Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:20:12 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: ./Na2PdC2.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 74 36 10 3662 1244 192 Max 75 37 11 3667 1270 197 Sum 2677 1303 379 131893 45213 6981 bravais-lattice index = 14 lattice parameter (alat) = 8.4357 a.u. unit-cell volume = 613.3930 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.435737 celldm(2)= 1.000000 celldm(3)= 1.179884 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 1.179884 ) 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 0.847541 ) 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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) Pd 18.00 106.42000 Pd( 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= 323 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0030960 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0030960 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0030960 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0030960 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0030960 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0030960 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0030960 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0030960 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0030960 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0030960 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0030960 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0030960 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0030960 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0030960 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0030960 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0030960 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0030960 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0030960 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0030960 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0030960 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0030960 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0030960 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0030960 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0030960 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0030960 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0030960 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0030960 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0030960 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0030960 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0030960 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0030960 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0030960 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0030960 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0030960 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0030960 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0030960 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0030960 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0030960 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0030960 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0030960 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0030960 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0030960 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0030960 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0030960 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0030960 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0030960 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0030960 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030960 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0030960 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0030960 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0030960 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030960 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0030960 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0030960 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0030960 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030960 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0030960 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0030960 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0030960 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0030960 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0030960 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0030960 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0030960 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0030960 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0030960 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0030960 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0030960 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0030960 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0030960 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0030960 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0030960 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0030960 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0030960 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0030960 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0030960 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0030960 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0030960 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0030960 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0030960 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0030960 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0030960 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0030960 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0030960 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0030960 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0030960 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0030960 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0030960 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0030960 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0030960 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0030960 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0030960 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0030960 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0030960 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0030960 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0030960 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0030960 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0030960 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0030960 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0030960 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0030960 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0030960 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0030960 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0030960 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0030960 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0030960 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 117) = ( 0.0000000 0.0000000 0.0141257), wk = 0.0030960 k( 118) = ( 0.0000000 0.0000000 0.0282514), wk = 0.0030960 k( 119) = ( 0.0000000 0.0000000 0.0423771), wk = 0.0030960 k( 120) = ( 0.0000000 0.0000000 0.0565028), wk = 0.0030960 k( 121) = ( 0.0000000 0.0000000 0.0706284), wk = 0.0030960 k( 122) = ( 0.0000000 0.0000000 0.0847541), wk = 0.0030960 k( 123) = ( 0.0000000 0.0000000 0.0988798), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.1130055), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.1271312), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.1412569), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.1553826), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.1695083), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.1836340), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.1977596), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.2118853), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.2260110), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.2401367), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.2542624), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.2683881), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.2825138), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.2966395), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.3107651), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.3248908), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.3390165), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.3531422), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.3672679), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.3813936), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.3955193), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4096450), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.4237706), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.4237706), wk = 0.0030960 k( 148) = ( 0.0121951 0.0070409 0.4237706), wk = 0.0030960 k( 149) = ( 0.0243902 0.0140817 0.4237706), wk = 0.0030960 k( 150) = ( 0.0365854 0.0211226 0.4237706), wk = 0.0030960 k( 151) = ( 0.0487805 0.0281634 0.4237706), wk = 0.0030960 k( 152) = ( 0.0609756 0.0352043 0.4237706), wk = 0.0030960 k( 153) = ( 0.0731707 0.0422451 0.4237706), wk = 0.0030960 k( 154) = ( 0.0853658 0.0492860 0.4237706), wk = 0.0030960 k( 155) = ( 0.0975610 0.0563269 0.4237706), wk = 0.0030960 k( 156) = ( 0.1097561 0.0633677 0.4237706), wk = 0.0030960 k( 157) = ( 0.1219512 0.0704086 0.4237706), wk = 0.0030960 k( 158) = ( 0.1341463 0.0774494 0.4237706), wk = 0.0030960 k( 159) = ( 0.1463415 0.0844903 0.4237706), wk = 0.0030960 k( 160) = ( 0.1585366 0.0915311 0.4237706), wk = 0.0030960 k( 161) = ( 0.1707317 0.0985720 0.4237706), wk = 0.0030960 k( 162) = ( 0.1829268 0.1056129 0.4237706), wk = 0.0030960 k( 163) = ( 0.1951219 0.1126537 0.4237706), wk = 0.0030960 k( 164) = ( 0.2073171 0.1196946 0.4237706), wk = 0.0030960 k( 165) = ( 0.2195122 0.1267354 0.4237706), wk = 0.0030960 k( 166) = ( 0.2317073 0.1337763 0.4237706), wk = 0.0030960 k( 167) = ( 0.2439024 0.1408171 0.4237706), wk = 0.0030960 k( 168) = ( 0.2560976 0.1478580 0.4237706), wk = 0.0030960 k( 169) = ( 0.2682927 0.1548989 0.4237706), wk = 0.0030960 k( 170) = ( 0.2804878 0.1619397 0.4237706), wk = 0.0030960 k( 171) = ( 0.2926829 0.1689806 0.4237706), wk = 0.0030960 k( 172) = ( 0.3048781 0.1760214 0.4237706), wk = 0.0030960 k( 173) = ( 0.3170732 0.1830623 0.4237706), wk = 0.0030960 k( 174) = ( 0.3292683 0.1901031 0.4237706), wk = 0.0030960 k( 175) = ( 0.3414634 0.1971440 0.4237706), wk = 0.0030960 k( 176) = ( 0.3536585 0.2041849 0.4237706), wk = 0.0030960 k( 177) = ( 0.3658537 0.2112257 0.4237706), wk = 0.0030960 k( 178) = ( 0.3780488 0.2182666 0.4237706), wk = 0.0030960 k( 179) = ( 0.3902439 0.2253074 0.4237706), wk = 0.0030960 k( 180) = ( 0.4024390 0.2323483 0.4237706), wk = 0.0030960 k( 181) = ( 0.4146341 0.2393891 0.4237706), wk = 0.0030960 k( 182) = ( 0.4268293 0.2464300 0.4237706), wk = 0.0030960 k( 183) = ( 0.4390244 0.2534708 0.4237706), wk = 0.0030960 k( 184) = ( 0.4512195 0.2605117 0.4237706), wk = 0.0030960 k( 185) = ( 0.4634146 0.2675526 0.4237706), wk = 0.0030960 k( 186) = ( 0.4756098 0.2745934 0.4237706), wk = 0.0030960 k( 187) = ( 0.4878049 0.2816343 0.4237706), wk = 0.0030960 k( 188) = ( 0.5000000 0.2886751 0.4237706), wk = 0.0030960 k( 189) = ( 0.5000000 0.2886751 0.4237706), wk = 0.0030960 k( 190) = ( 0.4930556 0.3007033 0.4237706), wk = 0.0030960 k( 191) = ( 0.4861111 0.3127314 0.4237706), wk = 0.0030960 k( 192) = ( 0.4791667 0.3247595 0.4237706), wk = 0.0030960 k( 193) = ( 0.4722222 0.3367877 0.4237706), wk = 0.0030960 k( 194) = ( 0.4652778 0.3488158 0.4237706), wk = 0.0030960 k( 195) = ( 0.4583333 0.3608439 0.4237706), wk = 0.0030960 k( 196) = ( 0.4513889 0.3728720 0.4237706), wk = 0.0030960 k( 197) = ( 0.4444444 0.3849002 0.4237706), wk = 0.0030960 k( 198) = ( 0.4375000 0.3969283 0.4237706), wk = 0.0030960 k( 199) = ( 0.4305556 0.4089564 0.4237706), wk = 0.0030960 k( 200) = ( 0.4236111 0.4209846 0.4237706), wk = 0.0030960 k( 201) = ( 0.4166667 0.4330127 0.4237706), wk = 0.0030960 k( 202) = ( 0.4097222 0.4450408 0.4237706), wk = 0.0030960 k( 203) = ( 0.4027778 0.4570690 0.4237706), wk = 0.0030960 k( 204) = ( 0.3958333 0.4690971 0.4237706), wk = 0.0030960 k( 205) = ( 0.3888889 0.4811252 0.4237706), wk = 0.0030960 k( 206) = ( 0.3819444 0.4931534 0.4237706), wk = 0.0030960 k( 207) = ( 0.3750000 0.5051815 0.4237706), wk = 0.0030960 k( 208) = ( 0.3680556 0.5172096 0.4237706), wk = 0.0030960 k( 209) = ( 0.3611111 0.5292377 0.4237706), wk = 0.0030960 k( 210) = ( 0.3541667 0.5412659 0.4237706), wk = 0.0030960 k( 211) = ( 0.3472222 0.5532940 0.4237706), wk = 0.0030960 k( 212) = ( 0.3402778 0.5653221 0.4237706), wk = 0.0030960 k( 213) = ( 0.3333333 0.5773503 0.4237706), wk = 0.0030960 k( 214) = ( 0.3333333 0.5773503 0.4237706), wk = 0.0030960 k( 215) = ( 0.3262411 0.5650662 0.4237706), wk = 0.0030960 k( 216) = ( 0.3191489 0.5527822 0.4237706), wk = 0.0030960 k( 217) = ( 0.3120567 0.5404981 0.4237706), wk = 0.0030960 k( 218) = ( 0.3049645 0.5282141 0.4237706), wk = 0.0030960 k( 219) = ( 0.2978723 0.5159300 0.4237706), wk = 0.0030960 k( 220) = ( 0.2907801 0.5036460 0.4237706), wk = 0.0030960 k( 221) = ( 0.2836879 0.4913619 0.4237706), wk = 0.0030960 k( 222) = ( 0.2765957 0.4790779 0.4237706), wk = 0.0030960 k( 223) = ( 0.2695035 0.4667938 0.4237706), wk = 0.0030960 k( 224) = ( 0.2624113 0.4545098 0.4237706), wk = 0.0030960 k( 225) = ( 0.2553191 0.4422257 0.4237706), wk = 0.0030960 k( 226) = ( 0.2482270 0.4299417 0.4237706), wk = 0.0030960 k( 227) = ( 0.2411348 0.4176576 0.4237706), wk = 0.0030960 k( 228) = ( 0.2340425 0.4053736 0.4237706), wk = 0.0030960 k( 229) = ( 0.2269503 0.3930895 0.4237706), wk = 0.0030960 k( 230) = ( 0.2198582 0.3808055 0.4237706), wk = 0.0030960 k( 231) = ( 0.2127660 0.3685215 0.4237706), wk = 0.0030960 k( 232) = ( 0.2056738 0.3562374 0.4237706), wk = 0.0030960 k( 233) = ( 0.1985816 0.3439534 0.4237706), wk = 0.0030960 k( 234) = ( 0.1914894 0.3316693 0.4237706), wk = 0.0030960 k( 235) = ( 0.1843972 0.3193852 0.4237706), wk = 0.0030960 k( 236) = ( 0.1773050 0.3071012 0.4237706), wk = 0.0030960 k( 237) = ( 0.1702128 0.2948172 0.4237706), wk = 0.0030960 k( 238) = ( 0.1631206 0.2825331 0.4237706), wk = 0.0030960 k( 239) = ( 0.1560284 0.2702491 0.4237706), wk = 0.0030960 k( 240) = ( 0.1489362 0.2579650 0.4237706), wk = 0.0030960 k( 241) = ( 0.1418440 0.2456810 0.4237706), wk = 0.0030960 k( 242) = ( 0.1347518 0.2333969 0.4237706), wk = 0.0030960 k( 243) = ( 0.1276596 0.2211129 0.4237706), wk = 0.0030960 k( 244) = ( 0.1205674 0.2088288 0.4237706), wk = 0.0030960 k( 245) = ( 0.1134752 0.1965448 0.4237706), wk = 0.0030960 k( 246) = ( 0.1063830 0.1842607 0.4237706), wk = 0.0030960 k( 247) = ( 0.0992908 0.1719767 0.4237706), wk = 0.0030960 k( 248) = ( 0.0921986 0.1596926 0.4237706), wk = 0.0030960 k( 249) = ( 0.0851064 0.1474086 0.4237706), wk = 0.0030960 k( 250) = ( 0.0780142 0.1351245 0.4237706), wk = 0.0030960 k( 251) = ( 0.0709220 0.1228405 0.4237706), wk = 0.0030960 k( 252) = ( 0.0638298 0.1105564 0.4237706), wk = 0.0030960 k( 253) = ( 0.0567376 0.0982724 0.4237706), wk = 0.0030960 k( 254) = ( 0.0496454 0.0859883 0.4237706), wk = 0.0030960 k( 255) = ( 0.0425532 0.0737043 0.4237706), wk = 0.0030960 k( 256) = ( 0.0354610 0.0614202 0.4237706), wk = 0.0030960 k( 257) = ( 0.0283688 0.0491362 0.4237706), wk = 0.0030960 k( 258) = ( 0.0212766 0.0368522 0.4237706), wk = 0.0030960 k( 259) = ( 0.0141844 0.0245681 0.4237706), wk = 0.0030960 k( 260) = ( 0.0070922 0.0122841 0.4237706), wk = 0.0030960 k( 261) = ( 0.0000000 0.0000000 0.4237706), wk = 0.0030960 k( 262) = ( 0.5000000 0.2886751 0.4237706), wk = 0.0030960 k( 263) = ( 0.5000000 0.2886751 0.4096450), wk = 0.0030960 k( 264) = ( 0.5000000 0.2886751 0.3955193), wk = 0.0030960 k( 265) = ( 0.5000000 0.2886751 0.3813936), wk = 0.0030960 k( 266) = ( 0.5000000 0.2886751 0.3672679), wk = 0.0030960 k( 267) = ( 0.5000000 0.2886751 0.3531422), wk = 0.0030960 k( 268) = ( 0.5000000 0.2886751 0.3390165), wk = 0.0030960 k( 269) = ( 0.5000000 0.2886751 0.3248908), wk = 0.0030960 k( 270) = ( 0.5000000 0.2886751 0.3107651), wk = 0.0030960 k( 271) = ( 0.5000000 0.2886751 0.2966395), wk = 0.0030960 k( 272) = ( 0.5000000 0.2886751 0.2825138), wk = 0.0030960 k( 273) = ( 0.5000000 0.2886751 0.2683881), wk = 0.0030960 k( 274) = ( 0.5000000 0.2886751 0.2542624), wk = 0.0030960 k( 275) = ( 0.5000000 0.2886751 0.2401367), wk = 0.0030960 k( 276) = ( 0.5000000 0.2886751 0.2260110), wk = 0.0030960 k( 277) = ( 0.5000000 0.2886751 0.2118853), wk = 0.0030960 k( 278) = ( 0.5000000 0.2886751 0.1977596), wk = 0.0030960 k( 279) = ( 0.5000000 0.2886751 0.1836340), wk = 0.0030960 k( 280) = ( 0.5000000 0.2886751 0.1695083), wk = 0.0030960 k( 281) = ( 0.5000000 0.2886751 0.1553826), wk = 0.0030960 k( 282) = ( 0.5000000 0.2886751 0.1412569), wk = 0.0030960 k( 283) = ( 0.5000000 0.2886751 0.1271312), wk = 0.0030960 k( 284) = ( 0.5000000 0.2886751 0.1130055), wk = 0.0030960 k( 285) = ( 0.5000000 0.2886751 0.0988798), wk = 0.0030960 k( 286) = ( 0.5000000 0.2886751 0.0847541), wk = 0.0030960 k( 287) = ( 0.5000000 0.2886751 0.0706284), wk = 0.0030960 k( 288) = ( 0.5000000 0.2886751 0.0565028), wk = 0.0030960 k( 289) = ( 0.5000000 0.2886751 0.0423771), wk = 0.0030960 k( 290) = ( 0.5000000 0.2886751 0.0282514), wk = 0.0030960 k( 291) = ( 0.5000000 0.2886751 0.0141257), wk = 0.0030960 k( 292) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030960 k( 293) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030960 k( 294) = ( 0.3333333 0.5773503 0.0141257), wk = 0.0030960 k( 295) = ( 0.3333333 0.5773503 0.0282514), wk = 0.0030960 k( 296) = ( 0.3333333 0.5773503 0.0423771), wk = 0.0030960 k( 297) = ( 0.3333333 0.5773503 0.0565028), wk = 0.0030960 k( 298) = ( 0.3333333 0.5773503 0.0706284), wk = 0.0030960 k( 299) = ( 0.3333333 0.5773503 0.0847541), wk = 0.0030960 k( 300) = ( 0.3333333 0.5773503 0.0988798), wk = 0.0030960 k( 301) = ( 0.3333333 0.5773503 0.1130055), wk = 0.0030960 k( 302) = ( 0.3333333 0.5773503 0.1271312), wk = 0.0030960 k( 303) = ( 0.3333333 0.5773503 0.1412569), wk = 0.0030960 k( 304) = ( 0.3333333 0.5773503 0.1553826), wk = 0.0030960 k( 305) = ( 0.3333333 0.5773503 0.1695083), wk = 0.0030960 k( 306) = ( 0.3333333 0.5773503 0.1836340), wk = 0.0030960 k( 307) = ( 0.3333333 0.5773503 0.1977596), wk = 0.0030960 k( 308) = ( 0.3333333 0.5773503 0.2118853), wk = 0.0030960 k( 309) = ( 0.3333333 0.5773503 0.2260110), wk = 0.0030960 k( 310) = ( 0.3333333 0.5773503 0.2401367), wk = 0.0030960 k( 311) = ( 0.3333333 0.5773503 0.2542624), wk = 0.0030960 k( 312) = ( 0.3333333 0.5773503 0.2683881), wk = 0.0030960 k( 313) = ( 0.3333333 0.5773503 0.2825138), wk = 0.0030960 k( 314) = ( 0.3333333 0.5773503 0.2966395), wk = 0.0030960 k( 315) = ( 0.3333333 0.5773503 0.3107651), wk = 0.0030960 k( 316) = ( 0.3333333 0.5773503 0.3248908), wk = 0.0030960 k( 317) = ( 0.3333333 0.5773503 0.3390165), wk = 0.0030960 k( 318) = ( 0.3333333 0.5773503 0.3531422), wk = 0.0030960 k( 319) = ( 0.3333333 0.5773503 0.3672679), wk = 0.0030960 k( 320) = ( 0.3333333 0.5773503 0.3813936), wk = 0.0030960 k( 321) = ( 0.3333333 0.5773503 0.3955193), wk = 0.0030960 k( 322) = ( 0.3333333 0.5773503 0.4096450), wk = 0.0030960 k( 323) = ( 0.3333333 0.5773503 0.4237706), wk = 0.0030960 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0030960 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0030960 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0030960 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0030960 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0030960 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0030960 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0030960 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0030960 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0030960 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0030960 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0030960 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0030960 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0030960 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0030960 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0030960 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0030960 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0030960 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0030960 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0030960 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0030960 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0030960 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0030960 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0030960 k( 25) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0030960 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0030960 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0030960 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0030960 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0030960 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0030960 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0030960 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0030960 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0030960 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0030960 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0030960 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0030960 k( 37) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0030960 k( 38) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0030960 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0030960 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0030960 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0030960 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0030960 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0030960 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0030960 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0030960 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0030960 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0030960 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0030960 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0030960 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0030960 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0030960 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0030960 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030960 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0030960 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0030960 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0030960 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0030960 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0030960 k( 61) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0030960 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0030960 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0030960 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0030960 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0030960 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0030960 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030960 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030960 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0030960 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0030960 k( 71) = ( 0.3120567 0.3120567 0.0000000), wk = 0.0030960 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0030960 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0030960 k( 74) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0030960 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0030960 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0030960 k( 77) = ( 0.2695035 0.2695036 0.0000000), wk = 0.0030960 k( 78) = ( 0.2624113 0.2624114 0.0000000), wk = 0.0030960 k( 79) = ( 0.2553191 0.2553192 0.0000000), wk = 0.0030960 k( 80) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0030960 k( 81) = ( 0.2411348 0.2411348 0.0000000), wk = 0.0030960 k( 82) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0030960 k( 83) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0030960 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0030960 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0030960 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0030960 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0030960 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0030960 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0030960 k( 90) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0030960 k( 91) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0030960 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0030960 k( 93) = ( 0.1560284 0.1560284 0.0000000), wk = 0.0030960 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0030960 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0030960 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0030960 k( 97) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0030960 k( 98) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0030960 k( 99) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0030960 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0030960 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0030960 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0030960 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0030960 k( 104) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0030960 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0030960 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0030960 k( 107) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0030960 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0030960 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0030960 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0030960 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0030960 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0030960 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0030960 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0030960 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030960 k( 117) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0030960 k( 118) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0030960 k( 119) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0030960 k( 120) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0030960 k( 121) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030960 k( 122) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030960 k( 123) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0030960 k( 124) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0030960 k( 125) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0030960 k( 126) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030960 k( 127) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0030960 k( 128) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030960 k( 129) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0030960 k( 130) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0030960 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030960 k( 132) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0030960 k( 133) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0030960 k( 134) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030960 k( 135) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0030960 k( 136) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030960 k( 137) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0030960 k( 138) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0030960 k( 139) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0030960 k( 140) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030960 k( 141) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030960 k( 142) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0030960 k( 143) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0030960 k( 144) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0030960 k( 145) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0030960 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 148) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0030960 k( 149) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0030960 k( 150) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0030960 k( 151) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0030960 k( 152) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0030960 k( 153) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0030960 k( 154) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0030960 k( 155) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0030960 k( 156) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0030960 k( 157) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0030960 k( 158) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0030960 k( 159) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0030960 k( 160) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0030960 k( 161) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0030960 k( 162) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0030960 k( 163) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0030960 k( 164) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0030960 k( 165) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0030960 k( 166) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0030960 k( 167) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0030960 k( 168) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0030960 k( 169) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0030960 k( 170) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0030960 k( 171) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0030960 k( 172) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0030960 k( 173) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0030960 k( 174) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0030960 k( 175) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0030960 k( 176) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0030960 k( 177) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0030960 k( 178) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0030960 k( 179) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0030960 k( 180) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0030960 k( 181) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0030960 k( 182) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0030960 k( 183) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0030960 k( 184) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0030960 k( 185) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0030960 k( 186) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0030960 k( 187) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0030960 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 190) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0030960 k( 191) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0030960 k( 192) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0030960 k( 193) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0030960 k( 194) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0030960 k( 195) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0030960 k( 196) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0030960 k( 197) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030960 k( 198) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0030960 k( 199) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0030960 k( 200) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0030960 k( 201) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030960 k( 202) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0030960 k( 203) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0030960 k( 204) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0030960 k( 205) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030960 k( 206) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0030960 k( 207) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0030960 k( 208) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0030960 k( 209) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0030960 k( 210) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0030960 k( 211) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0030960 k( 212) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0030960 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 k( 215) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0030960 k( 216) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0030960 k( 217) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0030960 k( 218) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0030960 k( 219) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0030960 k( 220) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0030960 k( 221) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0030960 k( 222) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0030960 k( 223) = ( 0.2695035 0.2695036 0.5000000), wk = 0.0030960 k( 224) = ( 0.2624113 0.2624114 0.5000000), wk = 0.0030960 k( 225) = ( 0.2553191 0.2553192 0.5000000), wk = 0.0030960 k( 226) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0030960 k( 227) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0030960 k( 228) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0030960 k( 229) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0030960 k( 230) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0030960 k( 231) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0030960 k( 232) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0030960 k( 233) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0030960 k( 234) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0030960 k( 235) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0030960 k( 236) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0030960 k( 237) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0030960 k( 238) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0030960 k( 239) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0030960 k( 240) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0030960 k( 241) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0030960 k( 242) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0030960 k( 243) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0030960 k( 244) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0030960 k( 245) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0030960 k( 246) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0030960 k( 247) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0030960 k( 248) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0030960 k( 249) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0030960 k( 250) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0030960 k( 251) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0030960 k( 252) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0030960 k( 253) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0030960 k( 254) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0030960 k( 255) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0030960 k( 256) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0030960 k( 257) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0030960 k( 258) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0030960 k( 259) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0030960 k( 260) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0030960 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030960 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030960 k( 263) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0030960 k( 264) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0030960 k( 265) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0030960 k( 266) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0030960 k( 267) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030960 k( 268) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0030960 k( 269) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0030960 k( 270) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0030960 k( 271) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0030960 k( 272) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030960 k( 273) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0030960 k( 274) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0030960 k( 275) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0030960 k( 276) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0030960 k( 277) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030960 k( 278) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0030960 k( 279) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0030960 k( 280) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0030960 k( 281) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0030960 k( 282) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030960 k( 283) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0030960 k( 284) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0030960 k( 285) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0030960 k( 286) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0030960 k( 287) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030960 k( 288) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0030960 k( 289) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0030960 k( 290) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0030960 k( 291) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0030960 k( 292) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030960 k( 293) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030960 k( 294) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0030960 k( 295) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0030960 k( 296) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0030960 k( 297) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0030960 k( 298) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030960 k( 299) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0030960 k( 300) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0030960 k( 301) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0030960 k( 302) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0030960 k( 303) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030960 k( 304) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0030960 k( 305) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0030960 k( 306) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0030960 k( 307) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0030960 k( 308) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030960 k( 309) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0030960 k( 310) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0030960 k( 311) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0030960 k( 312) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0030960 k( 313) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030960 k( 314) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0030960 k( 315) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0030960 k( 316) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0030960 k( 317) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0030960 k( 318) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030960 k( 319) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0030960 k( 320) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0030960 k( 321) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0030960 k( 322) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0030960 k( 323) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030960 Dense grid: 131893 G-vectors FFT dimensions: ( 64, 64, 75) Smooth grid: 45213 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 338, 52) NL pseudopotentials 0.23 Mb ( 169, 90) Each V/rho on FFT grid 0.19 Mb ( 12288) Each G-vector array 0.03 Mb ( 3664) G-vector shells 0.01 Mb ( 1682) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 338, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.14 Mb ( 90, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Na2PdC2.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.3 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 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.5 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.4 secs Computing kpt #: 31 total cpu time spent up to now is 16.8 secs Computing kpt #: 32 total cpu time spent up to now is 17.3 secs Computing kpt #: 33 total cpu time spent up to now is 17.7 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.8 secs Computing kpt #: 39 total cpu time spent up to now is 20.3 secs Computing kpt #: 40 total cpu time spent up to now is 20.7 secs Computing kpt #: 41 total cpu time spent up to now is 21.1 secs Computing kpt #: 42 total cpu time spent up to now is 21.5 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 22.3 secs Computing kpt #: 45 total cpu time spent up to now is 22.8 secs Computing kpt #: 46 total cpu time spent up to now is 23.2 secs Computing kpt #: 47 total cpu time spent up to now is 23.6 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.5 secs Computing kpt #: 50 total cpu time spent up to now is 24.9 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.1 secs Computing kpt #: 54 total cpu time spent up to now is 26.5 secs Computing kpt #: 55 total cpu time spent up to now is 26.9 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 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 28.6 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.4 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 30.5 secs Computing kpt #: 65 total cpu time spent up to now is 30.9 secs Computing kpt #: 66 total cpu time spent up to now is 31.3 secs Computing kpt #: 67 total cpu time spent up to now is 31.7 secs Computing kpt #: 68 total cpu time spent up to now is 32.1 secs Computing kpt #: 69 total cpu time spent up to now is 32.5 secs Computing kpt #: 70 total cpu time spent up to now is 32.8 secs Computing kpt #: 71 total cpu time spent up to now is 33.2 secs Computing kpt #: 72 total cpu time spent up to now is 33.6 secs Computing kpt #: 73 total cpu time spent up to now is 34.0 secs Computing kpt #: 74 total cpu time spent up to now is 34.4 secs Computing kpt #: 75 total cpu time spent up to now is 34.8 secs Computing kpt #: 76 total cpu time spent up to now is 35.2 secs Computing kpt #: 77 total cpu time spent up to now is 35.6 secs Computing kpt #: 78 total cpu time spent up to now is 36.1 secs Computing kpt #: 79 total cpu time spent up to now is 36.5 secs Computing kpt #: 80 total cpu time spent up to now is 36.9 secs Computing kpt #: 81 total cpu time spent up to now is 37.3 secs Computing kpt #: 82 total cpu time spent up to now is 37.8 secs Computing kpt #: 83 total cpu time spent up to now is 38.2 secs Computing kpt #: 84 total cpu time spent up to now is 38.7 secs Computing kpt #: 85 total cpu time spent up to now is 39.1 secs Computing kpt #: 86 total cpu time spent up to now is 39.6 secs Computing kpt #: 87 total cpu time spent up to now is 40.0 secs Computing kpt #: 88 total cpu time spent up to now is 40.5 secs Computing kpt #: 89 total cpu time spent up to now is 41.0 secs Computing kpt #: 90 total cpu time spent up to now is 41.4 secs Computing kpt #: 91 total cpu time spent up to now is 41.9 secs Computing kpt #: 92 total cpu time spent up to now is 42.4 secs Computing kpt #: 93 total cpu time spent up to now is 42.8 secs Computing kpt #: 94 total cpu time spent up to now is 43.3 secs Computing kpt #: 95 total cpu time spent up to now is 43.8 secs Computing kpt #: 96 total cpu time spent up to now is 44.2 secs Computing kpt #: 97 total cpu time spent up to now is 44.7 secs Computing kpt #: 98 total cpu time spent up to now is 45.1 secs Computing kpt #: 99 total cpu time spent up to now is 45.5 secs Computing kpt #: 100 total cpu time spent up to now is 46.0 secs Computing kpt #: 101 total cpu time spent up to now is 46.4 secs Computing kpt #: 102 total cpu time spent up to now is 46.8 secs Computing kpt #: 103 total cpu time spent up to now is 47.2 secs Computing kpt #: 104 total cpu time spent up to now is 47.6 secs Computing kpt #: 105 total cpu time spent up to now is 48.0 secs Computing kpt #: 106 total cpu time spent up to now is 48.4 secs Computing kpt #: 107 total cpu time spent up to now is 48.8 secs Computing kpt #: 108 total cpu time spent up to now is 49.3 secs Computing kpt #: 109 total cpu time spent up to now is 49.7 secs Computing kpt #: 110 total cpu time spent up to now is 50.1 secs Computing kpt #: 111 total cpu time spent up to now is 50.6 secs Computing kpt #: 112 total cpu time spent up to now is 51.0 secs Computing kpt #: 113 total cpu time spent up to now is 51.4 secs Computing kpt #: 114 total cpu time spent up to now is 51.8 secs Computing kpt #: 115 total cpu time spent up to now is 52.2 secs Computing kpt #: 116 total cpu time spent up to now is 52.6 secs Computing kpt #: 117 total cpu time spent up to now is 53.0 secs Computing kpt #: 118 total cpu time spent up to now is 53.4 secs Computing kpt #: 119 total cpu time spent up to now is 53.8 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 54.6 secs Computing kpt #: 122 total cpu time spent up to now is 55.0 secs Computing kpt #: 123 total cpu time spent up to now is 55.4 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 58.4 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 59.5 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 61.7 secs Computing kpt #: 141 total cpu time spent up to now is 62.1 secs Computing kpt #: 142 total cpu time spent up to now is 62.4 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 63.1 secs Computing kpt #: 145 total cpu time spent up to now is 63.4 secs Computing kpt #: 146 total cpu time spent up to now is 63.8 secs Computing kpt #: 147 total cpu time spent up to now is 64.1 secs Computing kpt #: 148 total cpu time spent up to now is 64.5 secs Computing kpt #: 149 total cpu time spent up to now is 64.8 secs Computing kpt #: 150 total cpu time spent up to now is 65.2 secs Computing kpt #: 151 total cpu time spent up to now is 65.5 secs Computing kpt #: 152 total cpu time spent up to now is 65.9 secs Computing kpt #: 153 total cpu time spent up to now is 66.3 secs Computing kpt #: 154 total cpu time spent up to now is 66.6 secs Computing kpt #: 155 total cpu time spent up to now is 67.0 secs Computing kpt #: 156 total cpu time spent up to now is 67.3 secs Computing kpt #: 157 total cpu time spent up to now is 67.7 secs Computing kpt #: 158 total cpu time spent up to now is 68.1 secs Computing kpt #: 159 total cpu time spent up to now is 68.4 secs Computing kpt #: 160 total cpu time spent up to now is 68.8 secs Computing kpt #: 161 total cpu time spent up to now is 69.2 secs Computing kpt #: 162 total cpu time spent up to now is 69.6 secs Computing kpt #: 163 total cpu time spent up to now is 69.9 secs Computing kpt #: 164 total cpu time spent up to now is 70.3 secs Computing kpt #: 165 total cpu time spent up to now is 70.7 secs Computing kpt #: 166 total cpu time spent up to now is 71.1 secs Computing kpt #: 167 total cpu time spent up to now is 71.5 secs Computing kpt #: 168 total cpu time spent up to now is 71.8 secs Computing kpt #: 169 total cpu time spent up to now is 72.2 secs Computing kpt #: 170 total cpu time spent up to now is 72.6 secs Computing kpt #: 171 total cpu time spent up to now is 73.0 secs Computing kpt #: 172 total cpu time spent up to now is 73.4 secs Computing kpt #: 173 total cpu time spent up to now is 73.9 secs Computing kpt #: 174 total cpu time spent up to now is 74.3 secs Computing kpt #: 175 total cpu time spent up to now is 74.7 secs Computing kpt #: 176 total cpu time spent up to now is 75.1 secs Computing kpt #: 177 total cpu time spent up to now is 75.5 secs Computing kpt #: 178 total cpu time spent up to now is 75.9 secs Computing kpt #: 179 total cpu time spent up to now is 76.3 secs Computing kpt #: 180 total cpu time spent up to now is 76.7 secs Computing kpt #: 181 total cpu time spent up to now is 77.1 secs Computing kpt #: 182 total cpu time spent up to now is 77.5 secs Computing kpt #: 183 total cpu time spent up to now is 78.0 secs Computing kpt #: 184 total cpu time spent up to now is 78.4 secs Computing kpt #: 185 total cpu time spent up to now is 78.8 secs Computing kpt #: 186 total cpu time spent up to now is 79.2 secs Computing kpt #: 187 total cpu time spent up to now is 79.7 secs Computing kpt #: 188 total cpu time spent up to now is 80.1 secs Computing kpt #: 189 total cpu time spent up to now is 80.5 secs Computing kpt #: 190 total cpu time spent up to now is 81.0 secs Computing kpt #: 191 total cpu time spent up to now is 81.4 secs Computing kpt #: 192 total cpu time spent up to now is 81.8 secs Computing kpt #: 193 total cpu time spent up to now is 82.3 secs Computing kpt #: 194 total cpu time spent up to now is 82.7 secs Computing kpt #: 195 total cpu time spent up to now is 83.1 secs Computing kpt #: 196 total cpu time spent up to now is 83.6 secs Computing kpt #: 197 total cpu time spent up to now is 84.0 secs Computing kpt #: 198 total cpu time spent up to now is 84.5 secs Computing kpt #: 199 total cpu time spent up to now is 84.9 secs Computing kpt #: 200 total cpu time spent up to now is 85.3 secs Computing kpt #: 201 total cpu time spent up to now is 85.8 secs Computing kpt #: 202 total cpu time spent up to now is 86.2 secs Computing kpt #: 203 total cpu time spent up to now is 86.7 secs Computing kpt #: 204 total cpu time spent up to now is 87.1 secs Computing kpt #: 205 total cpu time spent up to now is 87.5 secs Computing kpt #: 206 total cpu time spent up to now is 88.0 secs Computing kpt #: 207 total cpu time spent up to now is 88.4 secs Computing kpt #: 208 total cpu time spent up to now is 88.8 secs Computing kpt #: 209 total cpu time spent up to now is 89.3 secs Computing kpt #: 210 total cpu time spent up to now is 89.7 secs Computing kpt #: 211 total cpu time spent up to now is 90.1 secs Computing kpt #: 212 total cpu time spent up to now is 90.5 secs Computing kpt #: 213 total cpu time spent up to now is 90.9 secs Computing kpt #: 214 total cpu time spent up to now is 91.3 secs Computing kpt #: 215 total cpu time spent up to now is 91.8 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 92.6 secs Computing kpt #: 218 total cpu time spent up to now is 93.0 secs Computing kpt #: 219 total cpu time spent up to now is 93.5 secs Computing kpt #: 220 total cpu time spent up to now is 93.9 secs Computing kpt #: 221 total cpu time spent up to now is 94.3 secs Computing kpt #: 222 total cpu time spent up to now is 94.8 secs Computing kpt #: 223 total cpu time spent up to now is 95.2 secs Computing kpt #: 224 total cpu time spent up to now is 95.7 secs Computing kpt #: 225 total cpu time spent up to now is 96.1 secs Computing kpt #: 226 total cpu time spent up to now is 96.5 secs Computing kpt #: 227 total cpu time spent up to now is 96.9 secs Computing kpt #: 228 total cpu time spent up to now is 97.4 secs Computing kpt #: 229 total cpu time spent up to now is 97.8 secs Computing kpt #: 230 total cpu time spent up to now is 98.2 secs Computing kpt #: 231 total cpu time spent up to now is 98.6 secs Computing kpt #: 232 total cpu time spent up to now is 99.0 secs Computing kpt #: 233 total cpu time spent up to now is 99.4 secs Computing kpt #: 234 total cpu time spent up to now is 99.8 secs Computing kpt #: 235 total cpu time spent up to now is 100.2 secs Computing kpt #: 236 total cpu time spent up to now is 100.6 secs Computing kpt #: 237 total cpu time spent up to now is 101.0 secs Computing kpt #: 238 total cpu time spent up to now is 101.4 secs Computing kpt #: 239 total cpu time spent up to now is 101.7 secs Computing kpt #: 240 total cpu time spent up to now is 102.1 secs Computing kpt #: 241 total cpu time spent up to now is 102.5 secs Computing kpt #: 242 total cpu time spent up to now is 102.9 secs Computing kpt #: 243 total cpu time spent up to now is 103.3 secs Computing kpt #: 244 total cpu time spent up to now is 103.6 secs Computing kpt #: 245 total cpu time spent up to now is 104.0 secs Computing kpt #: 246 total cpu time spent up to now is 104.4 secs Computing kpt #: 247 total cpu time spent up to now is 104.8 secs Computing kpt #: 248 total cpu time spent up to now is 105.1 secs Computing kpt #: 249 total cpu time spent up to now is 105.5 secs Computing kpt #: 250 total cpu time spent up to now is 105.9 secs Computing kpt #: 251 total cpu time spent up to now is 106.2 secs Computing kpt #: 252 total cpu time spent up to now is 106.6 secs Computing kpt #: 253 total cpu time spent up to now is 106.9 secs Computing kpt #: 254 total cpu time spent up to now is 107.3 secs Computing kpt #: 255 total cpu time spent up to now is 107.7 secs Computing kpt #: 256 total cpu time spent up to now is 108.0 secs Computing kpt #: 257 total cpu time spent up to now is 108.4 secs Computing kpt #: 258 total cpu time spent up to now is 108.8 secs Computing kpt #: 259 total cpu time spent up to now is 109.1 secs Computing kpt #: 260 total cpu time spent up to now is 109.5 secs Computing kpt #: 261 total cpu time spent up to now is 109.8 secs Computing kpt #: 262 total cpu time spent up to now is 110.3 secs Computing kpt #: 263 total cpu time spent up to now is 110.7 secs Computing kpt #: 264 total cpu time spent up to now is 111.1 secs Computing kpt #: 265 total cpu time spent up to now is 111.5 secs Computing kpt #: 266 total cpu time spent up to now is 112.0 secs Computing kpt #: 267 total cpu time spent up to now is 112.4 secs Computing kpt #: 268 total cpu time spent up to now is 112.9 secs Computing kpt #: 269 total cpu time spent up to now is 113.3 secs Computing kpt #: 270 total cpu time spent up to now is 113.8 secs Computing kpt #: 271 total cpu time spent up to now is 114.2 secs Computing kpt #: 272 total cpu time spent up to now is 114.6 secs Computing kpt #: 273 total cpu time spent up to now is 115.1 secs Computing kpt #: 274 total cpu time spent up to now is 115.5 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 116.8 secs Computing kpt #: 278 total cpu time spent up to now is 117.2 secs Computing kpt #: 279 total cpu time spent up to now is 117.6 secs Computing kpt #: 280 total cpu time spent up to now is 118.1 secs Computing kpt #: 281 total cpu time spent up to now is 118.5 secs Computing kpt #: 282 total cpu time spent up to now is 118.9 secs Computing kpt #: 283 total cpu time spent up to now is 119.4 secs Computing kpt #: 284 total cpu time spent up to now is 119.8 secs Computing kpt #: 285 total cpu time spent up to now is 120.2 secs Computing kpt #: 286 total cpu time spent up to now is 120.7 secs Computing kpt #: 287 total cpu time spent up to now is 121.1 secs Computing kpt #: 288 total cpu time spent up to now is 121.5 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 123.6 secs Computing kpt #: 294 total cpu time spent up to now is 124.0 secs Computing kpt #: 295 total cpu time spent up to now is 124.4 secs Computing kpt #: 296 total cpu time spent up to now is 124.8 secs Computing kpt #: 297 total cpu time spent up to now is 125.2 secs Computing kpt #: 298 total cpu time spent up to now is 125.6 secs Computing kpt #: 299 total cpu time spent up to now is 125.9 secs Computing kpt #: 300 total cpu time spent up to now is 126.3 secs Computing kpt #: 301 total cpu time spent up to now is 126.7 secs Computing kpt #: 302 total cpu time spent up to now is 127.1 secs Computing kpt #: 303 total cpu time spent up to now is 127.5 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 128.6 secs Computing kpt #: 307 total cpu time spent up to now is 129.0 secs Computing kpt #: 308 total cpu time spent up to now is 129.4 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 133.1 secs Computing kpt #: 318 total cpu time spent up to now is 133.5 secs Computing kpt #: 319 total cpu time spent up to now is 133.9 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 134.8 secs Computing kpt #: 322 total cpu time spent up to now is 135.2 secs Computing kpt #: 323 total cpu time spent up to now is 135.6 secs ethr = 2.27E-08, avg # of iterations = 14.7 total cpu time spent up to now is 135.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5593 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5025 -18.5025 -18.3571 -18.3571 -18.3310 -18.3310 -18.3292 -18.3292 -18.3143 -18.3143 -8.9236 -8.9236 -0.4844 -0.4844 -0.1345 -0.1345 2.1774 2.1774 2.1923 2.1923 2.6243 2.6243 2.9273 2.9273 2.9494 2.9494 3.4484 3.4484 3.7326 3.7326 9.0373 9.0373 10.6717 10.6717 10.9794 10.9794 11.0077 11.0077 k = 0.0122 0.0070-0.0000 ( 5603 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3572 -18.3572 -18.3311 -18.3311 -18.3291 -18.3291 -18.3143 -18.3143 -8.9234 -8.9234 -0.4844 -0.4844 -0.1343 -0.1343 2.1754 2.1754 2.1906 2.1906 2.6273 2.6273 2.9279 2.9279 2.9493 2.9493 3.4484 3.4484 3.7327 3.7327 9.0396 9.0396 10.6675 10.6675 10.9761 10.9761 11.0050 11.0050 k = 0.0244 0.0141-0.0000 ( 5601 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3572 -18.3572 -18.3312 -18.3312 -18.3290 -18.3290 -18.3143 -18.3143 -8.9231 -8.9231 -0.4840 -0.4840 -0.1334 -0.1334 2.1678 2.1678 2.1874 2.1874 2.6362 2.6362 2.9297 2.9297 2.9489 2.9489 3.4486 3.4486 3.7330 3.7330 9.0463 9.0463 10.6550 10.6550 10.9643 10.9643 10.9993 10.9993 k = 0.0366 0.0211-0.0000 ( 5613 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5027 -18.5027 -18.3572 -18.3572 -18.3314 -18.3314 -18.3289 -18.3289 -18.3144 -18.3144 -8.9225 -8.9225 -0.4833 -0.4833 -0.1321 -0.1321 2.1532 2.1532 2.1847 2.1847 2.6499 2.6499 2.9328 2.9328 2.9484 2.9484 3.4489 3.4489 3.7336 3.7336 9.0573 9.0573 10.6343 10.6343 10.9416 10.9416 10.9942 10.9942 k = 0.0488 0.0282-0.0000 ( 5613 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5028 -18.5028 -18.3571 -18.3571 -18.3317 -18.3317 -18.3288 -18.3288 -18.3145 -18.3145 -8.9216 -8.9216 -0.4823 -0.4823 -0.1302 -0.1302 2.1331 2.1331 2.1823 2.1823 2.6670 2.6670 2.9372 2.9372 2.9480 2.9480 3.4494 3.4494 3.7344 3.7344 9.0727 9.0727 10.6055 10.6055 10.9096 10.9096 10.9899 10.9899 k = 0.0610 0.0352-0.0000 ( 5627 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5029 -18.5029 -18.3571 -18.3571 -18.3320 -18.3320 -18.3287 -18.3287 -18.3146 -18.3146 -8.9206 -8.9206 -0.4811 -0.4811 -0.1277 -0.1277 2.1088 2.1088 2.1799 2.1799 2.6861 2.6861 2.9413 2.9413 2.9499 2.9499 3.4499 3.4499 3.7355 3.7355 9.0922 9.0922 10.5685 10.5685 10.8707 10.8707 10.9858 10.9858 k = 0.0732 0.0422-0.0000 ( 5623 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5252 -18.5252 -18.5030 -18.5030 -18.3570 -18.3570 -18.3323 -18.3323 -18.3285 -18.3285 -18.3147 -18.3147 -8.9193 -8.9193 -0.4797 -0.4797 -0.1248 -0.1248 2.0815 2.0815 2.1773 2.1773 2.7056 2.7056 2.9418 2.9418 2.9580 2.9580 3.4506 3.4506 3.7369 3.7369 9.1157 9.1157 10.5236 10.5236 10.8268 10.8268 10.9816 10.9816 k = 0.0854 0.0493-0.0000 ( 5611 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5251 -18.5251 -18.5032 -18.5032 -18.3569 -18.3569 -18.3325 -18.3325 -18.3283 -18.3283 -18.3148 -18.3148 -8.9178 -8.9178 -0.4779 -0.4779 -0.1213 -0.1213 2.0521 2.0521 2.1743 2.1743 2.7243 2.7243 2.9405 2.9405 2.9709 2.9709 3.4515 3.4515 3.7387 3.7387 9.1430 9.1430 10.4711 10.4711 10.7795 10.7795 10.9772 10.9772 k = 0.0976 0.0563-0.0000 ( 5611 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5250 -18.5250 -18.5033 -18.5033 -18.3568 -18.3568 -18.3329 -18.3329 -18.3281 -18.3281 -18.3150 -18.3150 -8.9161 -8.9161 -0.4759 -0.4759 -0.1174 -0.1174 2.0210 2.0210 2.1710 2.1710 2.7411 2.7411 2.9386 2.9386 2.9881 2.9881 3.4525 3.4525 3.7408 3.7408 9.1736 9.1736 10.4113 10.4113 10.7300 10.7300 10.9725 10.9725 k = 0.1098 0.0634-0.0000 ( 5615 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5249 -18.5249 -18.5035 -18.5035 -18.3567 -18.3567 -18.3332 -18.3332 -18.3279 -18.3279 -18.3151 -18.3151 -8.9142 -8.9142 -0.4737 -0.4737 -0.1130 -0.1130 1.9888 1.9888 2.1673 2.1673 2.7551 2.7551 2.9363 2.9363 3.0095 3.0095 3.4537 3.4537 3.7434 3.7434 9.2071 9.2071 10.3445 10.3445 10.6792 10.6792 10.9676 10.9676 k = 0.1220 0.0704-0.0000 ( 5619 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4588 -46.4588 -42.8346 -42.8346 -42.5460 -42.5460 -18.5248 -18.5248 -18.5038 -18.5038 -18.3566 -18.3566 -18.3336 -18.3336 -18.3278 -18.3278 -18.3153 -18.3153 -8.9120 -8.9120 -0.4713 -0.4713 -0.1081 -0.1081 1.9558 1.9558 2.1634 2.1634 2.7662 2.7662 2.9339 2.9339 3.0350 3.0350 3.4552 3.4552 3.7465 3.7465 9.2430 9.2430 10.2716 10.2716 10.6280 10.6280 10.9624 10.9624 k = 0.1341 0.0774-0.0000 ( 5623 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5247 -18.5247 -18.5040 -18.5040 -18.3565 -18.3565 -18.3340 -18.3340 -18.3276 -18.3276 -18.3156 -18.3156 -8.9098 -8.9098 -0.4686 -0.4686 -0.1028 -0.1028 1.9224 1.9224 2.1591 2.1591 2.7743 2.7743 2.9312 2.9312 3.0641 3.0641 3.4571 3.4571 3.7501 3.7501 9.2802 9.2802 10.1934 10.1934 10.5770 10.5770 10.9569 10.9569 k = 0.1463 0.0845-0.0000 ( 5621 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5246 -18.5246 -18.5043 -18.5043 -18.3564 -18.3564 -18.3344 -18.3344 -18.3275 -18.3275 -18.3158 -18.3158 -8.9073 -8.9073 -0.4657 -0.4657 -0.0971 -0.0971 1.8886 1.8886 2.1546 2.1546 2.7798 2.7798 2.9285 2.9285 3.0961 3.0961 3.4597 3.4597 3.7542 3.7542 9.3172 9.3172 10.1118 10.1118 10.5269 10.5269 10.9513 10.9513 k = 0.1585 0.0915-0.0000 ( 5635 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5245 -18.5245 -18.5046 -18.5046 -18.3563 -18.3563 -18.3348 -18.3348 -18.3274 -18.3274 -18.3160 -18.3160 -8.9048 -8.9048 -0.4627 -0.4627 -0.0911 -0.0911 1.8547 1.8547 2.1498 2.1498 2.7831 2.7831 2.9256 2.9256 3.1300 3.1300 3.4633 3.4633 3.7590 3.7590 9.3517 9.3517 10.0293 10.0293 10.4780 10.4780 10.9454 10.9454 k = 0.1707 0.0986-0.0000 ( 5645 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8347 -42.8347 -42.5461 -42.5461 -18.5244 -18.5244 -18.5049 -18.5049 -18.3562 -18.3562 -18.3352 -18.3352 -18.3273 -18.3273 -18.3163 -18.3163 -8.9020 -8.9020 -0.4594 -0.4594 -0.0847 -0.0847 1.8209 1.8209 2.1448 2.1448 2.7846 2.7846 2.9227 2.9227 3.1648 3.1648 3.4683 3.4683 3.7645 3.7645 9.3792 9.3792 9.9505 9.9505 10.4309 10.4309 10.9393 10.9393 k = 0.1829 0.1056-0.0000 ( 5653 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8347 -42.8347 -42.5461 -42.5461 -18.5243 -18.5243 -18.5052 -18.5052 -18.3560 -18.3560 -18.3356 -18.3356 -18.3272 -18.3272 -18.3165 -18.3165 -8.8992 -8.8992 -0.4560 -0.4560 -0.0781 -0.0781 1.7873 1.7873 2.1396 2.1396 2.7847 2.7847 2.9197 2.9197 3.1992 3.1992 3.4754 3.4754 3.7708 3.7708 9.3924 9.3924 9.8829 9.8829 10.3860 10.3860 10.9330 10.9330 k = 0.1951 0.1127-0.0000 ( 5665 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8348 -42.8348 -42.5461 -42.5461 -18.5242 -18.5242 -18.5056 -18.5056 -18.3559 -18.3559 -18.3361 -18.3361 -18.3271 -18.3271 -18.3168 -18.3168 -8.8963 -8.8963 -0.4524 -0.4524 -0.0711 -0.0711 1.7539 1.7539 2.1342 2.1342 2.7835 2.7835 2.9167 2.9167 3.2320 3.2320 3.4857 3.4857 3.7780 3.7780 9.3807 9.3807 9.8368 9.8368 10.3440 10.3440 10.9266 10.9266 k = 0.2073 0.1197-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5461 -42.5461 -18.5240 -18.5240 -18.5059 -18.5059 -18.3558 -18.3558 -18.3365 -18.3365 -18.3271 -18.3271 -18.3170 -18.3170 -8.8932 -8.8932 -0.4487 -0.4487 -0.0640 -0.0640 1.7210 1.7210 2.1288 2.1288 2.7813 2.7813 2.9138 2.9138 3.2616 3.2616 3.5004 3.5004 3.7861 3.7861 9.3367 9.3367 9.8194 9.8194 10.3056 10.3056 10.9201 10.9201 k = 0.2195 0.1267-0.0000 ( 5671 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5462 -42.5462 -18.5239 -18.5239 -18.5063 -18.5063 -18.3556 -18.3556 -18.3370 -18.3370 -18.3270 -18.3270 -18.3172 -18.3172 -8.8902 -8.8902 -0.4449 -0.4449 -0.0566 -0.0566 1.6885 1.6885 2.1233 2.1233 2.7783 2.7783 2.9109 2.9109 3.2863 3.2863 3.5203 3.5203 3.7955 3.7955 9.2638 9.2638 9.8265 9.8265 10.2720 10.2720 10.9135 10.9135 k = 0.2317 0.1338-0.0000 ( 5663 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5461 -42.5461 -18.5236 -18.5236 -18.5066 -18.5066 -18.3554 -18.3554 -18.3374 -18.3374 -18.3268 -18.3268 -18.3175 -18.3175 -8.8870 -8.8870 -0.4410 -0.4410 -0.0491 -0.0491 1.6567 1.6567 2.1177 2.1177 2.7747 2.7747 2.9081 2.9081 3.3056 3.3056 3.5461 3.5461 3.8064 3.8064 9.1713 9.1713 9.8468 9.8468 10.2451 10.2451 10.9068 10.9068 k = 0.2439 0.1408-0.0000 ( 5655 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5461 -42.5461 -18.5234 -18.5234 -18.5070 -18.5070 -18.3551 -18.3551 -18.3378 -18.3378 -18.3267 -18.3267 -18.3177 -18.3177 -8.8839 -8.8839 -0.4370 -0.4370 -0.0415 -0.0415 1.6256 1.6256 2.1121 2.1121 2.7705 2.7705 2.9054 2.9054 3.3193 3.3193 3.5768 3.5768 3.8192 3.8192 9.0673 9.0673 9.8697 9.8697 10.2274 10.2274 10.9002 10.9002 k = 0.2561 0.1479-0.0000 ( 5655 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5462 -42.5462 -18.5232 -18.5232 -18.5074 -18.5074 -18.3549 -18.3549 -18.3383 -18.3383 -18.3266 -18.3266 -18.3179 -18.3179 -8.8807 -8.8807 -0.4330 -0.4330 -0.0338 -0.0338 1.5953 1.5953 2.1065 2.1065 2.7658 2.7658 2.9027 2.9027 3.3283 3.3283 3.6108 3.6108 3.8347 3.8347 8.9568 8.9568 9.8872 9.8872 10.2217 10.2217 10.8936 10.8936 k = 0.2683 0.1549-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5462 -42.5462 -18.5231 -18.5231 -18.5078 -18.5078 -18.3548 -18.3548 -18.3388 -18.3388 -18.3266 -18.3266 -18.3182 -18.3182 -8.8775 -8.8775 -0.4289 -0.4289 -0.0262 -0.0262 1.5659 1.5659 2.1009 2.1009 2.7608 2.7608 2.9002 2.9002 3.3338 3.3338 3.6459 3.6459 3.8538 3.8538 8.8427 8.8427 9.8945 9.8945 10.2296 10.2296 10.8872 10.8872 k = 0.2805 0.1619-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5462 -42.5462 -18.5229 -18.5229 -18.5082 -18.5082 -18.3546 -18.3546 -18.3392 -18.3392 -18.3265 -18.3265 -18.3184 -18.3184 -8.8744 -8.8744 -0.4248 -0.4248 -0.0185 -0.0185 1.5374 1.5374 2.0955 2.0955 2.7555 2.7555 2.8977 2.8977 3.3367 3.3367 3.6797 3.6797 3.8777 3.8777 8.7268 8.7268 9.8908 9.8908 10.2492 10.2492 10.8810 10.8810 k = 0.2927 0.1690-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4593 -46.4593 -42.8348 -42.8348 -42.5462 -42.5462 -18.5226 -18.5226 -18.5086 -18.5086 -18.3543 -18.3543 -18.3397 -18.3397 -18.3264 -18.3264 -18.3186 -18.3186 -8.8713 -8.8713 -0.4208 -0.4208 -0.0109 -0.0109 1.5099 1.5099 2.0901 2.0901 2.7500 2.7500 2.8954 2.8954 3.3377 3.3377 3.7101 3.7101 3.9075 3.9075 8.6106 8.6106 9.8786 9.8786 10.2761 10.2761 10.8753 10.8753 k = 0.3049 0.1760-0.0000 ( 5665 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5462 -42.5462 -18.5224 -18.5224 -18.5090 -18.5090 -18.3541 -18.3541 -18.3401 -18.3401 -18.3264 -18.3264 -18.3189 -18.3189 -8.8682 -8.8682 -0.4168 -0.4168 -0.0034 -0.0034 1.4836 1.4836 2.0849 2.0849 2.7444 2.7444 2.8932 2.8932 3.3374 3.3374 3.7359 3.7359 3.9437 3.9437 8.4950 8.4950 9.8610 9.8610 10.3051 10.3051 10.8701 10.8701 k = 0.3171 0.1831-0.0000 ( 5681 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5463 -42.5463 -18.5222 -18.5222 -18.5095 -18.5095 -18.3539 -18.3539 -18.3406 -18.3406 -18.3263 -18.3263 -18.3191 -18.3191 -8.8653 -8.8653 -0.4128 -0.4128 0.0038 0.0038 1.4584 1.4584 2.0798 2.0798 2.7388 2.7388 2.8910 2.8910 3.3361 3.3361 3.7572 3.7572 3.9855 3.9855 8.3808 8.3808 9.8405 9.8405 10.3323 10.3323 10.8653 10.8653 k = 0.3293 0.1901-0.0000 ( 5681 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5463 -42.5463 -18.5220 -18.5220 -18.5099 -18.5099 -18.3536 -18.3536 -18.3411 -18.3411 -18.3263 -18.3263 -18.3193 -18.3193 -8.8624 -8.8624 -0.4089 -0.4089 0.0109 0.0109 1.4345 1.4345 2.0750 2.0750 2.7331 2.7331 2.8891 2.8891 3.3343 3.3343 3.7746 3.7746 4.0319 4.0319 8.2687 8.2687 9.8189 9.8189 10.3553 10.3553 10.8610 10.8610 k = 0.3415 0.1971-0.0000 ( 5689 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5463 -42.5463 -18.5217 -18.5217 -18.5103 -18.5103 -18.3534 -18.3534 -18.3416 -18.3416 -18.3262 -18.3262 -18.3196 -18.3196 -8.8597 -8.8597 -0.4052 -0.4052 0.0178 0.0178 1.4119 1.4119 2.0703 2.0703 2.7276 2.7276 2.8872 2.8872 3.3320 3.3320 3.7890 3.7890 4.0812 4.0812 8.1595 8.1595 9.7972 9.7972 10.3728 10.3728 10.8570 10.8570 k = 0.3537 0.2042-0.0000 ( 5691 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5463 -42.5463 -18.5215 -18.5215 -18.5107 -18.5107 -18.3532 -18.3532 -18.3420 -18.3420 -18.3262 -18.3262 -18.3197 -18.3197 -8.8571 -8.8571 -0.4016 -0.4016 0.0243 0.0243 1.3906 1.3906 2.0659 2.0659 2.7222 2.7222 2.8854 2.8854 3.3295 3.3295 3.8012 3.8012 4.1322 4.1322 8.0538 8.0538 9.7760 9.7760 10.3846 10.3846 10.8533 10.8533 k = 0.3659 0.2112-0.0000 ( 5689 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5463 -42.5463 -18.5213 -18.5213 -18.5111 -18.5111 -18.3529 -18.3529 -18.3424 -18.3424 -18.3262 -18.3262 -18.3199 -18.3199 -8.8546 -8.8546 -0.3981 -0.3981 0.0305 0.0305 1.3709 1.3709 2.0618 2.0618 2.7170 2.7170 2.8838 2.8838 3.3268 3.3268 3.8118 3.8118 4.1839 4.1839 7.9522 7.9522 9.7557 9.7557 10.3914 10.3914 10.8498 10.8498 k = 0.3780 0.2183-0.0000 ( 5693 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5210 -18.5210 -18.5115 -18.5115 -18.3527 -18.3527 -18.3429 -18.3429 -18.3261 -18.3261 -18.3200 -18.3200 -8.8523 -8.8523 -0.3949 -0.3949 0.0363 0.0363 1.3526 1.3526 2.0579 2.0579 2.7121 2.7121 2.8823 2.8823 3.3241 3.3241 3.8210 3.8210 4.2351 4.2351 7.8555 7.8555 9.7367 9.7367 10.3941 10.3941 10.8464 10.8464 k = 0.3902 0.2253-0.0000 ( 5693 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5208 -18.5208 -18.5118 -18.5118 -18.3524 -18.3524 -18.3433 -18.3433 -18.3261 -18.3261 -18.3202 -18.3202 -8.8502 -8.8502 -0.3918 -0.3918 0.0417 0.0417 1.3359 1.3359 2.0544 2.0544 2.7075 2.7075 2.8810 2.8810 3.3214 3.3214 3.8291 3.8291 4.2852 4.2852 7.7644 7.7644 9.7191 9.7191 10.3938 10.3938 10.8433 10.8433 k = 0.4024 0.2323-0.0000 ( 5691 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4611 -46.4611 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5206 -18.5206 -18.5122 -18.5122 -18.3522 -18.3522 -18.3437 -18.3437 -18.3261 -18.3261 -18.3203 -18.3203 -8.8483 -8.8483 -0.3891 -0.3891 0.0466 0.0466 1.3208 1.3208 2.0512 2.0512 2.7032 2.7032 2.8798 2.8798 3.3189 3.3189 3.8362 3.8362 4.3332 4.3332 7.6796 7.6796 9.7032 9.7032 10.3915 10.3915 10.8403 10.8403 k = 0.4146 0.2394-0.0000 ( 5689 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5203 -18.5203 -18.5125 -18.5125 -18.3519 -18.3519 -18.3440 -18.3440 -18.3260 -18.3260 -18.3204 -18.3204 -8.8465 -8.8465 -0.3865 -0.3865 0.0510 0.0510 1.3074 1.3074 2.0483 2.0483 2.6993 2.6993 2.8787 2.8787 3.3165 3.3165 3.8424 3.8424 4.3784 4.3784 7.6020 7.6020 9.6889 9.6889 10.3879 10.3879 10.8377 10.8377 k = 0.4268 0.2464-0.0000 ( 5689 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5201 -18.5201 -18.5128 -18.5128 -18.3517 -18.3517 -18.3444 -18.3444 -18.3260 -18.3260 -18.3205 -18.3205 -8.8450 -8.8450 -0.3843 -0.3843 0.0549 0.0549 1.2956 1.2956 2.0458 2.0458 2.6959 2.6959 2.8777 2.8777 3.3144 3.3144 3.8477 3.8477 4.4199 4.4199 7.5323 7.5323 9.6764 9.6764 10.3837 10.3837 10.8354 10.8354 k = 0.4390 0.2535-0.0000 ( 5687 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5199 -18.5199 -18.5131 -18.5131 -18.3515 -18.3515 -18.3447 -18.3447 -18.3260 -18.3260 -18.3206 -18.3206 -8.8437 -8.8437 -0.3824 -0.3824 0.0583 0.0583 1.2856 1.2856 2.0436 2.0436 2.6930 2.6930 2.8769 2.8769 3.3125 3.3125 3.8522 3.8522 4.4569 4.4569 7.4714 7.4714 9.6658 9.6658 10.3794 10.3794 10.8333 10.8333 k = 0.4512 0.2605-0.0000 ( 5683 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5197 -18.5197 -18.5133 -18.5133 -18.3513 -18.3513 -18.3449 -18.3449 -18.3259 -18.3259 -18.3206 -18.3206 -8.8426 -8.8426 -0.3808 -0.3808 0.0610 0.0610 1.2774 1.2774 2.0419 2.0419 2.6905 2.6905 2.8763 2.8763 3.3110 3.3110 3.8559 3.8559 4.4886 4.4886 7.4202 7.4202 9.6570 9.6570 10.3755 10.3755 10.8317 10.8317 k = 0.4634 0.2676-0.0000 ( 5687 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5196 -18.5196 -18.5136 -18.5136 -18.3511 -18.3511 -18.3451 -18.3451 -18.3259 -18.3259 -18.3207 -18.3207 -8.8418 -8.8418 -0.3795 -0.3795 0.0632 0.0632 1.2710 1.2710 2.0405 2.0405 2.6886 2.6886 2.8758 2.8758 3.3097 3.3097 3.8587 3.8587 4.5141 4.5141 7.3794 7.3794 9.6502 9.6502 10.3722 10.3722 10.8303 10.8303 k = 0.4756 0.2746-0.0000 ( 5685 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5195 -18.5195 -18.5137 -18.5137 -18.3510 -18.3510 -18.3453 -18.3453 -18.3260 -18.3260 -18.3208 -18.3208 -8.8411 -8.8411 -0.3786 -0.3786 0.0648 0.0648 1.2664 1.2664 2.0395 2.0395 2.6872 2.6872 2.8754 2.8754 3.3088 3.3088 3.8608 3.8608 4.5329 4.5329 7.3497 7.3497 9.6453 9.6453 10.3697 10.3697 10.8294 10.8294 k = 0.4878 0.2816-0.0000 ( 5682 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5194 -18.5194 -18.5138 -18.5138 -18.3509 -18.3509 -18.3454 -18.3454 -18.3259 -18.3259 -18.3208 -18.3208 -8.8408 -8.8408 -0.3781 -0.3781 0.0657 0.0657 1.2636 1.2636 2.0389 2.0389 2.6863 2.6863 2.8752 2.8752 3.3083 3.3083 3.8620 3.8620 4.5444 4.5444 7.3316 7.3316 9.6423 9.6423 10.3682 10.3682 10.8288 10.8288 k = 0.5000 0.2887-0.0000 ( 5670 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5138 -18.5138 -18.3508 -18.3508 -18.3454 -18.3454 -18.3259 -18.3259 -18.3207 -18.3207 -8.8406 -8.8406 -0.3779 -0.3779 0.0660 0.0660 1.2627 1.2627 2.0387 2.0387 2.6861 2.6861 2.8751 2.8751 3.3081 3.3081 3.8625 3.8625 4.5483 4.5483 7.3256 7.3256 9.6414 9.6414 10.3677 10.3677 10.8286 10.8286 k = 0.5000 0.2887-0.0000 ( 5670 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5138 -18.5138 -18.3508 -18.3508 -18.3454 -18.3454 -18.3259 -18.3259 -18.3207 -18.3207 -8.8406 -8.8406 -0.3779 -0.3779 0.0660 0.0660 1.2627 1.2627 2.0387 2.0387 2.6861 2.6861 2.8751 2.8751 3.3081 3.3081 3.8625 3.8625 4.5483 4.5483 7.3256 7.3256 9.6414 9.6414 10.3677 10.3677 10.8286 10.8286 k = 0.4931 0.3007-0.0000 ( 5685 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5194 -18.5194 -18.5138 -18.5138 -18.3509 -18.3509 -18.3454 -18.3454 -18.3259 -18.3259 -18.3208 -18.3208 -8.8406 -8.8406 -0.3779 -0.3779 0.0661 0.0661 1.2633 1.2633 2.0371 2.0371 2.6862 2.6862 2.8750 2.8750 3.3090 3.3090 3.8622 3.8622 4.5485 4.5485 7.3272 7.3272 9.6400 9.6400 10.3611 10.3611 10.8265 10.8265 k = 0.4861 0.3127-0.0000 ( 5683 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5138 -18.5138 -18.3509 -18.3509 -18.3454 -18.3454 -18.3260 -18.3260 -18.3208 -18.3208 -8.8405 -8.8405 -0.3777 -0.3777 0.0664 0.0664 1.2650 1.2650 2.0326 2.0326 2.6865 2.6865 2.8748 2.8748 3.3118 3.3118 3.8613 3.8613 4.5491 4.5491 7.3320 7.3320 9.6357 9.6357 10.3418 10.3418 10.8202 10.8202 k = 0.4792 0.3248-0.0000 ( 5691 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5194 -18.5194 -18.5139 -18.5139 -18.3510 -18.3510 -18.3454 -18.3454 -18.3260 -18.3260 -18.3208 -18.3208 -8.8403 -8.8403 -0.3775 -0.3775 0.0669 0.0669 1.2678 1.2678 2.0251 2.0251 2.6871 2.6871 2.8743 2.8743 3.3165 3.3165 3.8600 3.8600 4.5501 4.5501 7.3399 7.3399 9.6280 9.6280 10.3115 10.3115 10.8099 10.8099 k = 0.4722 0.3368-0.0000 ( 5693 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5139 -18.5139 -18.3510 -18.3510 -18.3454 -18.3454 -18.3260 -18.3260 -18.3208 -18.3208 -8.8401 -8.8401 -0.3773 -0.3773 0.0675 0.0675 1.2718 1.2718 2.0149 2.0149 2.6879 2.6879 2.8737 2.8737 3.3228 3.3228 3.8582 3.8582 4.5515 4.5515 7.3511 7.3511 9.6158 9.6158 10.2726 10.2726 10.7957 10.7957 k = 0.4653 0.3488-0.0000 ( 5693 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5140 -18.5140 -18.3511 -18.3511 -18.3453 -18.3453 -18.3260 -18.3260 -18.3209 -18.3209 -8.8397 -8.8397 -0.3769 -0.3769 0.0683 0.0683 1.2769 1.2769 2.0020 2.0020 2.6889 2.6889 2.8729 2.8729 3.3308 3.3308 3.8559 3.8559 4.5534 4.5534 7.3653 7.3653 9.5976 9.5976 10.2284 10.2284 10.7780 10.7780 k = 0.4583 0.3608-0.0000 ( 5687 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5140 -18.5140 -18.3511 -18.3511 -18.3453 -18.3453 -18.3260 -18.3260 -18.3209 -18.3209 -8.8393 -8.8393 -0.3765 -0.3765 0.0693 0.0693 1.2831 1.2831 1.9866 1.9866 2.6901 2.6901 2.8718 2.8718 3.3402 3.3402 3.8532 3.8532 4.5557 4.5557 7.3826 7.3826 9.5716 9.5716 10.1830 10.1830 10.7571 10.7571 k = 0.4514 0.3729-0.0000 ( 5687 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5141 -18.5141 -18.3512 -18.3512 -18.3452 -18.3452 -18.3259 -18.3259 -18.3209 -18.3209 -8.8389 -8.8389 -0.3760 -0.3760 0.0704 0.0704 1.2903 1.2903 1.9690 1.9690 2.6915 2.6915 2.8704 2.8704 3.3509 3.3509 3.8501 3.8501 4.5584 4.5584 7.4030 7.4030 9.5358 9.5358 10.1401 10.1401 10.7333 10.7333 k = 0.4444 0.3849-0.0000 ( 5703 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5142 -18.5142 -18.3513 -18.3513 -18.3452 -18.3452 -18.3260 -18.3260 -18.3210 -18.3210 -8.8384 -8.8384 -0.3754 -0.3754 0.0716 0.0716 1.2987 1.2987 1.9494 1.9494 2.6930 2.6930 2.8687 2.8687 3.3625 3.3625 3.8467 3.8467 4.5615 4.5615 7.4264 7.4264 9.4886 9.4886 10.1033 10.1033 10.7070 10.7070 k = 0.4375 0.3969-0.0000 ( 5691 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5191 -18.5191 -18.5143 -18.5143 -18.3513 -18.3513 -18.3451 -18.3451 -18.3260 -18.3260 -18.3210 -18.3210 -8.8378 -8.8378 -0.3748 -0.3748 0.0730 0.0730 1.3081 1.3081 1.9281 1.9281 2.6947 2.6947 2.8668 2.8668 3.3751 3.3751 3.8431 3.8431 4.5651 4.5651 7.4527 7.4527 9.4297 9.4297 10.0745 10.0745 10.6786 10.6786 k = 0.4306 0.4090-0.0000 ( 5691 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5191 -18.5191 -18.5143 -18.5143 -18.3514 -18.3514 -18.3451 -18.3451 -18.3260 -18.3260 -18.3211 -18.3211 -8.8372 -8.8372 -0.3741 -0.3741 0.0744 0.0744 1.3185 1.3185 1.9053 1.9053 2.6965 2.6965 2.8646 2.8646 3.3882 3.3882 3.8393 3.8393 4.5692 4.5692 7.4820 7.4820 9.3598 9.3598 10.0543 10.0543 10.6485 10.6485 k = 0.4236 0.4210-0.0000 ( 5693 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5190 -18.5190 -18.5145 -18.5145 -18.3514 -18.3514 -18.3451 -18.3451 -18.3260 -18.3260 -18.3211 -18.3211 -8.8366 -8.8366 -0.3734 -0.3734 0.0759 0.0759 1.3299 1.3299 1.8813 1.8813 2.6984 2.6984 2.8622 2.8622 3.4016 3.4016 3.8355 3.8355 4.5737 4.5737 7.5140 7.5140 9.2808 9.2808 10.0421 10.0421 10.6171 10.6171 k = 0.4167 0.4330-0.0000 ( 5697 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5189 -18.5189 -18.5146 -18.5146 -18.3515 -18.3515 -18.3450 -18.3450 -18.3260 -18.3260 -18.3212 -18.3212 -8.8360 -8.8360 -0.3727 -0.3727 0.0775 0.0775 1.3423 1.3423 1.8562 1.8562 2.7003 2.7003 2.8595 2.8595 3.4151 3.4151 3.8317 3.8317 4.5786 4.5786 7.5488 7.5488 9.1947 9.1947 10.0367 10.0367 10.5847 10.5847 k = 0.4097 0.4450-0.0000 ( 5689 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5188 -18.5188 -18.5147 -18.5147 -18.3516 -18.3516 -18.3450 -18.3450 -18.3260 -18.3260 -18.3212 -18.3212 -8.8353 -8.8353 -0.3720 -0.3720 0.0791 0.0791 1.3556 1.3556 1.8304 1.8304 2.7024 2.7024 2.8567 2.8567 3.4284 3.4284 3.8280 3.8280 4.5839 4.5839 7.5863 7.5863 9.1038 9.1038 10.0369 10.0369 10.5516 10.5516 k = 0.4028 0.4571-0.0000 ( 5681 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5187 -18.5187 -18.5148 -18.5148 -18.3516 -18.3516 -18.3449 -18.3449 -18.3260 -18.3260 -18.3212 -18.3212 -8.8347 -8.8347 -0.3712 -0.3712 0.0807 0.0807 1.3698 1.3698 1.8041 1.8041 2.7044 2.7044 2.8538 2.8538 3.4413 3.4413 3.8246 3.8246 4.5895 4.5895 7.6264 7.6264 9.0099 9.0099 10.0415 10.0415 10.5183 10.5183 k = 0.3958 0.4691-0.0000 ( 5681 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5186 -18.5186 -18.5149 -18.5149 -18.3517 -18.3517 -18.3449 -18.3449 -18.3260 -18.3260 -18.3213 -18.3213 -8.8340 -8.8340 -0.3705 -0.3705 0.0823 0.0823 1.3849 1.3849 1.7774 1.7774 2.7064 2.7064 2.8509 2.8509 3.4534 3.4534 3.8215 3.8215 4.5955 4.5955 7.6690 7.6690 8.9145 8.9145 10.0496 10.0496 10.4849 10.4849 k = 0.3889 0.4811-0.0000 ( 5683 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5185 -18.5185 -18.5151 -18.5151 -18.3517 -18.3517 -18.3449 -18.3449 -18.3260 -18.3260 -18.3213 -18.3213 -8.8334 -8.8334 -0.3697 -0.3697 0.0839 0.0839 1.4008 1.4008 1.7506 1.7506 2.7083 2.7083 2.8479 2.8479 3.4646 3.4646 3.8188 3.8188 4.6016 4.6016 7.7141 7.7141 8.8190 8.8190 10.0607 10.0607 10.4518 10.4518 k = 0.3819 0.4932-0.0000 ( 5679 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5184 -18.5184 -18.5152 -18.5152 -18.3518 -18.3518 -18.3448 -18.3448 -18.3260 -18.3260 -18.3213 -18.3213 -8.8328 -8.8328 -0.3690 -0.3690 0.0853 0.0853 1.4175 1.4175 1.7238 1.7238 2.7100 2.7100 2.8451 2.8451 3.4746 3.4746 3.8166 3.8166 4.6078 4.6078 7.7615 7.7615 8.7244 8.7244 10.0740 10.0740 10.4192 10.4192 k = 0.3750 0.5052-0.0000 ( 5671 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5463 -42.5463 -18.5182 -18.5182 -18.5154 -18.5154 -18.3518 -18.3518 -18.3448 -18.3448 -18.3260 -18.3260 -18.3213 -18.3213 -8.8323 -8.8323 -0.3684 -0.3684 0.0867 0.0867 1.4349 1.4349 1.6974 1.6974 2.7117 2.7117 2.8425 2.8425 3.4834 3.4834 3.8149 3.8149 4.6140 4.6140 7.8113 7.8113 8.6317 8.6317 10.0893 10.0893 10.3874 10.3874 k = 0.3681 0.5172-0.0000 ( 5663 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5463 -42.5463 -18.5181 -18.5181 -18.5155 -18.5155 -18.3518 -18.3518 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8318 -8.8318 -0.3678 -0.3678 0.0879 0.0879 1.4530 1.4530 1.6713 1.6713 2.7131 2.7131 2.8401 2.8401 3.4908 3.4908 3.8136 3.8136 4.6200 4.6200 7.8632 7.8632 8.5417 8.5417 10.1062 10.1062 10.3567 10.3567 k = 0.3611 0.5292-0.0000 ( 5663 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5463 -42.5463 -18.5180 -18.5180 -18.5156 -18.5156 -18.3518 -18.3518 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8314 -8.8314 -0.3673 -0.3673 0.0890 0.0890 1.4718 1.4718 1.6459 1.6459 2.7143 2.7143 2.8381 2.8381 3.4967 3.4967 3.8128 3.8128 4.6255 4.6255 7.9173 7.9173 8.4552 8.4552 10.1242 10.1242 10.3274 10.3274 k = 0.3542 0.5413-0.0000 ( 5687 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5179 -18.5179 -18.5158 -18.5158 -18.3519 -18.3519 -18.3449 -18.3449 -18.3260 -18.3260 -18.3215 -18.3215 -8.8310 -8.8310 -0.3668 -0.3668 0.0899 0.0899 1.4911 1.4911 1.6212 1.6212 2.7152 2.7152 2.8364 2.8364 3.5011 3.5011 3.8123 3.8123 4.6303 4.6303 7.9733 7.9733 8.3730 8.3730 10.1429 10.1429 10.2998 10.2998 k = 0.3472 0.5533-0.0000 ( 5675 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5178 -18.5178 -18.5159 -18.5159 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3214 -18.3214 -8.8308 -8.8308 -0.3665 -0.3665 0.0906 0.0906 1.5108 1.5108 1.5976 1.5976 2.7158 2.7158 2.8352 2.8352 3.5042 3.5042 3.8122 3.8122 4.6342 4.6342 8.0310 8.0310 8.2959 8.2959 10.1614 10.1614 10.2750 10.2750 k = 0.3403 0.5653-0.0000 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8306 -8.8306 -0.3663 -0.3663 0.0910 0.0910 1.5307 1.5307 1.5753 1.5753 2.7162 2.7162 2.8345 2.8345 3.5059 3.5059 3.8123 3.8123 4.6368 4.6368 8.0893 8.0893 8.2256 8.2256 10.1777 10.1777 10.2549 10.2549 k = 0.3333 0.5774-0.0000 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8305 -8.8305 -0.3662 -0.3662 0.0911 0.0911 1.5459 1.5459 1.5593 1.5593 2.7163 2.7163 2.8342 2.8342 3.5065 3.5065 3.8123 3.8123 4.6377 4.6377 8.1325 8.1325 8.1782 8.1782 10.1852 10.1852 10.2462 10.2462 k = 0.3333 0.5774-0.0000 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8305 -8.8305 -0.3662 -0.3662 0.0911 0.0911 1.5459 1.5459 1.5593 1.5593 2.7163 2.7163 2.8342 2.8342 3.5065 3.5065 3.8123 3.8123 4.6377 4.6377 8.1325 8.1325 8.1782 8.1782 10.1852 10.1852 10.2462 10.2462 k = 0.3262 0.5651-0.0000 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8306 -8.8306 -0.3663 -0.3663 0.0910 0.0910 1.5308 1.5308 1.5753 1.5753 2.7162 2.7162 2.8345 2.8345 3.5060 3.5060 3.8122 3.8122 4.6366 4.6366 8.0905 8.0905 8.2247 8.2247 10.1778 10.1778 10.2549 10.2549 k = 0.3191 0.5528-0.0000 ( 5679 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5178 -18.5178 -18.5159 -18.5159 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3215 -18.3215 -8.8308 -8.8308 -0.3666 -0.3666 0.0905 0.0905 1.5119 1.5119 1.5968 1.5968 2.7159 2.7159 2.8352 2.8352 3.5045 3.5045 3.8118 3.8118 4.6330 4.6330 8.0390 8.0390 8.2899 8.2899 10.1626 10.1626 10.2741 10.2741 k = 0.3121 0.5405-0.0000 ( 5683 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5464 -42.5464 -18.5180 -18.5180 -18.5158 -18.5158 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3215 -18.3215 -8.8311 -8.8311 -0.3670 -0.3670 0.0896 0.0896 1.4943 1.4943 1.6188 1.6188 2.7155 2.7155 2.8364 2.8364 3.5022 3.5022 3.8111 3.8111 4.6266 4.6266 7.9942 7.9942 8.3580 8.3580 10.1463 10.1463 10.2969 10.2969 k = 0.3050 0.5282-0.0000 ( 5679 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5464 -42.5464 -18.5181 -18.5181 -18.5155 -18.5155 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3214 -18.3214 -8.8316 -8.8316 -0.3676 -0.3676 0.0884 0.0884 1.4783 1.4783 1.6412 1.6412 2.7151 2.7151 2.8380 2.8380 3.4994 3.4994 3.8099 3.8099 4.6170 4.6170 7.9574 7.9574 8.4281 8.4281 10.1310 10.1310 10.3214 10.3214 k = 0.2979 0.5159-0.0000 ( 5683 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8349 -42.8349 -42.5464 -42.5464 -18.5183 -18.5183 -18.5153 -18.5153 -18.3519 -18.3519 -18.3447 -18.3447 -18.3260 -18.3260 -18.3214 -18.3214 -8.8322 -8.8322 -0.3685 -0.3685 0.0868 0.0868 1.4639 1.4639 1.6637 1.6637 2.7146 2.7146 2.8400 2.8400 3.4960 3.4960 3.8080 3.8080 4.6040 4.6040 7.9292 7.9292 8.4999 8.4999 10.1175 10.1175 10.3467 10.3467 k = 0.2908 0.5036-0.0000 ( 5683 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5186 -18.5186 -18.5150 -18.5150 -18.3520 -18.3520 -18.3447 -18.3447 -18.3260 -18.3260 -18.3213 -18.3213 -8.8330 -8.8330 -0.3696 -0.3696 0.0847 0.0847 1.4514 1.4514 1.6863 1.6863 2.7143 2.7143 2.8423 2.8423 3.4923 3.4923 3.8056 3.8056 4.5872 4.5872 7.9100 7.9100 8.5732 8.5732 10.1062 10.1062 10.3725 10.3725 k = 0.2837 0.4914-0.0000 ( 5695 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5188 -18.5188 -18.5148 -18.5148 -18.3520 -18.3520 -18.3446 -18.3446 -18.3261 -18.3261 -18.3213 -18.3213 -8.8340 -8.8340 -0.3709 -0.3709 0.0823 0.0823 1.4407 1.4407 1.7089 1.7089 2.7141 2.7141 2.8448 2.8448 3.4884 3.4884 3.8024 3.8024 4.5667 4.5667 7.8999 7.8999 8.6479 8.6479 10.0972 10.0972 10.3986 10.3986 k = 0.2766 0.4791-0.0000 ( 5689 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5190 -18.5190 -18.5145 -18.5145 -18.3521 -18.3521 -18.3445 -18.3445 -18.3260 -18.3260 -18.3212 -18.3212 -8.8351 -8.8351 -0.3724 -0.3724 0.0794 0.0794 1.4320 1.4320 1.7315 1.7315 2.7142 2.7142 2.8475 2.8475 3.4843 3.4843 3.7985 3.7985 4.5423 4.5423 7.8989 7.8989 8.7238 8.7238 10.0907 10.0907 10.4247 10.4247 k = 0.2695 0.4668-0.0000 ( 5689 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5142 -18.5142 -18.3521 -18.3521 -18.3443 -18.3443 -18.3260 -18.3260 -18.3211 -18.3211 -8.8364 -8.8364 -0.3742 -0.3742 0.0761 0.0761 1.4253 1.4253 1.7539 1.7539 2.7145 2.7145 2.8505 2.8505 3.4802 3.4802 3.7938 3.7938 4.5141 4.5141 7.9071 7.9071 8.8010 8.8010 10.0869 10.0869 10.4507 10.4507 k = 0.2624 0.4545-0.0000 ( 5671 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5194 -18.5194 -18.5138 -18.5138 -18.3521 -18.3521 -18.3441 -18.3441 -18.3260 -18.3260 -18.3210 -18.3210 -8.8379 -8.8379 -0.3761 -0.3761 0.0724 0.0724 1.4206 1.4206 1.7762 1.7762 2.7152 2.7152 2.8535 2.8535 3.4761 3.4761 3.7884 3.7884 4.4824 4.4824 7.9242 7.9242 8.8791 8.8791 10.0860 10.0860 10.4765 10.4765 k = 0.2553 0.4422-0.0000 ( 5675 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5197 -18.5197 -18.5135 -18.5135 -18.3523 -18.3523 -18.3439 -18.3439 -18.3260 -18.3260 -18.3209 -18.3209 -8.8395 -8.8395 -0.3784 -0.3784 0.0682 0.0682 1.4179 1.4179 1.7981 1.7981 2.7162 2.7162 2.8567 2.8567 3.4720 3.4720 3.7822 3.7822 4.4472 4.4472 7.9500 7.9500 8.9581 8.9581 10.0880 10.0880 10.5019 10.5019 k = 0.2482 0.4299-0.0000 ( 5675 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5199 -18.5199 -18.5131 -18.5131 -18.3524 -18.3524 -18.3437 -18.3437 -18.3260 -18.3260 -18.3208 -18.3208 -8.8413 -8.8413 -0.3808 -0.3808 0.0637 0.0637 1.4174 1.4174 1.8198 1.8198 2.7176 2.7176 2.8599 2.8599 3.4680 3.4680 3.7751 3.7751 4.4090 4.4090 7.9842 7.9842 9.0379 9.0379 10.0931 10.0931 10.5267 10.5267 k = 0.2411 0.4177-0.0000 ( 5683 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5202 -18.5202 -18.5128 -18.5128 -18.3525 -18.3525 -18.3435 -18.3435 -18.3261 -18.3261 -18.3207 -18.3207 -8.8433 -8.8433 -0.3836 -0.3836 0.0587 0.0587 1.4189 1.4189 1.8411 1.8411 2.7193 2.7193 2.8631 2.8631 3.4641 3.4641 3.7672 3.7672 4.3681 4.3681 8.0263 8.0263 9.1181 9.1181 10.1016 10.1016 10.5505 10.5505 k = 0.2340 0.4054-0.0000 ( 5679 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5205 -18.5205 -18.5124 -18.5124 -18.3527 -18.3527 -18.3431 -18.3431 -18.3261 -18.3261 -18.3205 -18.3205 -8.8454 -8.8454 -0.3865 -0.3865 0.0533 0.0533 1.4225 1.4225 1.8620 1.8620 2.7215 2.7215 2.8663 2.8663 3.4604 3.4604 3.7583 3.7583 4.3250 4.3250 8.0758 8.0758 9.1986 9.1986 10.1137 10.1137 10.5731 10.5731 k = 0.2270 0.3931-0.0000 ( 5671 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4611 -46.4611 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5207 -18.5207 -18.5120 -18.5120 -18.3528 -18.3528 -18.3428 -18.3428 -18.3261 -18.3261 -18.3203 -18.3203 -8.8477 -8.8477 -0.3896 -0.3896 0.0475 0.0475 1.4281 1.4281 1.8824 1.8824 2.7240 2.7240 2.8696 2.8696 3.4569 3.4569 3.7485 3.7485 4.2802 4.2802 8.1324 8.1324 9.2791 9.2791 10.1296 10.1296 10.5938 10.5938 k = 0.2199 0.3808-0.0000 ( 5665 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5209 -18.5209 -18.5115 -18.5115 -18.3530 -18.3530 -18.3425 -18.3425 -18.3261 -18.3261 -18.3201 -18.3201 -8.8501 -8.8501 -0.3929 -0.3929 0.0414 0.0414 1.4358 1.4358 1.9023 1.9023 2.7269 2.7269 2.8728 2.8728 3.4536 3.4536 3.7376 3.7376 4.2343 4.2343 8.1955 8.1955 9.3593 9.3593 10.1497 10.1497 10.6113 10.6113 k = 0.2128 0.3685-0.0000 ( 5665 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4596 -46.4596 -42.8348 -42.8348 -42.5463 -42.5463 -18.5212 -18.5212 -18.5112 -18.5112 -18.3532 -18.3532 -18.3421 -18.3421 -18.3261 -18.3261 -18.3200 -18.3200 -8.8527 -8.8527 -0.3964 -0.3964 0.0350 0.0350 1.4456 1.4456 1.9216 1.9216 2.7302 2.7302 2.8761 2.8761 3.4503 3.4503 3.7254 3.7254 4.1878 4.1878 8.2644 8.2644 9.4387 9.4387 10.1744 10.1744 10.6224 10.6224 k = 0.2057 0.3562-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5463 -42.5463 -18.5214 -18.5214 -18.5108 -18.5108 -18.3534 -18.3534 -18.3418 -18.3418 -18.3262 -18.3262 -18.3198 -18.3198 -8.8554 -8.8554 -0.4000 -0.4000 0.0283 0.0283 1.4573 1.4573 1.9403 1.9403 2.7337 2.7337 2.8792 2.8792 3.4472 3.4472 3.7117 3.7117 4.1413 4.1413 8.3388 8.3388 9.5168 9.5168 10.2040 10.2040 10.6197 10.6197 k = 0.1986 0.3440-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4595 -46.4595 -42.8349 -42.8349 -42.5462 -42.5462 -18.5217 -18.5217 -18.5103 -18.5103 -18.3536 -18.3536 -18.3414 -18.3414 -18.3262 -18.3262 -18.3196 -18.3196 -8.8582 -8.8582 -0.4038 -0.4038 0.0213 0.0213 1.4709 1.4709 1.9584 1.9584 2.7376 2.7376 2.8824 2.8824 3.4441 3.4441 3.6964 3.6964 4.0957 4.0957 8.4179 8.4179 9.5931 9.5931 10.2391 10.2391 10.5905 10.5905 k = 0.1915 0.3317-0.0000 ( 5679 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5463 -42.5463 -18.5220 -18.5220 -18.5099 -18.5099 -18.3538 -18.3538 -18.3410 -18.3410 -18.3263 -18.3263 -18.3194 -18.3194 -8.8611 -8.8611 -0.4077 -0.4077 0.0140 0.0140 1.4864 1.4864 1.9758 1.9758 2.7417 2.7417 2.8855 2.8855 3.4409 3.4409 3.6791 3.6791 4.0516 4.0516 8.5013 8.5013 9.6671 9.6671 10.2801 10.2801 10.5336 10.5336 k = 0.1844 0.3194-0.0000 ( 5671 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4594 -46.4594 -42.8348 -42.8348 -42.5462 -42.5462 -18.5222 -18.5222 -18.5095 -18.5095 -18.3540 -18.3540 -18.3405 -18.3405 -18.3263 -18.3263 -18.3192 -18.3192 -8.8641 -8.8641 -0.4117 -0.4117 0.0066 0.0066 1.5038 1.5038 1.9925 1.9925 2.7460 2.7460 2.8885 2.8885 3.4376 3.4376 3.6594 3.6594 4.0098 4.0098 8.5883 8.5883 9.7382 9.7382 10.3268 10.3268 10.4632 10.4632 k = 0.1773 0.3071-0.0000 ( 5671 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5462 -42.5462 -18.5224 -18.5224 -18.5091 -18.5091 -18.3542 -18.3542 -18.3401 -18.3401 -18.3264 -18.3264 -18.3189 -18.3189 -8.8672 -8.8672 -0.4157 -0.4157 -0.0010 -0.0010 1.5229 1.5229 2.0085 2.0085 2.7504 2.7504 2.8916 2.8916 3.4338 3.4338 3.6373 3.6373 3.9711 3.9711 8.6783 8.6783 9.8060 9.8060 10.3660 10.3660 10.4025 10.4025 k = 0.1702 0.2948-0.0000 ( 5675 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5462 -42.5462 -18.5227 -18.5227 -18.5087 -18.5087 -18.3544 -18.3544 -18.3397 -18.3397 -18.3265 -18.3265 -18.3187 -18.3187 -8.8703 -8.8703 -0.4199 -0.4199 -0.0087 -0.0087 1.5436 1.5436 2.0238 2.0238 2.7550 2.7550 2.8945 2.8945 3.4292 3.4292 3.6127 3.6127 3.9360 3.9360 8.7705 8.7705 9.8703 9.8703 10.3051 10.3051 10.4481 10.4481 k = 0.1631 0.2825-0.0000 ( 5677 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5462 -42.5462 -18.5229 -18.5229 -18.5083 -18.5083 -18.3546 -18.3546 -18.3392 -18.3392 -18.3265 -18.3265 -18.3185 -18.3185 -8.8735 -8.8735 -0.4240 -0.4240 -0.0166 -0.0166 1.5660 1.5660 2.0383 2.0383 2.7595 2.7595 2.8975 2.8975 3.4233 3.4233 3.5860 3.5860 3.9049 3.9049 8.8641 8.8641 9.9312 9.9312 10.2309 10.2309 10.5154 10.5154 k = 0.1560 0.2702-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5462 -42.5462 -18.5231 -18.5231 -18.5079 -18.5079 -18.3548 -18.3548 -18.3388 -18.3388 -18.3266 -18.3266 -18.3182 -18.3182 -8.8768 -8.8768 -0.4281 -0.4281 -0.0244 -0.0244 1.5899 1.5899 2.0520 2.0520 2.7640 2.7640 2.9004 2.9004 3.4149 3.4149 3.5586 3.5586 3.8780 3.8780 8.9582 8.9582 9.9888 9.9888 10.1590 10.1590 10.5897 10.5897 k = 0.1489 0.2580-0.0000 ( 5681 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5462 -42.5462 -18.5233 -18.5233 -18.5075 -18.5075 -18.3550 -18.3550 -18.3384 -18.3384 -18.3267 -18.3267 -18.3180 -18.3180 -8.8800 -8.8800 -0.4323 -0.4323 -0.0323 -0.0323 1.6152 1.6152 2.0650 2.0650 2.7683 2.7683 2.9033 2.9033 3.4025 3.4025 3.5323 3.5323 3.8550 3.8550 9.0512 9.0512 10.0408 10.0408 10.0940 10.0940 10.6696 10.6696 k = 0.1418 0.2457-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5462 -42.5462 -18.5234 -18.5234 -18.5071 -18.5071 -18.3552 -18.3552 -18.3379 -18.3379 -18.3267 -18.3267 -18.3178 -18.3178 -8.8833 -8.8833 -0.4364 -0.4364 -0.0401 -0.0401 1.6419 1.6419 2.0773 2.0773 2.7725 2.7725 2.9062 2.9062 3.3841 3.3841 3.5098 3.5098 3.8354 3.8354 9.1415 9.1415 10.0228 10.0228 10.1030 10.1030 10.7537 10.7537 k = 0.1348 0.2334-0.0000 ( 5665 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5461 -42.5461 -18.5236 -18.5236 -18.5067 -18.5067 -18.3554 -18.3554 -18.3375 -18.3375 -18.3268 -18.3268 -18.3175 -18.3175 -8.8865 -8.8865 -0.4404 -0.4404 -0.0479 -0.0479 1.6697 1.6697 2.0887 2.0887 2.7762 2.7762 2.9091 2.9091 3.3585 3.3585 3.4928 3.4928 3.8189 3.8189 9.2260 9.2260 9.9701 9.9701 10.1537 10.1537 10.8364 10.8364 k = 0.1277 0.2211-0.0000 ( 5663 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5461 -42.5461 -18.5238 -18.5238 -18.5063 -18.5063 -18.3555 -18.3555 -18.3370 -18.3370 -18.3269 -18.3269 -18.3173 -18.3173 -8.8897 -8.8897 -0.4444 -0.4444 -0.0555 -0.0555 1.6987 1.6987 2.0995 2.0995 2.7796 2.7796 2.9120 2.9120 3.3267 3.3267 3.4812 3.4812 3.8050 3.8050 9.3002 9.3002 9.9287 9.9287 10.2051 10.2051 10.8807 10.8807 k = 0.1206 0.2088-0.0000 ( 5667 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5461 -42.5461 -18.5240 -18.5240 -18.5060 -18.5060 -18.3557 -18.3557 -18.3366 -18.3366 -18.3270 -18.3270 -18.3171 -18.3171 -8.8928 -8.8928 -0.4483 -0.4483 -0.0630 -0.0630 1.7287 1.7287 2.1095 2.1095 2.7823 2.7823 2.9149 2.9149 3.2907 3.2907 3.4734 3.4734 3.7931 3.7931 9.3577 9.3577 9.9058 9.9058 10.2564 10.2564 10.8963 10.8963 k = 0.1135 0.1965-0.0000 ( 5669 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8348 -42.8348 -42.5461 -42.5461 -18.5242 -18.5242 -18.5057 -18.5057 -18.3559 -18.3559 -18.3362 -18.3362 -18.3271 -18.3271 -18.3168 -18.3168 -8.8959 -8.8959 -0.4520 -0.4520 -0.0702 -0.0702 1.7595 1.7595 2.1188 2.1188 2.7843 2.7843 2.9177 2.9177 3.2524 3.2524 3.4681 3.4681 3.7830 3.7830 9.3912 9.3912 9.9084 9.9084 10.3078 10.3078 10.9083 10.9083 k = 0.1064 0.1843-0.0000 ( 5665 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8348 -42.8348 -42.5461 -42.5461 -18.5243 -18.5243 -18.5053 -18.5053 -18.3561 -18.3561 -18.3357 -18.3357 -18.3272 -18.3272 -18.3166 -18.3166 -8.8989 -8.8989 -0.4556 -0.4556 -0.0773 -0.0773 1.7911 1.7911 2.1274 2.1274 2.7854 2.7854 2.9206 2.9206 3.2134 3.2134 3.4643 3.4643 3.7743 3.7743 9.3982 9.3982 9.9385 9.9385 10.3594 10.3594 10.9188 10.9188 k = 0.0993 0.1720-0.0000 ( 5657 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4620 -46.4620 -46.4590 -46.4590 -42.8347 -42.8347 -42.5461 -42.5461 -18.5244 -18.5244 -18.5050 -18.5050 -18.3562 -18.3562 -18.3353 -18.3353 -18.3273 -18.3273 -18.3163 -18.3163 -8.9017 -8.9017 -0.4591 -0.4591 -0.0840 -0.0840 1.8234 1.8234 2.1353 2.1353 2.7854 2.7854 2.9234 2.9234 3.1746 3.1746 3.4614 3.4614 3.7670 3.7670 9.3837 9.3837 9.9909 9.9909 10.4115 10.4115 10.9284 10.9284 k = 0.0922 0.1597-0.0000 ( 5657 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5461 -42.5461 -18.5246 -18.5246 -18.5047 -18.5047 -18.3563 -18.3563 -18.3349 -18.3349 -18.3275 -18.3275 -18.3161 -18.3161 -8.9045 -8.9045 -0.4624 -0.4624 -0.0905 -0.0905 1.8560 1.8560 2.1426 2.1426 2.7839 2.7839 2.9262 2.9262 3.1368 3.1368 3.4592 3.4592 3.7607 3.7607 9.3558 9.3558 10.0568 10.0568 10.4639 10.4639 10.9371 10.9371 k = 0.0851 0.1474-0.0000 ( 5635 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5246 -18.5246 -18.5044 -18.5044 -18.3564 -18.3564 -18.3344 -18.3344 -18.3275 -18.3275 -18.3158 -18.3158 -8.9071 -8.9071 -0.4655 -0.4655 -0.0966 -0.0966 1.8890 1.8890 2.1492 2.1492 2.7807 2.7807 2.9289 2.9289 3.1009 3.1009 3.4574 3.4574 3.7553 3.7553 9.3210 9.3210 10.1292 10.1292 10.5167 10.5167 10.9452 10.9452 k = 0.0780 0.1351-0.0000 ( 5633 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5247 -18.5247 -18.5041 -18.5041 -18.3565 -18.3565 -18.3340 -18.3340 -18.3277 -18.3277 -18.3156 -18.3156 -8.9096 -8.9096 -0.4684 -0.4684 -0.1024 -0.1024 1.9221 1.9221 2.1552 2.1552 2.7752 2.7752 2.9316 2.9316 3.0675 3.0675 3.4559 3.4559 3.7508 3.7508 9.2835 9.2835 10.2034 10.2034 10.5697 10.5697 10.9525 10.9525 k = 0.0709 0.1228-0.0000 ( 5631 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4589 -46.4589 -42.8347 -42.8347 -42.5460 -42.5460 -18.5249 -18.5249 -18.5038 -18.5038 -18.3567 -18.3567 -18.3337 -18.3337 -18.3278 -18.3278 -18.3154 -18.3154 -8.9119 -8.9119 -0.4711 -0.4711 -0.1077 -0.1077 1.9552 1.9552 2.1607 2.1607 2.7672 2.7672 2.9341 2.9341 3.0374 3.0374 3.4545 3.4545 3.7469 3.7469 9.2459 9.2459 10.2763 10.2763 10.6226 10.6226 10.9593 10.9593 k = 0.0638 0.1106-0.0000 ( 5625 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8347 -42.8347 -42.5460 -42.5460 -18.5249 -18.5249 -18.5036 -18.5036 -18.3568 -18.3568 -18.3333 -18.3333 -18.3279 -18.3279 -18.3152 -18.3152 -8.9140 -8.9140 -0.4736 -0.4736 -0.1126 -0.1126 1.9879 1.9879 2.1655 2.1655 2.7562 2.7562 2.9365 2.9365 3.0111 3.0111 3.4534 3.4534 3.7437 3.7437 9.2095 9.2095 10.3459 10.3459 10.6752 10.6752 10.9655 10.9655 k = 0.0567 0.0983-0.0000 ( 5629 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8347 -42.8347 -42.5460 -42.5460 -18.5250 -18.5250 -18.5034 -18.5034 -18.3569 -18.3569 -18.3329 -18.3329 -18.3281 -18.3281 -18.3150 -18.3150 -8.9160 -8.9160 -0.4758 -0.4758 -0.1171 -0.1171 2.0199 2.0199 2.1698 2.1698 2.7421 2.7421 2.9387 2.9387 2.9891 2.9891 3.4523 3.4523 3.7410 3.7410 9.1755 9.1755 10.4108 10.4108 10.7270 10.7270 10.9711 10.9711 k = 0.0496 0.0860-0.0000 ( 5625 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8347 -42.8347 -42.5459 -42.5459 -18.5251 -18.5251 -18.5032 -18.5032 -18.3570 -18.3570 -18.3326 -18.3326 -18.3283 -18.3283 -18.3149 -18.3149 -8.9177 -8.9177 -0.4778 -0.4778 -0.1211 -0.1211 2.0510 2.0510 2.1736 2.1736 2.7253 2.7253 2.9406 2.9406 2.9716 2.9716 3.4514 3.4514 3.7388 3.7388 9.1445 9.1445 10.4698 10.4698 10.7772 10.7772 10.9763 10.9763 k = 0.0426 0.0737-0.0000 ( 5623 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5252 -18.5252 -18.5031 -18.5031 -18.3570 -18.3570 -18.3323 -18.3323 -18.3285 -18.3285 -18.3147 -18.3147 -8.9192 -8.9192 -0.4796 -0.4796 -0.1246 -0.1246 2.0805 2.0805 2.1768 2.1768 2.7065 2.7065 2.9419 2.9419 2.9583 2.9583 3.4506 3.4506 3.7370 3.7370 9.1168 9.1168 10.5222 10.5222 10.8249 10.8249 10.9811 10.9811 k = 0.0355 0.0614-0.0000 ( 5623 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5252 -18.5252 -18.5029 -18.5029 -18.3571 -18.3571 -18.3320 -18.3320 -18.3286 -18.3286 -18.3146 -18.3146 -8.9205 -8.9205 -0.4811 -0.4811 -0.1276 -0.1276 2.1080 2.1080 2.1797 2.1797 2.6868 2.6868 2.9415 2.9415 2.9500 2.9500 3.4499 3.4499 3.7355 3.7355 9.0930 9.0930 10.5672 10.5672 10.8692 10.8692 10.9855 10.9855 k = 0.0284 0.0491-0.0000 ( 5615 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5028 -18.5028 -18.3571 -18.3571 -18.3317 -18.3317 -18.3288 -18.3288 -18.3145 -18.3145 -8.9216 -8.9216 -0.4823 -0.4823 -0.1301 -0.1301 2.1325 2.1325 2.1822 2.1822 2.6676 2.6676 2.9374 2.9374 2.9480 2.9480 3.4494 3.4494 3.7344 3.7344 9.0732 9.0732 10.6046 10.6046 10.9086 10.9086 10.9897 10.9897 k = 0.0213 0.0369-0.0000 ( 5611 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5027 -18.5027 -18.3572 -18.3572 -18.3314 -18.3314 -18.3289 -18.3289 -18.3144 -18.3144 -8.9225 -8.9225 -0.4833 -0.4833 -0.1320 -0.1320 2.1529 2.1529 2.1846 2.1846 2.6502 2.6502 2.9329 2.9329 2.9484 2.9484 3.4489 3.4489 3.7336 3.7336 9.0576 9.0576 10.6338 10.6338 10.9410 10.9410 10.9940 10.9940 k = 0.0142 0.0246-0.0000 ( 5609 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3572 -18.3572 -18.3312 -18.3312 -18.3291 -18.3291 -18.3143 -18.3143 -8.9231 -8.9231 -0.4840 -0.4840 -0.1334 -0.1334 2.1676 2.1676 2.1873 2.1873 2.6364 2.6364 2.9297 2.9297 2.9489 2.9489 3.4486 3.4486 3.7330 3.7330 9.0464 9.0464 10.6548 10.6548 10.9640 10.9640 10.9992 10.9992 k = 0.0071 0.0123-0.0000 ( 5605 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3572 -18.3572 -18.3311 -18.3311 -18.3291 -18.3291 -18.3143 -18.3143 -8.9234 -8.9234 -0.4844 -0.4844 -0.1343 -0.1343 2.1754 2.1754 2.1906 2.1906 2.6274 2.6274 2.9279 2.9279 2.9493 2.9493 3.4484 3.4484 3.7327 3.7327 9.0396 9.0396 10.6674 10.6674 10.9761 10.9761 11.0049 11.0049 k = 0.0000 0.0000 0.0000 ( 5593 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5025 -18.5025 -18.3571 -18.3571 -18.3310 -18.3310 -18.3292 -18.3292 -18.3143 -18.3143 -8.9236 -8.9236 -0.4844 -0.4844 -0.1345 -0.1345 2.1774 2.1774 2.1923 2.1923 2.6243 2.6243 2.9273 2.9273 2.9494 2.9494 3.4484 3.4484 3.7326 3.7326 9.0373 9.0373 10.6717 10.6717 10.9794 10.9794 11.0077 11.0077 k = 0.0000 0.0000 0.0000 ( 5593 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5025 -18.5025 -18.3571 -18.3571 -18.3310 -18.3310 -18.3292 -18.3292 -18.3143 -18.3143 -8.9236 -8.9236 -0.4844 -0.4844 -0.1345 -0.1345 2.1774 2.1774 2.1923 2.1923 2.6243 2.6243 2.9273 2.9273 2.9494 2.9494 3.4484 3.4484 3.7326 3.7326 9.0373 9.0373 10.6717 10.6717 10.9794 10.9794 11.0077 11.0077 k = 0.0000 0.0000 0.0141 ( 5605 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3572 -18.3572 -18.3311 -18.3311 -18.3292 -18.3292 -18.3143 -18.3143 -8.9233 -8.9233 -0.5163 -0.5163 -0.1014 -0.1014 2.1705 2.1705 2.1867 2.1867 2.6271 2.6271 2.9333 2.9333 2.9560 2.9560 3.4492 3.4492 3.7326 3.7326 9.0345 9.0345 10.6676 10.6676 10.9695 10.9695 10.9982 10.9982 k = 0.0000 0.0000 0.0283 ( 5605 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5253 -18.5253 -18.5026 -18.5026 -18.3571 -18.3571 -18.3311 -18.3311 -18.3291 -18.3291 -18.3143 -18.3143 -8.9225 -8.9225 -0.5900 -0.5900 -0.0237 -0.0237 2.1510 2.1510 2.1705 2.1705 2.6349 2.6349 2.9512 2.9512 2.9752 2.9752 3.4516 3.4516 3.7327 3.7327 9.0261 9.0261 10.6556 10.6556 10.9406 10.9406 10.9701 10.9701 k = 0.0000 0.0000 0.0424 ( 5606 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4622 -46.4622 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5252 -18.5252 -18.5027 -18.5027 -18.3571 -18.3571 -18.3312 -18.3312 -18.3291 -18.3291 -18.3143 -18.3143 -8.9211 -8.9211 -0.6800 -0.6800 0.0729 0.0729 2.1214 2.1214 2.1453 2.1453 2.6452 2.6452 2.9805 2.9805 3.0050 3.0050 3.4559 3.4559 3.7329 3.7329 9.0124 9.0124 10.6355 10.6355 10.8946 10.8946 10.9249 10.9249 k = 0.0000 0.0000 0.0565 ( 5600 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4621 -46.4621 -46.4587 -46.4587 -42.8346 -42.8346 -42.5459 -42.5459 -18.5251 -18.5251 -18.5027 -18.5027 -18.3569 -18.3569 -18.3313 -18.3313 -18.3290 -18.3290 -18.3144 -18.3144 -8.9192 -8.9192 -0.7757 -0.7757 0.1778 0.1778 2.0847 2.0847 2.1132 2.1132 2.6562 2.6562 3.0203 3.0203 3.0429 3.0429 3.4626 3.4626 3.7331 3.7331 8.9937 8.9937 10.6074 10.6074 10.8346 10.8346 10.8643 10.8643 k = 0.0000 0.0000 0.0706 ( 5594 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5250 -18.5250 -18.5028 -18.5028 -18.3568 -18.3568 -18.3314 -18.3314 -18.3290 -18.3290 -18.3144 -18.3144 -8.9167 -8.9167 -0.8727 -0.8727 0.2866 0.2866 2.0434 2.0434 2.0761 2.0761 2.6666 2.6666 3.0691 3.0691 3.0861 3.0861 3.4724 3.4724 3.7334 3.7334 8.9706 8.9706 10.5705 10.5705 10.7645 10.7645 10.7906 10.7906 k = 0.0000 0.0000 0.0848 ( 5594 PWs) bands (ev): -78.3271 -78.3271 -47.1685 -47.1685 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5249 -18.5249 -18.5030 -18.5030 -18.3567 -18.3567 -18.3316 -18.3316 -18.3289 -18.3289 -18.3145 -18.3145 -8.9138 -8.9138 -0.9694 -0.9694 0.3975 0.3975 1.9994 1.9994 2.0358 2.0358 2.6761 2.6761 3.1252 3.1252 3.1316 3.1316 3.4864 3.4864 3.7338 3.7338 8.9437 8.9437 10.5227 10.5227 10.6896 10.6896 10.7060 10.7060 k = 0.0000 0.0000 0.0989 ( 5618 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5248 -18.5248 -18.5032 -18.5032 -18.3566 -18.3566 -18.3318 -18.3318 -18.3289 -18.3289 -18.3146 -18.3146 -8.9105 -8.9105 -1.0648 -1.0648 0.5093 0.5093 1.9541 1.9541 1.9936 1.9936 2.6848 2.6848 3.1764 3.1764 3.1871 3.1871 3.5064 3.5064 3.7343 3.7343 8.9136 8.9136 10.4606 10.4606 10.6126 10.6126 10.6161 10.6161 k = 0.0000 0.0000 0.1130 ( 5618 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8346 -42.8346 -42.5459 -42.5459 -18.5246 -18.5246 -18.5033 -18.5033 -18.3564 -18.3564 -18.3321 -18.3321 -18.3288 -18.3288 -18.3147 -18.3147 -8.9066 -8.9066 -1.1582 -1.1582 0.6214 0.6214 1.9084 1.9084 1.9504 1.9504 2.6928 2.6928 3.2175 3.2175 3.2534 3.2534 3.5342 3.5342 3.7350 3.7350 8.8811 8.8811 10.3817 10.3817 10.5122 10.5122 10.5489 10.5489 k = 0.0000 0.0000 0.1271 ( 5624 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4621 -46.4621 -46.4588 -46.4588 -42.8347 -42.8347 -42.5459 -42.5459 -18.5245 -18.5245 -18.5036 -18.5036 -18.3562 -18.3562 -18.3323 -18.3323 -18.3287 -18.3287 -18.3149 -18.3149 -8.9025 -8.9025 -1.2492 -1.2492 0.7333 0.7333 1.8630 1.8630 1.9071 1.9071 2.7003 2.7003 3.2525 3.2525 3.3232 3.3232 3.5712 3.5712 3.7358 3.7358 8.8468 8.8468 10.2883 10.2883 10.4066 10.4066 10.4878 10.4878 k = 0.0000 0.0000 0.1413 ( 5612 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8346 -42.8346 -42.5459 -42.5459 -18.5243 -18.5243 -18.5037 -18.5037 -18.3560 -18.3560 -18.3325 -18.3325 -18.3285 -18.3285 -18.3149 -18.3149 -8.8979 -8.8979 -1.3376 -1.3376 0.8443 0.8443 1.8184 1.8184 1.8642 1.8642 2.7075 2.7075 3.2803 3.2803 3.3954 3.3954 3.6181 3.6181 3.7369 3.7369 8.8113 8.8113 10.1854 10.1854 10.2972 10.2972 10.4299 10.4299 k = 0.0000 0.0000 0.1554 ( 5612 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8346 -42.8346 -42.5459 -42.5459 -18.5240 -18.5240 -18.5039 -18.5039 -18.3557 -18.3557 -18.3328 -18.3328 -18.3284 -18.3284 -18.3150 -18.3150 -8.8931 -8.8931 -1.4230 -1.4230 0.9541 0.9541 1.7750 1.7750 1.8221 1.8221 2.7145 2.7145 3.3013 3.3013 3.4690 3.4690 3.6735 3.6735 3.7385 3.7385 8.7753 8.7753 10.0768 10.0768 10.1852 10.1852 10.3727 10.3727 k = 0.0000 0.0000 0.1695 ( 5612 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4589 -46.4589 -42.8346 -42.8346 -42.5459 -42.5459 -18.5238 -18.5238 -18.5042 -18.5042 -18.3555 -18.3555 -18.3331 -18.3331 -18.3283 -18.3283 -18.3152 -18.3152 -8.8880 -8.8880 -1.5053 -1.5053 1.0623 1.0623 1.7331 1.7331 1.7812 1.7812 2.7213 2.7213 3.3168 3.3168 3.5430 3.5430 3.7357 3.7357 3.7412 3.7412 8.7394 8.7394 9.9652 9.9652 10.0716 10.0716 10.3150 10.3150 k = 0.0000 0.0000 0.1836 ( 5624 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4590 -46.4590 -42.8347 -42.8347 -42.5459 -42.5459 -18.5236 -18.5236 -18.5044 -18.5044 -18.3553 -18.3553 -18.3335 -18.3335 -18.3281 -18.3281 -18.3153 -18.3153 -8.8827 -8.8827 -1.5843 -1.5843 1.1683 1.1683 1.6928 1.6928 1.7417 1.7417 2.7280 2.7280 3.3283 3.3283 3.6150 3.6150 3.7466 3.7466 3.8028 3.8028 8.7041 8.7041 9.8523 9.8523 9.9575 9.9575 10.2563 10.2563 k = 0.0000 0.0000 0.1978 ( 5636 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4620 -46.4620 -46.4590 -46.4590 -42.8347 -42.8347 -42.5459 -42.5459 -18.5234 -18.5234 -18.5048 -18.5048 -18.3550 -18.3550 -18.3338 -18.3338 -18.3280 -18.3280 -18.3155 -18.3155 -8.8773 -8.8773 -1.6597 -1.6597 1.2717 1.2717 1.6544 1.6544 1.7038 1.7038 2.7346 2.7346 3.3370 3.3370 3.6775 3.6775 3.7619 3.7619 3.8731 3.8731 8.6699 8.6699 9.7393 9.7393 9.8437 9.8437 10.1966 10.1966 k = 0.0000 0.0000 0.2119 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4590 -46.4590 -42.8348 -42.8348 -42.5459 -42.5459 -18.5231 -18.5231 -18.5051 -18.5051 -18.3547 -18.3547 -18.3342 -18.3342 -18.3278 -18.3278 -18.3156 -18.3156 -8.8717 -8.8717 -1.7314 -1.7314 1.3719 1.3719 1.6183 1.6183 1.6677 1.6677 2.7410 2.7410 3.3436 3.3436 3.7116 3.7116 3.8054 3.8054 3.9453 3.9453 8.6372 8.6372 9.6273 9.6273 9.7310 9.7310 10.1360 10.1360 k = 0.0000 0.0000 0.2260 ( 5648 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4591 -46.4591 -42.8348 -42.8348 -42.5459 -42.5459 -18.5229 -18.5229 -18.5054 -18.5054 -18.3544 -18.3544 -18.3346 -18.3346 -18.3277 -18.3277 -18.3158 -18.3158 -8.8662 -8.8662 -1.7992 -1.7992 1.4674 1.4674 1.5855 1.5855 1.6336 1.6336 2.7473 2.7473 3.3487 3.3487 3.7226 3.7226 3.8714 3.8714 4.0183 4.0183 8.6064 8.6064 9.5173 9.5173 9.6201 9.6201 10.0748 10.0748 k = 0.0000 0.0000 0.2401 ( 5648 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4591 -46.4591 -42.8348 -42.8348 -42.5459 -42.5459 -18.5226 -18.5226 -18.5057 -18.5057 -18.3541 -18.3541 -18.3350 -18.3350 -18.3275 -18.3275 -18.3160 -18.3160 -8.8607 -8.8607 -1.8631 -1.8631 1.5354 1.5354 1.5786 1.5786 1.6015 1.6015 2.7533 2.7533 3.3528 3.3528 3.7269 3.7269 3.9429 3.9429 4.0912 4.0912 8.5778 8.5778 9.4099 9.4099 9.5120 9.5120 10.0136 10.0136 k = 0.0000 0.0000 0.2543 ( 5660 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4619 -46.4619 -46.4591 -46.4591 -42.8348 -42.8348 -42.5459 -42.5459 -18.5223 -18.5223 -18.5060 -18.5060 -18.3538 -18.3538 -18.3354 -18.3354 -18.3274 -18.3274 -18.3162 -18.3162 -8.8553 -8.8553 -1.9227 -1.9227 1.5161 1.5161 1.5715 1.5715 1.6568 1.6568 2.7590 2.7590 3.3560 3.3560 3.7291 3.7291 4.0146 4.0146 4.1632 4.1632 8.5516 8.5516 9.3059 9.3059 9.4072 9.4072 9.9526 9.9526 k = 0.0000 0.0000 0.2684 ( 5654 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4591 -46.4591 -42.8348 -42.8348 -42.5459 -42.5459 -18.5220 -18.5220 -18.5063 -18.5063 -18.3534 -18.3534 -18.3357 -18.3357 -18.3272 -18.3272 -18.3164 -18.3164 -8.8500 -8.8500 -1.9781 -1.9781 1.4893 1.4893 1.5436 1.5436 1.7401 1.7401 2.7644 2.7644 3.3587 3.3587 3.7306 3.7306 4.0850 4.0850 4.2336 4.2336 8.5281 8.5281 9.2062 9.2062 9.3065 9.3065 9.8925 9.8925 k = 0.0000 0.0000 0.2825 ( 5660 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4592 -46.4592 -42.8348 -42.8348 -42.5459 -42.5459 -18.5217 -18.5217 -18.5066 -18.5066 -18.3531 -18.3531 -18.3362 -18.3362 -18.3270 -18.3270 -18.3165 -18.3165 -8.8450 -8.8450 -2.0292 -2.0292 1.4640 1.4640 1.5181 1.5181 1.8190 1.8190 2.7693 2.7693 3.3609 3.3609 3.7316 3.7316 4.1528 4.1528 4.3016 4.3016 8.5073 8.5073 9.1115 9.1115 9.2106 9.2106 9.8339 9.8339 k = 0.0000 0.0000 0.2966 ( 5660 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4618 -46.4618 -46.4592 -46.4592 -42.8348 -42.8348 -42.5459 -42.5459 -18.5214 -18.5214 -18.5069 -18.5069 -18.3527 -18.3527 -18.3365 -18.3365 -18.3269 -18.3269 -18.3167 -18.3167 -8.8403 -8.8403 -2.0757 -2.0757 1.4408 1.4408 1.4948 1.4948 1.8925 1.8925 2.7738 2.7738 3.3628 3.3628 3.7324 3.7324 4.2174 4.2174 4.3665 4.3665 8.4893 8.4893 9.0226 9.0226 9.1205 9.1205 9.7775 9.7775 k = 0.0000 0.0000 0.3108 ( 5660 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5459 -42.5459 -18.5211 -18.5211 -18.5072 -18.5072 -18.3524 -18.3524 -18.3368 -18.3368 -18.3268 -18.3268 -18.3169 -18.3169 -8.8358 -8.8358 -2.1176 -2.1176 1.4199 1.4199 1.4739 1.4739 1.9600 1.9600 2.7779 2.7779 3.3643 3.3643 3.7330 3.7330 4.2779 4.2779 4.4274 4.4274 8.4740 8.4740 8.9402 8.9402 9.0367 9.0367 9.7240 9.7240 k = 0.0000 0.0000 0.3249 ( 5654 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4617 -46.4617 -46.4592 -46.4592 -42.8348 -42.8348 -42.5459 -42.5459 -18.5209 -18.5209 -18.5074 -18.5074 -18.3521 -18.3521 -18.3371 -18.3371 -18.3266 -18.3266 -18.3170 -18.3170 -8.8318 -8.8318 -2.1549 -2.1549 1.4014 1.4014 1.4554 1.4554 2.0209 2.0209 2.7814 2.7814 3.3655 3.3655 3.7335 3.7335 4.3336 4.3336 4.4837 4.4837 8.4613 8.4613 8.8651 8.8651 8.9602 8.9602 9.6741 9.6741 k = 0.0000 0.0000 0.3390 ( 5654 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4617 -46.4617 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5206 -18.5206 -18.5077 -18.5077 -18.3518 -18.3518 -18.3374 -18.3374 -18.3265 -18.3265 -18.3171 -18.3171 -8.8282 -8.8282 -2.1873 -2.1873 1.3852 1.3852 1.4393 1.4393 2.0749 2.0749 2.7843 2.7843 3.3666 3.3666 3.7340 3.7340 4.3839 4.3839 4.5345 4.5345 8.4511 8.4511 8.7982 8.7982 8.8918 8.8918 9.6285 9.6285 k = 0.0000 0.0000 0.3531 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4617 -46.4617 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5203 -18.5203 -18.5079 -18.5079 -18.3515 -18.3515 -18.3377 -18.3377 -18.3263 -18.3263 -18.3172 -18.3172 -8.8250 -8.8250 -2.2149 -2.2149 1.3715 1.3715 1.4256 1.4256 2.1214 2.1214 2.7867 2.7867 3.3674 3.3674 3.7343 3.7343 4.4279 4.4279 4.5792 4.5792 8.4430 8.4430 8.7402 8.7402 8.8323 8.8323 9.5883 9.5883 k = 0.0000 0.0000 0.3673 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4617 -46.4617 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5202 -18.5202 -18.5081 -18.5081 -18.3513 -18.3513 -18.3379 -18.3379 -18.3262 -18.3262 -18.3173 -18.3173 -8.8224 -8.8224 -2.2375 -2.2375 1.3603 1.3603 1.4144 1.4144 2.1602 2.1602 2.7885 2.7885 3.3681 3.3681 3.7346 3.7346 4.4650 4.4650 4.6169 4.6169 8.4367 8.4367 8.6919 8.6919 8.7823 8.7823 9.5540 9.5540 k = 0.0000 0.0000 0.3814 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5200 -18.5200 -18.5082 -18.5082 -18.3511 -18.3511 -18.3381 -18.3381 -18.3261 -18.3261 -18.3174 -18.3174 -8.8204 -8.8204 -2.2552 -2.2552 1.3516 1.3516 1.4057 1.4057 2.1907 2.1907 2.7899 2.7899 3.3686 3.3686 3.7348 3.7348 4.4946 4.4946 4.6469 4.6469 8.4321 8.4321 8.6537 8.6537 8.7427 8.7427 9.5264 9.5264 k = 0.0000 0.0000 0.3955 ( 5618 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5082 -18.5082 -18.3509 -18.3509 -18.3382 -18.3382 -18.3261 -18.3261 -18.3174 -18.3174 -8.8189 -8.8189 -2.2678 -2.2678 1.3453 1.3453 1.3995 1.3995 2.2128 2.2128 2.7908 2.7908 3.3690 3.3690 3.7350 3.7350 4.5162 4.5162 4.6689 4.6689 8.4288 8.4288 8.6263 8.6263 8.7139 8.7139 9.5062 9.5062 k = 0.0000 0.0000 0.4096 ( 5630 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5083 -18.5083 -18.3509 -18.3509 -18.3383 -18.3383 -18.3260 -18.3260 -18.3175 -18.3175 -8.8180 -8.8180 -2.2754 -2.2754 1.3416 1.3416 1.3957 1.3957 2.2261 2.2261 2.7913 2.7913 3.3692 3.3692 3.7350 3.7350 4.5293 4.5293 4.6822 4.6822 8.4268 8.4268 8.6098 8.6098 8.6964 8.6964 9.4939 9.4939 k = 0.0000 0.0000 0.4238 ( 5630 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3259 -18.3259 -18.3175 -18.3175 -8.8177 -8.8177 -2.2779 -2.2779 1.3403 1.3403 1.3945 1.3945 2.2305 2.2305 2.7915 2.7915 3.3693 3.3693 3.7351 3.7351 4.5336 4.5336 4.6867 4.6867 8.4262 8.4262 8.6043 8.6043 8.6906 8.6906 9.4897 9.4897 k = 0.0000 0.0000 0.4238 ( 5630 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3259 -18.3259 -18.3175 -18.3175 -8.8177 -8.8177 -2.2779 -2.2779 1.3403 1.3403 1.3945 1.3945 2.2305 2.2305 2.7915 2.7915 3.3693 3.3693 3.7351 3.7351 4.5336 4.5336 4.6867 4.6867 8.4262 8.4262 8.6043 8.6043 8.6906 8.6906 9.4897 9.4897 k = 0.0122 0.0070 0.4238 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3260 -18.3260 -18.3175 -18.3175 -8.8176 -8.8176 -2.2777 -2.2777 1.3396 1.3396 1.3937 1.3937 2.2314 2.2314 2.7926 2.7926 3.3693 3.3693 3.7352 3.7352 4.5334 4.5334 4.6864 4.6864 8.4283 8.4283 8.6006 8.6006 8.6868 8.6868 9.4944 9.4944 k = 0.0244 0.0141 0.4238 ( 5638 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3260 -18.3260 -18.3175 -18.3175 -8.8172 -8.8172 -2.2771 -2.2771 1.3374 1.3374 1.3916 1.3916 2.2341 2.2341 2.7958 2.7958 3.3696 3.3696 3.7355 3.7355 4.5327 4.5327 4.6857 4.6857 8.4344 8.4344 8.5886 8.5886 8.6768 8.6768 9.5080 9.5080 k = 0.0366 0.0211 0.4238 ( 5654 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5199 -18.5199 -18.5085 -18.5085 -18.3509 -18.3509 -18.3385 -18.3385 -18.3260 -18.3260 -18.3176 -18.3176 -8.8167 -8.8167 -2.2760 -2.2760 1.3334 1.3334 1.3882 1.3882 2.2384 2.2384 2.8011 2.8011 3.3700 3.3700 3.7359 3.7359 4.5314 4.5314 4.6846 4.6846 8.4442 8.4442 8.5667 8.5667 8.6641 8.6641 9.5294 9.5294 k = 0.0488 0.0282 0.4238 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5085 -18.5085 -18.3509 -18.3509 -18.3386 -18.3386 -18.3260 -18.3260 -18.3176 -18.3176 -8.8159 -8.8159 -2.2745 -2.2745 1.3276 1.3276 1.3842 1.3842 2.2444 2.2444 2.8085 2.8085 3.3706 3.3706 3.7367 3.7367 4.5297 4.5297 4.6830 4.6830 8.4558 8.4558 8.5352 8.5352 8.6516 8.6516 9.5571 9.5571 k = 0.0610 0.0352 0.4238 ( 5646 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5086 -18.5086 -18.3509 -18.3509 -18.3387 -18.3387 -18.3259 -18.3259 -18.3176 -18.3176 -8.8149 -8.8149 -2.2726 -2.2726 1.3195 1.3195 1.3798 1.3798 2.2517 2.2517 2.8180 2.8180 3.3713 3.3713 3.7376 3.7376 4.5275 4.5275 4.6810 4.6810 8.4558 8.4558 8.5082 8.5082 8.6401 8.6401 9.5894 9.5894 k = 0.0732 0.0422 0.4238 ( 5650 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5087 -18.5087 -18.3509 -18.3509 -18.3389 -18.3389 -18.3259 -18.3259 -18.3177 -18.3177 -8.8137 -8.8137 -2.2703 -2.2703 1.3090 1.3090 1.3755 1.3755 2.2604 2.2604 2.8296 2.8296 3.3722 3.3722 3.7389 3.7389 4.5248 4.5248 4.6786 4.6786 8.4159 8.4159 8.5161 8.5161 8.6291 8.6291 9.6249 9.6249 k = 0.0854 0.0493 0.4238 ( 5648 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5088 -18.5088 -18.3509 -18.3509 -18.3390 -18.3390 -18.3258 -18.3258 -18.3177 -18.3177 -8.8123 -8.8123 -2.2676 -2.2676 1.2962 1.2962 1.3713 1.3713 2.2702 2.2702 2.8432 2.8432 3.3733 3.3733 3.7404 3.7404 4.5216 4.5216 4.6759 4.6759 8.3565 8.3565 8.5396 8.5396 8.6186 8.6186 9.6626 9.6626 k = 0.0976 0.0563 0.4238 ( 5660 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5090 -18.5090 -18.3510 -18.3510 -18.3393 -18.3393 -18.3257 -18.3257 -18.3179 -18.3179 -8.8107 -8.8107 -2.2645 -2.2645 1.2812 1.2812 1.3674 1.3674 2.2810 2.2810 2.8589 2.8589 3.3745 3.3745 3.7422 3.7422 4.5181 4.5181 4.6728 4.6728 8.2890 8.2890 8.5660 8.5660 8.6106 8.6106 9.7016 9.7016 k = 0.1098 0.0634 0.4238 ( 5668 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5091 -18.5091 -18.3510 -18.3510 -18.3395 -18.3395 -18.3257 -18.3257 -18.3180 -18.3180 -8.8090 -8.8090 -2.2610 -2.2610 1.2643 1.2643 1.3637 1.3637 2.2926 2.2926 2.8765 2.8765 3.3759 3.3759 3.7443 3.7443 4.5140 4.5140 4.6696 4.6696 8.2161 8.2161 8.5784 8.5784 8.6203 8.6203 9.7412 9.7412 k = 0.1220 0.0704 0.4238 ( 5668 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5093 -18.5093 -18.3510 -18.3510 -18.3397 -18.3397 -18.3256 -18.3256 -18.3180 -18.3180 -8.8070 -8.8070 -2.2573 -2.2573 1.2458 1.2458 1.3601 1.3601 2.3048 2.3048 2.8960 2.8960 3.3775 3.3775 3.7468 3.7468 4.5096 4.5096 4.6661 4.6661 8.1388 8.1388 8.5700 8.5700 8.6538 8.6538 9.7811 9.7811 k = 0.1341 0.0774 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5200 -18.5200 -18.5094 -18.5094 -18.3511 -18.3511 -18.3400 -18.3400 -18.3255 -18.3255 -18.3181 -18.3181 -8.8049 -8.8049 -2.2532 -2.2532 1.2260 1.2260 1.3566 1.3566 2.3174 2.3174 2.9173 2.9173 3.3793 3.3793 3.7497 3.7497 4.5048 4.5048 4.6625 4.6625 8.0579 8.0579 8.5563 8.5563 8.6952 8.6952 9.8208 9.8208 k = 0.1463 0.0845 0.4238 ( 5680 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5461 -42.5461 -18.5200 -18.5200 -18.5096 -18.5096 -18.3511 -18.3511 -18.3403 -18.3403 -18.3254 -18.3254 -18.3182 -18.3182 -8.8027 -8.8027 -2.2489 -2.2489 1.2051 1.2051 1.3531 1.3531 2.3304 2.3304 2.9403 2.9403 3.3814 3.3814 3.7530 3.7530 4.4997 4.4997 4.6588 4.6588 7.9739 7.9739 8.5407 8.5407 8.7408 8.7408 9.8602 9.8602 k = 0.1585 0.0915 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5098 -18.5098 -18.3511 -18.3511 -18.3406 -18.3406 -18.3253 -18.3253 -18.3184 -18.3184 -8.8003 -8.8003 -2.2442 -2.2442 1.1833 1.1833 1.3496 1.3496 2.3436 2.3436 2.9649 2.9649 3.3838 3.3838 3.7568 3.7568 4.4943 4.4943 4.6550 4.6550 7.8872 7.8872 8.5239 8.5239 8.7898 8.7898 9.8991 9.8991 k = 0.1707 0.0986 0.4238 ( 5682 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5100 -18.5100 -18.3511 -18.3511 -18.3409 -18.3409 -18.3252 -18.3252 -18.3184 -18.3184 -8.7978 -8.7978 -2.2394 -2.2394 1.1610 1.1610 1.3460 1.3460 2.3569 2.3569 2.9910 2.9910 3.3867 3.3867 3.7610 3.7610 4.4886 4.4886 4.6512 4.6512 7.7982 7.7982 8.5062 8.5062 8.8417 8.8417 9.9375 9.9375 k = 0.1829 0.1056 0.4238 ( 5678 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5102 -18.5102 -18.3511 -18.3511 -18.3412 -18.3412 -18.3251 -18.3251 -18.3185 -18.3185 -8.7952 -8.7952 -2.2343 -2.2343 1.1382 1.1382 1.3424 1.3424 2.3702 2.3702 3.0182 3.0182 3.3902 3.3902 3.7657 3.7657 4.4827 4.4827 4.6473 4.6473 7.7071 7.7071 8.4878 8.4878 8.8963 8.8963 9.9753 9.9753 k = 0.1951 0.1127 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5104 -18.5104 -18.3512 -18.3512 -18.3415 -18.3415 -18.3250 -18.3250 -18.3186 -18.3186 -8.7924 -8.7924 -2.2291 -2.2291 1.1151 1.1151 1.3388 1.3388 2.3834 2.3834 3.0464 3.0464 3.3946 3.3946 3.7709 3.7709 4.4767 4.4767 4.6435 4.6435 7.6143 7.6143 8.4686 8.4686 8.9531 8.9531 10.0124 10.0124 k = 0.2073 0.1197 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5106 -18.5106 -18.3512 -18.3512 -18.3418 -18.3418 -18.3250 -18.3250 -18.3187 -18.3187 -8.7896 -8.7896 -2.2237 -2.2237 1.0919 1.0919 1.3352 1.3352 2.3964 2.3964 3.0750 3.0750 3.4002 3.4002 3.7766 3.7766 4.4705 4.4705 4.6397 4.6397 7.5198 7.5198 8.4489 8.4489 9.0118 9.0118 10.0489 10.0489 k = 0.2195 0.1267 0.4238 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5109 -18.5109 -18.3512 -18.3512 -18.3421 -18.3421 -18.3249 -18.3249 -18.3188 -18.3188 -8.7868 -8.7868 -2.2182 -2.2182 1.0687 1.0687 1.3315 1.3315 2.4091 2.4091 3.1036 3.1036 3.4075 3.4075 3.7829 3.7829 4.4643 4.4643 4.6360 4.6360 7.4241 7.4241 8.4288 8.4288 9.0722 9.0722 10.0848 10.0848 k = 0.2317 0.1338 0.4238 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5462 -42.5462 -18.5200 -18.5200 -18.5111 -18.5111 -18.3512 -18.3512 -18.3424 -18.3424 -18.3248 -18.3248 -18.3189 -18.3189 -8.7839 -8.7839 -2.2126 -2.2126 1.0457 1.0457 1.3278 1.3278 2.4216 2.4216 3.1316 3.1316 3.4171 3.4171 3.7897 3.7897 4.4582 4.4582 4.6323 4.6323 7.3274 7.3274 8.4083 8.4083 9.1339 9.1339 10.1202 10.1202 k = 0.2439 0.1408 0.4238 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5200 -18.5200 -18.5113 -18.5113 -18.3512 -18.3512 -18.3427 -18.3427 -18.3248 -18.3248 -18.3190 -18.3190 -8.7810 -8.7810 -2.2070 -2.2070 1.0230 1.0230 1.3241 1.3241 2.4336 2.4336 3.1579 3.1579 3.4296 3.4296 3.7971 3.7971 4.4521 4.4521 4.6288 4.6288 7.2297 7.2297 8.3877 8.3877 9.1966 9.1966 10.1551 10.1551 k = 0.2561 0.1479 0.4238 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4614 -46.4614 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5200 -18.5200 -18.5116 -18.5116 -18.3512 -18.3512 -18.3430 -18.3430 -18.3247 -18.3247 -18.3192 -18.3192 -8.7780 -8.7780 -2.2013 -2.2013 1.0007 1.0007 1.3204 1.3204 2.4453 2.4453 3.1819 3.1819 3.4458 3.4458 3.8051 3.8051 4.4461 4.4461 4.6254 4.6254 7.1315 7.1315 8.3670 8.3670 9.2599 9.2599 10.1895 10.1895 k = 0.2683 0.1549 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5118 -18.5118 -18.3512 -18.3512 -18.3433 -18.3433 -18.3246 -18.3246 -18.3192 -18.3192 -8.7751 -8.7751 -2.1957 -2.1957 0.9789 0.9789 1.3168 1.3168 2.4566 2.4566 3.2027 3.2027 3.4663 3.4663 3.8139 3.8139 4.4403 4.4403 4.6221 4.6221 7.0328 7.0328 8.3464 8.3464 9.3235 9.3235 10.2235 10.2235 k = 0.2805 0.1619 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5121 -18.5121 -18.3512 -18.3512 -18.3436 -18.3436 -18.3246 -18.3246 -18.3193 -18.3193 -8.7722 -8.7722 -2.1901 -2.1901 0.9576 0.9576 1.3132 1.3132 2.4673 2.4673 3.2200 3.2200 3.4913 3.4913 3.8235 3.8235 4.4348 4.4348 4.6189 4.6189 6.9339 6.9339 8.3259 8.3259 9.3868 9.3868 10.2571 10.2571 k = 0.2927 0.1690 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5123 -18.5123 -18.3512 -18.3512 -18.3439 -18.3439 -18.3246 -18.3246 -18.3194 -18.3194 -8.7693 -8.7693 -2.1846 -2.1846 0.9370 0.9370 1.3096 1.3096 2.4776 2.4776 3.2335 3.2335 3.5205 3.5205 3.8340 3.8340 4.4297 4.4297 4.6159 4.6159 6.8351 6.8351 8.3057 8.3057 9.4497 9.4497 10.2904 10.2904 k = 0.3049 0.1760 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5198 -18.5198 -18.5126 -18.5126 -18.3511 -18.3511 -18.3442 -18.3442 -18.3245 -18.3245 -18.3195 -18.3195 -8.7665 -8.7665 -2.1792 -2.1792 0.9173 0.9173 1.3062 1.3062 2.4874 2.4874 3.2438 3.2438 3.5531 3.5531 3.8458 3.8458 4.4250 4.4250 4.6130 4.6130 6.7366 6.7366 8.2859 8.2859 9.5117 9.5117 10.3231 10.3231 k = 0.3171 0.1831 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5198 -18.5198 -18.5128 -18.5128 -18.3511 -18.3511 -18.3445 -18.3445 -18.3244 -18.3244 -18.3195 -18.3195 -8.7637 -8.7637 -2.1740 -2.1740 0.8983 0.8983 1.3029 1.3029 2.4966 2.4966 3.2514 3.2514 3.5880 3.5880 3.8591 3.8591 4.4208 4.4208 4.6103 4.6103 6.6387 6.6387 8.2666 8.2666 9.5723 9.5723 10.3554 10.3554 k = 0.3293 0.1901 0.4238 ( 5672 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5197 -18.5197 -18.5130 -18.5130 -18.3511 -18.3511 -18.3447 -18.3447 -18.3244 -18.3244 -18.3196 -18.3196 -8.7611 -8.7611 -2.1690 -2.1690 0.8802 0.8802 1.2997 1.2997 2.5052 2.5052 3.2568 3.2568 3.6238 3.6238 3.8746 3.8746 4.4173 4.4173 4.6078 4.6078 6.5417 6.5417 8.2479 8.2479 9.6312 9.6312 10.3870 10.3870 k = 0.3415 0.1971 0.4238 ( 5670 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5196 -18.5196 -18.5132 -18.5132 -18.3510 -18.3510 -18.3450 -18.3450 -18.3244 -18.3244 -18.3197 -18.3197 -8.7585 -8.7585 -2.1641 -2.1641 0.8632 0.8632 1.2966 1.2966 2.5133 2.5133 3.2606 3.2606 3.6590 3.6590 3.8929 3.8929 4.4145 4.4145 4.6054 4.6054 6.4460 6.4460 8.2300 8.2300 9.6881 9.6881 10.4176 10.4176 k = 0.3537 0.2042 0.4238 ( 5666 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5462 -42.5462 -18.5196 -18.5196 -18.5135 -18.5135 -18.3510 -18.3510 -18.3452 -18.3452 -18.3244 -18.3244 -18.3197 -18.3197 -8.7561 -8.7561 -2.1595 -2.1595 0.8471 0.8471 1.2937 1.2937 2.5209 2.5209 3.2631 3.2631 3.6919 3.6919 3.9147 3.9147 4.4127 4.4127 4.6032 4.6032 6.3518 6.3518 8.2130 8.2130 9.7425 9.7425 10.4470 10.4470 k = 0.3659 0.2112 0.4238 ( 5670 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5462 -42.5462 -18.5195 -18.5195 -18.5137 -18.5137 -18.3510 -18.3510 -18.3455 -18.3455 -18.3244 -18.3244 -18.3198 -18.3198 -8.7538 -8.7538 -2.1552 -2.1552 0.8321 0.8321 1.2910 1.2910 2.5278 2.5278 3.2647 3.2647 3.7213 3.7213 3.9406 3.9406 4.4119 4.4119 4.6011 4.6011 6.2595 6.2595 8.1968 8.1968 9.7941 9.7941 10.4747 10.4747 k = 0.3780 0.2183 0.4238 ( 5678 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5195 -18.5195 -18.5140 -18.5140 -18.3509 -18.3509 -18.3458 -18.3458 -18.3243 -18.3243 -18.3199 -18.3199 -8.7517 -8.7517 -2.1511 -2.1511 0.8183 0.8183 1.2884 1.2884 2.5341 2.5341 3.2656 3.2656 3.7463 3.7463 3.9706 3.9706 4.4125 4.4125 4.5992 4.5992 6.1698 6.1698 8.1818 8.1818 9.8427 9.8427 10.4999 10.4999 k = 0.3902 0.2253 0.4238 ( 5668 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5194 -18.5194 -18.5141 -18.5141 -18.3509 -18.3509 -18.3459 -18.3459 -18.3243 -18.3243 -18.3200 -18.3200 -8.7497 -8.7497 -2.1474 -2.1474 0.8057 0.8057 1.2861 1.2861 2.5399 2.5399 3.2660 3.2660 3.7668 3.7668 4.0038 4.0038 4.4148 4.4148 4.5976 4.5976 6.0831 6.0831 8.1678 8.1678 9.8879 9.8879 10.5222 10.5222 k = 0.4024 0.2323 0.4238 ( 5670 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5144 -18.5144 -18.3508 -18.3508 -18.3462 -18.3462 -18.3243 -18.3243 -18.3200 -18.3200 -8.7479 -8.7479 -2.1440 -2.1440 0.7942 0.7942 1.2839 1.2839 2.5451 2.5451 3.2661 3.2661 3.7832 3.7832 4.0385 4.0385 4.4191 4.4191 4.5961 4.5961 6.0002 6.0002 8.1551 8.1551 9.9295 9.9295 10.5407 10.5407 k = 0.4146 0.2394 0.4238 ( 5674 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4610 -46.4610 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5192 -18.5192 -18.5146 -18.5146 -18.3508 -18.3508 -18.3464 -18.3464 -18.3243 -18.3243 -18.3201 -18.3201 -8.7463 -8.7463 -2.1409 -2.1409 0.7841 0.7841 1.2820 1.2820 2.5496 2.5496 3.2659 3.2659 3.7962 3.7962 4.0730 4.0730 4.4257 4.4257 4.5949 4.5949 5.9218 5.9218 8.1437 8.1437 9.9673 9.9673 10.5550 10.5550 k = 0.4268 0.2464 0.4238 ( 5680 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5192 -18.5192 -18.5147 -18.5147 -18.3508 -18.3508 -18.3465 -18.3465 -18.3244 -18.3244 -18.3201 -18.3201 -8.7449 -8.7449 -2.1382 -2.1382 0.7752 0.7752 1.2803 1.2803 2.5536 2.5536 3.2657 3.2657 3.8064 3.8064 4.1053 4.1053 4.4348 4.4348 4.5939 4.5939 5.8491 5.8491 8.1337 8.1337 10.0009 10.0009 10.5650 10.5650 k = 0.4390 0.2535 0.4238 ( 5676 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5191 -18.5191 -18.5149 -18.5149 -18.3507 -18.3507 -18.3467 -18.3467 -18.3243 -18.3243 -18.3202 -18.3202 -8.7437 -8.7437 -2.1359 -2.1359 0.7676 0.7676 1.2789 1.2789 2.5569 2.5569 3.2653 3.2653 3.8145 3.8145 4.1337 4.1337 4.4463 4.4463 4.5931 4.5931 5.7832 5.7832 8.1251 8.1251 10.0302 10.0302 10.5709 10.5709 k = 0.4512 0.2605 0.4238 ( 5668 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5190 -18.5190 -18.5150 -18.5150 -18.3507 -18.3507 -18.3468 -18.3468 -18.3243 -18.3243 -18.3202 -18.3202 -8.7426 -8.7426 -2.1340 -2.1340 0.7615 0.7615 1.2777 1.2777 2.5596 2.5596 3.2650 3.2650 3.8208 3.8208 4.1572 4.1572 4.4594 4.4594 4.5926 4.5926 5.7256 5.7256 8.1180 8.1180 10.0548 10.0548 10.5735 10.5735 k = 0.4634 0.2676 0.4238 ( 5666 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5189 -18.5189 -18.5151 -18.5151 -18.3506 -18.3506 -18.3469 -18.3469 -18.3243 -18.3243 -18.3202 -18.3202 -8.7419 -8.7419 -2.1325 -2.1325 0.7566 0.7566 1.2768 1.2768 2.5618 2.5618 3.2647 3.2647 3.8254 3.8254 4.1751 4.1751 4.4728 4.4728 4.5924 4.5924 5.6781 5.6781 8.1124 8.1124 10.0744 10.0744 10.5740 10.5740 k = 0.4756 0.2746 0.4238 ( 5656 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5189 -18.5189 -18.5152 -18.5152 -18.3506 -18.3506 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7413 -8.7413 -2.1315 -2.1315 0.7531 0.7531 1.2761 1.2761 2.5633 2.5633 3.2645 3.2645 3.8286 3.8286 4.1875 4.1875 4.4845 4.4845 4.5924 4.5924 5.6424 5.6424 8.1084 8.1084 10.0888 10.0888 10.5734 10.5734 k = 0.4878 0.2816 0.4238 ( 5654 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5152 -18.5152 -18.3505 -18.3505 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7409 -8.7409 -2.1308 -2.1308 0.7510 0.7510 1.2757 1.2757 2.5642 2.5642 3.2644 3.2644 3.8305 3.8305 4.1948 4.1948 4.4924 4.4924 4.5924 4.5924 5.6202 5.6202 8.1060 8.1060 10.0975 10.0975 10.5726 10.5726 k = 0.5000 0.2887 0.4238 ( 5660 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7408 -8.7408 -2.1306 -2.1306 0.7503 0.7503 1.2756 1.2756 2.5645 2.5645 3.2643 3.2643 3.8311 3.8311 4.1971 4.1971 4.4952 4.4952 4.5924 4.5924 5.6127 5.6127 8.1052 8.1052 10.1004 10.1004 10.5722 10.5722 k = 0.5000 0.2887 0.4238 ( 5660 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7408 -8.7408 -2.1306 -2.1306 0.7503 0.7503 1.2756 1.2756 2.5645 2.5645 3.2643 3.2643 3.8311 3.8311 4.1971 4.1971 4.4952 4.4952 4.5924 4.5924 5.6127 5.6127 8.1052 8.1052 10.1004 10.1004 10.5722 10.5722 k = 0.4931 0.3007 0.4238 ( 5656 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7408 -8.7408 -2.1305 -2.1305 0.7508 0.7508 1.2747 1.2747 2.5647 2.5647 3.2649 3.2649 3.8307 3.8307 4.1970 4.1970 4.4953 4.4953 4.5922 4.5922 5.6146 5.6146 8.1000 8.1000 10.1030 10.1030 10.5748 10.5748 k = 0.4861 0.3127 0.4238 ( 5654 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3469 -18.3469 -18.3243 -18.3243 -18.3202 -18.3202 -8.7407 -8.7407 -2.1303 -2.1303 0.7521 0.7521 1.2722 1.2722 2.5653 2.5653 3.2667 3.2667 3.8294 3.8294 4.1968 4.1968 4.4954 4.4954 4.5914 4.5914 5.6205 5.6205 8.0844 8.0844 10.1107 10.1107 10.5823 10.5823 k = 0.4792 0.3248 0.4238 ( 5660 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3507 -18.3507 -18.3468 -18.3468 -18.3244 -18.3244 -18.3202 -18.3202 -8.7405 -8.7405 -2.1300 -2.1300 0.7542 0.7542 1.2679 1.2679 2.5662 2.5662 3.2696 3.2696 3.8273 3.8273 4.1964 4.1964 4.4956 4.4956 4.5900 4.5900 5.6302 5.6302 8.0589 8.0589 10.1234 10.1234 10.5945 10.5945 k = 0.4722 0.3368 0.4238 ( 5668 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3508 -18.3508 -18.3467 -18.3467 -18.3245 -18.3245 -18.3201 -18.3201 -8.7403 -8.7403 -2.1296 -2.1296 0.7571 0.7571 1.2620 1.2620 2.5674 2.5674 3.2736 3.2736 3.8244 3.8244 4.1958 4.1958 4.4959 4.4959 4.5882 4.5882 5.6438 5.6438 8.0239 8.0239 10.1411 10.1411 10.6107 10.6107 k = 0.4653 0.3488 0.4238 ( 5676 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5154 -18.5154 -18.3510 -18.3510 -18.3466 -18.3466 -18.3246 -18.3246 -18.3201 -18.3201 -8.7400 -8.7400 -2.1290 -2.1290 0.7609 0.7609 1.2545 1.2545 2.5690 2.5690 3.2786 3.2786 3.8208 3.8208 4.1951 4.1951 4.4963 4.4963 4.5859 4.5859 5.6611 5.6611 7.9802 7.9802 10.1635 10.1635 10.6304 10.6304 k = 0.4583 0.3608 0.4238 ( 5684 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5155 -18.5155 -18.3512 -18.3512 -18.3465 -18.3465 -18.3248 -18.3248 -18.3201 -18.3201 -8.7396 -8.7396 -2.1283 -2.1283 0.7655 0.7655 1.2455 1.2455 2.5709 2.5709 3.2847 3.2847 3.8166 3.8166 4.1943 4.1943 4.4967 4.4967 4.5832 4.5832 5.6820 5.6820 7.9285 7.9285 10.1904 10.1904 10.6527 10.6527 k = 0.4514 0.3729 0.4238 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5155 -18.5155 -18.3513 -18.3513 -18.3463 -18.3463 -18.3249 -18.3249 -18.3200 -18.3200 -8.7392 -8.7392 -2.1275 -2.1275 0.7709 0.7709 1.2350 1.2350 2.5730 2.5730 3.2916 3.2916 3.8119 3.8119 4.1935 4.1935 4.4973 4.4973 4.5801 4.5801 5.7064 5.7064 7.8696 7.8696 10.2216 10.2216 10.6768 10.6768 k = 0.4444 0.3849 0.4238 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8350 -42.8350 -42.5464 -42.5464 -18.5188 -18.5188 -18.5156 -18.5156 -18.3515 -18.3515 -18.3461 -18.3461 -18.3251 -18.3251 -18.3200 -18.3200 -8.7387 -8.7387 -2.1267 -2.1267 0.7771 0.7771 1.2233 1.2233 2.5753 2.5753 3.2993 3.2993 3.8068 3.8068 4.1926 4.1926 4.4980 4.4980 4.5767 4.5767 5.7342 5.7342 7.8046 7.8046 10.2567 10.2567 10.7016 10.7016 k = 0.4375 0.3969 0.4238 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5463 -42.5463 -18.5187 -18.5187 -18.5156 -18.5156 -18.3517 -18.3517 -18.3459 -18.3459 -18.3253 -18.3253 -18.3199 -18.3199 -8.7382 -8.7382 -2.1257 -2.1257 0.7841 0.7841 1.2104 1.2104 2.5778 2.5778 3.3077 3.3077 3.8015 3.8015 4.1918 4.1918 4.4988 4.4988 4.5731 4.5731 5.7652 5.7652 7.7341 7.7341 10.2953 10.2953 10.7262 10.7262 k = 0.4306 0.4090 0.4238 ( 5690 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8350 -42.8350 -42.5464 -42.5464 -18.5187 -18.5187 -18.5157 -18.5157 -18.3519 -18.3519 -18.3457 -18.3457 -18.3255 -18.3255 -18.3198 -18.3198 -8.7376 -8.7376 -2.1247 -2.1247 0.7918 0.7918 1.1964 1.1964 2.5804 2.5804 3.3166 3.3166 3.7960 3.7960 4.1910 4.1910 4.4997 4.4997 4.5693 4.5693 5.7993 5.7993 7.6592 7.6592 10.3369 10.3369 10.7496 10.7496 k = 0.4236 0.4210 0.4238 ( 5694 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4601 -46.4601 -42.8350 -42.8350 -42.5464 -42.5464 -18.5187 -18.5187 -18.5158 -18.5158 -18.3520 -18.3520 -18.3455 -18.3455 -18.3257 -18.3257 -18.3197 -18.3197 -8.7371 -8.7371 -2.1236 -2.1236 0.8002 0.8002 1.1815 1.1815 2.5830 2.5830 3.3259 3.3259 3.7906 3.7906 4.1902 4.1902 4.5008 4.5008 4.5653 4.5653 5.8364 5.8364 7.5805 7.5805 10.3811 10.3811 10.7710 10.7710 k = 0.4167 0.4330 0.4238 ( 5690 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4601 -46.4601 -42.8350 -42.8350 -42.5464 -42.5464 -18.5186 -18.5186 -18.5159 -18.5159 -18.3522 -18.3522 -18.3454 -18.3454 -18.3258 -18.3258 -18.3197 -18.3197 -8.7365 -8.7365 -2.1225 -2.1225 0.8092 0.8092 1.1658 1.1658 2.5857 2.5857 3.3354 3.3354 3.7853 3.7853 4.1895 4.1895 4.5019 4.5019 4.5613 4.5613 5.8763 5.8763 7.4988 7.4988 10.4272 10.4272 10.7897 10.7897 k = 0.4097 0.4450 0.4238 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8350 -42.8350 -42.5464 -42.5464 -18.5185 -18.5185 -18.5160 -18.5160 -18.3523 -18.3523 -18.3452 -18.3452 -18.3260 -18.3260 -18.3196 -18.3196 -8.7359 -8.7359 -2.1214 -2.1214 0.8190 0.8190 1.1495 1.1495 2.5884 2.5884 3.3448 3.3448 3.7803 3.7803 4.1890 4.1890 4.5033 4.5033 4.5573 4.5573 5.9188 5.9188 7.4150 7.4150 10.4746 10.4746 10.8051 10.8051 k = 0.4028 0.4571 0.4238 ( 5698 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8350 -42.8350 -42.5464 -42.5464 -18.5185 -18.5185 -18.5161 -18.5161 -18.3525 -18.3525 -18.3450 -18.3450 -18.3262 -18.3262 -18.3196 -18.3196 -8.7353 -8.7353 -2.1203 -2.1203 0.8293 0.8293 1.1325 1.1325 2.5910 2.5910 3.3541 3.3541 3.7758 3.7758 4.1886 4.1886 4.5047 4.5047 4.5534 4.5534 5.9639 5.9639 7.3296 7.3296 10.5225 10.5225 10.8171 10.8171 k = 0.3958 0.4691 0.4238 ( 5702 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8350 -42.8350 -42.5464 -42.5464 -18.5184 -18.5184 -18.5162 -18.5162 -18.3526 -18.3526 -18.3449 -18.3449 -18.3264 -18.3264 -18.3196 -18.3196 -8.7347 -8.7347 -2.1192 -2.1192 0.8402 0.8402 1.1153 1.1153 2.5935 2.5935 3.3629 3.3629 3.7718 3.7718 4.1883 4.1883 4.5063 4.5063 4.5496 4.5496 6.0113 6.0113 7.2433 7.2433 10.5700 10.5700 10.8257 10.8257 k = 0.3889 0.4811 0.4238 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5184 -18.5184 -18.5163 -18.5163 -18.3527 -18.3527 -18.3448 -18.3448 -18.3265 -18.3265 -18.3195 -18.3195 -8.7341 -8.7341 -2.1181 -2.1181 0.8516 0.8516 1.0978 1.0978 2.5959 2.5959 3.3712 3.3712 3.7685 3.7685 4.1882 4.1882 4.5080 4.5080 4.5461 4.5461 6.0610 6.0610 7.1568 7.1568 10.6164 10.6164 10.8315 10.8315 k = 0.3819 0.4932 0.4238 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5183 -18.5183 -18.5164 -18.5164 -18.3528 -18.3528 -18.3446 -18.3446 -18.3266 -18.3266 -18.3194 -18.3194 -8.7335 -8.7335 -2.1171 -2.1171 0.8635 0.8635 1.0802 1.0802 2.5981 2.5981 3.3787 3.3787 3.7658 3.7658 4.1883 4.1883 4.5099 4.5099 4.5428 4.5428 6.1128 6.1128 7.0707 7.0707 10.6606 10.6606 10.8348 10.8348 k = 0.3750 0.5052 0.4238 ( 5704 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5182 -18.5182 -18.5165 -18.5165 -18.3529 -18.3529 -18.3445 -18.3445 -18.3268 -18.3268 -18.3194 -18.3194 -8.7330 -8.7330 -2.1161 -2.1161 0.8758 0.8758 1.0628 1.0628 2.6001 2.6001 3.3853 3.3853 3.7639 3.7639 4.1885 4.1885 4.5118 4.5118 4.5398 4.5398 6.1666 6.1666 6.9856 6.9856 10.7016 10.7016 10.8362 10.8362 k = 0.3681 0.5172 0.4238 ( 5708 PWs) bands (ev): -78.3271 -78.3271 -47.1690 -47.1690 -46.4606 -46.4606 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5181 -18.5181 -18.5167 -18.5167 -18.3530 -18.3530 -18.3445 -18.3445 -18.3269 -18.3269 -18.3194 -18.3194 -8.7326 -8.7326 -2.1153 -2.1153 0.8884 0.8884 1.0456 1.0456 2.6019 2.6019 3.3909 3.3909 3.7627 3.7627 4.1889 4.1889 4.5137 4.5137 4.5371 4.5371 6.2222 6.2222 6.9021 6.9021 10.7384 10.7384 10.8362 10.8362 k = 0.3611 0.5292 0.4238 ( 5708 PWs) bands (ev): -78.3271 -78.3271 -47.1690 -47.1690 -46.4606 -46.4606 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5180 -18.5180 -18.5168 -18.5168 -18.3531 -18.3531 -18.3444 -18.3444 -18.3270 -18.3270 -18.3194 -18.3194 -8.7322 -8.7322 -2.1145 -2.1145 0.9012 0.9012 1.0288 1.0288 2.6034 2.6034 3.3954 3.3954 3.7620 3.7620 4.1894 4.1894 4.5157 4.5157 4.5349 4.5349 6.2794 6.2794 6.8209 6.8209 10.7701 10.7701 10.8353 10.8353 k = 0.3542 0.5413 0.4238 ( 5704 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4606 -46.4606 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5179 -18.5179 -18.5169 -18.5169 -18.3531 -18.3531 -18.3443 -18.3443 -18.3270 -18.3270 -18.3194 -18.3194 -8.7318 -8.7318 -2.1139 -2.1139 0.9140 0.9140 1.0129 1.0129 2.6045 2.6045 3.3988 3.3988 3.7619 3.7619 4.1899 4.1899 4.5175 4.5175 4.5330 4.5330 6.3381 6.3381 6.7427 6.7427 10.7959 10.7959 10.8340 10.8340 k = 0.3472 0.5533 0.4238 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5179 -18.5179 -18.5170 -18.5170 -18.3531 -18.3531 -18.3443 -18.3443 -18.3271 -18.3271 -18.3193 -18.3193 -8.7316 -8.7316 -2.1135 -2.1135 0.9262 0.9262 0.9983 0.9983 2.6054 2.6054 3.4011 3.4011 3.7620 3.7620 4.1905 4.1905 4.5191 4.5191 4.5316 4.5316 6.3976 6.3976 6.6685 6.6685 10.8149 10.8149 10.8327 10.8327 k = 0.3403 0.5653 0.4238 ( 5700 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7314 -8.7314 -2.1132 -2.1132 0.9366 0.9366 0.9865 0.9865 2.6060 2.6060 3.4025 3.4025 3.7622 3.7622 4.1909 4.1909 4.5202 4.5202 4.5308 4.5308 6.4564 6.4564 6.6005 6.6005 10.8265 10.8265 10.8317 10.8317 k = 0.3333 0.5774 0.4238 ( 5700 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5171 -18.5171 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7314 -8.7314 -2.1131 -2.1131 0.9412 0.9412 0.9814 0.9814 2.6062 2.6062 3.4029 3.4029 3.7624 3.7624 4.1910 4.1910 4.5206 4.5206 4.5305 4.5305 6.4960 6.4960 6.5578 6.5578 10.8298 10.8298 10.8319 10.8319 k = 0.3333 0.5774 0.4238 ( 5700 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5171 -18.5171 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7314 -8.7314 -2.1131 -2.1131 0.9412 0.9412 0.9814 0.9814 2.6062 2.6062 3.4029 3.4029 3.7624 3.7624 4.1910 4.1910 4.5206 4.5206 4.5305 4.5305 6.4960 6.4960 6.5578 6.5578 10.8298 10.8298 10.8319 10.8319 k = 0.3262 0.5651 0.4238 ( 5696 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7314 -8.7314 -2.1132 -2.1132 0.9366 0.9366 0.9866 0.9866 2.6060 2.6060 3.4025 3.4025 3.7622 3.7622 4.1908 4.1908 4.5201 4.5201 4.5308 4.5308 6.4573 6.4573 6.6000 6.6000 10.8267 10.8267 10.8313 10.8313 k = 0.3191 0.5528 0.4238 ( 5696 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5169 -18.5169 -18.3531 -18.3531 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7316 -8.7316 -2.1135 -2.1135 0.9269 0.9269 0.9979 0.9979 2.6054 2.6054 3.4014 3.4014 3.7614 3.7614 4.1900 4.1900 4.5184 4.5184 4.5317 4.5317 6.4044 6.4044 6.6638 6.6638 10.8149 10.8149 10.8324 10.8324 k = 0.3121 0.5405 0.4238 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4606 -46.4606 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5180 -18.5180 -18.5168 -18.5168 -18.3531 -18.3531 -18.3443 -18.3443 -18.3270 -18.3270 -18.3193 -18.3193 -8.7319 -8.7319 -2.1141 -2.1141 0.9162 0.9162 1.0114 1.0114 2.6043 2.6043 3.3997 3.3997 3.7600 3.7600 4.1884 4.1884 4.5154 4.5154 4.5330 4.5330 6.3564 6.3564 6.7308 6.7308 10.7948 10.7948 10.8349 10.8349 k = 0.3050 0.5282 0.4238 ( 5692 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5180 -18.5180 -18.5167 -18.5167 -18.3530 -18.3530 -18.3443 -18.3443 -18.3269 -18.3269 -18.3193 -18.3193 -8.7324 -8.7324 -2.1150 -2.1150 0.9058 0.9058 1.0257 1.0257 2.6029 2.6029 3.3976 3.3976 3.7576 3.7576 4.1857 4.1857 4.5110 4.5110 4.5348 4.5348 6.3154 6.3154 6.7992 6.7992 10.7670 10.7670 10.8387 10.8387 k = 0.2979 0.5159 0.4238 ( 5696 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4606 -46.4606 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5182 -18.5182 -18.5165 -18.5165 -18.3530 -18.3530 -18.3444 -18.3444 -18.3269 -18.3269 -18.3194 -18.3194 -8.7330 -8.7330 -2.1161 -2.1161 0.8962 0.8962 1.0405 1.0405 2.6010 2.6010 3.3950 3.3950 3.7542 3.7542 4.1817 4.1817 4.5052 4.5052 4.5369 4.5369 6.2824 6.2824 6.8685 6.8685 10.7320 10.7320 10.8439 10.8439 k = 0.2908 0.5036 0.4238 ( 5702 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5183 -18.5183 -18.5164 -18.5164 -18.3529 -18.3529 -18.3444 -18.3444 -18.3268 -18.3268 -18.3194 -18.3194 -8.7337 -8.7337 -2.1174 -2.1174 0.8877 0.8877 1.0553 1.0553 2.5986 2.5986 3.3922 3.3922 3.7497 3.7497 4.1761 4.1761 4.4978 4.4978 4.5393 4.5393 6.2580 6.2580 6.9385 6.9385 10.6903 10.6903 10.8505 10.8505 k = 0.2837 0.4914 0.4238 ( 5702 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4607 -46.4607 -46.4602 -46.4602 -42.8350 -42.8350 -42.5464 -42.5464 -18.5185 -18.5185 -18.5162 -18.5162 -18.3528 -18.3528 -18.3445 -18.3445 -18.3267 -18.3267 -18.3194 -18.3194 -8.7346 -8.7346 -2.1191 -2.1191 0.8805 0.8805 1.0702 1.0702 2.5958 2.5958 3.3893 3.3893 3.7440 3.7440 4.1685 4.1685 4.4892 4.4892 4.5420 4.5420 6.2424 6.2424 7.0090 7.0090 10.6426 10.6426 10.8581 10.8581 k = 0.2766 0.4791 0.4238 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4607 -46.4607 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5185 -18.5185 -18.5159 -18.5159 -18.3527 -18.3527 -18.3445 -18.3445 -18.3265 -18.3265 -18.3194 -18.3194 -8.7356 -8.7356 -2.1211 -2.1211 0.8746 0.8746 1.0850 1.0850 2.5925 2.5925 3.3862 3.3862 3.7369 3.7369 4.1587 4.1587 4.4796 4.4796 4.5450 4.5450 6.2359 6.2359 7.0798 7.0798 10.5896 10.5896 10.8660 10.8660 k = 0.2695 0.4668 0.4238 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4601 -46.4601 -42.8349 -42.8349 -42.5464 -42.5464 -18.5186 -18.5186 -18.5157 -18.5157 -18.3526 -18.3526 -18.3446 -18.3446 -18.3264 -18.3264 -18.3194 -18.3194 -8.7369 -8.7369 -2.1233 -2.1233 0.8701 0.8701 1.0997 1.0997 2.5888 2.5888 3.3830 3.3830 3.7284 3.7284 4.1463 4.1463 4.4695 4.4695 4.5482 4.5482 6.2382 6.2382 7.1508 7.1508 10.5318 10.5318 10.8722 10.8722 k = 0.2624 0.4545 0.4238 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5155 -18.5155 -18.3525 -18.3525 -18.3446 -18.3446 -18.3262 -18.3262 -18.3195 -18.3195 -8.7382 -8.7382 -2.1259 -2.1259 0.8670 0.8670 1.1143 1.1143 2.5845 2.5845 3.3798 3.3798 3.7183 3.7183 4.1311 4.1311 4.4595 4.4595 4.5516 4.5516 6.2494 6.2494 7.2218 7.2218 10.4701 10.4701 10.8716 10.8716 k = 0.2553 0.4422 0.4238 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4608 -46.4608 -46.4600 -46.4600 -42.8350 -42.8350 -42.5464 -42.5464 -18.5189 -18.5189 -18.5153 -18.5153 -18.3524 -18.3524 -18.3447 -18.3447 -18.3261 -18.3261 -18.3195 -18.3195 -8.7397 -8.7397 -2.1287 -2.1287 0.8654 0.8654 1.1285 1.1285 2.5798 2.5798 3.3766 3.3766 3.7066 3.7066 4.1132 4.1132 4.4501 4.4501 4.5553 4.5553 6.2689 6.2689 7.2925 7.2925 10.4049 10.4049 10.8562 10.8562 k = 0.2482 0.4299 0.4238 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8350 -42.8350 -42.5464 -42.5464 -18.5190 -18.5190 -18.5151 -18.5151 -18.3523 -18.3523 -18.3447 -18.3447 -18.3260 -18.3260 -18.3195 -18.3195 -8.7414 -8.7414 -2.1319 -2.1319 0.8653 0.8653 1.1426 1.1426 2.5745 2.5745 3.3733 3.3733 3.6930 3.6930 4.0926 4.0926 4.4417 4.4417 4.5590 4.5590 6.2962 6.2962 7.3629 7.3629 10.3368 10.3368 10.8248 10.8248 k = 0.2411 0.4177 0.4238 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8350 -42.8350 -42.5463 -42.5463 -18.5191 -18.5191 -18.5149 -18.5149 -18.3522 -18.3522 -18.3447 -18.3447 -18.3258 -18.3258 -18.3196 -18.3196 -8.7433 -8.7433 -2.1353 -2.1353 0.8667 0.8667 1.1563 1.1563 2.5688 2.5688 3.3699 3.3699 3.6777 3.6777 4.0700 4.0700 4.4346 4.4346 4.5630 4.5630 6.3310 6.3310 7.4327 7.4327 10.2664 10.2664 10.7844 10.7844 k = 0.2340 0.4054 0.4238 ( 5690 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5192 -18.5192 -18.5146 -18.5146 -18.3521 -18.3521 -18.3447 -18.3447 -18.3257 -18.3257 -18.3195 -18.3195 -8.7452 -8.7452 -2.1390 -2.1390 0.8697 0.8697 1.1697 1.1697 2.5626 2.5626 3.3664 3.3664 3.6602 3.6602 4.0457 4.0457 4.4291 4.4291 4.5671 4.5671 6.3725 6.3725 7.5018 7.5018 10.1941 10.1941 10.7406 10.7406 k = 0.2270 0.3931 0.4238 ( 5690 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5144 -18.5144 -18.3520 -18.3520 -18.3447 -18.3447 -18.3255 -18.3255 -18.3196 -18.3196 -8.7474 -8.7474 -2.1430 -2.1430 0.8742 0.8742 1.1827 1.1827 2.5558 2.5558 3.3627 3.3627 3.6407 3.6407 4.0206 4.0206 4.4250 4.4250 4.5712 4.5712 6.4201 6.4201 7.5700 7.5700 10.1204 10.1204 10.6956 10.6956 k = 0.2199 0.3808 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5194 -18.5194 -18.5142 -18.5142 -18.3519 -18.3519 -18.3446 -18.3446 -18.3254 -18.3254 -18.3196 -18.3196 -8.7496 -8.7496 -2.1473 -2.1473 0.8802 0.8802 1.1953 1.1953 2.5486 2.5486 3.3587 3.3587 3.6191 3.6191 3.9953 3.9953 4.4224 4.4224 4.5755 4.5755 6.4734 6.4734 7.6371 7.6371 10.0455 10.0455 10.6506 10.6506 k = 0.2128 0.3685 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4610 -46.4610 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5195 -18.5195 -18.5139 -18.5139 -18.3518 -18.3518 -18.3445 -18.3445 -18.3253 -18.3253 -18.3195 -18.3195 -8.7520 -8.7520 -2.1518 -2.1518 0.8877 0.8877 1.2075 1.2075 2.5409 2.5409 3.3542 3.3542 3.5956 3.5956 3.9706 3.9706 4.4211 4.4211 4.5798 4.5798 6.5318 6.5318 7.7030 7.7030 9.9699 9.9699 10.6059 10.6059 k = 0.2057 0.3562 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5195 -18.5195 -18.5137 -18.5137 -18.3517 -18.3517 -18.3444 -18.3444 -18.3252 -18.3252 -18.3195 -18.3195 -8.7545 -8.7545 -2.1566 -2.1566 0.8967 0.8967 1.2193 1.2193 2.5327 2.5327 3.3489 3.3489 3.5704 3.5704 3.9470 3.9470 4.4210 4.4210 4.5842 4.5842 6.5946 6.5946 7.7674 7.7674 9.8938 9.8938 10.5617 10.5617 k = 0.1986 0.3440 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4598 -46.4598 -42.8349 -42.8349 -42.5463 -42.5463 -18.5196 -18.5196 -18.5134 -18.5134 -18.3516 -18.3516 -18.3443 -18.3443 -18.3251 -18.3251 -18.3195 -18.3195 -8.7571 -8.7571 -2.1615 -2.1615 0.9071 0.9071 1.2306 1.2306 2.5240 2.5240 3.3424 3.3424 3.5442 3.5442 3.9248 3.9248 4.4219 4.4219 4.5886 4.5886 6.6615 6.6615 7.8301 7.8301 9.8175 9.8175 10.5182 10.5182 k = 0.1915 0.3317 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4611 -46.4611 -46.4597 -46.4597 -42.8349 -42.8349 -42.5463 -42.5463 -18.5197 -18.5197 -18.5131 -18.5131 -18.3515 -18.3515 -18.3442 -18.3442 -18.3250 -18.3250 -18.3195 -18.3195 -8.7598 -8.7598 -2.1666 -2.1666 0.9189 0.9189 1.2414 1.2414 2.5148 2.5148 3.3341 3.3341 3.5178 3.5178 3.9043 3.9043 4.4237 4.4237 4.5930 4.5930 6.7320 6.7320 7.8911 7.8911 9.7413 9.7413 10.4752 10.4752 k = 0.1844 0.3194 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5197 -18.5197 -18.5129 -18.5129 -18.3515 -18.3515 -18.3440 -18.3440 -18.3249 -18.3249 -18.3194 -18.3194 -8.7626 -8.7626 -2.1720 -2.1720 0.9321 0.9321 1.2518 1.2518 2.5051 2.5051 3.3233 3.3233 3.4923 3.4923 3.8855 3.8855 4.4263 4.4263 4.5975 4.5975 6.8057 6.8057 7.9501 7.9501 9.6654 9.6654 10.4329 10.4329 k = 0.1773 0.3071 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4612 -46.4612 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5197 -18.5197 -18.5126 -18.5126 -18.3514 -18.3514 -18.3438 -18.3438 -18.3248 -18.3248 -18.3193 -18.3193 -8.7655 -8.7655 -2.1774 -2.1774 0.9465 0.9465 1.2617 1.2617 2.4950 2.4950 3.3089 3.3089 3.4691 3.4691 3.8684 3.8684 4.4296 4.4296 4.6020 4.6020 6.8821 6.8821 8.0070 8.0070 9.5900 9.5900 10.3911 10.3911 k = 0.1702 0.2948 0.4238 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4613 -46.4613 -46.4597 -46.4597 -42.8349 -42.8349 -42.5462 -42.5462 -18.5198 -18.5198 -18.5124 -18.5124 -18.3514 -18.3514 -18.3436 -18.3436 -18.3249 -18.3249 -18.3193 -18.3193 -8.7684 -8.7684 -2.1830 -2.1830 0.9621 0.9621 1.2712 1.2712 2.4844 2.4844 3.2903 3.2903 3.4493 3.4493 3.8529 3.8529 4.4335 4.4335 4.6064 4.6064 6.9610 6.9610 8.0617 8.0617 9.5154 9.5154 10.3498 10.3498 k = 0.1631 0.2825 0.4238 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5122 -18.5122 -18.3514 -18.3514 -18.3434 -18.3434 -18.3249 -18.3249 -18.3193 -18.3193 -8.7714 -8.7714 -2.1886 -2.1886 0.9789 0.9789 1.2801 1.2801 2.4733 2.4733 3.2672 3.2672 3.4335 3.4335 3.8390 3.8390 4.4379 4.4379 4.6109 4.6109 7.0419 7.0419 8.1140 8.1140 9.4416 9.4416 10.3089 10.3089 k = 0.1560 0.2702 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5119 -18.5119 -18.3513 -18.3513 -18.3431 -18.3431 -18.3248 -18.3248 -18.3192 -18.3192 -8.7744 -8.7744 -2.1944 -2.1944 0.9967 0.9967 1.2886 1.2886 2.4619 2.4619 3.2404 3.2404 3.4215 3.4215 3.8264 3.8264 4.4428 4.4428 4.6154 4.6154 7.1246 7.1246 8.1639 8.1639 9.3690 9.3690 10.2684 10.2684 k = 0.1489 0.2580 0.4238 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4613 -46.4613 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5117 -18.5117 -18.3513 -18.3513 -18.3429 -18.3429 -18.3249 -18.3249 -18.3191 -18.3191 -8.7774 -8.7774 -2.2001 -2.2001 1.0154 1.0154 1.2967 1.2967 2.4500 2.4500 3.2108 3.2108 3.4124 3.4124 3.8150 3.8150 4.4480 4.4480 4.6198 4.6198 7.2087 7.2087 8.2112 8.2112 9.2977 9.2977 10.2282 10.2282 k = 0.1418 0.2457 0.4238 ( 5680 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4596 -46.4596 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5113 -18.5113 -18.3513 -18.3513 -18.3426 -18.3426 -18.3249 -18.3249 -18.3190 -18.3190 -8.7804 -8.7804 -2.2059 -2.2059 1.0350 1.0350 1.3043 1.3043 2.4377 2.4377 3.1796 3.1796 3.4056 3.4056 3.8048 3.8048 4.4535 4.4535 4.6242 4.6242 7.2939 7.2939 8.2559 8.2559 9.2280 9.2280 10.1882 10.1882 k = 0.1348 0.2334 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5462 -42.5462 -18.5199 -18.5199 -18.5111 -18.5111 -18.3512 -18.3512 -18.3423 -18.3423 -18.3249 -18.3249 -18.3189 -18.3189 -8.7834 -8.7834 -2.2116 -2.2116 1.0553 1.0553 1.3114 1.3114 2.4252 2.4252 3.1476 3.1476 3.4002 3.4002 3.7957 3.7957 4.4591 4.4591 4.6286 4.6286 7.3800 7.3800 8.2979 8.2979 9.1599 9.1599 10.1484 10.1484 k = 0.1277 0.2211 0.4238 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4614 -46.4614 -46.4595 -46.4595 -42.8349 -42.8349 -42.5462 -42.5462 -18.5200 -18.5200 -18.5109 -18.5109 -18.3512 -18.3512 -18.3421 -18.3421 -18.3250 -18.3250 -18.3188 -18.3188 -8.7863 -8.7863 -2.2173 -2.2173 1.0762 1.0762 1.3181 1.3181 2.4123 2.4123 3.1156 3.1156 3.3960 3.3960 3.7874 3.7874 4.4649 4.4649 4.6330 4.6330 7.4666 7.4666 8.3373 8.3373 9.0938 9.0938 10.1086 10.1086 k = 0.1206 0.2088 0.4238 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5462 -42.5462 -18.5200 -18.5200 -18.5107 -18.5107 -18.3512 -18.3512 -18.3418 -18.3418 -18.3250 -18.3250 -18.3187 -18.3187 -8.7892 -8.7892 -2.2229 -2.2229 1.0976 1.0976 1.3243 1.3243 2.3991 2.3991 3.0839 3.0839 3.3925 3.3925 3.7800 3.7800 4.4708 4.4708 4.6373 4.6373 7.5534 7.5534 8.3740 8.3740 9.0297 9.0297 10.0688 10.0688 k = 0.1135 0.1965 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5104 -18.5104 -18.3512 -18.3512 -18.3415 -18.3415 -18.3251 -18.3251 -18.3186 -18.3186 -8.7921 -8.7921 -2.2284 -2.2284 1.1192 1.1192 1.3302 1.3302 2.3858 2.3858 3.0531 3.0531 3.3895 3.3895 3.7734 3.7734 4.4768 4.4768 4.6416 4.6416 7.6402 7.6402 8.4080 8.4080 8.9679 8.9679 10.0289 10.0289 k = 0.1064 0.1843 0.4238 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8349 -42.8349 -42.5461 -42.5461 -18.5200 -18.5200 -18.5102 -18.5102 -18.3512 -18.3512 -18.3412 -18.3412 -18.3252 -18.3252 -18.3185 -18.3185 -8.7948 -8.7948 -2.2337 -2.2337 1.1410 1.1410 1.3357 1.3357 2.3723 2.3723 3.0234 3.0234 3.3870 3.3870 3.7675 3.7675 4.4826 4.4826 4.6458 4.6458 7.7266 7.7266 8.4394 8.4394 8.9087 8.9087 9.9888 9.9888 k = 0.0993 0.1720 0.4238 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4595 -46.4595 -42.8348 -42.8348 -42.5461 -42.5461 -18.5200 -18.5200 -18.5100 -18.5100 -18.3511 -18.3511 -18.3409 -18.3409 -18.3252 -18.3252 -18.3184 -18.3184 -8.7975 -8.7975 -2.2388 -2.2388 1.1628 1.1628 1.3408 1.3408 2.3587 2.3587 2.9951 2.9951 3.3847 3.3847 3.7623 3.7623 4.4884 4.4884 4.6500 4.6500 7.8122 7.8122 8.4682 8.4682 8.8522 8.8522 9.9486 9.9486 k = 0.0922 0.1597 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5461 -42.5461 -18.5200 -18.5200 -18.5098 -18.5098 -18.3511 -18.3511 -18.3406 -18.3406 -18.3253 -18.3253 -18.3183 -18.3183 -8.8000 -8.8000 -2.2438 -2.2438 1.1844 1.1844 1.3457 1.3457 2.3452 2.3452 2.9682 2.9682 3.3826 3.3826 3.7577 3.7577 4.4940 4.4940 4.6541 4.6541 7.8968 7.8968 8.4945 8.4945 8.7986 8.7986 9.9081 9.9081 k = 0.0851 0.1474 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1688 -47.1688 -46.4615 -46.4615 -46.4594 -46.4594 -42.8348 -42.8348 -42.5461 -42.5461 -18.5200 -18.5200 -18.5096 -18.5096 -18.3511 -18.3511 -18.3403 -18.3403 -18.3254 -18.3254 -18.3182 -18.3182 -8.8025 -8.8025 -2.2484 -2.2484 1.2055 1.2055 1.3502 1.3502 2.3318 2.3318 2.9429 2.9429 3.3807 3.3807 3.7537 3.7537 4.4994 4.4994 4.6581 4.6581 7.9800 7.9800 8.5182 8.5182 8.7483 8.7483 9.8674 9.8674 k = 0.0780 0.1351 0.4238 ( 5672 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5094 -18.5094 -18.3511 -18.3511 -18.3400 -18.3400 -18.3255 -18.3255 -18.3181 -18.3181 -8.8048 -8.8048 -2.2529 -2.2529 1.2259 1.2259 1.3545 1.3545 2.3186 2.3186 2.9193 2.9193 3.3790 3.3790 3.7502 3.7502 4.5045 4.5045 4.6620 4.6620 8.0612 8.0612 8.5392 8.5392 8.7017 8.7017 9.8266 9.8266 k = 0.0709 0.1228 0.4238 ( 5676 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5093 -18.5093 -18.3511 -18.3511 -18.3398 -18.3398 -18.3256 -18.3256 -18.3181 -18.3181 -8.8069 -8.8069 -2.2570 -2.2570 1.2455 1.2455 1.3587 1.3587 2.3058 2.3058 2.8976 2.8976 3.3773 3.3773 3.7471 3.7471 4.5093 4.5093 4.6657 4.6657 8.1401 8.1401 8.5571 8.5571 8.6596 8.6596 9.7857 9.7857 k = 0.0638 0.1106 0.4238 ( 5672 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5091 -18.5091 -18.3510 -18.3510 -18.3395 -18.3395 -18.3257 -18.3257 -18.3180 -18.3180 -8.8089 -8.8089 -2.2608 -2.2608 1.2638 1.2638 1.3627 1.3627 2.2934 2.2934 2.8778 2.8778 3.3759 3.3759 3.7445 3.7445 4.5138 4.5138 4.6693 4.6693 8.2160 8.2160 8.5692 8.5692 8.6250 8.6250 9.7449 9.7449 k = 0.0567 0.0983 0.4238 ( 5656 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5090 -18.5090 -18.3510 -18.3510 -18.3393 -18.3393 -18.3257 -18.3257 -18.3179 -18.3179 -8.8106 -8.8106 -2.2643 -2.2643 1.2807 1.2807 1.3668 1.3668 2.2817 2.2817 2.8599 2.8599 3.3746 3.3746 3.7423 3.7423 4.5178 4.5178 4.6726 4.6726 8.2881 8.2881 8.5633 8.5633 8.6106 8.6106 9.7045 9.7045 k = 0.0496 0.0860 0.4238 ( 5652 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4594 -46.4594 -42.8348 -42.8348 -42.5460 -42.5460 -18.5199 -18.5199 -18.5088 -18.5088 -18.3509 -18.3509 -18.3391 -18.3391 -18.3258 -18.3258 -18.3178 -18.3178 -8.8123 -8.8123 -2.2674 -2.2674 1.2957 1.2957 1.3709 1.3709 2.2708 2.2708 2.8440 2.8440 3.3734 3.3734 3.7405 3.7405 4.5215 4.5215 4.6757 4.6757 8.3553 8.3553 8.5395 8.5395 8.6171 8.6171 9.6649 9.6649 k = 0.0426 0.0737 0.4238 ( 5644 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5087 -18.5087 -18.3509 -18.3509 -18.3389 -18.3389 -18.3258 -18.3258 -18.3177 -18.3177 -8.8137 -8.8137 -2.2701 -2.2701 1.3086 1.3086 1.3752 1.3752 2.2608 2.2608 2.8302 2.8302 3.3723 3.3723 3.7389 3.7389 4.5247 4.5247 4.6785 4.6785 8.4148 8.4148 8.5163 8.5163 8.6279 8.6279 9.6267 9.6267 k = 0.0355 0.0614 0.4238 ( 5648 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5198 -18.5198 -18.5086 -18.5086 -18.3509 -18.3509 -18.3387 -18.3387 -18.3259 -18.3259 -18.3176 -18.3176 -8.8149 -8.8149 -2.2725 -2.2725 1.3192 1.3192 1.3796 1.3796 2.2520 2.2520 2.8184 2.8184 3.3714 3.3714 3.7377 3.7377 4.5274 4.5274 4.6809 4.6809 8.4556 8.4556 8.5077 8.5077 8.6393 8.6393 9.5907 9.5907 k = 0.0284 0.0491 0.4238 ( 5652 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5199 -18.5199 -18.5086 -18.5086 -18.3509 -18.3509 -18.3386 -18.3386 -18.3260 -18.3260 -18.3176 -18.3176 -8.8159 -8.8159 -2.2744 -2.2744 1.3274 1.3274 1.3841 1.3841 2.2446 2.2446 2.8087 2.8087 3.3706 3.3706 3.7367 3.7367 4.5296 4.5296 4.6829 4.6829 8.4561 8.4561 8.5343 8.5343 8.6511 8.6511 9.5580 9.5580 k = 0.0213 0.0369 0.4238 ( 5654 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5199 -18.5199 -18.5085 -18.5085 -18.3509 -18.3509 -18.3385 -18.3385 -18.3260 -18.3260 -18.3176 -18.3176 -8.8167 -8.8167 -2.2760 -2.2760 1.3333 1.3333 1.3882 1.3882 2.2385 2.2385 2.8012 2.8012 3.3700 3.3700 3.7360 3.7360 4.5314 4.5314 4.6845 4.6845 8.4445 8.4445 8.5661 8.5661 8.6638 8.6638 9.5300 9.5300 k = 0.0142 0.0246 0.4238 ( 5634 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3260 -18.3260 -18.3175 -18.3175 -8.8172 -8.8172 -2.2770 -2.2770 1.3373 1.3373 1.3915 1.3915 2.2341 2.2341 2.7958 2.7958 3.3696 3.3696 3.7355 3.7355 4.5326 4.5326 4.6857 4.6857 8.4345 8.4345 8.5884 8.5884 8.6766 8.6766 9.5083 9.5083 k = 0.0071 0.0123 0.4238 ( 5642 PWs) bands (ev): -78.3271 -78.3271 -47.1687 -47.1687 -46.4616 -46.4616 -46.4593 -46.4593 -42.8348 -42.8348 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3260 -18.3260 -18.3175 -18.3175 -8.8176 -8.8176 -2.2777 -2.2777 1.3396 1.3396 1.3937 1.3937 2.2314 2.2314 2.7926 2.7926 3.3693 3.3693 3.7352 3.7352 4.5334 4.5334 4.6864 4.6864 8.4283 8.4283 8.6005 8.6005 8.6867 8.6867 9.4945 9.4945 k = 0.0000 0.0000 0.4238 ( 5630 PWs) bands (ev): -78.3271 -78.3271 -47.1686 -47.1686 -46.4616 -46.4616 -46.4593 -46.4593 -42.8347 -42.8347 -42.5459 -42.5459 -18.5198 -18.5198 -18.5084 -18.5084 -18.3509 -18.3509 -18.3384 -18.3384 -18.3259 -18.3259 -18.3175 -18.3175 -8.8177 -8.8177 -2.2779 -2.2779 1.3403 1.3403 1.3945 1.3945 2.2305 2.2305 2.7915 2.7915 3.3693 3.3693 3.7351 3.7351 4.5336 4.5336 4.6867 4.6867 8.4262 8.4262 8.6043 8.6043 8.6906 8.6906 9.4897 9.4897 k = 0.5000 0.2887 0.4238 ( 5660 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7408 -8.7408 -2.1306 -2.1306 0.7503 0.7503 1.2756 1.2756 2.5645 2.5645 3.2643 3.2643 3.8311 3.8311 4.1971 4.1971 4.4952 4.4952 4.5924 4.5924 5.6127 5.6127 8.1052 8.1052 10.1004 10.1004 10.5722 10.5722 k = 0.5000 0.2887 0.4096 ( 5654 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5152 -18.5152 -18.3505 -18.3505 -18.3470 -18.3470 -18.3242 -18.3242 -18.3202 -18.3202 -8.7411 -8.7411 -2.1281 -2.1281 0.7513 0.7513 1.2768 1.2768 2.5591 2.5591 3.2643 3.2643 3.8310 3.8310 4.1947 4.1947 4.4908 4.4908 4.5875 4.5875 5.6217 5.6217 8.1111 8.1111 10.1002 10.1002 10.5721 10.5721 k = 0.5000 0.2887 0.3955 ( 5662 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3505 -18.3505 -18.3470 -18.3470 -18.3243 -18.3243 -18.3202 -18.3202 -8.7420 -8.7420 -2.1206 -2.1206 0.7542 0.7542 1.2805 1.2805 2.5428 2.5428 3.2642 3.2642 3.8306 3.8306 4.1868 4.1868 4.4782 4.4782 4.5729 4.5729 5.6479 5.6479 8.1288 8.1288 10.0996 10.0996 10.5711 10.5711 k = 0.5000 0.2887 0.3814 ( 5664 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5188 -18.5188 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3243 -18.3243 -18.3203 -18.3203 -8.7434 -8.7434 -2.1080 -2.1080 0.7591 0.7591 1.2865 1.2865 2.5159 2.5159 3.2640 3.2640 3.8298 3.8298 4.1720 4.1720 4.4604 4.4604 4.5500 4.5500 5.6893 5.6893 8.1578 8.1578 10.0985 10.0985 10.5679 10.5679 k = 0.5000 0.2887 0.3673 ( 5678 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5189 -18.5189 -18.5153 -18.5153 -18.3506 -18.3506 -18.3470 -18.3470 -18.3244 -18.3244 -18.3203 -18.3203 -8.7453 -8.7453 -2.0905 -2.0905 0.7659 0.7659 1.2950 1.2950 2.4790 2.4790 3.2636 3.2636 3.8284 3.8284 4.1481 4.1481 4.4404 4.4404 4.5206 4.5206 5.7432 5.7432 8.1978 8.1978 10.0967 10.0967 10.5603 10.5603 k = 0.5000 0.2887 0.3531 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8350 -42.8350 -42.5463 -42.5463 -18.5190 -18.5190 -18.5152 -18.5152 -18.3507 -18.3507 -18.3469 -18.3469 -18.3245 -18.3245 -18.3203 -18.3203 -8.7478 -8.7478 -2.0681 -2.0681 0.7746 0.7746 1.3059 1.3059 2.4327 2.4327 3.2631 3.2631 3.8262 3.8262 4.1141 4.1141 4.4194 4.4194 4.4881 4.4881 5.8068 5.8068 8.2482 8.2482 10.0942 10.0942 10.5460 10.5460 k = 0.5000 0.2887 0.3390 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5190 -18.5190 -18.5151 -18.5151 -18.3507 -18.3507 -18.3468 -18.3468 -18.3245 -18.3245 -18.3203 -18.3203 -8.7507 -8.7507 -2.0408 -2.0408 0.7851 0.7851 1.3192 1.3192 2.3775 2.3775 3.2623 3.2623 3.8224 3.8224 4.0704 4.0704 4.3924 4.3924 4.4602 4.4602 5.8779 5.8779 8.3081 8.3081 10.0906 10.0906 10.5242 10.5242 k = 0.5000 0.2887 0.3249 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5190 -18.5190 -18.5151 -18.5151 -18.3508 -18.3508 -18.3468 -18.3468 -18.3246 -18.3246 -18.3203 -18.3203 -8.7541 -8.7541 -2.0087 -2.0087 0.7975 0.7975 1.3348 1.3348 2.3141 2.3141 3.2612 3.2612 3.8160 3.8160 4.0196 4.0196 4.3521 4.3521 4.4452 4.4452 5.9543 5.9543 8.3767 8.3767 10.0855 10.0855 10.4958 10.4958 k = 0.5000 0.2887 0.3108 ( 5678 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5190 -18.5190 -18.5150 -18.5150 -18.3508 -18.3508 -18.3466 -18.3466 -18.3247 -18.3247 -18.3203 -18.3203 -8.7579 -8.7579 -1.9718 -1.9718 0.8117 0.8117 1.3528 1.3528 2.2434 2.2434 3.2598 3.2598 3.8040 3.8040 3.9669 3.9669 4.3005 4.3005 4.4409 4.4409 6.0347 6.0347 8.4534 8.4534 10.0784 10.0784 10.4634 10.4634 k = 0.5000 0.2887 0.2966 ( 5678 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5190 -18.5190 -18.5149 -18.5149 -18.3508 -18.3508 -18.3466 -18.3466 -18.3248 -18.3248 -18.3203 -18.3203 -8.7621 -8.7621 -1.9303 -1.9303 0.8276 0.8276 1.3731 1.3731 2.1659 2.1659 3.2580 3.2580 3.7808 3.7808 3.9198 3.9198 4.2420 4.2420 4.4425 4.4425 6.1176 6.1176 8.5372 8.5372 10.0685 10.0685 10.4301 10.4301 k = 0.5000 0.2887 0.2825 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5191 -18.5191 -18.5149 -18.5149 -18.3508 -18.3508 -18.3465 -18.3465 -18.3249 -18.3249 -18.3203 -18.3203 -8.7666 -8.7666 -1.8841 -1.8841 0.8452 0.8452 1.3956 1.3956 2.0823 2.0823 3.2557 3.2557 3.7397 3.7397 3.8864 3.8864 4.1794 4.1794 4.4473 4.4473 6.2022 6.2022 8.6275 8.6275 10.0551 10.0551 10.3987 10.3987 k = 0.5000 0.2887 0.2684 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5191 -18.5191 -18.5148 -18.5148 -18.3509 -18.3509 -18.3464 -18.3464 -18.3250 -18.3250 -18.3203 -18.3203 -8.7713 -8.7713 -1.8336 -1.8336 0.8644 0.8644 1.4204 1.4204 1.9934 1.9934 3.2529 3.2529 3.6822 3.6822 3.8661 3.8661 4.1146 4.1146 4.4540 4.4540 6.2874 6.2874 8.7234 8.7234 10.0377 10.0377 10.3713 10.3713 k = 0.5000 0.2887 0.2543 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8350 -42.8350 -42.5464 -42.5464 -18.5192 -18.5192 -18.5148 -18.5148 -18.3509 -18.3509 -18.3463 -18.3463 -18.3251 -18.3251 -18.3203 -18.3203 -8.7763 -8.7763 -1.7786 -1.7786 0.8851 0.8851 1.4472 1.4472 1.8996 1.8996 3.2495 3.2495 3.6157 3.6157 3.8514 3.8514 4.0496 4.0496 4.4617 4.4617 6.3727 6.3727 8.8243 8.8243 10.0161 10.0161 10.3492 10.3492 k = 0.5000 0.2887 0.2401 ( 5698 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4600 -46.4600 -42.8350 -42.8350 -42.5464 -42.5464 -18.5192 -18.5192 -18.5147 -18.5147 -18.3510 -18.3510 -18.3462 -18.3462 -18.3252 -18.3252 -18.3204 -18.3204 -8.7813 -8.7813 -1.7194 -1.7194 0.9072 0.9072 1.4761 1.4761 1.8016 1.8016 3.2453 3.2453 3.5454 3.5454 3.8351 3.8351 3.9884 3.9884 4.4698 4.4698 6.4574 6.4574 8.9297 8.9297 9.9905 9.9905 10.3327 10.3327 k = 0.5000 0.2887 0.2260 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5146 -18.5146 -18.3510 -18.3510 -18.3461 -18.3461 -18.3253 -18.3253 -18.3204 -18.3204 -8.7865 -8.7865 -1.6561 -1.6561 0.9306 0.9306 1.5068 1.5068 1.7003 1.7003 3.2398 3.2398 3.4740 3.4740 3.8090 3.8090 3.9380 3.9380 4.4781 4.4781 6.5408 6.5408 9.0387 9.0387 9.9617 9.9617 10.3215 10.3215 k = 0.5000 0.2887 0.2119 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5145 -18.5145 -18.3510 -18.3510 -18.3460 -18.3460 -18.3254 -18.3254 -18.3204 -18.3204 -8.7918 -8.7918 -1.5888 -1.5888 0.9551 0.9551 1.5370 1.5370 1.5980 1.5980 3.2324 3.2324 3.4035 3.4035 3.7654 3.7654 3.9059 3.9059 4.4862 4.4862 6.6225 6.6225 9.1511 9.1511 9.9310 9.9310 10.3149 10.3149 k = 0.5000 0.2887 0.1978 ( 5690 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5192 -18.5192 -18.5144 -18.5144 -18.3510 -18.3510 -18.3459 -18.3459 -18.3254 -18.3254 -18.3204 -18.3204 -8.7970 -8.7970 -1.5177 -1.5177 0.9806 0.9806 1.4837 1.4837 1.5783 1.5783 3.2211 3.2211 3.3364 3.3364 3.7078 3.7078 3.8893 3.8893 4.4941 4.4941 6.7019 6.7019 9.2661 9.2661 9.8995 9.8995 10.3121 10.3121 k = 0.5000 0.2887 0.1836 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8350 -42.8350 -42.5464 -42.5464 -18.5193 -18.5193 -18.5144 -18.5144 -18.3510 -18.3510 -18.3459 -18.3459 -18.3255 -18.3255 -18.3205 -18.3205 -8.8021 -8.8021 -1.4428 -1.4428 1.0068 1.0068 1.3751 1.3751 1.6134 1.6134 3.2000 3.2000 3.2788 3.2788 3.6444 3.6444 3.8805 3.8805 4.5015 4.5015 6.7786 6.7786 9.3834 9.3834 9.8680 9.8680 10.3121 10.3121 k = 0.5000 0.2887 0.1695 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5143 -18.5143 -18.3510 -18.3510 -18.3458 -18.3458 -18.3256 -18.3256 -18.3205 -18.3205 -8.8071 -8.8071 -1.3645 -1.3645 1.0335 1.0335 1.2636 1.2636 1.6510 1.6510 3.1587 3.1587 3.2408 3.2408 3.5809 3.5809 3.8753 3.8753 4.5085 4.5085 6.8520 6.8520 9.5024 9.5024 9.8375 9.8375 10.3144 10.3144 k = 0.5000 0.2887 0.1554 ( 5686 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5142 -18.5142 -18.3510 -18.3510 -18.3457 -18.3457 -18.3256 -18.3256 -18.3205 -18.3205 -8.8119 -8.8119 -1.2829 -1.2829 1.0601 1.0601 1.1510 1.1510 1.6902 1.6902 3.1024 3.1024 3.2166 3.2166 3.5204 3.5204 3.8719 3.8719 4.5149 4.5149 6.9217 6.9217 9.6223 9.6223 9.8091 9.8091 10.3184 10.3184 k = 0.5000 0.2887 0.1413 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8350 -42.8350 -42.5463 -42.5463 -18.5193 -18.5193 -18.5142 -18.5142 -18.3510 -18.3510 -18.3457 -18.3457 -18.3257 -18.3257 -18.3206 -18.3206 -8.8165 -8.8165 -1.1981 -1.1981 1.0340 1.0340 1.0898 1.0898 1.7305 1.7305 3.0429 3.0429 3.1932 3.1932 3.4660 3.4660 3.8695 3.8695 4.5208 4.5208 6.9871 6.9871 9.7364 9.7364 9.7893 9.7893 10.3237 10.3237 k = 0.5000 0.2887 0.1271 ( 5696 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5141 -18.5141 -18.3510 -18.3510 -18.3457 -18.3457 -18.3257 -18.3257 -18.3206 -18.3206 -8.8207 -8.8207 -1.1105 -1.1105 0.9203 0.9203 1.1154 1.1154 1.7715 1.7715 2.9846 2.9846 3.1649 3.1649 3.4203 3.4203 3.8677 3.8677 4.5261 4.5261 7.0480 7.0480 9.7500 9.7500 9.8728 9.8728 10.3299 10.3299 k = 0.5000 0.2887 0.1130 ( 5688 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5141 -18.5141 -18.3509 -18.3509 -18.3456 -18.3456 -18.3257 -18.3257 -18.3206 -18.3206 -8.8247 -8.8247 -1.0204 -1.0204 0.8054 0.8054 1.1413 1.1413 1.8127 1.8127 2.9293 2.9293 3.1299 3.1299 3.3848 3.3848 3.8663 3.8663 4.5308 4.5308 7.1037 7.1037 9.7288 9.7288 9.9935 9.9935 10.3368 10.3368 k = 0.5000 0.2887 0.0989 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5140 -18.5140 -18.3510 -18.3510 -18.3456 -18.3456 -18.3258 -18.3258 -18.3207 -18.3207 -8.8283 -8.8283 -0.9280 -0.9280 0.6909 0.6909 1.1660 1.1660 1.8537 1.8537 2.8779 2.8779 3.0889 3.0889 3.3590 3.3590 3.8653 3.8653 4.5349 4.5349 7.1540 7.1540 9.7088 9.7088 10.1150 10.1150 10.3445 10.3445 k = 0.5000 0.2887 0.0848 ( 5692 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5140 -18.5140 -18.3509 -18.3509 -18.3455 -18.3455 -18.3258 -18.3258 -18.3207 -18.3207 -8.8315 -8.8315 -0.8340 -0.8340 0.5774 0.5774 1.1891 1.1891 1.8936 1.8936 2.8311 2.8311 3.0448 3.0448 3.3411 3.3411 3.8644 3.8644 4.5385 4.5385 7.1984 7.1984 9.6911 9.6911 10.2341 10.2341 10.3541 10.3541 k = 0.5000 0.2887 0.0706 ( 5686 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5139 -18.5139 -18.3509 -18.3509 -18.3455 -18.3455 -18.3258 -18.3258 -18.3207 -18.3207 -8.8342 -8.8342 -0.7391 -0.7391 0.4658 0.4658 1.2099 1.2099 1.9314 1.9314 2.7896 2.7896 3.0009 3.0009 3.3287 3.3287 3.8638 3.8638 4.5415 4.5415 7.2366 7.2366 9.6759 9.6759 10.3302 10.3302 10.3852 10.3852 k = 0.5000 0.2887 0.0565 ( 5678 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5139 -18.5139 -18.3509 -18.3509 -18.3454 -18.3454 -18.3259 -18.3259 -18.3207 -18.3207 -8.8365 -8.8365 -0.6447 -0.6447 0.3576 0.3576 1.2280 1.2280 1.9659 1.9659 2.7541 2.7541 2.9600 2.9600 3.3203 3.3203 3.8633 3.8633 4.5440 4.5440 7.2683 7.2683 9.6635 9.6635 10.3532 10.3532 10.4867 10.4867 k = 0.5000 0.2887 0.0424 ( 5690 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5194 -18.5194 -18.5139 -18.5139 -18.3509 -18.3509 -18.3455 -18.3455 -18.3259 -18.3259 -18.3208 -18.3208 -8.8383 -8.8383 -0.5531 -0.5531 0.2552 0.2552 1.2428 1.2428 1.9956 1.9956 2.7252 2.7252 2.9250 2.9250 3.3145 3.3145 3.8629 3.8629 4.5458 4.5458 7.2932 7.2932 9.6538 9.6538 10.3602 10.3602 10.5990 10.5990 k = 0.5000 0.2887 0.0283 ( 5698 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5194 -18.5194 -18.5139 -18.5139 -18.3509 -18.3509 -18.3455 -18.3455 -18.3260 -18.3260 -18.3208 -18.3208 -8.8396 -8.8396 -0.4692 -0.4692 0.1636 0.1636 1.2537 1.2537 2.0188 2.0188 2.7038 2.7038 2.8980 2.8980 3.3108 3.3108 3.8626 3.8626 4.5472 4.5472 7.3111 7.3111 9.6469 9.6469 10.3644 10.3644 10.7046 10.7046 k = 0.5000 0.2887 0.0141 ( 5684 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5464 -42.5464 -18.5193 -18.5193 -18.5138 -18.5138 -18.3509 -18.3509 -18.3454 -18.3454 -18.3259 -18.3259 -18.3208 -18.3208 -8.8404 -8.8404 -0.4042 -0.4042 0.0938 0.0938 1.2604 1.2604 2.0336 2.0336 2.6906 2.6906 2.8809 2.8809 3.3088 3.3088 3.8625 3.8625 4.5480 4.5480 7.3220 7.3220 9.6427 9.6427 10.3668 10.3668 10.7910 10.7910 k = 0.5000 0.2887-0.0000 ( 5670 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4609 -46.4609 -46.4599 -46.4599 -42.8349 -42.8349 -42.5463 -42.5463 -18.5193 -18.5193 -18.5138 -18.5138 -18.3508 -18.3508 -18.3454 -18.3454 -18.3259 -18.3259 -18.3207 -18.3207 -8.8406 -8.8406 -0.3779 -0.3779 0.0660 0.0660 1.2627 1.2627 2.0387 2.0387 2.6861 2.6861 2.8751 2.8751 3.3081 3.3081 3.8625 3.8625 4.5483 4.5483 7.3256 7.3256 9.6414 9.6414 10.3677 10.3677 10.8286 10.8286 k = 0.3333 0.5774-0.0000 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8305 -8.8305 -0.3662 -0.3662 0.0911 0.0911 1.5459 1.5459 1.5593 1.5593 2.7163 2.7163 2.8342 2.8342 3.5065 3.5065 3.8123 3.8123 4.6377 4.6377 8.1325 8.1325 8.1782 8.1782 10.1852 10.1852 10.2462 10.2462 k = 0.3333 0.5774 0.0141 ( 5661 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3259 -18.3259 -18.3214 -18.3214 -8.8303 -8.8303 -0.3918 -0.3918 0.1183 0.1183 1.5428 1.5428 1.5565 1.5565 2.7211 2.7211 2.8384 2.8384 3.5070 3.5070 3.8124 3.8124 4.6374 4.6374 8.1288 8.1288 8.1747 8.1747 10.1850 10.1850 10.2455 10.2455 k = 0.3333 0.5774 0.0283 ( 5676 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3214 -18.3214 -8.8295 -8.8295 -0.4558 -0.4558 0.1870 0.1870 1.5337 1.5337 1.5484 1.5484 2.7352 2.7352 2.8506 2.8506 3.5084 3.5084 3.8128 3.8128 4.6363 4.6363 8.1175 8.1175 8.1642 8.1642 10.1842 10.1842 10.2434 10.2434 k = 0.3333 0.5774 0.0424 ( 5670 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3214 -18.3214 -8.8282 -8.8282 -0.5387 -0.5387 0.2778 0.2778 1.5192 1.5192 1.5352 1.5352 2.7581 2.7581 2.8705 2.8705 3.5110 3.5110 3.8134 3.8134 4.6344 4.6344 8.0987 8.0987 8.1468 8.1468 10.1833 10.1833 10.2405 10.2405 k = 0.3333 0.5774 0.0565 ( 5667 PWs) bands (ev): -78.3270 -78.3270 -47.1688 -47.1688 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5160 -18.5160 -18.3519 -18.3519 -18.3448 -18.3448 -18.3260 -18.3260 -18.3214 -18.3214 -8.8264 -8.8264 -0.6297 -0.6297 0.3799 0.3799 1.4998 1.4998 1.5175 1.5175 2.7892 2.7892 2.8974 2.8974 3.5147 3.5147 3.8142 3.8142 4.6318 4.6318 8.0727 8.0727 8.1225 8.1225 10.1825 10.1825 10.2370 10.2370 k = 0.3333 0.5774 0.0706 ( 5673 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5161 -18.5161 -18.3520 -18.3520 -18.3448 -18.3448 -18.3260 -18.3260 -18.3213 -18.3213 -8.8241 -8.8241 -0.7238 -0.7238 0.4879 0.4879 1.4763 1.4763 1.4960 1.4960 2.8275 2.8275 2.9303 2.9303 3.5198 3.5198 3.8153 3.8153 4.6284 4.6284 8.0395 8.0395 8.0913 8.0913 10.1824 10.1825 10.2337 10.2337 k = 0.3333 0.5774 0.0848 ( 5679 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5161 -18.5161 -18.3520 -18.3520 -18.3448 -18.3448 -18.3261 -18.3261 -18.3213 -18.3213 -8.8214 -8.8214 -0.8183 -0.8183 0.5996 0.5996 1.4497 1.4497 1.4714 1.4714 2.8722 2.8722 2.9682 2.9682 3.5265 3.5265 3.8167 3.8167 4.6243 4.6243 7.9994 7.9994 8.0536 8.0536 10.1836 10.1836 10.2312 10.2312 k = 0.3333 0.5774 0.0989 ( 5685 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5162 -18.5162 -18.3521 -18.3521 -18.3448 -18.3448 -18.3261 -18.3261 -18.3212 -18.3212 -8.8182 -8.8182 -0.9121 -0.9121 0.7132 0.7132 1.4207 1.4207 1.4444 1.4444 2.9223 2.9223 3.0099 3.0099 3.5353 3.5353 3.8185 3.8185 4.6194 4.6194 7.9527 7.9527 8.0094 8.0094 10.1865 10.1865 10.2301 10.2301 k = 0.3333 0.5774 0.1130 ( 5679 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5162 -18.5162 -18.3521 -18.3521 -18.3447 -18.3447 -18.3261 -18.3261 -18.3211 -18.3211 -8.8147 -8.8147 -1.0043 -1.0043 0.8281 0.8281 1.3901 1.3901 1.4156 1.4156 2.9770 2.9770 3.0542 3.0542 3.5468 3.5468 3.8206 3.8206 4.6137 4.6137 7.8999 7.8999 7.9592 7.9592 10.1916 10.1916 10.2311 10.2311 k = 0.3333 0.5774 0.1271 ( 5673 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5463 -42.5463 -18.5177 -18.5177 -18.5162 -18.5162 -18.3522 -18.3522 -18.3447 -18.3447 -18.3261 -18.3261 -18.3210 -18.3210 -8.8107 -8.8107 -1.0943 -1.0943 0.9434 0.9434 1.3585 1.3585 1.3857 1.3857 3.0354 3.0354 3.0997 3.0997 3.5617 3.5617 3.8231 3.8231 4.6073 4.6073 7.8413 7.8413 7.9031 7.9031 10.1993 10.1993 10.2347 10.2347 k = 0.3333 0.5774 0.1413 ( 5682 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5163 -18.5163 -18.3523 -18.3523 -18.3447 -18.3447 -18.3262 -18.3262 -18.3209 -18.3209 -8.8065 -8.8065 -1.1818 -1.1818 1.0587 1.0587 1.3264 1.3264 1.3551 1.3551 3.0969 3.0969 3.1446 3.1446 3.5809 3.5809 3.8261 3.8261 4.6000 4.6000 7.7774 7.7774 7.8417 7.8417 10.2099 10.2099 10.2413 10.2413 k = 0.3333 0.5774 0.1554 ( 5694 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5164 -18.5164 -18.3523 -18.3523 -18.3447 -18.3447 -18.3263 -18.3263 -18.3209 -18.3209 -8.8019 -8.8019 -1.2664 -1.2664 1.1731 1.1731 1.2947 1.2947 1.3244 1.3244 3.1607 3.1607 3.1875 3.1875 3.6056 3.6056 3.8298 3.8298 4.5920 4.5920 7.7089 7.7089 7.7755 7.7755 10.2237 10.2237 10.2512 10.2512 k = 0.3333 0.5774 0.1695 ( 5706 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5164 -18.5164 -18.3524 -18.3524 -18.3447 -18.3447 -18.3264 -18.3264 -18.3208 -18.3208 -8.7972 -8.7972 -1.3479 -1.3479 1.2574 1.2574 1.2925 1.2925 1.2938 1.2938 3.2261 3.2261 3.2266 3.2266 3.6367 3.6367 3.8342 3.8342 4.5833 4.5833 7.6363 7.6363 7.7049 7.7049 10.2407 10.2407 10.2646 10.2646 k = 0.3333 0.5774 0.1836 ( 5700 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5165 -18.5165 -18.3525 -18.3525 -18.3446 -18.3446 -18.3264 -18.3264 -18.3207 -18.3207 -8.7922 -8.7922 -1.4262 -1.4262 1.2297 1.2297 1.2637 1.2637 1.4017 1.4017 3.2609 3.2609 3.2924 3.2924 3.6751 3.6751 3.8397 3.8397 4.5738 4.5738 7.5603 7.5603 7.6306 7.6306 10.2611 10.2611 10.2816 10.2816 k = 0.3333 0.5774 0.1978 ( 5694 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5165 -18.5165 -18.3525 -18.3525 -18.3446 -18.3446 -18.3265 -18.3265 -18.3205 -18.3205 -8.7871 -8.7871 -1.5009 -1.5009 1.1996 1.1996 1.2343 1.2343 1.5124 1.5124 3.2897 3.2897 3.3585 3.3585 3.7207 3.7207 3.8466 3.8466 4.5637 4.5637 7.4814 7.4814 7.5531 7.5531 10.2849 10.2849 10.3023 10.3023 k = 0.3333 0.5774 0.2119 ( 5694 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5165 -18.5165 -18.3526 -18.3526 -18.3445 -18.3445 -18.3265 -18.3265 -18.3204 -18.3204 -8.7820 -8.7820 -1.5719 -1.5719 1.1704 1.1704 1.2060 1.2060 1.6210 1.6210 3.3132 3.3132 3.4234 3.4234 3.7731 3.7731 3.8554 3.8554 4.5531 4.5531 7.4004 7.4004 7.4732 7.4732 10.3119 10.3119 10.3265 10.3265 k = 0.3333 0.5774 0.2260 ( 5697 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5166 -18.5166 -18.3527 -18.3527 -18.3445 -18.3445 -18.3266 -18.3266 -18.3203 -18.3203 -8.7768 -8.7768 -1.6392 -1.6392 1.1425 1.1425 1.1788 1.1788 1.7270 1.7270 3.3320 3.3320 3.4858 3.4858 3.8310 3.8310 3.8671 3.8671 4.5420 4.5420 7.3180 7.3180 7.3915 7.3915 10.3420 10.3420 10.3541 10.3541 k = 0.3333 0.5774 0.2401 ( 5685 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5166 -18.5166 -18.3527 -18.3527 -18.3444 -18.3444 -18.3266 -18.3266 -18.3202 -18.3202 -8.7716 -8.7716 -1.7024 -1.7024 1.1160 1.1160 1.1529 1.1529 1.8299 1.8299 3.3470 3.3470 3.5440 3.5440 3.8826 3.8826 3.8932 3.8932 4.5307 4.5307 7.2348 7.2348 7.3087 7.3087 10.3751 10.3751 10.3851 10.3851 k = 0.3333 0.5774 0.2543 ( 5691 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5167 -18.5167 -18.3528 -18.3528 -18.3444 -18.3444 -18.3267 -18.3267 -18.3201 -18.3201 -8.7665 -8.7665 -1.7615 -1.7615 1.0911 1.0911 1.1286 1.1286 1.9292 1.9292 3.3589 3.3589 3.5958 3.5958 3.9033 3.9033 3.9584 3.9584 4.5194 4.5194 7.1515 7.1515 7.2255 7.2255 10.4109 10.4109 10.4190 10.4190 k = 0.3333 0.5774 0.2684 ( 5688 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5167 -18.5167 -18.3528 -18.3528 -18.3444 -18.3444 -18.3268 -18.3268 -18.3200 -18.3200 -8.7616 -8.7616 -1.8164 -1.8164 1.0679 1.0679 1.1059 1.1059 2.0243 2.0243 3.3684 3.3684 3.6396 3.6396 3.9302 3.9302 4.0252 4.0252 4.5085 4.5085 7.0690 7.0690 7.1428 7.1428 10.4492 10.4492 10.4557 10.4557 k = 0.3333 0.5774 0.2825 ( 5694 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8349 -42.8349 -42.5464 -42.5464 -18.5177 -18.5177 -18.5168 -18.5168 -18.3529 -18.3529 -18.3444 -18.3444 -18.3268 -18.3268 -18.3199 -18.3199 -8.7569 -8.7569 -1.8669 -1.8669 1.0464 1.0464 1.0848 1.0848 2.1146 2.1146 3.3760 3.3760 3.6741 3.6741 3.9635 3.9635 4.0926 4.0926 4.4985 4.4985 6.9881 6.9881 7.0613 7.0613 10.4896 10.4896 10.4948 10.4948 k = 0.3333 0.5774 0.2966 ( 5706 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5169 -18.5169 -18.3530 -18.3530 -18.3444 -18.3444 -18.3269 -18.3269 -18.3198 -18.3198 -8.7525 -8.7525 -1.9130 -1.9130 1.0268 1.0268 1.0656 1.0656 2.1995 2.1995 3.3822 3.3822 3.7001 3.7001 4.0014 4.0014 4.1593 4.1593 4.4899 4.4899 6.9097 6.9097 6.9820 6.9820 10.5318 10.5318 10.5359 10.5359 k = 0.3333 0.5774 0.3108 ( 5703 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5169 -18.5169 -18.3530 -18.3530 -18.3443 -18.3443 -18.3269 -18.3269 -18.3197 -18.3197 -8.7483 -8.7483 -1.9545 -1.9545 1.0090 1.0090 1.0482 1.0482 2.2784 2.2784 3.3873 3.3873 3.7189 3.7189 4.0413 4.0413 4.2243 4.2243 4.4835 4.4835 6.8347 6.8347 6.9059 6.9059 10.5751 10.5751 10.5784 10.5784 k = 0.3333 0.5774 0.3249 ( 5703 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5169 -18.5169 -18.3530 -18.3530 -18.3443 -18.3443 -18.3270 -18.3270 -18.3196 -18.3196 -8.7446 -8.7446 -1.9913 -1.9913 0.9933 0.9933 1.0327 1.0327 2.3505 2.3505 3.3914 3.3914 3.7325 3.7325 4.0797 4.0797 4.2864 4.2864 4.4802 4.4802 6.7641 6.7641 6.8340 6.8340 10.6190 10.6190 10.6217 10.6217 k = 0.3333 0.5774 0.3390 ( 5697 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5169 -18.5169 -18.3531 -18.3531 -18.3443 -18.3443 -18.3270 -18.3270 -18.3195 -18.3195 -8.7412 -8.7412 -2.0234 -2.0234 0.9796 0.9796 1.0192 1.0192 2.4151 2.4151 3.3947 3.3947 3.7423 3.7423 4.1139 4.1139 4.3443 4.3443 4.4808 4.4808 6.6992 6.6992 6.7676 6.7676 10.6626 10.6626 10.6648 10.6648 k = 0.3333 0.5774 0.3531 ( 5697 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3531 -18.3531 -18.3443 -18.3443 -18.3270 -18.3270 -18.3195 -18.3195 -8.7383 -8.7383 -2.0507 -2.0507 0.9679 0.9679 1.0077 1.0077 2.4714 2.4714 3.3973 3.3973 3.7494 3.7494 4.1417 4.1417 4.3968 4.3968 4.4853 4.4853 6.6411 6.6411 6.7080 6.7080 10.7048 10.7048 10.7068 10.7068 k = 0.3333 0.5774 0.3673 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3531 -18.3531 -18.3442 -18.3442 -18.3271 -18.3271 -18.3194 -18.3194 -8.7358 -8.7358 -2.0731 -2.0731 0.9583 0.9583 0.9983 0.9983 2.5188 2.5188 3.3994 3.3994 3.7545 3.7545 4.1625 4.1625 4.4423 4.4423 4.4932 4.4932 6.5911 6.5911 6.6565 6.6565 10.7441 10.7441 10.7459 10.7459 k = 0.3333 0.5774 0.3814 ( 5706 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3532 -18.3532 -18.3443 -18.3443 -18.3271 -18.3271 -18.3194 -18.3194 -8.7339 -8.7339 -2.0906 -2.0906 0.9508 0.9508 0.9909 0.9909 2.5565 2.5565 3.4010 3.4010 3.7581 3.7581 4.1765 4.1765 4.4797 4.4797 4.5028 4.5028 6.5506 6.5506 6.6145 6.6145 10.7785 10.7785 10.7804 10.7804 k = 0.3333 0.5774 0.3955 ( 5700 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5170 -18.5170 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3194 -18.3194 -8.7325 -8.7325 -2.1031 -2.1031 0.9455 0.9455 0.9856 0.9856 2.5839 2.5839 3.4020 3.4020 3.7605 3.7605 4.1852 4.1852 4.5075 4.5075 4.5119 4.5119 6.5206 6.5206 6.5834 6.5834 10.8059 10.8059 10.8079 10.8079 k = 0.3333 0.5774 0.4096 ( 5706 PWs) bands (ev): -78.3271 -78.3271 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5171 -18.5171 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3194 -18.3194 -8.7317 -8.7317 -2.1106 -2.1106 0.9423 0.9423 0.9825 0.9825 2.6006 2.6006 3.4027 3.4027 3.7619 3.7619 4.1896 4.1896 4.5183 4.5183 4.5246 4.5246 6.5022 6.5022 6.5642 6.5642 10.8236 10.8236 10.8257 10.8257 k = 0.3333 0.5774 0.4238 ( 5700 PWs) bands (ev): -78.3270 -78.3270 -47.1689 -47.1689 -46.4605 -46.4605 -46.4603 -46.4603 -42.8350 -42.8350 -42.5464 -42.5464 -18.5178 -18.5178 -18.5171 -18.5171 -18.3532 -18.3532 -18.3442 -18.3442 -18.3271 -18.3271 -18.3193 -18.3193 -8.7314 -8.7314 -2.1131 -2.1131 0.9412 0.9412 0.9814 0.9814 2.6062 2.6062 3.4029 3.4029 3.7624 3.7624 4.1910 4.1910 4.5206 4.5206 4.5305 4.5305 6.4960 6.4960 6.5578 6.5578 10.8298 10.8298 10.8319 10.8319 Writing output data file Na2PdC2.save init_run : 0.45s CPU 1.10s WALL ( 1 calls) electrons : 128.47s CPU 131.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 128.46s CPU 131.95s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 323 calls) cegterg : 116.85s CPU 118.42s WALL ( 323 calls) Called by sum_band: Called by *egterg: h_psi : 76.32s CPU 77.44s WALL ( 5384 calls) s_psi : 2.35s CPU 2.37s WALL ( 5384 calls) g_psi : 0.25s CPU 0.26s WALL ( 4738 calls) cdiaghg : 32.34s CPU 32.81s WALL ( 5061 calls) cegterg:over : 5.73s CPU 5.67s WALL ( 4738 calls) cegterg:upda : 4.71s CPU 4.80s WALL ( 4738 calls) cegterg:last : 3.03s CPU 3.09s WALL ( 969 calls) cdiaghg:chol : 1.96s CPU 1.89s WALL ( 5061 calls) cdiaghg:inve : 1.19s CPU 1.20s WALL ( 5061 calls) cdiaghg:para : 1.89s CPU 1.96s WALL ( 10122 calls) Called by h_psi: h_psi:vloc : 69.96s CPU 71.18s WALL ( 5384 calls) h_psi:vnl : 6.14s CPU 6.01s WALL ( 5384 calls) add_vuspsi : 2.77s CPU 2.78s WALL ( 5384 calls) General routines calbec : 3.35s CPU 3.22s WALL ( 5384 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.28s CPU 65.12s WALL ( 624608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.25s WALL ( 646 calls) Parallel routines fft_scatter : 20.98s CPU 21.33s WALL ( 624631 calls) PWSCF : 2m27.80s CPU 3m 7.84s WALL This run was terminated on: 16:23:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=