 10.3179 k = 0.2411 0.4177 0.4324 ( 5730 PWs) bands (ev): -46.7976 -46.7976 -46.7970 -46.7970 -18.8560 -18.8560 -18.8526 -18.8526 -18.6885 -18.6885 -18.6818 -18.6818 -18.6653 -18.6653 -18.6592 -18.6592 -8.9302 -8.9302 -4.0833 -4.0833 0.0350 0.0350 0.3163 0.3163 1.8047 1.8047 2.4691 2.4691 2.8175 2.8175 3.6428 3.6428 4.3017 4.3017 4.7012 4.7012 5.5417 5.5417 6.5624 6.5624 9.7874 9.7874 10.3128 10.3128 k = 0.2340 0.4054 0.4324 ( 5726 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8560 -18.8560 -18.8524 -18.8524 -18.6884 -18.6884 -18.6818 -18.6818 -18.6651 -18.6651 -18.6593 -18.6593 -8.9322 -8.9322 -4.0861 -4.0861 0.0383 0.0383 0.3268 0.3268 1.7996 1.7996 2.4607 2.4607 2.7809 2.7809 3.6455 3.6455 4.2982 4.2982 4.7066 4.7066 5.5794 5.5794 6.6182 6.6182 9.7108 9.7108 10.3065 10.3065 k = 0.2270 0.3931 0.4324 ( 5722 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8522 -18.8522 -18.6882 -18.6882 -18.6818 -18.6818 -18.6649 -18.6649 -18.6593 -18.6593 -8.9344 -8.9344 -4.0892 -4.0892 0.0427 0.0427 0.3371 0.3371 1.7940 1.7940 2.4508 2.4508 2.7447 2.7447 3.6464 3.6464 4.2954 4.2954 4.7121 4.7121 5.6235 5.6235 6.6728 6.6728 9.6325 9.6325 10.2994 10.2994 k = 0.2199 0.3808 0.4324 ( 5720 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8520 -18.8520 -18.6881 -18.6881 -18.6818 -18.6818 -18.6648 -18.6648 -18.6593 -18.6593 -8.9367 -8.9367 -4.0924 -4.0924 0.0483 0.0483 0.3472 0.3472 1.7880 1.7880 2.4389 2.4389 2.7098 2.7098 3.6456 3.6456 4.2935 4.2935 4.7176 4.7176 5.6733 5.6733 6.7262 6.7262 9.5530 9.5530 10.2915 10.2915 k = 0.2128 0.3685 0.4324 ( 5706 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8561 -18.8561 -18.8518 -18.8518 -18.6879 -18.6879 -18.6818 -18.6818 -18.6646 -18.6646 -18.6593 -18.6593 -8.9391 -8.9391 -4.0959 -4.0959 0.0550 0.0550 0.3571 0.3571 1.7816 1.7816 2.4244 2.4244 2.6769 2.6769 3.6432 3.6432 4.2924 4.2924 4.7232 4.7232 5.7283 5.7283 6.7782 6.7782 9.4727 9.4727 10.2833 10.2833 k = 0.2057 0.3562 0.4324 ( 5714 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8562 -18.8562 -18.8516 -18.8516 -18.6878 -18.6878 -18.6817 -18.6817 -18.6644 -18.6644 -18.6593 -18.6593 -8.9416 -8.9416 -4.0995 -4.0995 0.0628 0.0628 0.3667 0.3667 1.7748 1.7748 2.4067 2.4067 2.6470 2.6470 3.6396 3.6396 4.2924 4.2924 4.7288 4.7288 5.7877 5.7877 6.8288 6.8288 9.3918 9.3918 10.2748 10.2748 k = 0.1986 0.3440 0.4324 ( 5714 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8562 -18.8562 -18.8514 -18.8514 -18.6877 -18.6877 -18.6817 -18.6817 -18.6643 -18.6643 -18.6594 -18.6594 -8.9442 -8.9442 -4.1032 -4.1032 0.0718 0.0718 0.3760 0.3760 1.7676 1.7676 2.3853 2.3853 2.6209 2.6209 3.6349 3.6349 4.2933 4.2933 4.7345 4.7345 5.8510 5.8510 6.8778 6.8778 9.3108 9.3108 10.2663 10.2663 k = 0.1915 0.3317 0.4324 ( 5710 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8562 -18.8562 -18.8512 -18.8512 -18.6876 -18.6876 -18.6816 -18.6816 -18.6642 -18.6642 -18.6594 -18.6594 -8.9470 -8.9470 -4.1071 -4.1071 0.0817 0.0817 0.3851 0.3851 1.7600 1.7600 2.3600 2.3600 2.5987 2.5987 3.6293 3.6293 4.2952 4.2952 4.7402 4.7402 5.9176 5.9176 6.9252 6.9252 9.2297 9.2297 10.2579 10.2579 k = 0.1844 0.3194 0.4324 ( 5708 PWs) bands (ev): -46.7979 -46.7979 -46.7968 -46.7968 -18.8562 -18.8562 -18.8510 -18.8510 -18.6874 -18.6874 -18.6815 -18.6815 -18.6640 -18.6640 -18.6594 -18.6594 -8.9498 -8.9498 -4.1112 -4.1112 0.0927 0.0927 0.3938 0.3938 1.7520 1.7520 2.3310 2.3310 2.5805 2.5805 3.6231 3.6231 4.2980 4.2980 4.7460 4.7460 5.9870 5.9870 6.9709 6.9709 9.1490 9.1490 10.2496 10.2496 k = 0.1773 0.3071 0.4324 ( 5716 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8508 -18.8508 -18.6874 -18.6874 -18.6814 -18.6814 -18.6640 -18.6640 -18.6594 -18.6594 -8.9527 -8.9527 -4.1153 -4.1153 0.1045 0.1045 0.4023 0.4023 1.7437 1.7437 2.2991 2.2991 2.5659 2.5659 3.6164 3.6164 4.3017 4.3017 4.7519 4.7519 6.0585 6.0585 7.0149 7.0149 9.0689 9.0689 10.2415 10.2415 k = 0.1702 0.2948 0.4324 ( 5714 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8506 -18.8506 -18.6873 -18.6873 -18.6812 -18.6812 -18.6639 -18.6639 -18.6594 -18.6594 -8.9556 -8.9556 -4.1196 -4.1196 0.1172 0.1172 0.4106 0.4106 1.7350 1.7350 2.2651 2.2651 2.5541 2.5541 3.6095 3.6095 4.3062 4.3062 4.7577 4.7577 6.1318 6.1318 7.0570 7.0570 8.9895 8.9895 10.2337 10.2337 k = 0.1631 0.2825 0.4324 ( 5718 PWs) bands (ev): -46.7979 -46.7979 -46.7967 -46.7967 -18.8563 -18.8563 -18.8504 -18.8504 -18.6872 -18.6872 -18.6811 -18.6811 -18.6638 -18.6638 -18.6594 -18.6594 -8.9586 -8.9586 -4.1239 -4.1239 0.1306 0.1306 0.4186 0.4186 1.7260 1.7260 2.2297 2.2297 2.5446 2.5446 3.6024 3.6024 4.3114 4.3114 4.7637 4.7637 6.2062 6.2062 7.0973 7.0973 8.9111 8.9111 10.2260 10.2260 k = 0.1560 0.2702 0.4324 ( 5722 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8503 -18.8503 -18.6871 -18.6871 -18.6809 -18.6809 -18.6638 -18.6638 -18.6593 -18.6593 -8.9616 -8.9616 -4.1283 -4.1283 0.1446 0.1446 0.4264 0.4264 1.7167 1.7167 2.1936 2.1936 2.5368 2.5368 3.5953 3.5953 4.3172 4.3172 4.7696 4.7696 6.2814 6.2814 7.1358 7.1358 8.8338 8.8338 10.2186 10.2186 k = 0.1489 0.2580 0.4324 ( 5734 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8501 -18.8501 -18.6871 -18.6871 -18.6807 -18.6807 -18.6638 -18.6638 -18.6593 -18.6593 -8.9647 -8.9647 -4.1326 -4.1326 0.1592 0.1592 0.4339 0.4339 1.7072 1.7072 2.1574 2.1574 2.5303 2.5303 3.5883 3.5883 4.3236 4.3236 4.7757 4.7757 6.3569 6.3569 7.1725 7.1725 8.7580 8.7580 10.2114 10.2114 k = 0.1418 0.2457 0.4324 ( 5736 PWs) bands (ev): -46.7980 -46.7980 -46.7967 -46.7967 -18.8563 -18.8563 -18.8499 -18.8499 -18.6870 -18.6870 -18.6805 -18.6805 -18.6638 -18.6638 -18.6593 -18.6593 -8.9677 -8.9677 -4.1370 -4.1370 0.1741 0.1741 0.4413 0.4413 1.6974 1.6974 2.1215 2.1215 2.5248 2.5248 3.5814 3.5814 4.3304 4.3304 4.7817 4.7817 6.4322 6.4322 7.2074 7.2074 8.6837 8.6837 10.2044 10.2044 k = 0.1348 0.2334 0.4324 ( 5720 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8563 -18.8563 -18.8497 -18.8497 -18.6869 -18.6869 -18.6803 -18.6803 -18.6637 -18.6637 -18.6592 -18.6592 -8.9707 -8.9707 -4.1414 -4.1414 0.1894 0.1894 0.4485 0.4485 1.6875 1.6875 2.0862 2.0862 2.5201 2.5201 3.5748 3.5748 4.3375 4.3375 4.7878 4.7878 6.5068 6.5068 7.2405 7.2405 8.6113 8.6113 10.1976 10.1976 k = 0.1277 0.2211 0.4324 ( 5716 PWs) bands (ev): -46.7980 -46.7980 -46.7966 -46.7966 -18.8562 -18.8562 -18.8495 -18.8495 -18.6868 -18.6868 -18.6800 -18.6800 -18.6637 -18.6637 -18.6591 -18.6591 -8.9737 -8.9737 -4.1457 -4.1457 0.2047 0.2047 0.4557 0.4557 1.6775 1.6775 2.0518 2.0518 2.5160 2.5160 3.5685 3.5685 4.3449 4.3449 4.7938 4.7938 6.5803 6.5803 7.2720 7.2720 8.5408 8.5408 10.1909 10.1909 k = 0.1206 0.2088 0.4324 ( 5716 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8493 -18.8493 -18.6867 -18.6867 -18.6798 -18.6798 -18.6637 -18.6637 -18.6591 -18.6591 -8.9766 -8.9766 -4.1500 -4.1500 0.2200 0.2200 0.4627 0.4627 1.6674 1.6674 2.0184 2.0184 2.5124 2.5124 3.5625 3.5625 4.3525 4.3525 4.7999 4.7999 6.6523 6.6523 7.3019 7.3019 8.4725 8.4725 10.1845 10.1845 k = 0.1135 0.1965 0.4324 ( 5724 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8492 -18.8492 -18.6867 -18.6867 -18.6796 -18.6796 -18.6638 -18.6638 -18.6591 -18.6591 -8.9795 -8.9795 -4.1542 -4.1542 0.2351 0.2351 0.4698 0.4698 1.6573 1.6573 1.9864 1.9864 2.5092 2.5092 3.5569 3.5569 4.3603 4.3603 4.8060 4.8060 6.7222 6.7222 7.3303 7.3303 8.4067 8.4067 10.1782 10.1782 k = 0.1064 0.1843 0.4324 ( 5720 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8562 -18.8562 -18.8490 -18.8490 -18.6866 -18.6866 -18.6793 -18.6793 -18.6638 -18.6638 -18.6590 -18.6590 -8.9822 -8.9822 -4.1582 -4.1582 0.2499 0.2499 0.4768 0.4768 1.6474 1.6474 1.9557 1.9557 2.5063 2.5063 3.5517 3.5517 4.3680 4.3680 4.8120 4.8120 6.7896 6.7896 7.3574 7.3574 8.3435 8.3435 10.1720 10.1720 k = 0.0993 0.1720 0.4324 ( 5720 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8561 -18.8561 -18.8488 -18.8488 -18.6866 -18.6866 -18.6791 -18.6791 -18.6639 -18.6639 -18.6589 -18.6589 -8.9849 -8.9849 -4.1621 -4.1621 0.2641 0.2641 0.4839 0.4839 1.6376 1.6376 1.9265 1.9265 2.5037 2.5037 3.5469 3.5469 4.3757 4.3757 4.8179 4.8179 6.8540 6.8540 7.3833 7.3833 8.2831 8.2831 10.1660 10.1660 k = 0.0922 0.1597 0.4324 ( 5720 PWs) bands (ev): -46.7981 -46.7981 -46.7966 -46.7966 -18.8561 -18.8561 -18.8487 -18.8487 -18.6865 -18.6865 -18.6789 -18.6789 -18.6639 -18.6639 -18.6589 -18.6589 -8.9875 -8.9875 -4.1659 -4.1659 0.2777 0.2777 0.4910 0.4910 1.6281 1.6281 1.8988 1.8988 2.5013 2.5013 3.5425 3.5425 4.3832 4.3832 4.8237 4.8237 6.9148 6.9148 7.4081 7.4081 8.2258 8.2258 10.1602 10.1602 k = 0.0851 0.1474 0.4324 ( 5708 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8560 -18.8560 -18.8485 -18.8485 -18.6864 -18.6864 -18.6786 -18.6786 -18.6639 -18.6639 -18.6588 -18.6588 -8.9899 -8.9899 -4.1695 -4.1695 0.2905 0.2905 0.4982 0.4982 1.6190 1.6190 1.8728 1.8728 2.4992 2.4992 3.5384 3.5384 4.3905 4.3905 4.8294 4.8294 6.9717 6.9717 7.4321 7.4321 8.1718 8.1718 10.1546 10.1546 k = 0.0780 0.1351 0.4324 ( 5712 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8560 -18.8560 -18.8484 -18.8484 -18.6864 -18.6864 -18.6784 -18.6784 -18.6640 -18.6640 -18.6588 -18.6588 -8.9922 -8.9922 -4.1728 -4.1728 0.3024 0.3024 0.5053 0.5053 1.6103 1.6103 1.8485 1.8485 2.4972 2.4972 3.5348 3.5348 4.3975 4.3975 4.8349 4.8349 7.0240 7.0240 7.4554 7.4554 8.1213 8.1213 10.1492 10.1492 k = 0.0709 0.1228 0.4324 ( 5696 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8482 -18.8482 -18.6863 -18.6863 -18.6782 -18.6782 -18.6640 -18.6640 -18.6587 -18.6587 -8.9944 -8.9944 -4.1760 -4.1760 0.3133 0.3133 0.5125 0.5125 1.6022 1.6022 1.8259 1.8259 2.4954 2.4954 3.5315 3.5315 4.4042 4.4042 4.8402 4.8402 7.0715 7.0715 7.4780 7.4780 8.0745 8.0745 10.1440 10.1440 k = 0.0638 0.1106 0.4324 ( 5696 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8481 -18.8481 -18.6862 -18.6862 -18.6780 -18.6780 -18.6641 -18.6641 -18.6587 -18.6587 -8.9964 -8.9964 -4.1789 -4.1789 0.3231 0.3231 0.5196 0.5196 1.5947 1.5947 1.8051 1.8051 2.4938 2.4938 3.5287 3.5287 4.4104 4.4104 4.8453 4.8453 7.1138 7.1138 7.4999 7.4999 8.0317 8.0317 10.1392 10.1392 k = 0.0567 0.0983 0.4324 ( 5700 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8480 -18.8480 -18.6862 -18.6862 -18.6778 -18.6778 -18.6641 -18.6641 -18.6586 -18.6586 -8.9982 -8.9982 -4.1816 -4.1816 0.3318 0.3318 0.5265 0.5265 1.5880 1.5880 1.7862 1.7862 2.4924 2.4924 3.5261 3.5261 4.4161 4.4161 4.8500 4.8500 7.1508 7.1508 7.5211 7.5211 7.9929 7.9929 10.1346 10.1346 k = 0.0496 0.0860 0.4324 ( 5704 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8559 -18.8559 -18.8479 -18.8479 -18.6862 -18.6862 -18.6776 -18.6776 -18.6642 -18.6642 -18.6586 -18.6586 -8.9998 -8.9998 -4.1840 -4.1840 0.3393 0.3393 0.5331 0.5331 1.5820 1.5820 1.7692 1.7692 2.4912 2.4912 3.5239 3.5239 4.4213 4.4213 4.8543 4.8543 7.1824 7.1824 7.5414 7.5414 7.9585 7.9585 10.1304 10.1304 k = 0.0426 0.0737 0.4324 ( 5700 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8478 -18.8478 -18.6861 -18.6861 -18.6775 -18.6775 -18.6643 -18.6643 -18.6585 -18.6585 -9.0012 -9.0012 -4.1860 -4.1860 0.3458 0.3458 0.5392 0.5392 1.5768 1.5768 1.7542 1.7542 2.4901 2.4901 3.5221 3.5221 4.4260 4.4260 4.8582 4.8582 7.2088 7.2088 7.5603 7.5603 7.9284 7.9284 10.1267 10.1267 k = 0.0355 0.0614 0.4324 ( 5696 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8477 -18.8477 -18.6861 -18.6861 -18.6773 -18.6773 -18.6644 -18.6644 -18.6585 -18.6585 -9.0024 -9.0024 -4.1878 -4.1878 0.3511 0.3511 0.5447 0.5447 1.5724 1.5724 1.7412 1.7412 2.4891 2.4891 3.5205 3.5205 4.4299 4.4299 4.8616 4.8616 7.2302 7.2302 7.5774 7.5774 7.9029 7.9029 10.1234 10.1234 k = 0.0284 0.0491 0.4324 ( 5696 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8477 -18.8477 -18.6861 -18.6861 -18.6772 -18.6772 -18.6644 -18.6644 -18.6585 -18.6585 -9.0034 -9.0034 -4.1893 -4.1893 0.3555 0.3555 0.5494 0.5494 1.5689 1.5689 1.7305 1.7305 2.4884 2.4884 3.5193 3.5193 4.4332 4.4332 4.8645 4.8645 7.2470 7.2470 7.5922 7.5922 7.8820 7.8820 10.1207 10.1207 k = 0.0213 0.0369 0.4324 ( 5692 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8476 -18.8476 -18.6860 -18.6860 -18.6771 -18.6771 -18.6644 -18.6644 -18.6584 -18.6584 -9.0042 -9.0042 -4.1905 -4.1905 0.3588 0.3588 0.5532 0.5532 1.5661 1.5661 1.7220 1.7220 2.4878 2.4878 3.5183 3.5183 4.4358 4.4358 4.8668 4.8668 7.2596 7.2596 7.6043 7.6043 7.8658 7.8658 10.1185 10.1185 k = 0.0142 0.0246 0.4324 ( 5684 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8476 -18.8476 -18.6860 -18.6860 -18.6770 -18.6770 -18.6645 -18.6645 -18.6584 -18.6584 -9.0048 -9.0048 -4.1913 -4.1913 0.3611 0.3611 0.5560 0.5560 1.5642 1.5642 1.7158 1.7158 2.4874 2.4874 3.5177 3.5177 4.4377 4.4377 4.8684 4.8684 7.2683 7.2683 7.6132 7.6132 7.8542 7.8542 10.1169 10.1169 k = 0.0071 0.0123 0.4324 ( 5676 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8558 -18.8558 -18.8475 -18.8475 -18.6860 -18.6860 -18.6769 -18.6769 -18.6645 -18.6645 -18.6583 -18.6583 -9.0051 -9.0051 -4.1918 -4.1918 0.3625 0.3625 0.5578 0.5578 1.5631 1.5631 1.7121 1.7121 2.4871 2.4871 3.5173 3.5173 4.4388 4.4388 4.8695 4.8695 7.2734 7.2734 7.6187 7.6187 7.8473 7.8473 10.1159 10.1159 k = 0.0000 0.0000 0.4324 ( 5666 PWs) bands (ev): -46.7982 -46.7982 -46.7965 -46.7965 -18.8557 -18.8557 -18.8475 -18.8475 -18.6860 -18.6860 -18.6769 -18.6769 -18.6644 -18.6644 -18.6583 -18.6583 -9.0052 -9.0052 -4.1920 -4.1920 0.3629 0.3629 0.5584 0.5584 1.5627 1.5627 1.7108 1.7108 2.4870 2.4870 3.5171 3.5171 4.4392 4.4392 4.8698 4.8698 7.2750 7.2750 7.6206 7.6206 7.8450 7.8450 10.1156 10.1156 k = 0.5000 0.2887 0.4324 ( 5696 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6636 -18.6636 -18.6599 -18.6599 -8.9278 -8.9278 -4.0798 -4.0798 -0.0575 -0.0575 0.4052 0.4052 1.8059 1.8059 2.3758 2.3758 3.0189 3.0189 3.7616 3.7616 4.3457 4.3457 4.7306 4.7306 4.8529 4.8529 7.0261 7.0261 9.5885 9.5885 10.3574 10.3574 k = 0.5000 0.2887 0.4185 ( 5694 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6636 -18.6636 -18.6599 -18.6599 -8.9285 -8.9285 -4.0767 -4.0767 -0.0562 -0.0562 0.4066 0.4066 1.7997 1.7997 2.3758 2.3758 3.0188 3.0188 3.7612 3.7612 4.3275 4.3275 4.7076 4.7076 4.8869 4.8869 7.0357 7.0357 9.5888 9.5888 10.3264 10.3264 k = 0.5000 0.2887 0.4045 ( 5704 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6841 -18.6841 -18.6637 -18.6637 -18.6599 -18.6599 -8.9305 -8.9305 -4.0674 -4.0674 -0.0524 -0.0524 0.4108 0.4108 1.7813 1.7813 2.3757 2.3757 3.0183 3.0183 3.7596 3.7596 4.2786 4.2786 4.6636 4.6636 4.9586 4.9586 7.0640 7.0640 9.5898 9.5898 10.2676 10.2676 k = 0.5000 0.2887 0.3906 ( 5700 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6870 -18.6870 -18.6840 -18.6840 -18.6637 -18.6637 -18.6599 -18.6599 -8.9338 -8.9338 -4.0519 -4.0519 -0.0460 -0.0460 0.4178 0.4178 1.7511 1.7511 2.3754 2.3754 3.0172 3.0172 3.7566 3.7566 4.2106 4.2106 4.6115 4.6115 5.0453 5.0453 7.1099 7.1099 9.5914 9.5914 10.2039 10.2039 k = 0.5000 0.2887 0.3766 ( 5702 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6871 -18.6871 -18.6840 -18.6840 -18.6637 -18.6637 -18.6599 -18.6599 -8.9384 -8.9384 -4.0303 -4.0303 -0.0371 -0.0371 0.4275 0.4275 1.7095 1.7095 2.3749 2.3749 3.0151 3.0151 3.7514 3.7514 4.1337 4.1337 4.5513 4.5513 5.1395 5.1395 7.1716 7.1716 9.5937 9.5937 10.1403 10.1403 k = 0.5000 0.2887 0.3627 ( 5706 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8527 -18.8527 -18.6871 -18.6871 -18.6839 -18.6839 -18.6638 -18.6638 -18.6599 -18.6599 -8.9442 -8.9442 -4.0027 -4.0027 -0.0256 -0.0256 0.4400 0.4400 1.6573 1.6573 2.3740 2.3740 3.0112 3.0112 3.7423 3.7423 4.0552 4.0552 4.4827 4.4827 5.2377 5.2377 7.2471 7.2471 9.5965 9.5965 10.0784 10.0784 k = 0.5000 0.2887 0.3487 ( 5690 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8526 -18.8526 -18.6871 -18.6871 -18.6838 -18.6838 -18.6639 -18.6639 -18.6599 -18.6599 -8.9511 -8.9511 -3.9691 -3.9691 -0.0116 -0.0116 0.4553 0.4553 1.5954 1.5954 2.3727 2.3727 3.0048 3.0048 3.7264 3.7264 3.9816 3.9816 4.4068 4.4068 5.3381 5.3381 7.3345 7.3345 9.5998 9.5998 10.0192 10.0192 k = 0.5000 0.2887 0.3348 ( 5694 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8525 -18.8525 -18.6871 -18.6871 -18.6837 -18.6837 -18.6640 -18.6640 -18.6599 -18.6599 -8.9591 -8.9591 -3.9297 -3.9297 0.0049 0.0049 0.4733 0.4733 1.5243 1.5243 2.3709 2.3709 2.9949 2.9949 3.6991 3.6991 3.9199 3.9199 4.3250 4.3250 5.4394 5.4394 7.4319 7.4319 9.6035 9.6035 9.9634 9.9634 k = 0.5000 0.2887 0.3208 ( 5710 PWs) bands (ev): -46.7976 -46.7976 -46.7969 -46.7969 -18.8560 -18.8560 -18.8525 -18.8525 -18.6872 -18.6872 -18.6836 -18.6836 -18.6641 -18.6641 -18.6599 -18.6599 -8.9679 -8.9679 -3.8847 -3.8847 0.0239 0.0239 0.4940 0.4940 1.4450 1.4450 2.3685 2.3685 2.9802 2.9802 3.6571 3.6571 3.8751 3.8751 4.2390 4.2390 5.5405 5.5405 7.5374 7.5374 9.6071 9.6071 9.9118 9.9118 k = 0.5000 0.2887 0.3069 ( 5728 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8525 -18.8525 -18.6873 -18.6873 -18.6835 -18.6835 -18.6643 -18.6643 -18.6600 -18.6600 -8.9776 -8.9776 -3.8342 -3.8342 0.0454 0.0454 0.5174 0.5174 1.3582 1.3582 2.3653 2.3653 2.9593 2.9593 3.6033 3.6033 3.8452 3.8452 4.1511 4.1511 5.6410 5.6410 7.6498 7.6498 9.6100 9.6100 9.8654 9.8654 k = 0.5000 0.2887 0.2929 ( 5722 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8524 -18.8524 -18.6873 -18.6873 -18.6834 -18.6834 -18.6644 -18.6644 -18.6600 -18.6600 -8.9880 -8.9880 -3.7783 -3.7783 0.0693 0.0693 0.5434 0.5434 1.2647 1.2647 2.3615 2.3615 2.9307 2.9307 3.5454 3.5454 3.8223 3.8223 4.0645 4.0645 5.7401 5.7401 7.7678 7.7678 9.6113 9.6113 9.8256 9.8256 k = 0.5000 0.2887 0.2790 ( 5724 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8561 -18.8561 -18.8524 -18.8524 -18.6873 -18.6873 -18.6833 -18.6833 -18.6645 -18.6645 -18.6600 -18.6600 -8.9989 -8.9989 -3.7174 -3.7174 0.0957 0.0957 0.5719 0.5719 1.1653 1.1653 2.3568 2.3568 2.8930 2.8930 3.4898 3.4898 3.7967 3.7967 3.9854 3.9854 5.8373 5.8373 7.8902 7.8902 9.6092 9.6092 9.7941 9.7941 k = 0.5000 0.2887 0.2650 ( 5722 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8523 -18.8523 -18.6874 -18.6874 -18.6831 -18.6831 -18.6646 -18.6646 -18.6600 -18.6600 -9.0103 -9.0103 -3.6514 -3.6514 0.1244 0.1244 0.6028 0.6028 1.0608 1.0608 2.3511 2.3511 2.8454 2.8454 3.4401 3.4401 3.7555 3.7555 3.9247 3.9247 5.9323 5.9323 8.0163 8.0163 9.6021 9.6021 9.7729 9.7729 k = 0.5000 0.2887 0.2511 ( 5718 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8522 -18.8522 -18.6873 -18.6873 -18.6830 -18.6830 -18.6647 -18.6647 -18.6601 -18.6601 -9.0220 -9.0220 -3.5808 -3.5808 0.1555 0.1555 0.6353 0.6353 0.9526 0.9526 2.3443 2.3443 2.7883 2.7883 3.3971 3.3971 3.6916 3.6916 3.8897 3.8897 6.0245 6.0245 8.1452 8.1452 9.5893 9.5893 9.7628 9.7628 k = 0.5000 0.2887 0.2371 ( 5718 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8522 -18.8522 -18.6873 -18.6873 -18.6829 -18.6829 -18.6648 -18.6648 -18.6601 -18.6601 -9.0339 -9.0339 -3.5056 -3.5056 0.1888 0.1888 0.6669 0.6669 0.8436 0.8436 2.3361 2.3361 2.7229 2.7229 3.3596 3.3596 3.6139 3.6139 3.8724 3.8724 6.1135 6.1135 8.2762 8.2762 9.5724 9.5724 9.7624 9.7624 k = 0.5000 0.2887 0.2232 ( 5718 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8521 -18.8521 -18.6874 -18.6874 -18.6828 -18.6828 -18.6649 -18.6649 -18.6601 -18.6601 -9.0459 -9.0459 -3.4262 -3.4262 0.2242 0.2242 0.6722 0.6722 0.7601 0.7601 2.3261 2.3261 2.6510 2.6510 3.3243 3.3243 3.5343 3.5343 3.8635 3.8635 6.1989 6.1989 8.4089 8.4089 9.5538 9.5538 9.7693 9.7693 k = 0.5000 0.2887 0.2092 ( 5722 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8520 -18.8520 -18.6874 -18.6874 -18.6827 -18.6827 -18.6650 -18.6650 -18.6602 -18.6602 -9.0577 -9.0577 -3.3428 -3.3428 0.2616 0.2616 0.5825 0.5825 0.7713 0.7713 2.3137 2.3137 2.5749 2.5749 3.2851 3.2851 3.4624 3.4624 3.8586 3.8586 6.2803 6.2803 8.5426 8.5426 9.5357 9.5357 9.7813 9.7813 k = 0.5000 0.2887 0.1953 ( 5724 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8520 -18.8520 -18.6874 -18.6874 -18.6826 -18.6826 -18.6651 -18.6651 -18.6602 -18.6602 -9.0694 -9.0694 -3.2557 -3.2557 0.3001 0.3001 0.4655 0.4655 0.8110 0.8110 2.2977 2.2977 2.4970 2.4970 3.2343 3.2343 3.4071 3.4071 3.8556 3.8556 6.3574 6.3574 8.6767 8.6767 9.5194 9.5194 9.7972 9.7972 k = 0.5000 0.2887 0.1813 ( 5720 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8562 -18.8562 -18.8519 -18.8519 -18.6874 -18.6874 -18.6825 -18.6825 -18.6652 -18.6652 -18.6603 -18.6603 -9.0808 -9.0808 -3.1652 -3.1652 0.3193 0.3193 0.3646 0.3646 0.8563 0.8563 2.2756 2.2756 2.4207 2.4207 3.1697 3.1697 3.3711 3.3711 3.8538 3.8538 6.4298 6.4298 8.8109 8.8109 9.5058 9.5058 9.8160 9.8160 k = 0.5000 0.2887 0.1674 ( 5718 PWs) bands (ev): -46.7977 -46.7977 -46.7969 -46.7969 -18.8563 -18.8563 -18.8518 -18.8518 -18.6873 -18.6873 -18.6824 -18.6824 -18.6653 -18.6653 -18.6603 -18.6603 -9.0918 -9.0918 -3.0716 -3.0716 0.2100 0.2100 0.3918 0.3918 0.9051 0.9051 2.2420 2.2420 2.3521 2.3521 3.0974 3.0974 3.3488 3.3488 3.8527 3.8527 6.4973 6.4973 8.9444 8.9444 9.4952 9.4952 9.8374 9.8374 k = 0.5000 0.2887 0.1534 ( 5712 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8562 -18.8562 -18.8517 -18.8517 -18.6873 -18.6873 -18.6824 -18.6824 -18.6653 -18.6653 -18.6604 -18.6604 -9.1022 -9.1022 -2.9754 -2.9754 0.0843 0.0843 0.4359 0.4359 0.9565 0.9565 2.1894 2.1894 2.2987 2.2987 3.0240 3.0240 3.3344 3.3344 3.8520 3.8520 6.5595 6.5595 9.0763 9.0763 9.4883 9.4883 9.8608 9.8608 k = 0.5000 0.2887 0.1395 ( 5716 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8563 -18.8563 -18.8517 -18.8517 -18.6873 -18.6873 -18.6823 -18.6823 -18.6654 -18.6654 -18.6604 -18.6604 -9.1121 -9.1121 -2.8770 -2.8770 -0.0425 -0.0425 0.4825 0.4825 1.0103 1.0103 2.1206 2.1206 2.2577 2.2577 2.9535 2.9535 3.3243 3.3243 3.8516 3.8516 6.6164 6.6164 9.2047 9.2047 9.4864 9.4864 9.8862 9.8862 k = 0.5000 0.2887 0.1255 ( 5716 PWs) bands (ev): -46.7977 -46.7977 -46.7968 -46.7968 -18.8563 -18.8563 -18.8516 -18.8516 -18.6872 -18.6872 -18.6823 -18.6823 -18.6654 -18.6654 -18.6605 -18.6605 -9.1213 -9.1213 -2.7770 -2.7770 -0.1689 -0.1689 0.5305 0.5305 1.0664 1.0664 2.0453 2.0453 2.2194 2.2194 2.8885 2.8885 3.3170 3.3170 3.8514 3.8514 6.6678 6.6678 9.3234 9.3234 9.4949 9.4949 9.9131 9.9131 k = 0.5000 0.2887 0.1116 ( 5724 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8516 -18.8516 -18.6872 -18.6872 -18.6823 -18.6823 -18.6654 -18.6654 -18.6606 -18.6606 -9.1297 -9.1297 -2.6762 -2.6762 -0.2939 -0.2939 0.5794 0.5794 1.1244 1.1244 1.9690 1.9690 2.1782 2.1782 2.8308 2.8308 3.3116 3.3116 3.8513 3.8513 6.7135 6.7135 9.4075 9.4075 9.5377 9.5377 9.9415 9.9415 k = 0.5000 0.2887 0.0976 ( 5724 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8516 -18.8516 -18.6872 -18.6872 -18.6823 -18.6823 -18.6655 -18.6655 -18.6606 -18.6606 -9.1373 -9.1373 -2.5755 -2.5755 -0.4163 -0.4163 0.6286 0.6286 1.1842 1.1842 1.8943 1.8943 2.1321 2.1321 2.7812 2.7812 3.3074 3.3074 3.8512 3.8512 6.7537 6.7537 9.4369 9.4369 9.6337 9.6337 9.9714 9.9714 k = 0.5000 0.2887 0.0837 ( 5728 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8516 -18.8516 -18.6872 -18.6872 -18.6823 -18.6823 -18.6655 -18.6655 -18.6607 -18.6607 -9.1440 -9.1440 -2.4762 -2.4762 -0.5346 -0.5346 0.6775 0.6775 1.2454 1.2454 1.8232 1.8232 2.0805 2.0805 2.7401 2.7401 3.3041 3.3041 3.8512 3.8512 6.7883 6.7883 9.4458 9.4458 9.7464 9.7464 10.0040 10.0040 k = 0.5000 0.2887 0.0697 ( 5736 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8515 -18.8515 -18.6872 -18.6872 -18.6823 -18.6823 -18.6655 -18.6655 -18.6607 -18.6607 -9.1498 -9.1498 -2.3803 -2.3803 -0.6468 -0.6468 0.7249 0.7249 1.3073 1.3073 1.7573 1.7573 2.0239 2.0239 2.7072 2.7072 3.3016 3.3016 3.8512 3.8512 6.8174 6.8174 9.4499 9.4499 9.8544 9.8544 10.0430 10.0430 k = 0.5000 0.2887 0.0558 ( 5728 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8515 -18.8515 -18.6872 -18.6872 -18.6822 -18.6822 -18.6655 -18.6655 -18.6607 -18.6607 -9.1546 -9.1546 -2.2903 -2.2903 -0.7502 -0.7502 0.7694 0.7694 1.3687 1.3687 1.6994 1.6994 1.9633 1.9633 2.6819 2.6819 3.2997 3.2997 3.8513 3.8513 6.8410 6.8410 9.4525 9.4525 9.9417 9.9417 10.0999 10.0999 k = 0.5000 0.2887 0.0418 ( 5722 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6871 -18.6871 -18.6822 -18.6822 -18.6655 -18.6655 -18.6607 -18.6607 -9.1583 -9.1583 -2.2102 -2.2102 -0.8408 -0.8408 0.8090 0.8090 1.4267 1.4267 1.6538 1.6538 1.9003 1.9003 2.6633 2.6633 3.2984 3.2984 3.8513 3.8513 6.8592 6.8592 9.4545 9.4545 9.9952 9.9952 10.1856 10.1856 k = 0.5000 0.2887 0.0279 ( 5726 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6871 -18.6871 -18.6822 -18.6822 -18.6655 -18.6655 -18.6608 -18.6608 -9.1610 -9.1610 -2.1454 -2.1454 -0.9132 -0.9132 0.8408 0.8408 1.4735 1.4735 1.6295 1.6295 1.8373 1.8373 2.6506 2.6506 3.2974 3.2974 3.8513 3.8513 6.8722 6.8722 9.4558 9.4558 10.0235 10.0235 10.2897 10.2897 k = 0.5000 0.2887 0.0139 ( 5710 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8514 -18.8514 -18.6871 -18.6871 -18.6822 -18.6822 -18.6655 -18.6655 -18.6607 -18.6607 -9.1627 -9.1627 -2.1023 -2.1023 -0.9608 -0.9608 0.8618 0.8618 1.4967 1.4967 1.6380 1.6380 1.7792 1.7792 2.6432 2.6432 3.2969 3.2969 3.8514 3.8514 6.8799 6.8799 9.4567 9.4567 10.0379 10.0379 10.3996 10.3996 k = 0.5000 0.2887-0.0000 ( 5704 PWs) bands (ev): -46.7978 -46.7978 -46.7968 -46.7968 -18.8563 -18.8563 -18.8513 -18.8513 -18.6871 -18.6871 -18.6821 -18.6821 -18.6655 -18.6655 -18.6607 -18.6607 -9.1632 -9.1632 -2.0871 -2.0871 -0.9775 -0.9775 0.8692 0.8692 1.5008 1.5008 1.6560 1.6560 1.7479 1.7479 2.6408 2.6408 3.2967 3.2967 3.8514 3.8514 6.8825 6.8825 9.4570 9.4570 10.0424 10.0424 10.4982 10.4982 k = 0.3333 0.5774-0.0000 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8532 -18.8532 -18.6880 -18.6880 -18.6816 -18.6816 -18.6653 -18.6653 -18.6617 -18.6617 -9.1527 -9.1527 -2.0804 -2.0804 -0.9567 -0.9567 1.1294 1.1294 1.1741 1.1741 1.5164 1.5164 1.7644 1.7644 2.8602 2.8602 3.4681 3.4681 3.6185 3.6185 7.6868 7.6868 7.8728 7.8728 9.9374 9.9374 10.1730 10.1730 k = 0.3333 0.5774 0.0139 ( 5718 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8532 -18.8532 -18.6881 -18.6881 -18.6817 -18.6817 -18.6653 -18.6653 -18.6617 -18.6617 -9.1521 -9.1521 -2.0954 -2.0954 -0.9401 -0.9401 1.1156 1.1156 1.1660 1.1660 1.5322 1.5322 1.7733 1.7733 2.8617 2.8617 3.4680 3.4680 3.6188 3.6188 7.6834 7.6834 7.8703 7.8703 9.9346 9.9346 10.1686 10.1686 k = 0.3333 0.5774 0.0279 ( 5718 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8532 -18.8532 -18.6881 -18.6881 -18.6817 -18.6817 -18.6653 -18.6653 -18.6617 -18.6617 -9.1505 -9.1505 -2.1380 -2.1380 -0.8930 -0.8930 1.0794 1.0794 1.1430 1.1430 1.5743 1.5743 1.7987 1.7987 2.8662 2.8662 3.4676 3.4676 3.6196 3.6196 7.6733 7.6733 7.8630 7.8630 9.9265 9.9265 10.1556 10.1556 k = 0.3333 0.5774 0.0418 ( 5712 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8532 -18.8532 -18.6881 -18.6881 -18.6816 -18.6816 -18.6653 -18.6653 -18.6616 -18.6616 -9.1478 -9.1478 -2.2022 -2.2022 -0.8211 -0.8211 1.0303 1.0303 1.1085 1.1085 1.6332 1.6332 1.8368 1.8368 2.8740 2.8740 3.4669 3.4669 3.6210 3.6210 7.6563 7.6563 7.8506 7.8506 9.9139 9.9139 10.1352 10.1352 k = 0.3333 0.5774 0.0558 ( 5724 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8533 -18.8533 -18.6881 -18.6881 -18.6816 -18.6816 -18.6654 -18.6654 -18.6616 -18.6616 -9.1441 -9.1441 -2.2817 -2.2817 -0.7310 -0.7310 0.9750 0.9750 1.0662 1.0662 1.7021 1.7021 1.8839 1.8839 2.8852 2.8852 3.4659 3.4659 3.6230 3.6230 7.6325 7.6325 7.8329 7.8329 9.8978 9.8978 10.1086 10.1086 k = 0.3333 0.5774 0.0697 ( 5724 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8533 -18.8533 -18.6882 -18.6882 -18.6816 -18.6816 -18.6654 -18.6654 -18.6615 -18.6615 -9.1393 -9.1393 -2.3711 -2.3711 -0.6280 -0.6280 0.9171 0.9171 1.0191 1.0191 1.7773 1.7773 1.9365 1.9365 2.9002 2.9002 3.4648 3.4648 3.6256 3.6256 7.6018 7.6018 7.8098 7.8098 9.8794 9.8794 10.0777 10.0777 k = 0.3333 0.5774 0.0837 ( 5739 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8534 -18.8534 -18.6883 -18.6883 -18.6817 -18.6817 -18.6655 -18.6655 -18.6615 -18.6615 -9.1336 -9.1336 -2.4665 -2.4665 -0.5160 -0.5160 0.8587 0.8587 0.9692 0.9692 1.8568 1.8568 1.9920 1.9920 2.9196 2.9196 3.4633 3.4633 3.6287 3.6287 7.5642 7.5642 7.7809 7.7809 9.8602 9.8602 10.0443 10.0443 k = 0.3333 0.5774 0.0976 ( 5739 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8534 -18.8534 -18.6883 -18.6883 -18.6816 -18.6816 -18.6656 -18.6656 -18.6614 -18.6614 -9.1269 -9.1269 -2.5654 -2.5654 -0.3979 -0.3979 0.8008 0.8008 0.9181 0.9181 1.9394 1.9394 2.0483 2.0483 2.9440 2.9440 3.4617 3.4617 3.6325 3.6325 7.5196 7.5196 7.7460 7.7460 9.8414 9.8414 10.0101 10.0101 k = 0.3333 0.5774 0.1116 ( 5751 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8535 -18.8535 -18.6884 -18.6884 -18.6817 -18.6817 -18.6656 -18.6656 -18.6613 -18.6613 -9.1193 -9.1193 -2.6657 -2.6657 -0.2756 -0.2756 0.7441 0.7441 0.8667 0.8667 2.0242 2.0242 2.1037 2.1037 2.9739 2.9739 3.4600 3.4600 3.6370 3.6370 7.4682 7.4682 7.7048 7.7048 9.8243 9.8243 9.9770 9.9770 k = 0.3333 0.5774 0.1255 ( 5751 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8535 -18.8535 -18.6885 -18.6885 -18.6816 -18.6816 -18.6657 -18.6657 -18.6612 -18.6612 -9.1109 -9.1109 -2.7663 -2.7663 -0.1506 -0.1506 0.6890 0.6890 0.8157 0.8157 2.1106 2.1106 2.1567 2.1567 3.0101 3.0101 3.4581 3.4581 3.6422 3.6422 7.4102 7.4102 7.6572 7.6572 9.8098 9.8098 9.9462 9.9462 k = 0.3333 0.5774 0.1395 ( 5733 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8535 -18.8535 -18.6885 -18.6885 -18.6815 -18.6815 -18.6657 -18.6657 -18.6611 -18.6611 -9.1018 -9.1018 -2.8659 -2.8659 -0.0241 -0.0241 0.6359 0.6359 0.7657 0.7657 2.1982 2.1982 2.2064 2.2064 3.0531 3.0531 3.4561 3.4561 3.6483 3.6483 7.3457 7.3457 7.6029 7.6029 9.7988 9.7988 9.9189 9.9189 k = 0.3333 0.5774 0.1534 ( 5727 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8535 -18.8535 -18.6886 -18.6886 -18.6815 -18.6815 -18.6658 -18.6658 -18.6609 -18.6609 -9.0919 -9.0919 -2.9641 -2.9641 0.1028 0.1028 0.5852 0.5852 0.7169 0.7169 2.2517 2.2517 2.2865 2.2865 3.1033 3.1033 3.4541 3.4541 3.6553 3.6553 7.2751 7.2751 7.5421 7.5421 9.7917 9.7917 9.8962 9.8962 k = 0.3333 0.5774 0.1674 ( 5727 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8551 -18.8551 -18.8536 -18.8536 -18.6886 -18.6886 -18.6815 -18.6815 -18.6658 -18.6658 -18.6608 -18.6608 -9.0815 -9.0815 -3.0601 -3.0601 0.2288 0.2288 0.5376 0.5376 0.6697 0.6697 2.2923 2.2923 2.3748 2.3748 3.1608 3.1608 3.4522 3.4522 3.6634 3.6634 7.1989 7.1989 7.4748 7.4748 9.7891 9.7891 9.8787 9.8787 k = 0.3333 0.5774 0.1813 ( 5709 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8536 -18.8536 -18.6887 -18.6887 -18.6814 -18.6814 -18.6658 -18.6658 -18.6606 -18.6606 -9.0706 -9.0706 -3.1534 -3.1534 0.3496 0.3496 0.4967 0.4967 0.6243 0.6243 2.3281 2.3281 2.4626 2.4626 3.2254 3.2254 3.4504 3.4504 3.6730 3.6730 7.1175 7.1175 7.4014 7.4014 9.7911 9.7911 9.8669 9.8669 k = 0.3333 0.5774 0.1953 ( 5709 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8536 -18.8536 -18.6887 -18.6887 -18.6814 -18.6814 -18.6659 -18.6659 -18.6604 -18.6604 -9.0592 -9.0592 -3.2437 -3.2437 0.4177 0.4177 0.5097 0.5097 0.5809 0.5809 2.3590 2.3590 2.5492 2.5492 3.2968 3.2968 3.4490 3.4490 3.6842 3.6842 7.0314 7.0314 7.3221 7.3221 9.7979 9.7979 9.8609 9.8609 k = 0.3333 0.5774 0.2092 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8537 -18.8537 -18.6888 -18.6888 -18.6813 -18.6813 -18.6660 -18.6660 -18.6603 -18.6603 -9.0476 -9.0476 -3.3307 -3.3307 0.3905 0.3905 0.5394 0.5394 0.6184 0.6184 2.3856 2.3856 2.6337 2.6337 3.3743 3.3743 3.4481 3.4481 3.6975 3.6975 6.9412 6.9412 7.2374 7.2374 9.8094 9.8094 9.8610 9.8610 k = 0.3333 0.5774 0.2232 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8537 -18.8537 -18.6889 -18.6889 -18.6813 -18.6813 -18.6660 -18.6660 -18.6601 -18.6601 -9.0358 -9.0358 -3.4139 -3.4139 0.3532 0.3532 0.5002 0.5002 0.7372 0.7372 2.4083 2.4083 2.7150 2.7150 3.4480 3.4480 3.4572 3.4572 3.7136 3.7136 6.8476 6.8476 7.1478 7.1478 9.8255 9.8255 9.8669 9.8669 k = 0.3333 0.5774 0.2371 ( 5709 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8538 -18.8538 -18.6890 -18.6890 -18.6812 -18.6812 -18.6661 -18.6661 -18.6600 -18.6600 -9.0239 -9.0239 -3.4932 -3.4932 0.3167 0.3167 0.4632 0.4632 0.8549 0.8549 2.4275 2.4275 2.7919 2.7919 3.4489 3.4489 3.5446 3.5446 3.7330 3.7330 6.7512 6.7512 7.0541 7.0541 9.8462 9.8462 9.8786 9.8786 k = 0.3333 0.5774 0.2511 ( 5712 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8538 -18.8538 -18.6891 -18.6891 -18.6812 -18.6812 -18.6662 -18.6662 -18.6599 -18.6599 -9.0121 -9.0121 -3.5682 -3.5682 0.2820 0.2820 0.4285 0.4285 0.9695 0.9695 2.4439 2.4439 2.8628 2.8628 3.4511 3.4511 3.6359 3.6359 3.7567 3.7567 6.6527 6.6527 6.9568 6.9568 9.8711 9.8711 9.8958 9.8958 k = 0.3333 0.5774 0.2650 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8539 -18.8539 -18.6891 -18.6891 -18.6812 -18.6812 -18.6663 -18.6663 -18.6597 -18.6597 -9.0004 -9.0004 -3.6387 -3.6387 0.2496 0.2496 0.3963 0.3963 1.0802 1.0802 2.4577 2.4577 2.9262 2.9262 3.4548 3.4548 3.7302 3.7302 3.7856 3.7856 6.5526 6.5526 6.8567 6.8567 9.9001 9.9001 9.9181 9.9181 k = 0.3333 0.5774 0.2790 ( 5694 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8539 -18.8539 -18.6891 -18.6891 -18.6811 -18.6811 -18.6663 -18.6663 -18.6596 -18.6596 -8.9891 -8.9891 -3.7045 -3.7045 0.2197 0.2197 0.3664 0.3664 1.1863 1.1863 2.4694 2.4694 2.9807 2.9807 3.4602 3.4602 3.8206 3.8206 3.8268 3.8268 6.4518 6.4518 6.7544 6.7544 9.9329 9.9329 9.9452 9.9452 k = 0.3333 0.5774 0.2929 ( 5694 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8539 -18.8539 -18.6892 -18.6892 -18.6811 -18.6811 -18.6664 -18.6664 -18.6594 -18.6594 -8.9782 -8.9782 -3.7654 -3.7654 0.1922 0.1922 0.3390 0.3390 1.2871 1.2871 2.4794 2.4794 3.0253 3.0253 3.4672 3.4672 3.8624 3.8624 3.9248 3.9248 6.3510 6.3510 6.6508 6.6508 9.9691 9.9691 9.9767 9.9767 k = 0.3333 0.5774 0.3069 ( 5700 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8540 -18.8540 -18.6893 -18.6893 -18.6811 -18.6811 -18.6664 -18.6664 -18.6593 -18.6593 -8.9678 -8.9678 -3.8212 -3.8212 0.1673 0.1673 0.3142 0.3142 1.3818 1.3818 2.4878 2.4878 3.0599 3.0599 3.4753 3.4753 3.9110 3.9110 4.0235 4.0235 6.2511 6.2511 6.5469 6.5469 10.0084 10.0084 10.0121 10.0121 k = 0.3333 0.5774 0.3208 ( 5688 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8540 -18.8540 -18.6893 -18.6893 -18.6810 -18.6810 -18.6665 -18.6665 -18.6592 -18.6592 -8.9582 -8.9582 -3.8716 -3.8716 0.1449 0.1449 0.2919 0.2919 1.4697 1.4697 2.4949 2.4949 3.0851 3.0851 3.4840 3.4840 3.9656 3.9656 4.1218 4.1218 6.1532 6.1532 6.4435 6.4435 10.0505 10.0505 10.0510 10.0510 k = 0.3333 0.5774 0.3348 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8541 -18.8541 -18.6894 -18.6894 -18.6810 -18.6810 -18.6665 -18.6665 -18.6591 -18.6591 -8.9494 -8.9494 -3.9165 -3.9165 0.1251 0.1251 0.2721 0.2721 1.5501 1.5501 2.5008 2.5008 3.1023 3.1023 3.4925 3.4925 4.0247 4.0247 4.2186 4.2186 6.0583 6.0583 6.3420 6.3420 10.0927 10.0927 10.0947 10.0947 k = 0.3333 0.5774 0.3487 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8541 -18.8541 -18.6894 -18.6894 -18.6810 -18.6810 -18.6666 -18.6666 -18.6591 -18.6591 -8.9414 -8.9414 -3.9558 -3.9558 0.1080 0.1080 0.2550 0.2550 1.6221 1.6221 2.5057 2.5057 3.1131 3.1131 3.5005 3.5005 4.0862 4.0862 4.3124 4.3124 5.9680 5.9680 6.2440 6.2440 10.1364 10.1364 10.1405 10.1405 k = 0.3333 0.5774 0.3627 ( 5694 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8541 -18.8541 -18.6894 -18.6894 -18.6810 -18.6810 -18.6666 -18.6666 -18.6590 -18.6590 -8.9346 -8.9346 -3.9893 -3.9893 0.0934 0.0934 0.2404 0.2404 1.6849 1.6849 2.5097 2.5097 3.1192 3.1192 3.5074 3.5074 4.1474 4.1474 4.4014 4.4014 5.8842 5.8842 6.1513 6.1513 10.1811 10.1811 10.1869 10.1869 k = 0.3333 0.5774 0.3766 ( 5700 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8541 -18.8541 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6589 -18.6589 -8.9288 -8.9288 -4.0169 -4.0169 0.0815 0.0815 0.2285 0.2285 1.7378 1.7378 2.5129 2.5129 3.1220 3.1220 3.5131 3.5131 4.2051 4.2051 4.4829 4.4829 5.8091 5.8091 6.0667 6.0667 10.2254 10.2254 10.2325 10.2325 k = 0.3333 0.5774 0.3906 ( 5697 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8541 -18.8541 -18.6895 -18.6895 -18.6809 -18.6809 -18.6667 -18.6667 -18.6589 -18.6589 -8.9242 -8.9242 -4.0385 -4.0385 0.0722 0.0722 0.2192 0.2192 1.7798 1.7798 2.5153 2.5153 3.1229 3.1229 3.5175 3.5175 4.2559 4.2559 4.5536 4.5536 5.7454 5.7454 5.9935 5.9935 10.2670 10.2670 10.2752 10.2752 k = 0.3333 0.5774 0.4045 ( 5703 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8549 -18.8549 -18.8542 -18.8542 -18.6895 -18.6895 -18.6809 -18.6809 -18.6667 -18.6667 -18.6588 -18.6588 -8.9209 -8.9209 -4.0539 -4.0539 0.0656 0.0656 0.2126 0.2126 1.8105 1.8105 2.5170 2.5170 3.1227 3.1227 3.5207 3.5207 4.2960 4.2960 4.6092 4.6092 5.6966 5.6966 5.9361 5.9361 10.3024 10.3024 10.3117 10.3117 k = 0.3333 0.5774 0.4185 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9189 -8.9189 -4.0632 -4.0632 0.0616 0.0616 0.2086 0.2086 1.8291 1.8291 2.5180 2.5180 3.1223 3.1223 3.5226 3.5226 4.3219 4.3219 4.6452 4.6452 5.6655 5.6655 5.8990 5.8990 10.3271 10.3271 10.3372 10.3372 k = 0.3333 0.5774 0.4324 ( 5706 PWs) bands (ev): -46.7973 -46.7973 -46.7973 -46.7973 -18.8550 -18.8550 -18.8542 -18.8542 -18.6895 -18.6895 -18.6810 -18.6810 -18.6667 -18.6667 -18.6588 -18.6588 -8.9182 -8.9182 -4.0663 -4.0663 0.0603 0.0603 0.2073 0.2073 1.8354 1.8354 2.5183 2.5183 3.1222 3.1222 3.5232 3.5232 4.3309 4.3309 4.6577 4.6577 5.6549 5.6549 5.8861 5.8861 10.3361 10.3361 10.3465 10.3465 Writing output data file Na2PtC2.save init_run : 0.43s CPU 0.86s WALL ( 1 calls) electrons : 129.90s CPU 133.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 129.90s CPU 133.31s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 326 calls) cegterg : 118.77s CPU 120.27s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 75.07s CPU 76.02s WALL ( 6198 calls) s_psi : 2.32s CPU 2.23s WALL ( 6198 calls) g_psi : 0.28s CPU 0.24s WALL ( 5496 calls) cdiaghg : 35.78s CPU 36.56s WALL ( 5822 calls) cegterg:over : 5.28s CPU 5.37s WALL ( 5496 calls) cegterg:upda : 4.96s CPU 5.00s WALL ( 5496 calls) cegterg:last : 2.41s CPU 2.35s WALL ( 1028 calls) cdiaghg:chol : 2.08s CPU 2.08s WALL ( 5822 calls) cdiaghg:inve : 1.26s CPU 1.25s WALL ( 5822 calls) cdiaghg:para : 2.11s CPU 2.09s WALL ( 11644 calls) Called by h_psi: h_psi:vloc : 68.72s CPU 69.83s WALL ( 6198 calls) h_psi:vnl : 6.12s CPU 5.95s WALL ( 6198 calls) add_vuspsi : 2.85s CPU 2.72s WALL ( 6198 calls) General routines calbec : 3.25s CPU 3.22s WALL ( 6198 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.38s CPU 65.45s WALL ( 623480 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.24s WALL ( 652 calls) Parallel routines fft_scatter : 20.86s CPU 21.55s WALL ( 623503 calls) PWSCF : 2m26.26s CPU 3m 4.15s WALL This run was terminated on: 16:23:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=