Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:38 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: ./C.save/ 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 14 7 2 426 141 28 Max 15 8 3 431 158 33 Sum 511 253 85 15375 5383 1039 bravais-lattice index = 14 lattice parameter (alat) = 4.7621 a.u. unit-cell volume = 152.9063 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.762109 celldm(2)= 1.000000 celldm(3)= 1.634921 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 1.634921 ) 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 0.611650 ) PseudoPot. # 1 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 C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 522 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 2) = ( 0.0069444 0.0040094 -0.0000000), wk = 0.0019157 k( 3) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0019157 k( 4) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0019157 k( 5) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0019157 k( 6) = ( 0.0347222 0.0200469 -0.0000000), wk = 0.0019157 k( 7) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0019157 k( 8) = ( 0.0486111 0.0280656 -0.0000000), wk = 0.0019157 k( 9) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0019157 k( 10) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0019157 k( 11) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0019157 k( 12) = ( 0.0763889 0.0441031 -0.0000000), wk = 0.0019157 k( 13) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0019157 k( 14) = ( 0.0902778 0.0521219 -0.0000000), wk = 0.0019157 k( 15) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0019157 k( 16) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0019157 k( 17) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0019157 k( 18) = ( 0.1180556 0.0681594 -0.0000000), wk = 0.0019157 k( 19) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0019157 k( 20) = ( 0.1319444 0.0761782 -0.0000000), wk = 0.0019157 k( 21) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0019157 k( 22) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0019157 k( 23) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0019157 k( 24) = ( 0.1597222 0.0922157 -0.0000000), wk = 0.0019157 k( 25) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0019157 k( 26) = ( 0.1736111 0.1002344 -0.0000000), wk = 0.0019157 k( 27) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0019157 k( 28) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0019157 k( 29) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0019157 k( 30) = ( 0.2013889 0.1162719 -0.0000000), wk = 0.0019157 k( 31) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0019157 k( 32) = ( 0.2152778 0.1242907 -0.0000000), wk = 0.0019157 k( 33) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0019157 k( 34) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0019157 k( 35) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0019157 k( 36) = ( 0.2430556 0.1403282 -0.0000000), wk = 0.0019157 k( 37) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0019157 k( 38) = ( 0.2569444 0.1483469 -0.0000000), wk = 0.0019157 k( 39) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0019157 k( 40) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0019157 k( 41) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0019157 k( 42) = ( 0.2847222 0.1643845 -0.0000000), wk = 0.0019157 k( 43) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0019157 k( 44) = ( 0.2986111 0.1724032 -0.0000000), wk = 0.0019157 k( 45) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0019157 k( 46) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0019157 k( 47) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0019157 k( 48) = ( 0.3263889 0.1884407 -0.0000000), wk = 0.0019157 k( 49) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0019157 k( 50) = ( 0.3402778 0.1964595 -0.0000000), wk = 0.0019157 k( 51) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0019157 k( 52) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0019157 k( 53) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0019157 k( 54) = ( 0.3680556 0.2124970 -0.0000000), wk = 0.0019157 k( 55) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0019157 k( 56) = ( 0.3819444 0.2205157 -0.0000000), wk = 0.0019157 k( 57) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0019157 k( 58) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0019157 k( 59) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0019157 k( 60) = ( 0.4097222 0.2365532 -0.0000000), wk = 0.0019157 k( 61) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0019157 k( 62) = ( 0.4236111 0.2445720 -0.0000000), wk = 0.0019157 k( 63) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0019157 k( 64) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0019157 k( 65) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0019157 k( 66) = ( 0.4513889 0.2606095 -0.0000000), wk = 0.0019157 k( 67) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0019157 k( 68) = ( 0.4652778 0.2686283 -0.0000000), wk = 0.0019157 k( 69) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0019157 k( 70) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0019157 k( 71) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0019157 k( 72) = ( 0.4930556 0.2846658 -0.0000000), wk = 0.0019157 k( 73) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019157 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019157 k( 75) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0019157 k( 76) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0019157 k( 77) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0019157 k( 78) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0019157 k( 79) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0019157 k( 80) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0019157 k( 81) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0019157 k( 82) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0019157 k( 83) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0019157 k( 84) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0019157 k( 85) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0019157 k( 86) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0019157 k( 87) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0019157 k( 88) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0019157 k( 89) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0019157 k( 90) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0019157 k( 91) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0019157 k( 92) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0019157 k( 93) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0019157 k( 94) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0019157 k( 95) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0019157 k( 96) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0019157 k( 97) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0019157 k( 98) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0019157 k( 99) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0019157 k( 100) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0019157 k( 101) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0019157 k( 102) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0019157 k( 103) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0019157 k( 104) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0019157 k( 105) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0019157 k( 106) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0019157 k( 107) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0019157 k( 108) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0019157 k( 109) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0019157 k( 110) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0019157 k( 111) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0019157 k( 112) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0019157 k( 113) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0019157 k( 114) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0019157 k( 115) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0019157 k( 116) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019157 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019157 k( 118) = ( 0.3293651 0.5704771 -0.0000000), wk = 0.0019157 k( 119) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0019157 k( 120) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0019157 k( 121) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0019157 k( 122) = ( 0.3134921 0.5429842 -0.0000000), wk = 0.0019157 k( 123) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0019157 k( 124) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0019157 k( 125) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0019157 k( 126) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0019157 k( 127) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0019157 k( 128) = ( 0.2896825 0.5017449 -0.0000000), wk = 0.0019157 k( 129) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0019157 k( 130) = ( 0.2817460 0.4879984 -0.0000000), wk = 0.0019157 k( 131) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0019157 k( 132) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0019157 k( 133) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0019157 k( 134) = ( 0.2658730 0.4605056 -0.0000000), wk = 0.0019157 k( 135) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0019157 k( 136) = ( 0.2579365 0.4467591 -0.0000000), wk = 0.0019157 k( 137) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0019157 k( 138) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0019157 k( 139) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0019157 k( 140) = ( 0.2420635 0.4192663 -0.0000000), wk = 0.0019157 k( 141) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0019157 k( 142) = ( 0.2341270 0.4055198 -0.0000000), wk = 0.0019157 k( 143) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0019157 k( 144) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0019157 k( 145) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0019157 k( 146) = ( 0.2182540 0.3780270 -0.0000000), wk = 0.0019157 k( 147) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0019157 k( 148) = ( 0.2103175 0.3642805 -0.0000000), wk = 0.0019157 k( 149) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0019157 k( 150) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0019157 k( 151) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0019157 k( 152) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0019157 k( 153) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0019157 k( 154) = ( 0.1865079 0.3230412 -0.0000000), wk = 0.0019157 k( 155) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0019157 k( 156) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0019157 k( 157) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0019157 k( 158) = ( 0.1706349 0.2955484 -0.0000000), wk = 0.0019157 k( 159) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0019157 k( 160) = ( 0.1626984 0.2818019 -0.0000000), wk = 0.0019157 k( 161) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0019157 k( 162) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0019157 k( 163) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0019157 k( 164) = ( 0.1468254 0.2543091 -0.0000000), wk = 0.0019157 k( 165) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0019157 k( 166) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0019157 k( 167) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0019157 k( 168) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0019157 k( 169) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0019157 k( 170) = ( 0.1230159 0.2130697 -0.0000000), wk = 0.0019157 k( 171) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0019157 k( 172) = ( 0.1150794 0.1993233 -0.0000000), wk = 0.0019157 k( 173) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0019157 k( 174) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0019157 k( 175) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0019157 k( 176) = ( 0.0992063 0.1718304 -0.0000000), wk = 0.0019157 k( 177) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0019157 k( 178) = ( 0.0912698 0.1580840 -0.0000000), wk = 0.0019157 k( 179) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0019157 k( 180) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0019157 k( 181) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0019157 k( 182) = ( 0.0753968 0.1305911 -0.0000000), wk = 0.0019157 k( 183) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0019157 k( 184) = ( 0.0674603 0.1168447 -0.0000000), wk = 0.0019157 k( 185) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0019157 k( 186) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0019157 k( 187) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0019157 k( 188) = ( 0.0515873 0.0893518 -0.0000000), wk = 0.0019157 k( 189) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0019157 k( 190) = ( 0.0436508 0.0756054 -0.0000000), wk = 0.0019157 k( 191) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0019157 k( 192) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0019157 k( 193) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0019157 k( 194) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0019157 k( 195) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0019157 k( 196) = ( 0.0198413 0.0343661 -0.0000000), wk = 0.0019157 k( 197) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0019157 k( 198) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0019157 k( 199) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0019157 k( 200) = ( 0.0039683 0.0068732 -0.0000000), wk = 0.0019157 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 203) = ( 0.0000000 0.0000000 0.0078417), wk = 0.0019157 k( 204) = ( 0.0000000 0.0000000 0.0156833), wk = 0.0019157 k( 205) = ( 0.0000000 0.0000000 0.0235250), wk = 0.0019157 k( 206) = ( 0.0000000 0.0000000 0.0313667), wk = 0.0019157 k( 207) = ( 0.0000000 0.0000000 0.0392084), wk = 0.0019157 k( 208) = ( 0.0000000 0.0000000 0.0470500), wk = 0.0019157 k( 209) = ( 0.0000000 0.0000000 0.0548917), wk = 0.0019157 k( 210) = ( 0.0000000 0.0000000 0.0627334), wk = 0.0019157 k( 211) = ( 0.0000000 0.0000000 0.0705751), wk = 0.0019157 k( 212) = ( 0.0000000 0.0000000 0.0784167), wk = 0.0019157 k( 213) = ( 0.0000000 0.0000000 0.0862584), wk = 0.0019157 k( 214) = ( 0.0000000 0.0000000 0.0941001), wk = 0.0019157 k( 215) = ( 0.0000000 0.0000000 0.1019417), wk = 0.0019157 k( 216) = ( 0.0000000 0.0000000 0.1097834), wk = 0.0019157 k( 217) = ( 0.0000000 0.0000000 0.1176251), wk = 0.0019157 k( 218) = ( 0.0000000 0.0000000 0.1254668), wk = 0.0019157 k( 219) = ( 0.0000000 0.0000000 0.1333084), wk = 0.0019157 k( 220) = ( 0.0000000 0.0000000 0.1411501), wk = 0.0019157 k( 221) = ( 0.0000000 0.0000000 0.1489918), wk = 0.0019157 k( 222) = ( 0.0000000 0.0000000 0.1568335), wk = 0.0019157 k( 223) = ( 0.0000000 0.0000000 0.1646751), wk = 0.0019157 k( 224) = ( 0.0000000 0.0000000 0.1725168), wk = 0.0019157 k( 225) = ( 0.0000000 0.0000000 0.1803585), wk = 0.0019157 k( 226) = ( 0.0000000 0.0000000 0.1882002), wk = 0.0019157 k( 227) = ( 0.0000000 0.0000000 0.1960418), wk = 0.0019157 k( 228) = ( 0.0000000 0.0000000 0.2038835), wk = 0.0019157 k( 229) = ( 0.0000000 0.0000000 0.2117252), wk = 0.0019157 k( 230) = ( 0.0000000 0.0000000 0.2195668), wk = 0.0019157 k( 231) = ( 0.0000000 0.0000000 0.2274085), wk = 0.0019157 k( 232) = ( 0.0000000 0.0000000 0.2352502), wk = 0.0019157 k( 233) = ( 0.0000000 0.0000000 0.2430919), wk = 0.0019157 k( 234) = ( 0.0000000 0.0000000 0.2509335), wk = 0.0019157 k( 235) = ( 0.0000000 0.0000000 0.2587752), wk = 0.0019157 k( 236) = ( 0.0000000 0.0000000 0.2666169), wk = 0.0019157 k( 237) = ( 0.0000000 0.0000000 0.2744586), wk = 0.0019157 k( 238) = ( 0.0000000 0.0000000 0.2823002), wk = 0.0019157 k( 239) = ( 0.0000000 0.0000000 0.2901419), wk = 0.0019157 k( 240) = ( 0.0000000 0.0000000 0.2979836), wk = 0.0019157 k( 241) = ( 0.0000000 0.0000000 0.3058252), wk = 0.0019157 k( 242) = ( 0.0000000 0.0000000 0.3058252), wk = 0.0019157 k( 243) = ( 0.0069444 0.0040094 0.3058252), wk = 0.0019157 k( 244) = ( 0.0138889 0.0080188 0.3058252), wk = 0.0019157 k( 245) = ( 0.0208333 0.0120281 0.3058252), wk = 0.0019157 k( 246) = ( 0.0277778 0.0160375 0.3058252), wk = 0.0019157 k( 247) = ( 0.0347222 0.0200469 0.3058252), wk = 0.0019157 k( 248) = ( 0.0416667 0.0240563 0.3058252), wk = 0.0019157 k( 249) = ( 0.0486111 0.0280656 0.3058252), wk = 0.0019157 k( 250) = ( 0.0555556 0.0320750 0.3058252), wk = 0.0019157 k( 251) = ( 0.0625000 0.0360844 0.3058252), wk = 0.0019157 k( 252) = ( 0.0694444 0.0400938 0.3058252), wk = 0.0019157 k( 253) = ( 0.0763889 0.0441031 0.3058252), wk = 0.0019157 k( 254) = ( 0.0833333 0.0481125 0.3058252), wk = 0.0019157 k( 255) = ( 0.0902778 0.0521219 0.3058252), wk = 0.0019157 k( 256) = ( 0.0972222 0.0561313 0.3058252), wk = 0.0019157 k( 257) = ( 0.1041667 0.0601407 0.3058252), wk = 0.0019157 k( 258) = ( 0.1111111 0.0641500 0.3058252), wk = 0.0019157 k( 259) = ( 0.1180556 0.0681594 0.3058252), wk = 0.0019157 k( 260) = ( 0.1250000 0.0721688 0.3058252), wk = 0.0019157 k( 261) = ( 0.1319444 0.0761782 0.3058252), wk = 0.0019157 k( 262) = ( 0.1388889 0.0801875 0.3058252), wk = 0.0019157 k( 263) = ( 0.1458333 0.0841969 0.3058252), wk = 0.0019157 k( 264) = ( 0.1527778 0.0882063 0.3058252), wk = 0.0019157 k( 265) = ( 0.1597222 0.0922157 0.3058252), wk = 0.0019157 k( 266) = ( 0.1666667 0.0962250 0.3058252), wk = 0.0019157 k( 267) = ( 0.1736111 0.1002344 0.3058252), wk = 0.0019157 k( 268) = ( 0.1805556 0.1042438 0.3058252), wk = 0.0019157 k( 269) = ( 0.1875000 0.1082532 0.3058252), wk = 0.0019157 k( 270) = ( 0.1944444 0.1122625 0.3058252), wk = 0.0019157 k( 271) = ( 0.2013889 0.1162719 0.3058252), wk = 0.0019157 k( 272) = ( 0.2083333 0.1202813 0.3058252), wk = 0.0019157 k( 273) = ( 0.2152778 0.1242907 0.3058252), wk = 0.0019157 k( 274) = ( 0.2222222 0.1283001 0.3058252), wk = 0.0019157 k( 275) = ( 0.2291667 0.1323094 0.3058252), wk = 0.0019157 k( 276) = ( 0.2361111 0.1363188 0.3058252), wk = 0.0019157 k( 277) = ( 0.2430556 0.1403282 0.3058252), wk = 0.0019157 k( 278) = ( 0.2500000 0.1443376 0.3058252), wk = 0.0019157 k( 279) = ( 0.2569444 0.1483469 0.3058252), wk = 0.0019157 k( 280) = ( 0.2638889 0.1523563 0.3058252), wk = 0.0019157 k( 281) = ( 0.2708333 0.1563657 0.3058252), wk = 0.0019157 k( 282) = ( 0.2777778 0.1603751 0.3058252), wk = 0.0019157 k( 283) = ( 0.2847222 0.1643845 0.3058252), wk = 0.0019157 k( 284) = ( 0.2916667 0.1683938 0.3058252), wk = 0.0019157 k( 285) = ( 0.2986111 0.1724032 0.3058252), wk = 0.0019157 k( 286) = ( 0.3055556 0.1764126 0.3058252), wk = 0.0019157 k( 287) = ( 0.3125000 0.1804220 0.3058252), wk = 0.0019157 k( 288) = ( 0.3194444 0.1844313 0.3058252), wk = 0.0019157 k( 289) = ( 0.3263889 0.1884407 0.3058252), wk = 0.0019157 k( 290) = ( 0.3333333 0.1924501 0.3058252), wk = 0.0019157 k( 291) = ( 0.3402778 0.1964595 0.3058252), wk = 0.0019157 k( 292) = ( 0.3472222 0.2004688 0.3058252), wk = 0.0019157 k( 293) = ( 0.3541667 0.2044782 0.3058252), wk = 0.0019157 k( 294) = ( 0.3611111 0.2084876 0.3058252), wk = 0.0019157 k( 295) = ( 0.3680556 0.2124970 0.3058252), wk = 0.0019157 k( 296) = ( 0.3750000 0.2165064 0.3058252), wk = 0.0019157 k( 297) = ( 0.3819444 0.2205157 0.3058252), wk = 0.0019157 k( 298) = ( 0.3888889 0.2245251 0.3058252), wk = 0.0019157 k( 299) = ( 0.3958333 0.2285345 0.3058252), wk = 0.0019157 k( 300) = ( 0.4027778 0.2325439 0.3058252), wk = 0.0019157 k( 301) = ( 0.4097222 0.2365532 0.3058252), wk = 0.0019157 k( 302) = ( 0.4166667 0.2405626 0.3058252), wk = 0.0019157 k( 303) = ( 0.4236111 0.2445720 0.3058252), wk = 0.0019157 k( 304) = ( 0.4305556 0.2485814 0.3058252), wk = 0.0019157 k( 305) = ( 0.4375000 0.2525907 0.3058252), wk = 0.0019157 k( 306) = ( 0.4444444 0.2566001 0.3058252), wk = 0.0019157 k( 307) = ( 0.4513889 0.2606095 0.3058252), wk = 0.0019157 k( 308) = ( 0.4583333 0.2646189 0.3058252), wk = 0.0019157 k( 309) = ( 0.4652778 0.2686283 0.3058252), wk = 0.0019157 k( 310) = ( 0.4722222 0.2726376 0.3058252), wk = 0.0019157 k( 311) = ( 0.4791667 0.2766470 0.3058252), wk = 0.0019157 k( 312) = ( 0.4861111 0.2806564 0.3058252), wk = 0.0019157 k( 313) = ( 0.4930556 0.2846658 0.3058252), wk = 0.0019157 k( 314) = ( 0.5000000 0.2886751 0.3058252), wk = 0.0019157 k( 315) = ( 0.5000000 0.2886751 0.3058252), wk = 0.0019157 k( 316) = ( 0.4960317 0.2955484 0.3058252), wk = 0.0019157 k( 317) = ( 0.4920635 0.3024216 0.3058252), wk = 0.0019157 k( 318) = ( 0.4880952 0.3092948 0.3058252), wk = 0.0019157 k( 319) = ( 0.4841270 0.3161680 0.3058252), wk = 0.0019157 k( 320) = ( 0.4801587 0.3230412 0.3058252), wk = 0.0019157 k( 321) = ( 0.4761905 0.3299144 0.3058252), wk = 0.0019157 k( 322) = ( 0.4722222 0.3367877 0.3058252), wk = 0.0019157 k( 323) = ( 0.4682540 0.3436609 0.3058252), wk = 0.0019157 k( 324) = ( 0.4642857 0.3505341 0.3058252), wk = 0.0019157 k( 325) = ( 0.4603175 0.3574073 0.3058252), wk = 0.0019157 k( 326) = ( 0.4563492 0.3642805 0.3058252), wk = 0.0019157 k( 327) = ( 0.4523810 0.3711537 0.3058252), wk = 0.0019157 k( 328) = ( 0.4484127 0.3780270 0.3058252), wk = 0.0019157 k( 329) = ( 0.4444444 0.3849002 0.3058252), wk = 0.0019157 k( 330) = ( 0.4404762 0.3917734 0.3058252), wk = 0.0019157 k( 331) = ( 0.4365079 0.3986466 0.3058252), wk = 0.0019157 k( 332) = ( 0.4325397 0.4055198 0.3058252), wk = 0.0019157 k( 333) = ( 0.4285714 0.4123930 0.3058252), wk = 0.0019157 k( 334) = ( 0.4246032 0.4192663 0.3058252), wk = 0.0019157 k( 335) = ( 0.4206349 0.4261395 0.3058252), wk = 0.0019157 k( 336) = ( 0.4166667 0.4330127 0.3058252), wk = 0.0019157 k( 337) = ( 0.4126984 0.4398859 0.3058252), wk = 0.0019157 k( 338) = ( 0.4087302 0.4467591 0.3058252), wk = 0.0019157 k( 339) = ( 0.4047619 0.4536324 0.3058252), wk = 0.0019157 k( 340) = ( 0.4007937 0.4605056 0.3058252), wk = 0.0019157 k( 341) = ( 0.3968254 0.4673788 0.3058252), wk = 0.0019157 k( 342) = ( 0.3928571 0.4742520 0.3058252), wk = 0.0019157 k( 343) = ( 0.3888889 0.4811252 0.3058252), wk = 0.0019157 k( 344) = ( 0.3849206 0.4879984 0.3058252), wk = 0.0019157 k( 345) = ( 0.3809524 0.4948717 0.3058252), wk = 0.0019157 k( 346) = ( 0.3769841 0.5017449 0.3058252), wk = 0.0019157 k( 347) = ( 0.3730159 0.5086181 0.3058252), wk = 0.0019157 k( 348) = ( 0.3690476 0.5154913 0.3058252), wk = 0.0019157 k( 349) = ( 0.3650794 0.5223645 0.3058252), wk = 0.0019157 k( 350) = ( 0.3611111 0.5292377 0.3058252), wk = 0.0019157 k( 351) = ( 0.3571429 0.5361110 0.3058252), wk = 0.0019157 k( 352) = ( 0.3531746 0.5429842 0.3058252), wk = 0.0019157 k( 353) = ( 0.3492063 0.5498574 0.3058252), wk = 0.0019157 k( 354) = ( 0.3452381 0.5567306 0.3058252), wk = 0.0019157 k( 355) = ( 0.3412698 0.5636038 0.3058252), wk = 0.0019157 k( 356) = ( 0.3373016 0.5704771 0.3058252), wk = 0.0019157 k( 357) = ( 0.3333333 0.5773503 0.3058252), wk = 0.0019157 k( 358) = ( 0.3333333 0.5773503 0.3058252), wk = 0.0019157 k( 359) = ( 0.3293651 0.5704771 0.3058252), wk = 0.0019157 k( 360) = ( 0.3253968 0.5636038 0.3058252), wk = 0.0019157 k( 361) = ( 0.3214286 0.5567306 0.3058252), wk = 0.0019157 k( 362) = ( 0.3174603 0.5498574 0.3058252), wk = 0.0019157 k( 363) = ( 0.3134921 0.5429842 0.3058252), wk = 0.0019157 k( 364) = ( 0.3095238 0.5361110 0.3058252), wk = 0.0019157 k( 365) = ( 0.3055556 0.5292378 0.3058252), wk = 0.0019157 k( 366) = ( 0.3015873 0.5223645 0.3058252), wk = 0.0019157 k( 367) = ( 0.2976190 0.5154913 0.3058252), wk = 0.0019157 k( 368) = ( 0.2936508 0.5086181 0.3058252), wk = 0.0019157 k( 369) = ( 0.2896825 0.5017449 0.3058252), wk = 0.0019157 k( 370) = ( 0.2857143 0.4948717 0.3058252), wk = 0.0019157 k( 371) = ( 0.2817460 0.4879984 0.3058252), wk = 0.0019157 k( 372) = ( 0.2777778 0.4811252 0.3058252), wk = 0.0019157 k( 373) = ( 0.2738095 0.4742520 0.3058252), wk = 0.0019157 k( 374) = ( 0.2698413 0.4673788 0.3058252), wk = 0.0019157 k( 375) = ( 0.2658730 0.4605056 0.3058252), wk = 0.0019157 k( 376) = ( 0.2619048 0.4536324 0.3058252), wk = 0.0019157 k( 377) = ( 0.2579365 0.4467591 0.3058252), wk = 0.0019157 k( 378) = ( 0.2539683 0.4398859 0.3058252), wk = 0.0019157 k( 379) = ( 0.2500000 0.4330127 0.3058252), wk = 0.0019157 k( 380) = ( 0.2460317 0.4261395 0.3058252), wk = 0.0019157 k( 381) = ( 0.2420635 0.4192663 0.3058252), wk = 0.0019157 k( 382) = ( 0.2380952 0.4123931 0.3058252), wk = 0.0019157 k( 383) = ( 0.2341270 0.4055198 0.3058252), wk = 0.0019157 k( 384) = ( 0.2301587 0.3986466 0.3058252), wk = 0.0019157 k( 385) = ( 0.2261905 0.3917734 0.3058252), wk = 0.0019157 k( 386) = ( 0.2222222 0.3849002 0.3058252), wk = 0.0019157 k( 387) = ( 0.2182540 0.3780270 0.3058252), wk = 0.0019157 k( 388) = ( 0.2142857 0.3711537 0.3058252), wk = 0.0019157 k( 389) = ( 0.2103175 0.3642805 0.3058252), wk = 0.0019157 k( 390) = ( 0.2063492 0.3574073 0.3058252), wk = 0.0019157 k( 391) = ( 0.2023810 0.3505341 0.3058252), wk = 0.0019157 k( 392) = ( 0.1984127 0.3436609 0.3058252), wk = 0.0019157 k( 393) = ( 0.1944444 0.3367876 0.3058252), wk = 0.0019157 k( 394) = ( 0.1904762 0.3299144 0.3058252), wk = 0.0019157 k( 395) = ( 0.1865079 0.3230412 0.3058252), wk = 0.0019157 k( 396) = ( 0.1825397 0.3161680 0.3058252), wk = 0.0019157 k( 397) = ( 0.1785714 0.3092948 0.3058252), wk = 0.0019157 k( 398) = ( 0.1746032 0.3024216 0.3058252), wk = 0.0019157 k( 399) = ( 0.1706349 0.2955484 0.3058252), wk = 0.0019157 k( 400) = ( 0.1666667 0.2886751 0.3058252), wk = 0.0019157 k( 401) = ( 0.1626984 0.2818019 0.3058252), wk = 0.0019157 k( 402) = ( 0.1587302 0.2749287 0.3058252), wk = 0.0019157 k( 403) = ( 0.1547619 0.2680555 0.3058252), wk = 0.0019157 k( 404) = ( 0.1507937 0.2611823 0.3058252), wk = 0.0019157 k( 405) = ( 0.1468254 0.2543091 0.3058252), wk = 0.0019157 k( 406) = ( 0.1428571 0.2474358 0.3058252), wk = 0.0019157 k( 407) = ( 0.1388889 0.2405626 0.3058252), wk = 0.0019157 k( 408) = ( 0.1349206 0.2336894 0.3058252), wk = 0.0019157 k( 409) = ( 0.1309524 0.2268162 0.3058252), wk = 0.0019157 k( 410) = ( 0.1269841 0.2199430 0.3058252), wk = 0.0019157 k( 411) = ( 0.1230159 0.2130697 0.3058252), wk = 0.0019157 k( 412) = ( 0.1190476 0.2061965 0.3058252), wk = 0.0019157 k( 413) = ( 0.1150794 0.1993233 0.3058252), wk = 0.0019157 k( 414) = ( 0.1111111 0.1924501 0.3058252), wk = 0.0019157 k( 415) = ( 0.1071429 0.1855769 0.3058252), wk = 0.0019157 k( 416) = ( 0.1031746 0.1787036 0.3058252), wk = 0.0019157 k( 417) = ( 0.0992063 0.1718304 0.3058252), wk = 0.0019157 k( 418) = ( 0.0952381 0.1649572 0.3058252), wk = 0.0019157 k( 419) = ( 0.0912698 0.1580840 0.3058252), wk = 0.0019157 k( 420) = ( 0.0873016 0.1512108 0.3058252), wk = 0.0019157 k( 421) = ( 0.0833333 0.1443376 0.3058252), wk = 0.0019157 k( 422) = ( 0.0793651 0.1374644 0.3058252), wk = 0.0019157 k( 423) = ( 0.0753968 0.1305911 0.3058252), wk = 0.0019157 k( 424) = ( 0.0714286 0.1237179 0.3058252), wk = 0.0019157 k( 425) = ( 0.0674603 0.1168447 0.3058252), wk = 0.0019157 k( 426) = ( 0.0634921 0.1099715 0.3058252), wk = 0.0019157 k( 427) = ( 0.0595238 0.1030983 0.3058252), wk = 0.0019157 k( 428) = ( 0.0555556 0.0962251 0.3058252), wk = 0.0019157 k( 429) = ( 0.0515873 0.0893518 0.3058252), wk = 0.0019157 k( 430) = ( 0.0476191 0.0824786 0.3058252), wk = 0.0019157 k( 431) = ( 0.0436508 0.0756054 0.3058252), wk = 0.0019157 k( 432) = ( 0.0396825 0.0687322 0.3058252), wk = 0.0019157 k( 433) = ( 0.0357143 0.0618590 0.3058252), wk = 0.0019157 k( 434) = ( 0.0317460 0.0549857 0.3058252), wk = 0.0019157 k( 435) = ( 0.0277778 0.0481125 0.3058252), wk = 0.0019157 k( 436) = ( 0.0238095 0.0412393 0.3058252), wk = 0.0019157 k( 437) = ( 0.0198413 0.0343661 0.3058252), wk = 0.0019157 k( 438) = ( 0.0158730 0.0274929 0.3058252), wk = 0.0019157 k( 439) = ( 0.0119048 0.0206196 0.3058252), wk = 0.0019157 k( 440) = ( 0.0079365 0.0137464 0.3058252), wk = 0.0019157 k( 441) = ( 0.0039683 0.0068732 0.3058252), wk = 0.0019157 k( 442) = ( 0.0000000 0.0000000 0.3058252), wk = 0.0019157 k( 443) = ( 0.5000000 0.2886751 0.3058252), wk = 0.0019157 k( 444) = ( 0.5000000 0.2886751 0.2979836), wk = 0.0019157 k( 445) = ( 0.5000000 0.2886751 0.2901419), wk = 0.0019157 k( 446) = ( 0.5000000 0.2886751 0.2823002), wk = 0.0019157 k( 447) = ( 0.5000000 0.2886751 0.2744586), wk = 0.0019157 k( 448) = ( 0.5000000 0.2886751 0.2666169), wk = 0.0019157 k( 449) = ( 0.5000000 0.2886751 0.2587752), wk = 0.0019157 k( 450) = ( 0.5000000 0.2886751 0.2509335), wk = 0.0019157 k( 451) = ( 0.5000000 0.2886751 0.2430919), wk = 0.0019157 k( 452) = ( 0.5000000 0.2886751 0.2352502), wk = 0.0019157 k( 453) = ( 0.5000000 0.2886751 0.2274085), wk = 0.0019157 k( 454) = ( 0.5000000 0.2886751 0.2195668), wk = 0.0019157 k( 455) = ( 0.5000000 0.2886751 0.2117252), wk = 0.0019157 k( 456) = ( 0.5000000 0.2886751 0.2038835), wk = 0.0019157 k( 457) = ( 0.5000000 0.2886751 0.1960418), wk = 0.0019157 k( 458) = ( 0.5000000 0.2886751 0.1882002), wk = 0.0019157 k( 459) = ( 0.5000000 0.2886751 0.1803585), wk = 0.0019157 k( 460) = ( 0.5000000 0.2886751 0.1725168), wk = 0.0019157 k( 461) = ( 0.5000000 0.2886751 0.1646751), wk = 0.0019157 k( 462) = ( 0.5000000 0.2886751 0.1568335), wk = 0.0019157 k( 463) = ( 0.5000000 0.2886751 0.1489918), wk = 0.0019157 k( 464) = ( 0.5000000 0.2886751 0.1411501), wk = 0.0019157 k( 465) = ( 0.5000000 0.2886751 0.1333084), wk = 0.0019157 k( 466) = ( 0.5000000 0.2886751 0.1254668), wk = 0.0019157 k( 467) = ( 0.5000000 0.2886751 0.1176251), wk = 0.0019157 k( 468) = ( 0.5000000 0.2886751 0.1097834), wk = 0.0019157 k( 469) = ( 0.5000000 0.2886751 0.1019417), wk = 0.0019157 k( 470) = ( 0.5000000 0.2886751 0.0941001), wk = 0.0019157 k( 471) = ( 0.5000000 0.2886751 0.0862584), wk = 0.0019157 k( 472) = ( 0.5000000 0.2886751 0.0784167), wk = 0.0019157 k( 473) = ( 0.5000000 0.2886751 0.0705751), wk = 0.0019157 k( 474) = ( 0.5000000 0.2886751 0.0627334), wk = 0.0019157 k( 475) = ( 0.5000000 0.2886751 0.0548917), wk = 0.0019157 k( 476) = ( 0.5000000 0.2886751 0.0470500), wk = 0.0019157 k( 477) = ( 0.5000000 0.2886751 0.0392084), wk = 0.0019157 k( 478) = ( 0.5000000 0.2886751 0.0313667), wk = 0.0019157 k( 479) = ( 0.5000000 0.2886751 0.0235250), wk = 0.0019157 k( 480) = ( 0.5000000 0.2886751 0.0156833), wk = 0.0019157 k( 481) = ( 0.5000000 0.2886751 0.0078417), wk = 0.0019157 k( 482) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019157 k( 483) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019157 k( 484) = ( 0.3333333 0.5773503 0.0078417), wk = 0.0019157 k( 485) = ( 0.3333333 0.5773503 0.0156833), wk = 0.0019157 k( 486) = ( 0.3333333 0.5773503 0.0235250), wk = 0.0019157 k( 487) = ( 0.3333333 0.5773503 0.0313667), wk = 0.0019157 k( 488) = ( 0.3333333 0.5773503 0.0392084), wk = 0.0019157 k( 489) = ( 0.3333333 0.5773503 0.0470500), wk = 0.0019157 k( 490) = ( 0.3333333 0.5773503 0.0548917), wk = 0.0019157 k( 491) = ( 0.3333333 0.5773503 0.0627334), wk = 0.0019157 k( 492) = ( 0.3333333 0.5773503 0.0705751), wk = 0.0019157 k( 493) = ( 0.3333333 0.5773503 0.0784167), wk = 0.0019157 k( 494) = ( 0.3333333 0.5773503 0.0862584), wk = 0.0019157 k( 495) = ( 0.3333333 0.5773503 0.0941001), wk = 0.0019157 k( 496) = ( 0.3333333 0.5773503 0.1019417), wk = 0.0019157 k( 497) = ( 0.3333333 0.5773503 0.1097834), wk = 0.0019157 k( 498) = ( 0.3333333 0.5773503 0.1176251), wk = 0.0019157 k( 499) = ( 0.3333333 0.5773503 0.1254668), wk = 0.0019157 k( 500) = ( 0.3333333 0.5773503 0.1333084), wk = 0.0019157 k( 501) = ( 0.3333333 0.5773503 0.1411501), wk = 0.0019157 k( 502) = ( 0.3333333 0.5773503 0.1489918), wk = 0.0019157 k( 503) = ( 0.3333333 0.5773503 0.1568335), wk = 0.0019157 k( 504) = ( 0.3333333 0.5773503 0.1646751), wk = 0.0019157 k( 505) = ( 0.3333333 0.5773503 0.1725168), wk = 0.0019157 k( 506) = ( 0.3333333 0.5773503 0.1803585), wk = 0.0019157 k( 507) = ( 0.3333333 0.5773503 0.1882002), wk = 0.0019157 k( 508) = ( 0.3333333 0.5773503 0.1960418), wk = 0.0019157 k( 509) = ( 0.3333333 0.5773503 0.2038835), wk = 0.0019157 k( 510) = ( 0.3333333 0.5773503 0.2117252), wk = 0.0019157 k( 511) = ( 0.3333333 0.5773503 0.2195668), wk = 0.0019157 k( 512) = ( 0.3333333 0.5773503 0.2274085), wk = 0.0019157 k( 513) = ( 0.3333333 0.5773503 0.2352502), wk = 0.0019157 k( 514) = ( 0.3333333 0.5773503 0.2430919), wk = 0.0019157 k( 515) = ( 0.3333333 0.5773503 0.2509335), wk = 0.0019157 k( 516) = ( 0.3333333 0.5773503 0.2587752), wk = 0.0019157 k( 517) = ( 0.3333333 0.5773503 0.2666169), wk = 0.0019157 k( 518) = ( 0.3333333 0.5773503 0.2744586), wk = 0.0019157 k( 519) = ( 0.3333333 0.5773503 0.2823002), wk = 0.0019157 k( 520) = ( 0.3333333 0.5773503 0.2901419), wk = 0.0019157 k( 521) = ( 0.3333333 0.5773503 0.2979836), wk = 0.0019157 k( 522) = ( 0.3333333 0.5773503 0.3058252), wk = 0.0019157 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 2) = ( 0.0069444 -0.0000000 -0.0000000), wk = 0.0019157 k( 3) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0019157 k( 4) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0019157 k( 5) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0019157 k( 6) = ( 0.0347222 -0.0000000 -0.0000000), wk = 0.0019157 k( 7) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0019157 k( 8) = ( 0.0486111 0.0000000 0.0000000), wk = 0.0019157 k( 9) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0019157 k( 10) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0019157 k( 11) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0019157 k( 12) = ( 0.0763889 -0.0000000 0.0000000), wk = 0.0019157 k( 13) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0019157 k( 14) = ( 0.0902778 0.0000000 -0.0000000), wk = 0.0019157 k( 15) = ( 0.0972222 0.0000000 0.0000000), wk = 0.0019157 k( 16) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0019157 k( 17) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0019157 k( 18) = ( 0.1180556 -0.0000000 -0.0000000), wk = 0.0019157 k( 19) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0019157 k( 20) = ( 0.1319444 -0.0000000 -0.0000000), wk = 0.0019157 k( 21) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0019157 k( 22) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0019157 k( 23) = ( 0.1527778 -0.0000000 0.0000000), wk = 0.0019157 k( 24) = ( 0.1597222 -0.0000000 -0.0000000), wk = 0.0019157 k( 25) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0019157 k( 26) = ( 0.1736111 0.0000000 -0.0000000), wk = 0.0019157 k( 27) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0019157 k( 28) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0019157 k( 29) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0019157 k( 30) = ( 0.2013889 0.0000000 -0.0000000), wk = 0.0019157 k( 31) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0019157 k( 32) = ( 0.2152778 0.0000000 -0.0000000), wk = 0.0019157 k( 33) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0019157 k( 34) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0019157 k( 35) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0019157 k( 36) = ( 0.2430556 -0.0000000 -0.0000000), wk = 0.0019157 k( 37) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0019157 k( 38) = ( 0.2569444 0.0000000 0.0000000), wk = 0.0019157 k( 39) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0019157 k( 40) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0019157 k( 41) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0019157 k( 42) = ( 0.2847222 -0.0000000 -0.0000000), wk = 0.0019157 k( 43) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0019157 k( 44) = ( 0.2986111 0.0000000 -0.0000000), wk = 0.0019157 k( 45) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0019157 k( 46) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0019157 k( 47) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0019157 k( 48) = ( 0.3263889 -0.0000000 -0.0000000), wk = 0.0019157 k( 49) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0019157 k( 50) = ( 0.3402778 0.0000000 -0.0000000), wk = 0.0019157 k( 51) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0019157 k( 52) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0019157 k( 53) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0019157 k( 54) = ( 0.3680556 0.0000000 -0.0000000), wk = 0.0019157 k( 55) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0019157 k( 56) = ( 0.3819444 0.0000000 -0.0000000), wk = 0.0019157 k( 57) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0019157 k( 58) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0019157 k( 59) = ( 0.4027778 0.0000000 -0.0000000), wk = 0.0019157 k( 60) = ( 0.4097222 0.0000000 -0.0000000), wk = 0.0019157 k( 61) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0019157 k( 62) = ( 0.4236111 -0.0000000 -0.0000000), wk = 0.0019157 k( 63) = ( 0.4305556 0.0000000 -0.0000000), wk = 0.0019157 k( 64) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0019157 k( 65) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0019157 k( 66) = ( 0.4513889 -0.0000000 -0.0000000), wk = 0.0019157 k( 67) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0019157 k( 68) = ( 0.4652778 -0.0000000 -0.0000000), wk = 0.0019157 k( 69) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0019157 k( 70) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0019157 k( 71) = ( 0.4861111 0.0000000 -0.0000000), wk = 0.0019157 k( 72) = ( 0.4930556 -0.0000000 -0.0000000), wk = 0.0019157 k( 73) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019157 k( 74) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019157 k( 75) = ( 0.4960317 0.0079365 0.0000000), wk = 0.0019157 k( 76) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0019157 k( 77) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0019157 k( 78) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0019157 k( 79) = ( 0.4801587 0.0396825 -0.0000000), wk = 0.0019157 k( 80) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0019157 k( 81) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0019157 k( 82) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0019157 k( 83) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0019157 k( 84) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0019157 k( 85) = ( 0.4563492 0.0873016 -0.0000000), wk = 0.0019157 k( 86) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0019157 k( 87) = ( 0.4484127 0.1031746 -0.0000000), wk = 0.0019157 k( 88) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0019157 k( 89) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0019157 k( 90) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0019157 k( 91) = ( 0.4325397 0.1349206 -0.0000000), wk = 0.0019157 k( 92) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0019157 k( 93) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0019157 k( 94) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0019157 k( 95) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0019157 k( 96) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0019157 k( 97) = ( 0.4087302 0.1825397 -0.0000000), wk = 0.0019157 k( 98) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0019157 k( 99) = ( 0.4007937 0.1984127 -0.0000000), wk = 0.0019157 k( 100) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0019157 k( 101) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0019157 k( 102) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0019157 k( 103) = ( 0.3849206 0.2301587 0.0000000), wk = 0.0019157 k( 104) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0019157 k( 105) = ( 0.3769841 0.2460317 -0.0000000), wk = 0.0019157 k( 106) = ( 0.3730159 0.2539682 0.0000000), wk = 0.0019157 k( 107) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0019157 k( 108) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0019157 k( 109) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0019157 k( 110) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0019157 k( 111) = ( 0.3531746 0.2936508 0.0000000), wk = 0.0019157 k( 112) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0019157 k( 113) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0019157 k( 114) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0019157 k( 115) = ( 0.3373016 0.3253968 0.0000000), wk = 0.0019157 k( 116) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019157 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019157 k( 118) = ( 0.3293651 0.3293651 -0.0000000), wk = 0.0019157 k( 119) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0019157 k( 120) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0019157 k( 121) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0019157 k( 122) = ( 0.3134921 0.3134921 0.0000000), wk = 0.0019157 k( 123) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0019157 k( 124) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0019157 k( 125) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0019157 k( 126) = ( 0.2976190 0.2976191 0.0000000), wk = 0.0019157 k( 127) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0019157 k( 128) = ( 0.2896825 0.2896825 -0.0000000), wk = 0.0019157 k( 129) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0019157 k( 130) = ( 0.2817460 0.2817460 -0.0000000), wk = 0.0019157 k( 131) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0019157 k( 132) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0019157 k( 133) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0019157 k( 134) = ( 0.2658730 0.2658730 -0.0000000), wk = 0.0019157 k( 135) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0019157 k( 136) = ( 0.2579365 0.2579365 -0.0000000), wk = 0.0019157 k( 137) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0019157 k( 138) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0019157 k( 139) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0019157 k( 140) = ( 0.2420635 0.2420635 0.0000000), wk = 0.0019157 k( 141) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0019157 k( 142) = ( 0.2341270 0.2341270 -0.0000000), wk = 0.0019157 k( 143) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0019157 k( 144) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0019157 k( 145) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0019157 k( 146) = ( 0.2182540 0.2182540 -0.0000000), wk = 0.0019157 k( 147) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0019157 k( 148) = ( 0.2103175 0.2103175 0.0000000), wk = 0.0019157 k( 149) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0019157 k( 150) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0019157 k( 151) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0019157 k( 152) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0019157 k( 153) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0019157 k( 154) = ( 0.1865079 0.1865079 -0.0000000), wk = 0.0019157 k( 155) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0019157 k( 156) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0019157 k( 157) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0019157 k( 158) = ( 0.1706349 0.1706349 -0.0000000), wk = 0.0019157 k( 159) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0019157 k( 160) = ( 0.1626984 0.1626984 0.0000000), wk = 0.0019157 k( 161) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0019157 k( 162) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0019157 k( 163) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0019157 k( 164) = ( 0.1468254 0.1468254 0.0000000), wk = 0.0019157 k( 165) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0019157 k( 166) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0019157 k( 167) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0019157 k( 168) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0019157 k( 169) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0019157 k( 170) = ( 0.1230159 0.1230159 -0.0000000), wk = 0.0019157 k( 171) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0019157 k( 172) = ( 0.1150794 0.1150794 -0.0000000), wk = 0.0019157 k( 173) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0019157 k( 174) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0019157 k( 175) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0019157 k( 176) = ( 0.0992063 0.0992064 0.0000000), wk = 0.0019157 k( 177) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0019157 k( 178) = ( 0.0912698 0.0912698 -0.0000000), wk = 0.0019157 k( 179) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0019157 k( 180) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0019157 k( 181) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0019157 k( 182) = ( 0.0753968 0.0753968 0.0000000), wk = 0.0019157 k( 183) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0019157 k( 184) = ( 0.0674603 0.0674603 -0.0000000), wk = 0.0019157 k( 185) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0019157 k( 186) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0019157 k( 187) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0019157 k( 188) = ( 0.0515873 0.0515873 0.0000000), wk = 0.0019157 k( 189) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0019157 k( 190) = ( 0.0436508 0.0436508 0.0000000), wk = 0.0019157 k( 191) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0019157 k( 192) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0019157 k( 193) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0019157 k( 194) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0019157 k( 195) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0019157 k( 196) = ( 0.0198413 0.0198413 -0.0000000), wk = 0.0019157 k( 197) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0019157 k( 198) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0019157 k( 199) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0019157 k( 200) = ( 0.0039683 0.0039683 0.0000000), wk = 0.0019157 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019157 k( 203) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0019157 k( 204) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0019157 k( 205) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0019157 k( 206) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0019157 k( 207) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0019157 k( 208) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0019157 k( 209) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0019157 k( 210) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0019157 k( 211) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0019157 k( 212) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0019157 k( 213) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0019157 k( 214) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0019157 k( 215) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019157 k( 216) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0019157 k( 217) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0019157 k( 218) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0019157 k( 219) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0019157 k( 220) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0019157 k( 221) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0019157 k( 222) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0019157 k( 223) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0019157 k( 224) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0019157 k( 225) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0019157 k( 226) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0019157 k( 227) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0019157 k( 228) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019157 k( 229) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0019157 k( 230) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0019157 k( 231) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0019157 k( 232) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0019157 k( 233) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0019157 k( 234) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0019157 k( 235) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0019157 k( 236) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0019157 k( 237) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0019157 k( 238) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0019157 k( 239) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0019157 k( 240) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0019157 k( 241) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019157 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019157 k( 243) = ( 0.0069444 -0.0000000 0.5000000), wk = 0.0019157 k( 244) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0019157 k( 245) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0019157 k( 246) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0019157 k( 247) = ( 0.0347222 -0.0000000 0.5000000), wk = 0.0019157 k( 248) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0019157 k( 249) = ( 0.0486111 0.0000000 0.5000000), wk = 0.0019157 k( 250) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0019157 k( 251) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0019157 k( 252) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0019157 k( 253) = ( 0.0763889 -0.0000000 0.5000000), wk = 0.0019157 k( 254) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0019157 k( 255) = ( 0.0902778 0.0000000 0.5000000), wk = 0.0019157 k( 256) = ( 0.0972222 0.0000000 0.5000000), wk = 0.0019157 k( 257) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0019157 k( 258) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0019157 k( 259) = ( 0.1180556 -0.0000000 0.5000000), wk = 0.0019157 k( 260) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0019157 k( 261) = ( 0.1319444 -0.0000000 0.5000000), wk = 0.0019157 k( 262) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0019157 k( 263) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0019157 k( 264) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0019157 k( 265) = ( 0.1597222 -0.0000000 0.5000000), wk = 0.0019157 k( 266) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0019157 k( 267) = ( 0.1736111 0.0000000 0.5000000), wk = 0.0019157 k( 268) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0019157 k( 269) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0019157 k( 270) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0019157 k( 271) = ( 0.2013889 0.0000000 0.5000000), wk = 0.0019157 k( 272) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0019157 k( 273) = ( 0.2152778 0.0000000 0.5000000), wk = 0.0019157 k( 274) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0019157 k( 275) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0019157 k( 276) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0019157 k( 277) = ( 0.2430556 -0.0000000 0.5000000), wk = 0.0019157 k( 278) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0019157 k( 279) = ( 0.2569444 0.0000000 0.5000000), wk = 0.0019157 k( 280) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0019157 k( 281) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0019157 k( 282) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0019157 k( 283) = ( 0.2847222 -0.0000000 0.5000000), wk = 0.0019157 k( 284) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0019157 k( 285) = ( 0.2986111 0.0000000 0.5000000), wk = 0.0019157 k( 286) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0019157 k( 287) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0019157 k( 288) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0019157 k( 289) = ( 0.3263889 -0.0000000 0.5000000), wk = 0.0019157 k( 290) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0019157 k( 291) = ( 0.3402778 0.0000000 0.5000000), wk = 0.0019157 k( 292) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0019157 k( 293) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0019157 k( 294) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0019157 k( 295) = ( 0.3680556 0.0000000 0.5000000), wk = 0.0019157 k( 296) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0019157 k( 297) = ( 0.3819444 0.0000000 0.5000000), wk = 0.0019157 k( 298) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0019157 k( 299) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0019157 k( 300) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0019157 k( 301) = ( 0.4097222 0.0000000 0.5000000), wk = 0.0019157 k( 302) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0019157 k( 303) = ( 0.4236111 -0.0000000 0.5000000), wk = 0.0019157 k( 304) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0019157 k( 305) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0019157 k( 306) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0019157 k( 307) = ( 0.4513889 -0.0000000 0.5000000), wk = 0.0019157 k( 308) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0019157 k( 309) = ( 0.4652778 -0.0000000 0.5000000), wk = 0.0019157 k( 310) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0019157 k( 311) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0019157 k( 312) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0019157 k( 313) = ( 0.4930556 -0.0000000 0.5000000), wk = 0.0019157 k( 314) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019157 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019157 k( 316) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0019157 k( 317) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0019157 k( 318) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0019157 k( 319) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0019157 k( 320) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0019157 k( 321) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0019157 k( 322) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0019157 k( 323) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0019157 k( 324) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0019157 k( 325) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0019157 k( 326) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0019157 k( 327) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0019157 k( 328) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0019157 k( 329) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0019157 k( 330) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0019157 k( 331) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0019157 k( 332) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0019157 k( 333) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0019157 k( 334) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0019157 k( 335) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0019157 k( 336) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0019157 k( 337) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0019157 k( 338) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0019157 k( 339) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0019157 k( 340) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0019157 k( 341) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0019157 k( 342) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0019157 k( 343) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0019157 k( 344) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0019157 k( 345) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0019157 k( 346) = ( 0.3769841 0.2460317 0.5000000), wk = 0.0019157 k( 347) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0019157 k( 348) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0019157 k( 349) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0019157 k( 350) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0019157 k( 351) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0019157 k( 352) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0019157 k( 353) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0019157 k( 354) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0019157 k( 355) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0019157 k( 356) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0019157 k( 357) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019157 k( 358) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019157 k( 359) = ( 0.3293651 0.3293651 0.5000000), wk = 0.0019157 k( 360) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0019157 k( 361) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0019157 k( 362) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0019157 k( 363) = ( 0.3134921 0.3134921 0.5000000), wk = 0.0019157 k( 364) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0019157 k( 365) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0019157 k( 366) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0019157 k( 367) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0019157 k( 368) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0019157 k( 369) = ( 0.2896825 0.2896825 0.5000000), wk = 0.0019157 k( 370) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0019157 k( 371) = ( 0.2817460 0.2817460 0.5000000), wk = 0.0019157 k( 372) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0019157 k( 373) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0019157 k( 374) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0019157 k( 375) = ( 0.2658730 0.2658730 0.5000000), wk = 0.0019157 k( 376) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0019157 k( 377) = ( 0.2579365 0.2579365 0.5000000), wk = 0.0019157 k( 378) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0019157 k( 379) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0019157 k( 380) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0019157 k( 381) = ( 0.2420635 0.2420635 0.5000000), wk = 0.0019157 k( 382) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0019157 k( 383) = ( 0.2341270 0.2341270 0.5000000), wk = 0.0019157 k( 384) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0019157 k( 385) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0019157 k( 386) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0019157 k( 387) = ( 0.2182540 0.2182540 0.5000000), wk = 0.0019157 k( 388) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0019157 k( 389) = ( 0.2103175 0.2103175 0.5000000), wk = 0.0019157 k( 390) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0019157 k( 391) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0019157 k( 392) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0019157 k( 393) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0019157 k( 394) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0019157 k( 395) = ( 0.1865079 0.1865079 0.5000000), wk = 0.0019157 k( 396) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0019157 k( 397) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0019157 k( 398) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0019157 k( 399) = ( 0.1706349 0.1706349 0.5000000), wk = 0.0019157 k( 400) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0019157 k( 401) = ( 0.1626984 0.1626984 0.5000000), wk = 0.0019157 k( 402) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0019157 k( 403) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0019157 k( 404) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0019157 k( 405) = ( 0.1468254 0.1468254 0.5000000), wk = 0.0019157 k( 406) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0019157 k( 407) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0019157 k( 408) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0019157 k( 409) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0019157 k( 410) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0019157 k( 411) = ( 0.1230159 0.1230159 0.5000000), wk = 0.0019157 k( 412) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0019157 k( 413) = ( 0.1150794 0.1150794 0.5000000), wk = 0.0019157 k( 414) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0019157 k( 415) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0019157 k( 416) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0019157 k( 417) = ( 0.0992063 0.0992064 0.5000000), wk = 0.0019157 k( 418) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0019157 k( 419) = ( 0.0912698 0.0912698 0.5000000), wk = 0.0019157 k( 420) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0019157 k( 421) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0019157 k( 422) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0019157 k( 423) = ( 0.0753968 0.0753968 0.5000000), wk = 0.0019157 k( 424) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0019157 k( 425) = ( 0.0674603 0.0674603 0.5000000), wk = 0.0019157 k( 426) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0019157 k( 427) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0019157 k( 428) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0019157 k( 429) = ( 0.0515873 0.0515873 0.5000000), wk = 0.0019157 k( 430) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0019157 k( 431) = ( 0.0436508 0.0436508 0.5000000), wk = 0.0019157 k( 432) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0019157 k( 433) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0019157 k( 434) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0019157 k( 435) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0019157 k( 436) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0019157 k( 437) = ( 0.0198413 0.0198413 0.5000000), wk = 0.0019157 k( 438) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0019157 k( 439) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0019157 k( 440) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0019157 k( 441) = ( 0.0039683 0.0039683 0.5000000), wk = 0.0019157 k( 442) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019157 k( 443) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019157 k( 444) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0019157 k( 445) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0019157 k( 446) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0019157 k( 447) = ( 0.5000000 0.0000000 0.4487180), wk = 0.0019157 k( 448) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0019157 k( 449) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0019157 k( 450) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0019157 k( 451) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0019157 k( 452) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0019157 k( 453) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0019157 k( 454) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0019157 k( 455) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0019157 k( 456) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0019157 k( 457) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0019157 k( 458) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0019157 k( 459) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0019157 k( 460) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0019157 k( 461) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0019157 k( 462) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0019157 k( 463) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0019157 k( 464) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0019157 k( 465) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0019157 k( 466) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0019157 k( 467) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0019157 k( 468) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0019157 k( 469) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0019157 k( 470) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0019157 k( 471) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0019157 k( 472) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0019157 k( 473) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0019157 k( 474) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0019157 k( 475) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0019157 k( 476) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0019157 k( 477) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0019157 k( 478) = ( 0.5000000 0.0000000 0.0512821), wk = 0.0019157 k( 479) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0019157 k( 480) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0019157 k( 481) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0019157 k( 482) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019157 k( 483) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019157 k( 484) = ( 0.3333333 0.3333333 0.0128205), wk = 0.0019157 k( 485) = ( 0.3333333 0.3333333 0.0256410), wk = 0.0019157 k( 486) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0019157 k( 487) = ( 0.3333333 0.3333333 0.0512821), wk = 0.0019157 k( 488) = ( 0.3333333 0.3333333 0.0641026), wk = 0.0019157 k( 489) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0019157 k( 490) = ( 0.3333333 0.3333333 0.0897436), wk = 0.0019157 k( 491) = ( 0.3333333 0.3333333 0.1025641), wk = 0.0019157 k( 492) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0019157 k( 493) = ( 0.3333333 0.3333333 0.1282051), wk = 0.0019157 k( 494) = ( 0.3333333 0.3333333 0.1410256), wk = 0.0019157 k( 495) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0019157 k( 496) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0019157 k( 497) = ( 0.3333333 0.3333333 0.1794872), wk = 0.0019157 k( 498) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0019157 k( 499) = ( 0.3333333 0.3333333 0.2051282), wk = 0.0019157 k( 500) = ( 0.3333333 0.3333333 0.2179487), wk = 0.0019157 k( 501) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0019157 k( 502) = ( 0.3333333 0.3333333 0.2435897), wk = 0.0019157 k( 503) = ( 0.3333333 0.3333333 0.2564103), wk = 0.0019157 k( 504) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0019157 k( 505) = ( 0.3333333 0.3333333 0.2820513), wk = 0.0019157 k( 506) = ( 0.3333333 0.3333333 0.2948718), wk = 0.0019157 k( 507) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0019157 k( 508) = ( 0.3333333 0.3333333 0.3205128), wk = 0.0019157 k( 509) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0019157 k( 510) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0019157 k( 511) = ( 0.3333333 0.3333333 0.3589744), wk = 0.0019157 k( 512) = ( 0.3333333 0.3333333 0.3717949), wk = 0.0019157 k( 513) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0019157 k( 514) = ( 0.3333333 0.3333333 0.3974359), wk = 0.0019157 k( 515) = ( 0.3333333 0.3333333 0.4102564), wk = 0.0019157 k( 516) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0019157 k( 517) = ( 0.3333333 0.3333333 0.4358974), wk = 0.0019157 k( 518) = ( 0.3333333 0.3333333 0.4487179), wk = 0.0019157 k( 519) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0019157 k( 520) = ( 0.3333333 0.3333333 0.4743590), wk = 0.0019157 k( 521) = ( 0.3333333 0.3333333 0.4871795), wk = 0.0019157 k( 522) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019157 Dense grid: 15375 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 5383 G-vectors FFT dimensions: ( 20, 20, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 42, 24) NL pseudopotentials 0.02 Mb ( 21, 56) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 428) G-vector shells 0.00 Mb ( 221) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 42, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.3 secs Computing kpt #: 6 total cpu time spent up to now is 1.4 secs Computing kpt #: 7 total cpu time spent up to now is 1.5 secs Computing kpt #: 8 total cpu time spent up to now is 1.5 secs Computing kpt #: 9 total cpu time spent up to now is 1.6 secs Computing kpt #: 10 total cpu time spent up to now is 1.6 secs Computing kpt #: 11 total cpu time spent up to now is 1.7 secs Computing kpt #: 12 total cpu time spent up to now is 1.7 secs Computing kpt #: 13 total cpu time spent up to now is 1.8 secs Computing kpt #: 14 total cpu time spent up to now is 1.9 secs Computing kpt #: 15 total cpu time spent up to now is 1.9 secs Computing kpt #: 16 total cpu time spent up to now is 2.0 secs Computing kpt #: 17 total cpu time spent up to now is 2.0 secs Computing kpt #: 18 total cpu time spent up to now is 2.1 secs Computing kpt #: 19 total cpu time spent up to now is 2.2 secs Computing kpt #: 20 total cpu time spent up to now is 2.2 secs Computing kpt #: 21 total cpu time spent up to now is 2.3 secs Computing kpt #: 22 total cpu time spent up to now is 2.3 secs Computing kpt #: 23 total cpu time spent up to now is 2.4 secs Computing kpt #: 24 total cpu time spent up to now is 2.5 secs Computing kpt #: 25 total cpu time spent up to now is 2.5 secs Computing kpt #: 26 total cpu time spent up to now is 2.6 secs Computing kpt #: 27 total cpu time spent up to now is 2.7 secs Computing kpt #: 28 total cpu time spent up to now is 2.7 secs Computing kpt #: 29 total cpu time spent up to now is 2.8 secs Computing kpt #: 30 total cpu time spent up to now is 2.9 secs Computing kpt #: 31 total cpu time spent up to now is 2.9 secs Computing kpt #: 32 total cpu time spent up to now is 3.0 secs Computing kpt #: 33 total cpu time spent up to now is 3.1 secs Computing kpt #: 34 total cpu time spent up to now is 3.2 secs Computing kpt #: 35 total cpu time spent up to now is 3.3 secs Computing kpt #: 36 total cpu time spent up to now is 3.4 secs Computing kpt #: 37 total cpu time spent up to now is 3.5 secs Computing kpt #: 38 total cpu time spent up to now is 3.6 secs Computing kpt #: 39 total cpu time spent up to now is 3.6 secs Computing kpt #: 40 total cpu time spent up to now is 3.7 secs Computing kpt #: 41 total cpu time spent up to now is 3.8 secs Computing kpt #: 42 total cpu time spent up to now is 3.9 secs Computing kpt #: 43 total cpu time spent up to now is 3.9 secs Computing kpt #: 44 total cpu time spent up to now is 4.0 secs Computing kpt #: 45 total cpu time spent up to now is 4.1 secs Computing kpt #: 46 total cpu time spent up to now is 4.1 secs Computing kpt #: 47 total cpu time spent up to now is 4.2 secs Computing kpt #: 48 total cpu time spent up to now is 4.3 secs Computing kpt #: 49 total cpu time spent up to now is 4.4 secs Computing kpt #: 50 total cpu time spent up to now is 4.4 secs Computing kpt #: 51 total cpu time spent up to now is 4.5 secs Computing kpt #: 52 total cpu time spent up to now is 4.6 secs Computing kpt #: 53 total cpu time spent up to now is 4.6 secs Computing kpt #: 54 total cpu time spent up to now is 4.7 secs Computing kpt #: 55 total cpu time spent up to now is 4.8 secs Computing kpt #: 56 total cpu time spent up to now is 4.9 secs Computing kpt #: 57 total cpu time spent up to now is 4.9 secs Computing kpt #: 58 total cpu time spent up to now is 5.1 secs Computing kpt #: 59 total cpu time spent up to now is 5.2 secs Computing kpt #: 60 total cpu time spent up to now is 5.3 secs Computing kpt #: 61 total cpu time spent up to now is 5.3 secs Computing kpt #: 62 total cpu time spent up to now is 5.4 secs Computing kpt #: 63 total cpu time spent up to now is 5.5 secs Computing kpt #: 64 total cpu time spent up to now is 5.5 secs Computing kpt #: 65 total cpu time spent up to now is 5.6 secs Computing kpt #: 66 total cpu time spent up to now is 5.7 secs Computing kpt #: 67 total cpu time spent up to now is 5.8 secs Computing kpt #: 68 total cpu time spent up to now is 5.8 secs Computing kpt #: 69 total cpu time spent up to now is 5.9 secs Computing kpt #: 70 total cpu time spent up to now is 6.0 secs Computing kpt #: 71 total cpu time spent up to now is 6.0 secs Computing kpt #: 72 total cpu time spent up to now is 6.1 secs Computing kpt #: 73 total cpu time spent up to now is 6.2 secs Computing kpt #: 74 total cpu time spent up to now is 6.2 secs Computing kpt #: 75 total cpu time spent up to now is 6.3 secs Computing kpt #: 76 total cpu time spent up to now is 6.4 secs Computing kpt #: 77 total cpu time spent up to now is 6.4 secs Computing kpt #: 78 total cpu time spent up to 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110 total cpu time spent up to now is 8.8 secs Computing kpt #: 111 total cpu time spent up to now is 8.8 secs Computing kpt #: 112 total cpu time spent up to now is 8.9 secs Computing kpt #: 113 total cpu time spent up to now is 9.0 secs Computing kpt #: 114 total cpu time spent up to now is 9.1 secs Computing kpt #: 115 total cpu time spent up to now is 9.2 secs Computing kpt #: 116 total cpu time spent up to now is 9.3 secs Computing kpt #: 117 total cpu time spent up to now is 9.4 secs Computing kpt #: 118 total cpu time spent up to now is 9.5 secs Computing kpt #: 119 total cpu time spent up to now is 9.6 secs Computing kpt #: 120 total cpu time spent up to now is 9.7 secs Computing kpt #: 121 total cpu time spent up to now is 9.8 secs Computing kpt #: 122 total cpu time spent up to now is 9.8 secs Computing kpt #: 123 total cpu time spent up to now is 9.9 secs Computing kpt #: 124 total cpu time spent up to now is 10.0 secs Computing kpt #: 125 total cpu time spent up to now is 10.0 secs Computing kpt #: 126 total cpu time spent up to now is 10.1 secs Computing kpt #: 127 total cpu time spent up to now is 10.2 secs Computing kpt #: 128 total cpu time spent up to now is 10.2 secs Computing kpt #: 129 total cpu time spent up to now is 10.3 secs Computing kpt #: 130 total cpu time spent up to now is 10.4 secs Computing kpt #: 131 total cpu time spent up to now is 10.4 secs Computing kpt #: 132 total cpu time spent up to now is 10.5 secs Computing kpt #: 133 total cpu time spent up to now is 10.5 secs Computing kpt #: 134 total cpu time spent up to now is 10.6 secs Computing kpt #: 135 total cpu time spent up to now is 10.7 secs Computing kpt #: 136 total cpu time spent up to now is 10.7 secs Computing kpt #: 137 total cpu time spent up to now is 10.8 secs Computing kpt #: 138 total cpu time spent up to now is 10.9 secs Computing kpt #: 139 total cpu time spent up to now is 10.9 secs Computing kpt #: 140 total cpu time spent up to now is 11.0 secs Computing kpt #: 141 total cpu time spent up to now is 11.0 secs Computing kpt #: 142 total cpu time spent up to now is 11.1 secs Computing kpt #: 143 total cpu time spent up to now is 11.2 secs Computing kpt #: 144 total cpu time spent up to now is 11.2 secs Computing kpt #: 145 total cpu time spent up to now is 11.3 secs Computing kpt #: 146 total cpu time spent up to now is 11.3 secs Computing kpt #: 147 total cpu time spent up to now is 11.4 secs Computing kpt #: 148 total cpu time spent up to now is 11.5 secs Computing kpt #: 149 total cpu time spent up to now is 11.5 secs Computing kpt #: 150 total cpu time spent up to now is 11.6 secs Computing kpt #: 151 total cpu time spent up to now is 11.6 secs Computing kpt #: 152 total cpu time spent up to now is 11.7 secs Computing kpt #: 153 total cpu time spent up to now is 11.8 secs Computing kpt #: 154 total cpu time spent up to now is 11.8 secs Computing kpt #: 155 total cpu time spent up to now is 11.9 secs Computing kpt #: 156 total cpu time spent up to now is 11.9 secs Computing kpt #: 157 total cpu time spent up to now is 12.0 secs Computing kpt #: 158 total cpu time spent up to now is 12.1 secs Computing kpt #: 159 total cpu time spent up to now is 12.1 secs Computing kpt #: 160 total cpu time spent up to now is 12.2 secs Computing kpt #: 161 total cpu time spent up to now is 12.3 secs Computing kpt #: 162 total cpu time spent up to now is 12.3 secs Computing kpt #: 163 total cpu time spent up to now is 12.4 secs Computing kpt #: 164 total cpu time spent up to now is 12.4 secs Computing kpt #: 165 total cpu time spent up to now is 12.5 secs Computing kpt #: 166 total cpu time spent up to now is 12.6 secs Computing kpt #: 167 total cpu time spent up to now is 12.6 secs Computing kpt #: 168 total cpu time spent up to now is 12.7 secs Computing kpt #: 169 total cpu time spent up to now is 12.7 secs Computing kpt #: 170 total cpu time spent up to now is 12.8 secs Computing kpt #: 171 total cpu time spent up to now is 12.9 secs Computing kpt #: 172 total cpu time spent up to now is 12.9 secs Computing kpt #: 173 total cpu time spent up to now is 13.0 secs Computing kpt #: 174 total cpu time spent up to now is 13.1 secs Computing kpt #: 175 total cpu time spent up to now is 13.1 secs Computing kpt #: 176 total cpu time spent up to now is 13.2 secs Computing kpt #: 177 total cpu time spent up to now is 13.2 secs Computing kpt #: 178 total cpu time spent up to now is 13.3 secs Computing kpt #: 179 total cpu time spent up to now is 13.4 secs Computing kpt #: 180 total cpu time spent up to now is 13.4 secs Computing kpt #: 181 total cpu time spent up to now is 13.5 secs Computing kpt #: 182 total cpu time spent up to now is 13.5 secs Computing kpt #: 183 total cpu time spent up to now is 13.6 secs Computing kpt #: 184 total cpu time spent up to now is 13.6 secs Computing kpt #: 185 total cpu time spent up to now is 13.7 secs Computing kpt #: 186 total cpu time spent up to now is 13.8 secs Computing kpt #: 187 total cpu time spent up to now is 13.8 secs Computing kpt #: 188 total cpu time spent up to now is 13.9 secs Computing kpt #: 189 total cpu time spent up to now is 13.9 secs Computing kpt #: 190 total cpu time spent up to now is 14.0 secs Computing kpt #: 191 total cpu time spent up to now is 14.0 secs Computing kpt #: 192 total cpu time spent up to now is 14.1 secs Computing kpt #: 193 total cpu time spent up to now is 14.2 secs Computing kpt #: 194 total cpu time spent up to now is 14.2 secs Computing kpt #: 195 total cpu time spent up to now is 14.3 secs Computing kpt #: 196 total cpu time spent up to now is 14.3 secs Computing kpt #: 197 total cpu time spent up to now is 14.4 secs Computing kpt #: 198 total cpu time spent up to now is 14.4 secs Computing kpt #: 199 total cpu time spent up to now is 14.5 secs Computing kpt #: 200 total cpu time spent up to now is 14.6 secs Computing kpt #: 201 total cpu time spent up to now is 14.6 secs Computing kpt #: 202 total cpu time spent up to now is 14.7 secs Computing kpt #: 203 total cpu time spent up to now is 14.7 secs Computing kpt #: 204 total cpu time spent up to now is 14.8 secs Computing kpt #: 205 total cpu time spent up to now is 14.8 secs Computing kpt #: 206 total cpu time spent up to now is 14.9 secs Computing kpt #: 207 total cpu time spent up to now is 15.0 secs Computing kpt #: 208 total cpu time spent up to now is 15.0 secs Computing kpt #: 209 total cpu time spent up to now is 15.1 secs Computing kpt #: 210 total cpu time spent up to now is 15.1 secs Computing kpt #: 211 total cpu time spent up to now is 15.2 secs Computing kpt #: 212 total cpu time spent up to now is 15.2 secs Computing kpt #: 213 total cpu time spent up to now is 15.3 secs Computing kpt #: 214 total cpu time spent up to now is 15.4 secs Computing kpt #: 215 total cpu time spent up to now is 15.4 secs Computing kpt #: 216 total cpu time spent up to now is 15.5 secs Computing kpt #: 217 total cpu time spent up to now is 15.5 secs Computing kpt #: 218 total cpu time spent up to now is 15.6 secs Computing kpt #: 219 total cpu time spent up to now is 15.6 secs Computing kpt #: 220 total cpu time spent up to now is 15.7 secs Computing kpt #: 221 total cpu time spent up to now is 15.8 secs Computing kpt #: 222 total cpu time spent up to now is 15.8 secs Computing kpt #: 223 total cpu time spent up to now is 15.9 secs Computing kpt #: 224 total cpu time spent up to now is 15.9 secs Computing kpt #: 225 total cpu time spent up to now is 16.0 secs Computing kpt #: 226 total cpu time spent up to now is 16.0 secs Computing kpt #: 227 total cpu time spent up to now is 16.1 secs Computing kpt #: 228 total cpu time spent up to now is 16.2 secs Computing kpt #: 229 total cpu time spent up to now is 16.2 secs Computing kpt #: 230 total cpu time spent up to now is 16.3 secs Computing kpt #: 231 total cpu time spent up to now is 16.4 secs Computing kpt #: 232 total cpu time spent up to now is 16.4 secs Computing kpt #: 233 total cpu time spent up to now is 16.5 secs Computing kpt #: 234 total cpu time spent up to now is 16.6 secs Computing kpt #: 235 total cpu time spent up to now is 16.7 secs Computing kpt #: 236 total cpu time spent up to now is 16.7 secs Computing kpt #: 237 total cpu time spent up to now is 16.8 secs Computing kpt #: 238 total cpu time spent up to now is 16.9 secs Computing kpt #: 239 total cpu time spent up to now is 17.0 secs Computing kpt #: 240 total cpu time spent up to now is 17.1 secs Computing kpt #: 241 total cpu time spent up to now is 17.2 secs Computing kpt #: 242 total cpu time spent up to now is 17.3 secs Computing kpt #: 243 total cpu time spent up to now is 17.4 secs Computing kpt #: 244 total cpu time spent up to now is 17.4 secs Computing kpt #: 245 total cpu time spent up to now is 17.5 secs Computing kpt #: 246 total cpu time spent up to now is 17.6 secs Computing kpt #: 247 total cpu time spent up to now is 17.7 secs Computing kpt #: 248 total cpu time spent up to now is 17.8 secs Computing kpt #: 249 total cpu time spent up to now is 17.9 secs Computing kpt #: 250 total cpu time spent up to now is 18.0 secs Computing kpt #: 251 total cpu time spent up to now is 18.0 secs Computing kpt #: 252 total cpu time spent up to now is 18.1 secs Computing kpt #: 253 total cpu time spent up to now is 18.2 secs Computing kpt #: 254 total cpu time spent up to now is 18.3 secs Computing kpt #: 255 total cpu time spent up to now is 18.4 secs Computing kpt #: 256 total cpu time spent up to now is 18.5 secs Computing kpt #: 257 total cpu time spent up to now is 18.6 secs Computing kpt #: 258 total cpu time spent up to now is 18.7 secs Computing kpt #: 259 total cpu time spent up to now is 18.7 secs Computing kpt #: 260 total cpu time spent up to now is 18.8 secs Computing kpt #: 261 total cpu time spent up to now is 18.9 secs Computing kpt #: 262 total cpu time spent up to now is 19.0 secs Computing kpt #: 263 total cpu time spent up to now is 19.1 secs Computing kpt #: 264 total cpu time spent up to now is 19.2 secs Computing kpt #: 265 total cpu time spent up to now is 19.3 secs Computing kpt #: 266 total cpu time spent up to now is 19.3 secs Computing kpt #: 267 total cpu time spent up to now is 19.4 secs Computing kpt #: 268 total cpu time spent up to now is 19.5 secs Computing kpt #: 269 total cpu time spent up to now is 19.6 secs Computing kpt #: 270 total cpu time spent up to now is 19.7 secs Computing kpt #: 271 total cpu time spent up to now is 19.8 secs Computing kpt #: 272 total cpu time spent up to now is 19.9 secs Computing kpt #: 273 total cpu time spent up to now is 20.0 secs Computing kpt #: 274 total cpu time spent up to now is 20.1 secs Computing kpt #: 275 total cpu time spent up to now is 20.2 secs Computing kpt #: 276 total cpu time spent up to now is 20.3 secs Computing kpt #: 277 total cpu time spent up to now is 20.4 secs Computing kpt #: 278 total cpu time spent up to now is 20.4 secs Computing kpt #: 279 total cpu time spent up to now is 20.5 secs Computing kpt #: 280 total cpu time spent up to now is 20.6 secs Computing kpt #: 281 total cpu time spent up to now is 20.7 secs Computing kpt #: 282 total cpu time spent up to now is 20.7 secs Computing kpt #: 283 total cpu time spent up to now is 20.8 secs Computing kpt #: 284 total cpu time spent up to now is 20.9 secs Computing kpt #: 285 total cpu time spent up to now is 20.9 secs Computing kpt #: 286 total cpu time spent up to now is 21.0 secs Computing kpt #: 287 total cpu time spent up to now is 21.1 secs Computing kpt #: 288 total cpu time spent up to now is 21.1 secs Computing kpt #: 289 total cpu time spent up to now is 21.2 secs Computing kpt #: 290 total cpu time spent up to now is 21.2 secs Computing kpt #: 291 total cpu time spent up to now is 21.3 secs Computing kpt #: 292 total cpu time spent up to now is 21.4 secs Computing kpt #: 293 total cpu time spent up to now is 21.4 secs Computing kpt #: 294 total cpu time spent up to now is 21.5 secs Computing kpt #: 295 total cpu time spent up to now is 21.5 secs Computing kpt #: 296 total cpu time spent up to now is 21.6 secs Computing kpt #: 297 total cpu time spent up to now is 21.6 secs Computing kpt #: 298 total cpu time spent up to now is 21.7 secs Computing kpt #: 299 total cpu time spent up to now is 21.8 secs Computing kpt #: 300 total cpu time spent up to now is 21.8 secs Computing kpt #: 301 total cpu time spent up to now is 21.9 secs Computing kpt #: 302 total cpu time spent up to now is 21.9 secs Computing kpt #: 303 total cpu time spent up to now is 22.0 secs Computing kpt #: 304 total cpu time spent up to now is 22.1 secs Computing kpt #: 305 total cpu time spent up to now is 22.1 secs Computing kpt #: 306 total cpu time spent up to now is 22.2 secs Computing kpt #: 307 total cpu time spent up to now is 22.2 secs Computing kpt #: 308 total cpu time spent up to now is 22.3 secs Computing kpt #: 309 total cpu time spent up to now is 22.4 secs Computing kpt #: 310 total cpu time spent up to now is 22.4 secs Computing kpt #: 311 total cpu time spent up to now is 22.5 secs Computing kpt #: 312 total cpu time spent up to now is 22.6 secs Computing kpt #: 313 total cpu time spent up to now is 22.6 secs Computing kpt #: 314 total cpu time spent up to now is 22.7 secs Computing kpt #: 315 total cpu time spent up to now is 22.7 secs Computing kpt #: 316 total cpu time spent up to now is 22.8 secs Computing kpt #: 317 total cpu time spent up to now is 22.9 secs Computing kpt #: 318 total cpu time spent up to now is 22.9 secs Computing kpt #: 319 total cpu time spent up to now is 23.0 secs Computing kpt #: 320 total cpu time spent up to now is 23.1 secs Computing kpt #: 321 total cpu time spent up to now is 23.1 secs Computing kpt #: 322 total cpu time spent up to now is 23.2 secs Computing kpt #: 323 total cpu time spent up to now is 23.2 secs Computing kpt #: 324 total cpu time spent up to now is 23.3 secs Computing kpt #: 325 total cpu time spent up to now is 23.4 secs Computing kpt #: 326 total cpu time spent up to now is 23.4 secs Computing kpt #: 327 total cpu time spent up to now is 23.5 secs Computing kpt #: 328 total cpu time spent up to now is 23.5 secs Computing kpt #: 329 total cpu time spent up to now is 23.6 secs Computing kpt #: 330 total cpu time spent up to now is 23.7 secs Computing kpt #: 331 total cpu time spent up to now is 23.7 secs Computing kpt #: 332 total cpu time spent up to now is 23.8 secs Computing kpt #: 333 total cpu time spent up to now is 23.9 secs Computing kpt #: 334 total cpu time spent up to now is 23.9 secs Computing kpt #: 335 total cpu time spent up to now is 24.0 secs Computing kpt #: 336 total cpu time spent up to now is 24.1 secs Computing kpt #: 337 total cpu time spent up to now is 24.1 secs Computing kpt #: 338 total cpu time spent up to now is 24.2 secs Computing kpt #: 339 total cpu time spent up to now is 24.3 secs Computing kpt #: 340 total cpu time spent up to now is 24.4 secs Computing kpt #: 341 total cpu time spent up to now is 24.4 secs Computing kpt #: 342 total cpu time spent up to now is 24.5 secs Computing kpt #: 343 total cpu time spent up to now is 24.6 secs Computing kpt #: 344 total cpu time spent up to now is 24.7 secs Computing kpt #: 345 total cpu time spent up to now is 24.7 secs Computing kpt #: 346 total cpu time spent up to now is 24.8 secs Computing kpt #: 347 total cpu time spent up to now is 24.9 secs Computing kpt #: 348 total cpu time spent up to now is 25.0 secs Computing kpt #: 349 total cpu time spent up to now is 25.1 secs Computing kpt #: 350 total cpu time spent up to now is 25.2 secs Computing kpt #: 351 total cpu time spent up to now is 25.3 secs Computing kpt #: 352 total cpu time spent up to now is 25.3 secs Computing kpt #: 353 total cpu time spent up to now is 25.4 secs Computing kpt #: 354 total cpu time spent up to now is 25.5 secs Computing kpt #: 355 total cpu time spent up to now is 25.6 secs Computing kpt #: 356 total cpu time spent up to now is 25.7 secs Computing kpt #: 357 total cpu time spent up to now is 25.8 secs Computing kpt #: 358 total cpu time spent up to now is 25.8 secs Computing kpt #: 359 total cpu time spent up to now is 25.9 secs Computing kpt #: 360 total cpu time spent up to now is 26.0 secs Computing kpt #: 361 total cpu time spent up to now is 26.1 secs Computing kpt #: 362 total cpu time spent up to now is 26.2 secs Computing kpt #: 363 total cpu time spent up to now is 26.2 secs Computing kpt #: 364 total cpu time spent up to now is 26.3 secs Computing kpt #: 365 total cpu time spent up to now is 26.4 secs Computing kpt #: 366 total cpu time spent up to now is 26.5 secs Computing kpt #: 367 total cpu time spent up to now is 26.6 secs Computing kpt #: 368 total cpu time spent up to now is 26.7 secs Computing kpt #: 369 total cpu time spent up to now is 26.7 secs Computing kpt #: 370 total cpu time spent up to now is 26.8 secs Computing kpt #: 371 total cpu time spent up to now is 26.9 secs Computing kpt #: 372 total cpu time spent up to now is 27.0 secs Computing kpt #: 373 total cpu time spent up to now is 27.1 secs Computing kpt #: 374 total cpu time spent up to now is 27.1 secs Computing kpt #: 375 total cpu time spent up to now is 27.2 secs Computing kpt #: 376 total cpu time spent up to now is 27.3 secs Computing kpt #: 377 total cpu time spent up to now is 27.4 secs Computing kpt #: 378 total cpu time spent up to now is 27.5 secs Computing kpt #: 379 total cpu time spent up to now is 27.5 secs Computing kpt #: 380 total cpu time spent up to now is 27.6 secs Computing kpt #: 381 total cpu time spent up to now is 27.7 secs Computing kpt #: 382 total cpu time spent up to now is 27.8 secs Computing kpt #: 383 total cpu time spent up to now is 27.8 secs Computing kpt #: 384 total cpu time spent up to now is 27.9 secs Computing kpt #: 385 total cpu time spent up to now is 28.0 secs Computing kpt #: 386 total cpu time spent up to now is 28.0 secs Computing kpt #: 387 total cpu time spent up to now is 28.1 secs Computing kpt #: 388 total cpu time spent up to now is 28.2 secs Computing kpt #: 389 total cpu time spent up to now is 28.2 secs Computing kpt #: 390 total cpu time spent up to now is 28.3 secs Computing kpt #: 391 total cpu time spent up to now is 28.4 secs Computing kpt #: 392 total cpu time spent up to now is 28.4 secs Computing kpt #: 393 total cpu time spent up to now is 28.5 secs Computing kpt #: 394 total cpu time spent up to now is 28.6 secs Computing kpt #: 395 total cpu time spent up to now is 28.6 secs Computing kpt #: 396 total cpu time spent up to now is 28.7 secs Computing kpt #: 397 total cpu time spent up to now is 28.8 secs Computing kpt #: 398 total cpu time spent up to now is 28.9 secs Computing kpt #: 399 total cpu time spent up to now is 28.9 secs Computing kpt #: 400 total cpu time spent up to now is 29.0 secs Computing kpt #: 401 total cpu time spent up to now is 29.1 secs Computing kpt #: 402 total cpu time spent up to now is 29.1 secs Computing kpt #: 403 total cpu time spent up to now is 29.2 secs Computing kpt #: 404 total cpu time spent up to now is 29.3 secs Computing kpt #: 405 total cpu time spent up to now is 29.4 secs Computing kpt #: 406 total cpu time spent up to now is 29.4 secs Computing kpt #: 407 total cpu time spent up to now is 29.5 secs Computing kpt #: 408 total cpu time spent up to now is 29.6 secs Computing kpt #: 409 total cpu time spent up to now is 29.6 secs Computing kpt #: 410 total cpu time spent up to now is 29.7 secs Computing kpt #: 411 total cpu time spent up to now is 29.8 secs Computing kpt #: 412 total cpu time spent up to now is 29.9 secs Computing kpt #: 413 total cpu time spent up to now is 29.9 secs Computing kpt #: 414 total cpu time spent up to now is 30.0 secs Computing kpt #: 415 total cpu time spent up to now is 30.1 secs Computing kpt #: 416 total cpu time spent up to now is 30.1 secs Computing kpt #: 417 total cpu time spent up to now is 30.2 secs Computing kpt #: 418 total cpu time spent up to now is 30.3 secs Computing kpt #: 419 total cpu time spent up to now is 30.4 secs Computing kpt #: 420 total cpu time spent up to now is 30.4 secs Computing kpt #: 421 total cpu time spent up to now is 30.5 secs Computing kpt #: 422 total cpu time spent up to now is 30.6 secs Computing kpt #: 423 total cpu time spent up to now is 30.6 secs Computing kpt #: 424 total cpu time spent up to now is 30.7 secs Computing kpt #: 425 total cpu time spent up to now is 30.8 secs Computing kpt #: 426 total cpu time spent up to now is 30.9 secs Computing kpt #: 427 total cpu time spent up to now is 30.9 secs Computing kpt #: 428 total cpu time spent up to now is 31.0 secs Computing kpt #: 429 total cpu time spent up to now is 31.1 secs Computing kpt #: 430 total cpu time spent up to now is 31.2 secs Computing kpt #: 431 total cpu time spent up to now is 31.2 secs Computing kpt #: 432 total cpu time spent up to now is 31.3 secs Computing kpt #: 433 total cpu time spent up to now is 31.4 secs Computing kpt #: 434 total cpu time spent up to now is 31.5 secs Computing kpt #: 435 total cpu time spent up to now is 31.6 secs Computing kpt #: 436 total cpu time spent up to now is 31.7 secs Computing kpt #: 437 total cpu time spent up to now is 31.7 secs Computing kpt #: 438 total cpu time spent up to now is 31.8 secs Computing kpt #: 439 total cpu time spent up to now is 31.9 secs Computing kpt #: 440 total cpu time spent up to now is 32.0 secs Computing kpt #: 441 total cpu time spent up to now is 32.1 secs Computing kpt #: 442 total cpu time spent up to now is 32.2 secs Computing kpt #: 443 total cpu time spent up to now is 32.2 secs Computing kpt #: 444 total cpu time spent up to now is 32.3 secs Computing kpt #: 445 total cpu time spent up to now is 32.4 secs Computing kpt #: 446 total cpu time spent up to now is 32.4 secs Computing kpt #: 447 total cpu time spent up to now is 32.5 secs Computing kpt #: 448 total cpu time spent up to now is 32.5 secs Computing kpt #: 449 total cpu time spent up to now is 32.6 secs Computing kpt #: 450 total cpu time spent up to now is 32.7 secs Computing kpt #: 451 total cpu time spent up to now is 32.7 secs Computing kpt #: 452 total cpu time spent up to now is 32.8 secs Computing kpt #: 453 total cpu time spent up to now is 32.9 secs Computing kpt #: 454 total cpu time spent up to now is 32.9 secs Computing kpt #: 455 total cpu time spent up to now is 33.0 secs Computing kpt #: 456 total cpu time spent up to now is 33.0 secs Computing kpt #: 457 total cpu time spent up to now is 33.1 secs Computing kpt #: 458 total cpu time spent up to now is 33.2 secs Computing kpt #: 459 total cpu time spent up to now is 33.2 secs Computing kpt #: 460 total cpu time spent up to now is 33.3 secs Computing kpt #: 461 total cpu time spent up to now is 33.4 secs Computing kpt #: 462 total cpu time spent up to now is 33.4 secs Computing kpt #: 463 total cpu time spent up to now is 33.5 secs Computing kpt #: 464 total cpu time spent up to now is 33.6 secs Computing kpt #: 465 total cpu time spent up to now is 33.6 secs Computing kpt #: 466 total cpu time spent up to now is 33.7 secs Computing kpt #: 467 total cpu time spent up to now is 33.7 secs Computing kpt #: 468 total cpu time spent up to now is 33.8 secs Computing kpt #: 469 total cpu time spent up to now is 33.9 secs Computing kpt #: 470 total cpu time spent up to now is 34.0 secs Computing kpt #: 471 total cpu time spent up to now is 34.0 secs Computing kpt #: 472 total cpu time spent up to now is 34.1 secs Computing kpt #: 473 total cpu time spent up to now is 34.2 secs Computing kpt #: 474 total cpu time spent up to now is 34.2 secs Computing kpt #: 475 total cpu time spent up to now is 34.3 secs Computing kpt #: 476 total cpu time spent up to now is 34.3 secs Computing kpt #: 477 total cpu time spent up to now is 34.4 secs Computing kpt #: 478 total cpu time spent up to now is 34.5 secs Computing kpt #: 479 total cpu time spent up to now is 34.5 secs Computing kpt #: 480 total cpu time spent up to now is 34.6 secs Computing kpt #: 481 total cpu time spent up to now is 34.7 secs Computing kpt #: 482 total cpu time spent up to now is 34.8 secs Computing kpt #: 483 total cpu time spent up to now is 34.9 secs Computing kpt #: 484 total cpu time spent up to now is 35.0 secs Computing kpt #: 485 total cpu time spent up to now is 35.1 secs Computing kpt #: 486 total cpu time spent up to now is 35.3 secs Computing kpt #: 487 total cpu time spent up to now is 35.3 secs Computing kpt #: 488 total cpu time spent up to now is 35.4 secs Computing kpt #: 489 total cpu time spent up to now is 35.5 secs Computing kpt #: 490 total cpu time spent up to now is 35.6 secs Computing kpt #: 491 total cpu time spent up to now is 35.6 secs Computing kpt #: 492 total cpu time spent up to now is 35.7 secs Computing kpt #: 493 total cpu time spent up to now is 35.8 secs Computing kpt #: 494 total cpu time spent up to now is 35.9 secs Computing kpt #: 495 total cpu time spent up to now is 35.9 secs Computing kpt #: 496 total cpu time spent up to now is 36.1 secs Computing kpt #: 497 total cpu time spent up to now is 36.2 secs Computing kpt #: 498 total cpu time spent up to now is 36.3 secs Computing kpt #: 499 total cpu time spent up to now is 36.4 secs Computing kpt #: 500 total cpu time spent up to now is 36.5 secs Computing kpt #: 501 total cpu time spent up to now is 36.5 secs Computing kpt #: 502 total cpu time spent up to now is 36.9 secs Computing kpt #: 503 total cpu time spent up to now is 37.0 secs Computing kpt #: 504 total cpu time spent up to now is 37.2 secs Computing kpt #: 505 total cpu time spent up to now is 37.4 secs Computing kpt #: 506 total cpu time spent up to now is 37.5 secs Computing kpt #: 507 total cpu time spent up to now is 37.8 secs Computing kpt #: 508 total cpu time spent up to now is 38.0 secs Computing kpt #: 509 total cpu time spent up to now is 38.3 secs Computing kpt #: 510 total cpu time spent up to now is 38.4 secs Computing kpt #: 511 total cpu time spent up to now is 38.5 secs Computing kpt #: 512 total cpu time spent up to now is 38.6 secs Computing kpt #: 513 total cpu time spent up to now is 38.7 secs Computing kpt #: 514 total cpu time spent up to now is 38.8 secs Computing kpt #: 515 total cpu time spent up to now is 38.8 secs Computing kpt #: 516 total cpu time spent up to now is 38.9 secs Computing kpt #: 517 total cpu time spent up to now is 39.0 secs Computing kpt #: 518 total cpu time spent up to now is 39.1 secs Computing kpt #: 519 total cpu time spent up to now is 39.2 secs Computing kpt #: 520 total cpu time spent up to now is 39.2 secs Computing kpt #: 521 total cpu time spent up to now is 39.3 secs Computing kpt #: 522 total cpu time spent up to now is 39.4 secs ethr = 6.25E-08, avg # of iterations = 13.3 total cpu time spent up to now is 39.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 687 PWs) bands (ev): -8.1425 -8.1425 -2.3083 -2.3083 -0.0591 -0.0591 10.3746 10.3746 10.3825 10.3825 13.1997 13.1997 13.6458 13.6458 13.6550 13.6550 18.4385 18.4385 18.4461 18.4461 19.4754 19.4754 21.3679 21.3679 k = 0.0069 0.0040-0.0000 ( 687 PWs) bands (ev): -8.1414 -8.1414 -2.3072 -2.3072 -0.0580 -0.0580 10.3697 10.3697 10.3784 10.3784 13.1976 13.1976 13.6417 13.6417 13.6514 13.6514 18.4407 18.4407 18.4486 18.4486 19.4779 19.4779 21.3718 21.3718 k = 0.0139 0.0080-0.0000 ( 687 PWs) bands (ev): -8.1378 -8.1378 -2.3040 -2.3040 -0.0547 -0.0547 10.3520 10.3520 10.3691 10.3691 13.1916 13.1916 13.6274 13.6274 13.6427 13.6427 18.4460 18.4460 18.4574 18.4574 19.4851 19.4851 21.3836 21.3836 k = 0.0208 0.0120-0.0000 ( 687 PWs) bands (ev): -8.1319 -8.1319 -2.2987 -2.2987 -0.0492 -0.0492 10.3208 10.3208 10.3555 10.3555 13.1815 13.1815 13.6016 13.6016 13.6305 13.6305 18.4530 18.4530 18.4738 18.4738 19.4970 19.4970 21.4032 21.4032 k = 0.0278 0.0160-0.0000 ( 685 PWs) bands (ev): -8.1236 -8.1236 -2.2912 -2.2912 -0.0415 -0.0415 10.2768 10.2768 10.3372 10.3372 13.1672 13.1672 13.5651 13.5651 13.6143 13.6143 18.4618 18.4618 18.4971 18.4971 19.5134 19.5134 21.4305 21.4305 k = 0.0347 0.0200-0.0000 ( 681 PWs) bands (ev): -8.1129 -8.1129 -2.2816 -2.2816 -0.0316 -0.0316 10.2207 10.2207 10.3141 10.3141 13.1493 13.1493 13.5183 13.5183 13.5941 13.5941 18.4722 18.4722 18.5272 18.5272 19.5342 19.5342 21.4657 21.4657 k = 0.0417 0.0241-0.0000 ( 681 PWs) bands (ev): -8.0999 -8.0999 -2.2699 -2.2699 -0.0196 -0.0196 10.1528 10.1528 10.2862 10.2862 13.1275 13.1275 13.4615 13.4615 13.5694 13.5694 18.4839 18.4839 18.5636 18.5636 19.5592 19.5592 21.5085 21.5085 k = 0.0486 0.0281-0.0000 ( 685 PWs) bands (ev): -8.0846 -8.0846 -2.2560 -2.2560 -0.0054 -0.0054 10.0737 10.0737 10.2537 10.2537 13.1013 13.1013 13.3952 13.3952 13.5407 13.5407 18.4967 18.4967 18.6061 18.6061 19.5876 19.5876 21.5588 21.5588 k = 0.0556 0.0321-0.0000 ( 685 PWs) bands (ev): -8.0668 -8.0668 -2.2401 -2.2401 0.0110 0.0110 9.9839 9.9839 10.2169 10.2169 13.0721 13.0721 13.3200 13.3200 13.5081 13.5081 18.5101 18.5101 18.6544 18.6544 19.6198 19.6198 21.6166 21.6166 k = 0.0625 0.0361-0.0000 ( 685 PWs) bands (ev): -8.0467 -8.0467 -2.2220 -2.2220 0.0295 0.0295 9.8838 9.8838 10.1758 10.1758 13.0392 13.0392 13.2363 13.2363 13.4717 13.4717 18.5236 18.5236 18.7082 18.7082 19.6552 19.6552 21.6815 21.6815 k = 0.0694 0.0401-0.0000 ( 683 PWs) bands (ev): -8.0242 -8.0242 -2.2018 -2.2018 0.0502 0.0502 9.7743 9.7743 10.1309 10.1309 13.0029 13.0029 13.1445 13.1445 13.4318 13.4318 18.5371 18.5371 18.7672 18.7672 19.6935 19.6935 21.7536 21.7536 k = 0.0764 0.0441-0.0000 ( 683 PWs) bands (ev): -7.9994 -7.9994 -2.1795 -2.1795 0.0730 0.0730 9.6556 9.6556 10.0823 10.0823 12.9631 12.9631 13.0451 13.0451 13.3885 13.3885 18.5498 18.5498 18.8310 18.8310 19.7342 19.7342 21.8321 21.8321 k = 0.0833 0.0481-0.0000 ( 683 PWs) bands (ev): -7.9722 -7.9722 -2.1550 -2.1550 0.0980 0.0980 9.5284 9.5284 10.0302 10.0302 12.9193 12.9193 12.9393 12.9393 13.3421 13.3421 18.5617 18.5617 18.8993 18.8993 19.7772 19.7772 21.9168 21.9168 k = 0.0903 0.0521-0.0000 ( 679 PWs) bands (ev): -7.9427 -7.9427 -2.1284 -2.1284 0.1251 0.1251 9.3934 9.3934 9.9751 9.9751 12.8249 12.8249 12.8742 12.8742 13.2929 13.2929 18.5724 18.5724 18.9717 18.9717 19.8222 19.8222 22.0072 22.0072 k = 0.0972 0.0561-0.0000 ( 679 PWs) bands (ev): -7.9108 -7.9108 -2.0997 -2.0997 0.1543 0.1543 9.2511 9.2511 9.9171 9.9171 12.7057 12.7057 12.8244 12.8244 13.2409 13.2409 18.5817 18.5817 19.0478 19.0478 19.8688 19.8688 22.1029 22.1029 k = 0.1042 0.0601-0.0000 ( 679 PWs) bands (ev): -7.8765 -7.8765 -2.0689 -2.0689 0.1856 0.1856 9.1021 9.1021 9.8564 9.8564 12.5805 12.5805 12.7716 12.7716 13.1863 13.1863 18.5895 18.5895 19.1273 19.1273 19.9168 19.9168 22.2032 22.2032 k = 0.1111 0.0642-0.0000 ( 677 PWs) bands (ev): -7.8400 -7.8400 -2.0359 -2.0359 0.2190 0.2190 8.9470 8.9470 9.7934 9.7934 12.4499 12.4499 12.7157 12.7157 13.1296 13.1296 18.5957 18.5957 19.2097 19.2097 19.9660 19.9660 22.3074 22.3074 k = 0.1181 0.0682-0.0000 ( 677 PWs) bands (ev): -7.8010 -7.8010 -2.0009 -2.0009 0.2543 0.2543 8.7863 8.7863 9.7284 9.7284 12.3144 12.3144 12.6568 12.6568 13.0708 13.0708 18.6002 18.6002 19.2947 19.2947 20.0161 20.0161 22.4149 22.4149 k = 0.1250 0.0722-0.0000 ( 677 PWs) bands (ev): -7.7598 -7.7598 -1.9638 -1.9638 0.2917 0.2917 8.6204 8.6204 9.6615 9.6615 12.1743 12.1743 12.5950 12.5950 13.0102 13.0102 18.6030 18.6030 19.3818 19.3818 20.0671 20.0671 22.5248 22.5248 k = 0.1319 0.0762-0.0000 ( 673 PWs) bands (ev): -7.7161 -7.7161 -1.9245 -1.9245 0.3311 0.3311 8.4499 8.4499 9.5931 9.5931 12.0301 12.0301 12.5303 12.5303 12.9481 12.9481 18.6042 18.6042 19.4711 19.4711 20.1187 20.1187 22.6366 22.6366 k = 0.1389 0.0802-0.0000 ( 669 PWs) bands (ev): -7.6702 -7.6702 -1.8831 -1.8831 0.3725 0.3725 8.2752 8.2752 9.5233 9.5233 11.8820 11.8820 12.4627 12.4627 12.8845 12.8845 18.6036 18.6036 19.5615 19.5615 20.1708 20.1708 22.7488 22.7488 k = 0.1458 0.0842-0.0000 ( 669 PWs) bands (ev): -7.6219 -7.6219 -1.8396 -1.8396 0.4158 0.4158 8.0967 8.0967 9.4523 9.4523 11.7304 11.7304 12.3924 12.3924 12.8197 12.8197 18.6014 18.6014 19.6529 19.6529 20.2233 20.2233 22.8608 22.8608 k = 0.1528 0.0882-0.0000 ( 669 PWs) bands (ev): -7.5713 -7.5713 -1.7941 -1.7941 0.4610 0.4610 7.9148 7.9148 9.3803 9.3803 11.5756 11.5756 12.3193 12.3193 12.7539 12.7539 18.5977 18.5977 19.7449 19.7449 20.2760 20.2760 22.9714 22.9714 k = 0.1597 0.0922-0.0000 ( 669 PWs) bands (ev): -7.5184 -7.5184 -1.7465 -1.7465 0.5080 0.5080 7.7300 7.7300 9.3077 9.3077 11.4178 11.4178 12.2435 12.2435 12.6874 12.6874 18.5925 18.5925 19.8372 19.8372 20.3290 20.3290 23.0796 23.0796 k = 0.1667 0.0962-0.0000 ( 669 PWs) bands (ev): -7.4632 -7.4632 -1.6968 -1.6968 0.5568 0.5568 7.5426 7.5426 9.2345 9.2345 11.2573 11.2573 12.1651 12.1651 12.6201 12.6201 18.5859 18.5859 19.9295 19.9295 20.3822 20.3822 23.1840 23.1840 k = 0.1736 0.1002-0.0000 ( 669 PWs) bands (ev): -7.4057 -7.4057 -1.6450 -1.6450 0.6074 0.6074 7.3525 7.3525 9.1609 9.1609 11.0946 11.0946 12.0842 12.0842 12.5524 12.5524 18.5779 18.5779 20.0214 20.0214 20.4354 20.4354 23.2833 23.2833 k = 0.1806 0.1042-0.0000 ( 669 PWs) bands (ev): -7.3459 -7.3459 -1.5911 -1.5911 0.6597 0.6597 7.1609 7.1609 9.0871 9.0871 10.9295 10.9295 12.0007 12.0007 12.4845 12.4845 18.5687 18.5687 20.1126 20.1126 20.4887 20.4887 23.3762 23.3762 k = 0.1875 0.1083-0.0000 ( 669 PWs) bands (ev): -7.2837 -7.2837 -1.5352 -1.5352 0.7137 0.7137 6.9677 6.9677 9.0134 9.0134 10.7625 10.7625 11.9149 11.9149 12.4163 12.4163 18.5584 18.5584 20.2029 20.2029 20.5419 20.5419 23.4611 23.4611 k = 0.1944 0.1123-0.0000 ( 665 PWs) bands (ev): -7.2193 -7.2193 -1.4772 -1.4772 0.7692 0.7692 6.7732 6.7732 8.9397 8.9397 10.5940 10.5940 11.8268 11.8268 12.3483 12.3483 18.5470 18.5470 20.2919 20.2919 20.5951 20.5951 23.5368 23.5368 k = 0.2014 0.1163-0.0000 ( 667 PWs) bands (ev): -7.1526 -7.1526 -1.4171 -1.4171 0.8262 0.8262 6.5777 6.5777 8.8661 8.8661 10.4237 10.4237 11.7362 11.7362 12.2802 12.2802 18.5345 18.5345 20.3793 20.3793 20.6483 20.6483 23.6016 23.6016 k = 0.2083 0.1203-0.0000 ( 670 PWs) bands (ev): -7.0837 -7.0837 -1.3550 -1.3550 0.8845 0.8845 6.3816 6.3816 8.7931 8.7931 10.2514 10.2514 11.6433 11.6433 12.2124 12.2124 18.5212 18.5212 20.4649 20.4649 20.7013 20.7013 23.6546 23.6546 k = 0.2153 0.1243-0.0000 ( 670 PWs) bands (ev): -7.0125 -7.0125 -1.2908 -1.2908 0.9441 0.9441 6.1850 6.1850 8.7207 8.7207 10.0785 10.0785 11.5483 11.5483 12.1451 12.1451 18.5070 18.5070 20.5486 20.5486 20.7542 20.7542 23.6944 23.6944 k = 0.2222 0.1283-0.0000 ( 670 PWs) bands (ev): -6.9390 -6.9390 -1.2246 -1.2246 1.0049 1.0049 5.9884 5.9884 8.6489 8.6489 9.9046 9.9046 11.4513 11.4513 12.0782 12.0782 18.4921 18.4921 20.6300 20.6300 20.8069 20.8069 23.7205 23.7205 k = 0.2292 0.1323-0.0000 ( 674 PWs) bands (ev): -6.8633 -6.8633 -1.1563 -1.1563 1.0666 1.0666 5.7921 5.7921 8.5778 8.5778 9.7298 9.7298 11.3521 11.3521 12.0117 12.0117 18.4764 18.4764 20.7084 20.7084 20.8593 20.8593 23.7325 23.7325 k = 0.2361 0.1363-0.0000 ( 678 PWs) bands (ev): -6.7854 -6.7854 -1.0860 -1.0860 1.1290 1.1290 5.5961 5.5961 8.5075 8.5075 9.5544 9.5544 11.2511 11.2511 11.9461 11.9461 18.4601 18.4601 20.7848 20.7848 20.9116 20.9116 23.7306 23.7307 k = 0.2431 0.1403-0.0000 ( 682 PWs) bands (ev): -6.7052 -6.7052 -1.0137 -1.0137 1.1920 1.1920 5.4012 5.4012 8.4383 8.4383 9.3783 9.3783 11.1482 11.1482 11.8809 11.8809 18.4432 18.4432 20.8584 20.8584 20.9636 20.9636 23.7155 23.7155 k = 0.2500 0.1443-0.0000 ( 684 PWs) bands (ev): -6.6228 -6.6228 -0.9394 -0.9394 1.2551 1.2551 5.2077 5.2077 8.3701 8.3701 9.2016 9.2016 11.0434 11.0434 11.8170 11.8170 18.4258 18.4258 20.9292 20.9292 21.0153 21.0153 23.6879 23.6879 k = 0.2569 0.1483-0.0000 ( 684 PWs) bands (ev): -6.5383 -6.5383 -0.8631 -0.8631 1.3181 1.3181 5.0161 5.0161 8.3030 8.3030 9.0249 9.0249 10.9371 10.9371 11.7541 11.7541 18.4080 18.4080 20.9970 20.9970 21.0667 21.0667 23.6492 23.6492 k = 0.2639 0.1524-0.0000 ( 682 PWs) bands (ev): -6.4515 -6.4515 -0.7848 -0.7848 1.3805 1.3805 4.8269 4.8269 8.2371 8.2371 8.8480 8.8480 10.8293 10.8293 11.6923 11.6923 18.3898 18.3898 21.0619 21.0619 21.1177 21.1177 23.6007 23.6007 k = 0.2708 0.1564-0.0000 ( 682 PWs) bands (ev): -6.3626 -6.3626 -0.7045 -0.7045 1.4417 1.4417 4.6408 4.6408 8.1725 8.1725 8.6710 8.6710 10.7199 10.7199 11.6316 11.6316 18.3713 18.3713 21.1236 21.1236 21.1683 21.1683 23.5439 23.5439 k = 0.2778 0.1604-0.0000 ( 682 PWs) bands (ev): -6.2716 -6.2716 -0.6222 -0.6222 1.5008 1.5008 4.4586 4.4586 8.1093 8.1093 8.4940 8.4940 10.6092 10.6092 11.5721 11.5721 18.3524 18.3524 21.1822 21.1822 21.2185 21.2185 23.4801 23.4801 k = 0.2847 0.1644-0.0000 ( 678 PWs) bands (ev): -6.1784 -6.1784 -0.5379 -0.5379 1.5571 1.5571 4.2815 4.2815 8.0474 8.0474 8.3172 8.3172 10.4972 10.4972 11.5138 11.5138 18.3334 18.3334 21.2378 21.2378 21.2681 21.2681 23.4109 23.4109 k = 0.2917 0.1684-0.0000 ( 678 PWs) bands (ev): -6.0832 -6.0832 -0.4517 -0.4517 1.6089 1.6089 4.1107 4.1107 7.9871 7.9871 8.1407 8.1407 10.3840 10.3840 11.4570 11.4570 18.3142 18.3142 21.2902 21.2902 21.3171 21.3171 23.3375 23.3375 k = 0.2986 0.1724-0.0000 ( 674 PWs) bands (ev): -5.9857 -5.9857 -0.3636 -0.3636 1.6545 1.6545 3.9481 3.9481 7.9283 7.9283 7.9645 7.9645 10.2699 10.2699 11.4015 11.4015 18.2952 18.2952 21.3396 21.3396 21.3654 21.3654 23.2613 23.2613 k = 0.3056 0.1764-0.0000 ( 674 PWs) bands (ev): -5.8863 -5.8863 -0.2737 -0.2737 1.6918 1.6918 3.7960 3.7960 7.7888 7.7888 7.8710 7.8710 10.1548 10.1548 11.3474 11.3474 18.2758 18.2758 21.3861 21.3861 21.4129 21.4129 23.1828 23.1828 k = 0.3125 0.1804-0.0000 ( 674 PWs) bands (ev): -5.7849 -5.7849 -0.1818 -0.1818 1.7177 1.7177 3.6574 3.6574 7.6136 7.6136 7.8154 7.8154 10.0390 10.0390 11.2949 11.2949 18.2565 18.2565 21.4296 21.4296 21.4595 21.4595 23.1032 23.1032 k = 0.3194 0.1844-0.0000 ( 674 PWs) bands (ev): -5.6816 -5.6816 -0.0881 -0.0881 1.7288 1.7288 3.5358 3.5358 7.4390 7.4390 7.7615 7.7615 9.9225 9.9225 11.2439 11.2439 18.2372 18.2372 21.4703 21.4703 21.5052 21.5052 23.0233 23.0233 k = 0.3264 0.1884-0.0000 ( 674 PWs) bands (ev): -5.5762 -5.5762 0.0075 0.0075 1.7213 1.7213 3.4346 3.4346 7.2653 7.2653 7.7094 7.7094 9.8056 9.8056 11.1947 11.1947 18.2180 18.2180 21.5081 21.5081 21.5501 21.5501 22.9437 22.9437 k = 0.3333 0.1925-0.0000 ( 674 PWs) bands (ev): -5.4690 -5.4690 0.1048 0.1048 1.6920 1.6920 3.3576 3.3576 7.0923 7.0923 7.6589 7.6589 9.6884 9.6884 11.1469 11.1469 18.1990 18.1990 21.5433 21.5433 21.5938 21.5938 22.8650 22.8650 k = 0.3403 0.1965-0.0000 ( 674 PWs) bands (ev): -5.3599 -5.3599 0.2040 0.2040 1.6391 1.6391 3.3063 3.3063 6.9202 6.9202 7.6103 7.6103 9.5711 9.5711 11.1008 11.1008 18.1802 18.1802 21.5758 21.5758 21.6363 21.6363 22.7877 22.7877 k = 0.3472 0.2005-0.0000 ( 674 PWs) bands (ev): -5.2490 -5.2490 0.3048 0.3048 1.5627 1.5627 3.2806 3.2806 6.7490 6.7490 7.5635 7.5635 9.4538 9.4538 11.0565 11.0565 18.1617 18.1617 21.6058 21.6058 21.6777 21.6777 22.7121 22.7121 k = 0.3542 0.2045-0.0000 ( 678 PWs) bands (ev): -5.1364 -5.1364 0.4074 0.4074 1.4651 1.4651 3.2780 3.2780 6.5790 6.5790 7.5186 7.5186 9.3369 9.3369 11.0139 11.0139 18.1435 18.1435 21.6335 21.6335 21.7176 21.7176 22.6386 22.6386 k = 0.3611 0.2085-0.0000 ( 678 PWs) bands (ev): -5.0221 -5.0221 0.5116 0.5116 1.3500 1.3500 3.2950 3.2950 6.4102 6.4102 7.4756 7.4756 9.2205 9.2205 10.9731 10.9731 18.1258 18.1258 21.6589 21.6589 21.7563 21.7563 22.5676 22.5676 k = 0.3681 0.2125-0.0000 ( 678 PWs) bands (ev): -4.9063 -4.9063 0.6174 0.6174 1.2211 1.2211 3.3277 3.3277 6.2427 6.2427 7.4346 7.4346 9.1048 9.1048 10.9341 10.9341 18.1085 18.1085 21.6821 21.6821 21.7936 21.7936 22.4993 22.4993 k = 0.3750 0.2165-0.0000 ( 684 PWs) bands (ev): -4.7890 -4.7890 0.7248 0.7248 1.0821 1.0821 3.3724 3.3724 6.0765 6.0765 7.3953 7.3953 8.9902 8.9902 10.8969 10.8969 18.0916 18.0916 21.7033 21.7033 21.8292 21.8292 22.4337 22.4337 k = 0.3819 0.2205-0.0000 ( 682 PWs) bands (ev): -4.6703 -4.6703 0.8335 0.8335 0.9358 0.9358 3.4261 3.4261 5.9119 5.9119 7.3583 7.3583 8.8769 8.8769 10.8616 10.8616 18.0754 18.0754 21.7230 21.7230 21.8633 21.8633 22.3712 22.3712 k = 0.3889 0.2245-0.0000 ( 684 PWs) bands (ev): -4.5504 -4.5504 0.7845 0.7845 0.9437 0.9437 3.4864 3.4864 5.7489 5.7489 7.3231 7.3231 8.7653 8.7653 10.8282 10.8282 18.0598 18.0598 21.7405 21.7405 21.8958 21.8958 22.3118 22.3118 k = 0.3958 0.2285-0.0000 ( 684 PWs) bands (ev): -4.4296 -4.4296 0.6302 0.6302 1.0550 1.0550 3.5514 3.5514 5.5878 5.5878 7.2901 7.2901 8.6558 8.6558 10.7968 10.7968 18.0448 18.0448 21.7563 21.7563 21.9265 21.9265 22.2558 22.2558 k = 0.4028 0.2325-0.0000 ( 676 PWs) bands (ev): -4.3078 -4.3078 0.4743 0.4743 1.1676 1.1676 3.6195 3.6195 5.4286 5.4286 7.2590 7.2590 8.5487 8.5487 10.7675 10.7675 18.0306 18.0306 21.7714 21.7714 21.9556 21.9556 22.2032 22.2032 k = 0.4097 0.2366-0.0000 ( 676 PWs) bands (ev): -4.1856 -4.1856 0.3180 0.3180 1.2809 1.2809 3.6892 3.6892 5.2716 5.2716 7.2301 7.2301 8.4445 8.4445 10.7399 10.7399 18.0171 18.0171 21.7842 21.7842 21.9827 21.9827 22.1540 22.1540 k = 0.4167 0.2406-0.0000 ( 676 PWs) bands (ev): -4.0632 -4.0632 0.1623 0.1623 1.3950 1.3950 3.7594 3.7594 5.1171 5.1171 7.2032 7.2032 8.3437 8.3437 10.7143 10.7143 18.0043 18.0043 21.7956 21.7956 22.0079 22.0079 22.1083 22.1083 k = 0.4236 0.2446-0.0000 ( 680 PWs) bands (ev): -3.9410 -3.9410 0.0082 0.0082 1.5094 1.5094 3.8292 3.8292 4.9652 4.9652 7.1784 7.1784 8.2468 8.2468 10.6907 10.6907 17.9925 17.9925 21.8057 21.8057 22.0311 22.0311 22.0661 22.0661 k = 0.4306 0.2486-0.0000 ( 680 PWs) bands (ev): -3.8196 -3.8196 -0.1432 -0.1432 1.6238 1.6238 3.8975 3.8975 4.8166 4.8166 7.1557 7.1557 8.1545 8.1545 10.6691 10.6691 17.9815 17.9815 21.8147 21.8147 22.0275 22.0275 22.0524 22.0524 k = 0.4375 0.2526-0.0000 ( 680 PWs) bands (ev): -3.6997 -3.6997 -0.2910 -0.2910 1.7377 1.7377 3.9634 3.9634 4.6717 4.6717 7.1351 7.1351 8.0674 8.0674 10.6495 10.6495 17.9714 17.9714 21.8226 21.8226 21.9926 21.9926 22.0718 22.0718 k = 0.4444 0.2566-0.0000 ( 680 PWs) bands (ev): -3.5822 -3.5822 -0.4339 -0.4339 1.8504 1.8504 4.0260 4.0260 4.5312 4.5312 7.1167 7.1167 7.9863 7.9863 10.6319 10.6319 17.9623 17.9623 21.8294 21.8294 21.9613 21.9613 22.0891 22.0891 k = 0.4514 0.2606-0.0000 ( 680 PWs) bands (ev): -3.4684 -3.4684 -0.5706 -0.5706 1.9609 1.9609 4.0843 4.0843 4.3962 4.3962 7.1004 7.1004 7.9119 7.9119 10.6164 10.6164 17.9542 17.9542 21.8353 21.8353 21.9337 21.9337 22.1044 22.1044 k = 0.4583 0.2646-0.0000 ( 680 PWs) bands (ev): -3.3598 -3.3598 -0.6992 -0.6992 2.0679 2.0679 4.1374 4.1374 4.2679 4.2679 7.0863 7.0863 7.8451 7.8451 10.6029 10.6029 17.9471 17.9471 21.8403 21.8403 21.9097 21.9097 22.1178 22.1178 k = 0.4653 0.2686-0.0000 ( 680 PWs) bands (ev): -3.2587 -3.2587 -0.8175 -0.8175 2.1694 2.1694 4.1483 4.1483 4.1844 4.1844 7.0743 7.0743 7.7867 7.7867 10.5915 10.5915 17.9411 17.9411 21.8444 21.8444 21.8894 21.8894 22.1290 22.1290 k = 0.4722 0.2726-0.0000 ( 680 PWs) bands (ev): -3.1678 -3.1678 -0.9225 -0.9225 2.2628 2.2628 4.0402 4.0402 4.2242 4.2242 7.0645 7.0645 7.7375 7.7375 10.5822 10.5822 17.9361 17.9361 21.8477 21.8477 21.8728 21.8728 22.1383 22.1383 k = 0.4792 0.2766-0.0000 ( 672 PWs) bands (ev): -3.0906 -3.0906 -1.0108 -1.0108 2.3442 2.3442 3.9474 3.9474 4.2562 4.2562 7.0571 7.0571 7.6982 7.6982 10.5749 10.5749 17.9323 17.9323 21.8503 21.8503 21.8600 21.8600 22.1456 22.1456 k = 0.4861 0.2807-0.0000 ( 668 PWs) bands (ev): -3.0310 -3.0310 -1.0783 -1.0783 2.4088 2.4088 3.8747 3.8747 4.2797 4.2797 7.0517 7.0517 7.6698 7.6698 10.5697 10.5697 17.9295 17.9295 21.8509 21.8509 21.8522 21.8522 22.1507 22.1507 k = 0.4931 0.2847-0.0000 ( 668 PWs) bands (ev): -2.9932 -2.9932 -1.1209 -1.1209 2.4507 2.4507 3.8278 3.8278 4.2940 4.2940 7.0484 7.0484 7.6524 7.6524 10.5666 10.5666 17.9278 17.9278 21.8453 21.8453 21.8533 21.8533 22.1538 22.1538 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): -2.9802 -2.9802 -1.1355 -1.1355 2.4654 2.4654 3.8115 3.8115 4.2988 4.2988 7.0473 7.0473 7.6466 7.6466 10.5656 10.5656 17.9273 17.9273 21.8435 21.8435 21.8536 21.8536 22.1548 22.1548 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): -2.9802 -2.9802 -1.1355 -1.1355 2.4654 2.4654 3.8115 3.8115 4.2988 4.2988 7.0473 7.0473 7.6466 7.6466 10.5656 10.5656 17.9273 17.9273 21.8435 21.8435 21.8536 21.8536 22.1548 22.1548 k = 0.4960 0.2955-0.0000 ( 668 PWs) bands (ev): -2.9791 -2.9791 -1.1347 -1.1347 2.4663 2.4663 3.8123 3.8123 4.2995 4.2995 7.0410 7.0410 7.6463 7.6463 10.5604 10.5604 17.9360 17.9360 21.6693 21.6693 22.0277 22.0277 22.1609 22.1609 k = 0.4921 0.3024-0.0000 ( 668 PWs) bands (ev): -2.9759 -2.9759 -1.1323 -1.1323 2.4691 2.4691 3.8148 3.8148 4.3017 4.3017 7.0222 7.0222 7.6454 7.6454 10.5450 10.5450 17.9622 17.9622 21.4905 21.4905 22.1790 22.1790 22.2069 22.2069 k = 0.4881 0.3093-0.0000 ( 672 PWs) bands (ev): -2.9705 -2.9705 -1.1283 -1.1283 2.4737 2.4737 3.8189 3.8189 4.3054 4.3054 6.9908 6.9908 7.6438 7.6438 10.5195 10.5195 18.0057 18.0057 21.3121 21.3121 22.2093 22.2093 22.3851 22.3851 k = 0.4841 0.3162-0.0000 ( 672 PWs) bands (ev): -2.9630 -2.9630 -1.1228 -1.1228 2.4801 2.4801 3.8247 3.8247 4.3105 4.3105 6.9477 6.9477 7.6415 7.6415 10.4840 10.4840 18.0660 18.0660 21.1345 21.1345 22.2513 22.2513 22.5628 22.5628 k = 0.4802 0.3230-0.0000 ( 676 PWs) bands (ev): -2.9534 -2.9534 -1.1157 -1.1157 2.4884 2.4884 3.8320 3.8320 4.3168 4.3168 6.8931 6.8931 7.6385 7.6385 10.4389 10.4389 18.1428 18.1428 20.9578 20.9578 22.3046 22.3046 22.7394 22.7394 k = 0.4762 0.3299-0.0000 ( 680 PWs) bands (ev): -2.9416 -2.9416 -1.1070 -1.1070 2.4985 2.4985 3.8410 3.8410 4.3245 4.3245 6.8278 6.8278 7.6347 7.6347 10.3842 10.3842 18.2355 18.2355 20.7819 20.7819 22.3687 22.3687 22.9150 22.9150 k = 0.4722 0.3368-0.0000 ( 680 PWs) bands (ev): -2.9276 -2.9276 -1.0969 -1.0969 2.5104 2.5104 3.8515 3.8515 4.3332 4.3332 6.7525 6.7525 7.6302 7.6302 10.3209 10.3209 18.3434 18.3434 20.6079 20.6079 22.4432 22.4432 23.0891 23.0891 k = 0.4683 0.3437-0.0000 ( 680 PWs) bands (ev): -2.9115 -2.9115 -1.0852 -1.0852 2.5243 2.5243 3.8637 3.8637 4.3429 4.3429 6.6682 6.6682 7.6250 7.6250 10.2490 10.2490 18.4658 18.4658 20.4354 20.4354 22.5274 22.5274 23.2615 23.2615 k = 0.4643 0.3505-0.0000 ( 680 PWs) bands (ev): -2.8933 -2.8933 -1.0721 -1.0721 2.5399 2.5399 3.8774 3.8774 4.3534 4.3534 6.5757 6.5757 7.6189 7.6189 10.1692 10.1692 18.6019 18.6019 20.2649 20.2649 22.6206 22.6206 23.4319 23.4319 k = 0.4603 0.3574-0.0000 ( 680 PWs) bands (ev): -2.8729 -2.8729 -1.0577 -1.0577 2.5574 2.5574 3.8926 3.8926 4.3643 4.3643 6.4762 6.4762 7.6118 7.6118 10.0818 10.0818 18.7510 18.7510 20.0964 20.0964 22.7218 22.7218 23.6000 23.6000 k = 0.4563 0.3643-0.0000 ( 680 PWs) bands (ev): -2.8504 -2.8504 -1.0419 -1.0419 2.5768 2.5768 3.9093 3.9093 4.3752 4.3752 6.3709 6.3709 7.6037 7.6037 9.9875 9.9875 18.9123 18.9123 19.9303 19.9303 22.8303 22.8303 23.7655 23.7655 k = 0.4524 0.3712-0.0000 ( 680 PWs) bands (ev): -2.8258 -2.8258 -1.0248 -1.0248 2.5979 2.5979 3.9274 3.9274 4.3857 4.3857 6.2609 6.2609 7.5946 7.5946 9.8868 9.8868 19.0850 19.0850 19.7668 19.7668 22.9451 22.9451 23.9281 23.9281 k = 0.4484 0.3780-0.0000 ( 682 PWs) bands (ev): -2.7990 -2.7990 -1.0066 -1.0066 2.6210 2.6210 3.9468 3.9468 4.3951 4.3951 6.1478 6.1478 7.5842 7.5842 9.7803 9.7803 19.2683 19.2683 19.6059 19.6059 23.0651 23.0651 24.0874 24.0874 k = 0.4444 0.3849-0.0000 ( 682 PWs) bands (ev): -2.7701 -2.7701 -0.9872 -0.9872 2.6458 2.6458 3.9676 3.9676 4.4024 4.4024 6.0333 6.0333 7.5726 7.5726 9.6684 9.6684 19.4482 19.4482 19.4614 19.4614 23.1893 23.1893 24.2434 24.2434 k = 0.4405 0.3918-0.0000 ( 682 PWs) bands (ev): -2.7390 -2.7390 -0.9668 -0.9668 2.6725 2.6725 3.9896 3.9896 4.4064 4.4064 5.9193 5.9193 7.5596 7.5596 9.5518 9.5518 19.2938 19.2938 19.6635 19.6635 23.3164 23.3164 24.3955 24.3955 k = 0.4365 0.3986-0.0000 ( 682 PWs) bands (ev): -2.7059 -2.7059 -0.9455 -0.9455 2.7011 2.7011 4.0128 4.0128 4.4056 4.4056 5.8082 5.8082 7.5452 7.5452 9.4309 9.4309 19.1429 19.1429 19.8741 19.8741 23.4453 23.4453 24.5434 24.5434 k = 0.4325 0.4055-0.0000 ( 682 PWs) bands (ev): -2.6706 -2.6706 -0.9235 -0.9235 2.7315 2.7315 4.0371 4.0371 4.3978 4.3978 5.7028 5.7028 7.5292 7.5292 9.3064 9.3064 18.9956 18.9956 20.0923 20.0923 23.5748 23.5748 24.6867 24.6867 k = 0.4286 0.4124-0.0000 ( 686 PWs) bands (ev): -2.6332 -2.6332 -0.9008 -0.9008 2.7637 2.7637 4.0623 4.0623 4.3804 4.3804 5.6063 5.6063 7.5115 7.5115 9.1786 9.1786 18.8521 18.8521 20.3176 20.3176 23.7034 23.7034 24.8249 24.8249 k = 0.4246 0.4193-0.0000 ( 691 PWs) bands (ev): -2.5936 -2.5936 -0.8777 -0.8777 2.7977 2.7977 4.0883 4.0883 4.3506 4.3506 5.5220 5.5220 7.4921 7.4921 9.0482 9.0482 18.7131 18.7131 20.5492 20.5492 23.8304 23.8304 24.9585 24.9585 k = 0.4206 0.4261-0.0000 ( 687 PWs) bands (ev): -2.5519 -2.5519 -0.8542 -0.8542 2.8336 2.8336 4.1151 4.1151 4.3061 4.3061 5.4533 5.4533 7.4708 7.4708 8.9160 8.9160 18.5784 18.5784 20.7866 20.7866 23.9544 23.9544 25.0860 25.0860 k = 0.4167 0.4330-0.0000 ( 687 PWs) bands (ev): -2.5082 -2.5082 -0.8307 -0.8307 2.8713 2.8713 4.1425 4.1425 4.2454 4.2454 5.4022 5.4022 7.4475 7.4475 8.7819 8.7819 18.4482 18.4482 21.0292 21.0292 24.0742 24.0742 25.2070 25.2070 k = 0.4127 0.4399-0.0000 ( 683 PWs) bands (ev): -2.4623 -2.4623 -0.8074 -0.8074 2.9110 2.9110 4.1682 4.1682 4.1705 4.1705 5.3692 5.3692 7.4220 7.4220 8.6468 8.6468 18.3228 18.3228 21.2765 21.2765 24.1895 24.1895 25.3214 25.3214 k = 0.4087 0.4468-0.0000 ( 681 PWs) bands (ev): -2.4143 -2.4143 -0.7845 -0.7845 2.9524 2.9524 4.0772 4.0772 4.1981 4.1981 5.3533 5.3533 7.3943 7.3943 8.5112 8.5112 18.2025 18.2025 21.5277 21.5277 24.2997 24.2997 25.4286 25.4286 k = 0.4048 0.4536-0.0000 ( 687 PWs) bands (ev): -2.3642 -2.3642 -0.7624 -0.7624 2.9957 2.9957 3.9741 3.9741 4.2257 4.2257 5.3521 5.3521 7.3642 7.3642 8.3753 8.3753 18.0872 18.0872 21.7823 21.7823 24.4047 24.4047 25.5284 25.5284 k = 0.4008 0.4605-0.0000 ( 687 PWs) bands (ev): -2.3120 -2.3120 -0.7415 -0.7415 3.0408 3.0408 3.8626 3.8626 4.2531 4.2531 5.3634 5.3634 7.3317 7.3317 8.2403 8.2403 17.9775 17.9775 22.0397 22.0397 24.5047 24.5047 25.6202 25.6202 k = 0.3968 0.4674-0.0000 ( 687 PWs) bands (ev): -2.2578 -2.2578 -0.7222 -0.7222 3.0877 3.0877 3.7453 3.7453 4.2796 4.2796 5.3849 5.3849 7.2967 7.2967 8.1064 8.1064 17.8733 17.8733 22.2995 22.2995 24.5998 24.5998 25.7035 25.7035 k = 0.3929 0.4743-0.0000 ( 683 PWs) bands (ev): -2.2014 -2.2014 -0.7048 -0.7048 3.1365 3.1365 3.6251 3.6251 4.3050 4.3050 5.4149 5.4149 7.2591 7.2591 7.9745 7.9745 17.7748 17.7748 22.5610 22.5610 24.6906 24.6906 25.7782 25.7782 k = 0.3889 0.4811-0.0000 ( 683 PWs) bands (ev): -2.1430 -2.1430 -0.6901 -0.6901 3.1871 3.1871 3.5039 3.5039 4.3288 4.3288 5.4516 5.4516 7.2187 7.2187 7.8450 7.8450 17.6823 17.6823 22.8233 22.8233 24.7775 24.7775 25.8437 25.8437 k = 0.3849 0.4880-0.0000 ( 683 PWs) bands (ev): -2.0825 -2.0825 -0.6785 -0.6785 3.2395 3.2395 3.3838 3.3838 4.3504 4.3504 5.4939 5.4939 7.1755 7.1755 7.7187 7.7187 17.5957 17.5957 23.0859 23.0859 24.8611 24.8611 25.8997 25.8997 k = 0.3810 0.4949-0.0000 ( 683 PWs) bands (ev): -2.0200 -2.0200 -0.6707 -0.6707 3.2665 3.2665 3.2938 3.2938 4.3692 4.3692 5.5412 5.5412 7.1294 7.1294 7.5966 7.5966 17.5153 17.5153 23.3479 23.3479 24.9418 24.9418 25.9460 25.9460 k = 0.3770 0.5017-0.0000 ( 683 PWs) bands (ev): -1.9554 -1.9554 -0.6674 -0.6674 3.1533 3.1533 3.3499 3.3499 4.3845 4.3845 5.5927 5.5927 7.0805 7.0805 7.4794 7.4794 17.4412 17.4412 23.6084 23.6084 25.0202 25.0202 25.9826 25.9826 k = 0.3730 0.5086-0.0000 ( 683 PWs) bands (ev): -1.8888 -1.8888 -0.6693 -0.6693 3.0458 3.0458 3.4078 3.4078 4.3955 4.3955 5.6479 5.6479 7.0286 7.0286 7.3681 7.3681 17.3735 17.3735 23.8663 23.8663 25.0967 25.0967 26.0093 26.0093 k = 0.3690 0.5155-0.0000 ( 683 PWs) bands (ev): -1.8201 -1.8201 -0.6772 -0.6772 2.9451 2.9451 3.4675 3.4675 4.4013 4.4013 5.7065 5.7065 6.9737 6.9737 7.2637 7.2637 17.3121 17.3121 24.1204 24.1204 25.1719 25.1719 26.0262 26.0262 k = 0.3651 0.5224-0.0000 ( 683 PWs) bands (ev): -1.7494 -1.7494 -0.6919 -0.6919 2.8524 2.8524 3.5291 3.5291 4.4009 4.4009 5.7682 5.7682 6.9159 6.9159 7.1673 7.1673 17.2573 17.2573 24.3691 24.3691 25.2459 25.2459 26.0334 26.0334 k = 0.3611 0.5292-0.0000 ( 687 PWs) bands (ev): -1.6767 -1.6767 -0.7142 -0.7142 2.7687 2.7687 3.5924 3.5924 4.3935 4.3935 5.8326 5.8326 6.8551 6.8551 7.0800 7.0800 17.2089 17.2089 24.6105 24.6105 25.3191 25.3191 26.0312 26.0312 k = 0.3571 0.5361-0.0000 ( 687 PWs) bands (ev): -1.6020 -1.6020 -0.7444 -0.7444 2.6951 2.6951 3.6576 3.6576 4.3780 4.3780 5.8997 5.8997 6.7913 6.7913 7.0028 7.0028 17.1672 17.1672 24.8420 24.8420 25.3918 25.3918 26.0199 26.0199 k = 0.3532 0.5430-0.0000 ( 689 PWs) bands (ev): -1.5253 -1.5253 -0.7834 -0.7834 2.6322 2.6322 3.7247 3.7247 4.3537 4.3537 5.9693 5.9693 6.7246 6.7246 6.9366 6.9366 17.1318 17.1318 25.0605 25.0605 25.4642 25.4642 25.9999 25.9999 k = 0.3492 0.5499-0.0000 ( 693 PWs) bands (ev): -1.4466 -1.4466 -0.8313 -0.8313 2.5805 2.5805 3.7935 3.7935 4.3199 4.3199 6.0413 6.0413 6.6551 6.6551 6.8822 6.8822 17.1031 17.1031 25.2620 25.2620 25.5366 25.5366 25.9715 25.9715 k = 0.3452 0.5567-0.0000 ( 695 PWs) bands (ev): -1.3660 -1.3660 -0.8883 -0.8883 2.5405 2.5405 3.8641 3.8641 4.2763 4.2763 6.1154 6.1154 6.5829 6.5829 6.8400 6.8400 17.0809 17.0809 25.4415 25.4415 25.6089 25.6089 25.9359 25.9359 k = 0.3413 0.5636-0.0000 ( 695 PWs) bands (ev): -1.2835 -1.2835 -0.9544 -0.9544 2.5122 2.5122 3.9366 3.9366 4.2228 4.2228 6.1917 6.1917 6.5079 6.5079 6.8102 6.8102 17.0652 17.0652 25.5932 25.5932 25.6815 25.6815 25.8933 25.8933 k = 0.3373 0.5705-0.0000 ( 695 PWs) bands (ev): -1.1990 -1.1990 -1.0293 -1.0293 2.4955 2.4955 4.0108 4.0108 4.1595 4.1595 6.2700 6.2700 6.4304 6.4304 6.7926 6.7926 17.0558 17.0558 25.7107 25.7107 25.7544 25.7544 25.8443 25.8443 k = 0.3333 0.5774-0.0000 ( 699 PWs) bands (ev): -1.1132 -1.1132 -1.1121 -1.1121 2.4900 2.4900 4.0859 4.0859 4.0879 4.0879 6.3499 6.3499 6.3508 6.3508 6.7868 6.7868 17.0526 17.0526 25.7850 25.7850 25.7929 25.7929 25.8276 25.8278 k = 0.3333 0.5774-0.0000 ( 699 PWs) bands (ev): -1.1132 -1.1132 -1.1121 -1.1121 2.4900 2.4900 4.0859 4.0859 4.0879 4.0879 6.3499 6.3499 6.3508 6.3508 6.7868 6.7868 17.0526 17.0526 25.7850 25.7850 25.7929 25.7929 25.8276 25.8277 k = 0.3294 0.5705-0.0000 ( 699 PWs) bands (ev): -1.2038 -1.2038 -1.0244 -1.0244 2.4953 2.4953 4.0058 4.0058 4.1648 4.1648 6.2679 6.2679 6.4325 6.4325 6.7923 6.7923 17.0557 17.0557 25.7286 25.7286 25.7531 25.7531 25.8260 25.8260 k = 0.3254 0.5636-0.0000 ( 695 PWs) bands (ev): -1.3020 -1.3020 -0.9343 -0.9343 2.5108 2.5108 3.9170 3.9170 4.2445 4.2445 6.1833 6.1833 6.5165 6.5165 6.8083 6.8083 17.0649 17.0649 25.6636 25.6636 25.6763 25.6763 25.8215 25.8215 k = 0.3214 0.5567-0.0000 ( 695 PWs) bands (ev): -1.4067 -1.4067 -0.8424 -0.8424 2.5358 2.5358 3.8213 3.8213 4.3259 4.3259 6.0966 6.0966 6.6022 6.6022 6.8336 6.8336 17.0799 17.0799 25.5926 25.5926 25.5987 25.5987 25.7805 25.7805 k = 0.3175 0.5499-0.0000 ( 691 PWs) bands (ev): -1.5170 -1.5170 -0.7487 -0.7487 2.5696 2.5696 3.7198 3.7198 4.4092 4.4092 6.0080 6.0080 6.6897 6.6897 6.8678 6.8678 17.1008 17.1008 25.5130 25.5130 25.5239 25.5239 25.7094 25.7094 k = 0.3135 0.5430-0.0000 ( 687 PWs) bands (ev): -1.6323 -1.6323 -0.6533 -0.6533 2.6117 2.6117 3.6133 3.6133 4.4942 4.4942 5.9176 5.9176 6.7787 6.7787 6.9096 6.9096 17.1274 17.1274 25.4292 25.4292 25.4478 25.4478 25.6148 25.6148 k = 0.3095 0.5361-0.0000 ( 687 PWs) bands (ev): -1.7518 -1.7518 -0.5562 -0.5562 2.6612 2.6612 3.5027 3.5027 4.5810 4.5810 5.8257 5.8257 6.8693 6.8693 6.9585 6.9585 17.1594 17.1594 25.3430 25.3430 25.3694 25.3694 25.5021 25.5021 k = 0.3056 0.5292-0.0000 ( 687 PWs) bands (ev): -1.8748 -1.8748 -0.4574 -0.4574 2.7175 2.7175 3.3886 3.3886 4.6696 4.6696 5.7323 5.7323 6.9615 6.9615 7.0136 7.0136 17.1967 17.1967 25.2546 25.2546 25.2889 25.2889 25.3763 25.3763 k = 0.3016 0.5224-0.0000 ( 683 PWs) bands (ev): -2.0009 -2.0009 -0.3569 -0.3569 2.7803 2.7803 3.2717 3.2717 4.7599 4.7599 5.6378 5.6378 7.0549 7.0549 7.0744 7.0744 17.2391 17.2391 25.1643 25.1643 25.2065 25.2065 25.2411 25.2411 k = 0.2976 0.5155-0.0000 ( 681 PWs) bands (ev): -2.1293 -2.1293 -0.2550 -0.2550 2.8488 2.8488 3.1527 3.1527 4.8520 4.8520 5.5422 5.5422 7.1395 7.1395 7.1507 7.1507 17.2866 17.2866 25.0721 25.0721 25.0985 25.0985 25.1234 25.1234 k = 0.2937 0.5086-0.0000 ( 681 PWs) bands (ev): -2.2597 -2.2597 -0.1516 -0.1516 2.9226 2.9226 3.0320 3.0320 4.9459 4.9459 5.4459 5.4459 7.2101 7.2101 7.2467 7.2467 17.3387 17.3387 24.9514 24.9514 24.9786 24.9786 25.0385 25.0385 k = 0.2897 0.5017-0.0000 ( 681 PWs) bands (ev): -2.3916 -2.3916 -0.0468 -0.0468 2.9101 2.9101 3.0012 3.0012 5.0415 5.0415 5.3489 5.3489 7.2846 7.2846 7.3443 7.3443 17.3953 17.3953 24.8012 24.8012 24.8832 24.8832 24.9532 24.9532 k = 0.2857 0.4949-0.0000 ( 677 PWs) bands (ev): -2.5246 -2.5246 0.0594 0.0594 2.7873 2.7873 3.0845 3.0845 5.1388 5.1388 5.2517 5.2517 7.3629 7.3629 7.4432 7.4432 17.4563 17.4563 24.6486 24.6486 24.7867 24.7867 24.8674 24.8674 k = 0.2817 0.4880-0.0000 ( 677 PWs) bands (ev): -2.6583 -2.6583 0.1667 0.1667 2.6640 2.6640 3.1718 3.1718 5.1543 5.1543 5.2379 5.2379 7.4445 7.4445 7.5432 7.5432 17.5214 17.5214 24.4947 24.4947 24.6888 24.6888 24.7816 24.7816 k = 0.2778 0.4811-0.0000 ( 677 PWs) bands (ev): -2.7925 -2.7925 0.2751 0.2751 2.5405 2.5405 3.2630 3.2630 5.0570 5.0570 5.3387 5.3387 7.5292 7.5292 7.6444 7.6444 17.5903 17.5903 24.3401 24.3401 24.5896 24.5896 24.6960 24.6960 k = 0.2738 0.4743-0.0000 ( 681 PWs) bands (ev): -2.9268 -2.9268 0.3844 0.3844 2.4169 2.4169 3.3578 3.3578 4.9601 4.9601 5.4412 5.4412 7.6168 7.6168 7.7466 7.7466 17.6629 17.6629 24.1854 24.1854 24.4895 24.4895 24.6107 24.6107 k = 0.2698 0.4674-0.0000 ( 677 PWs) bands (ev): -3.0610 -3.0610 0.4945 0.4945 2.2937 2.2937 3.4560 3.4560 4.8639 4.8639 5.5454 5.5454 7.7072 7.7072 7.8499 7.8499 17.7389 17.7389 24.0310 24.0310 24.3886 24.3886 24.5263 24.5263 k = 0.2659 0.4605-0.0000 ( 677 PWs) bands (ev): -3.1950 -3.1950 0.6051 0.6051 2.1708 2.1708 3.5573 3.5573 4.7688 4.7688 5.6513 5.6513 7.7999 7.7999 7.9540 7.9540 17.8179 17.8179 23.8772 23.8772 24.2869 24.2869 24.4429 24.4429 k = 0.2619 0.4536-0.0000 ( 677 PWs) bands (ev): -3.3285 -3.3285 0.7159 0.7159 2.0486 2.0486 3.6615 3.6615 4.6751 4.6751 5.7589 5.7589 7.8949 7.8949 8.0590 8.0590 17.8998 17.8998 23.7243 23.7243 24.1846 24.1846 24.3607 24.3607 k = 0.2579 0.4468-0.0000 ( 673 PWs) bands (ev): -3.4613 -3.4613 0.8269 0.8269 1.9271 1.9271 3.7686 3.7686 4.5832 4.5832 5.8682 5.8682 7.9920 7.9920 8.1647 8.1647 17.9843 17.9843 23.5726 23.5726 24.0818 24.0818 24.2800 24.2800 k = 0.2540 0.4399-0.0000 ( 667 PWs) bands (ev): -3.5933 -3.5933 0.9374 0.9374 1.8064 1.8064 3.8782 3.8782 4.4935 4.4935 5.9791 5.9791 8.0913 8.0913 8.2713 8.2713 18.0712 18.0712 23.4222 23.4222 23.9786 23.9786 24.2011 24.2011 k = 0.2500 0.4330-0.0000 ( 663 PWs) bands (ev): -3.7244 -3.7244 1.0471 1.0471 1.6868 1.6868 3.9901 3.9901 4.4067 4.4067 6.0916 6.0916 8.1922 8.1922 8.3784 8.3784 18.1600 18.1600 23.2732 23.2732 23.8752 23.8752 24.1242 24.1242 k = 0.2460 0.4261-0.0000 ( 665 PWs) bands (ev): -3.8544 -3.8544 1.1554 1.1554 1.5681 1.5681 4.1044 4.1044 4.3232 4.3232 6.2058 6.2058 8.2948 8.2948 8.4862 8.4862 18.2502 18.2502 23.1257 23.1257 23.7717 23.7717 24.0493 24.0493 k = 0.2421 0.4193-0.0000 ( 669 PWs) bands (ev): -3.9833 -3.9833 1.2616 1.2616 1.4506 1.4506 4.2207 4.2207 4.2438 4.2438 6.3216 6.3216 8.3990 8.3990 8.5944 8.5944 18.3418 18.3418 22.9800 22.9800 23.6682 23.6682 23.9770 23.9770 k = 0.2381 0.4124-0.0000 ( 669 PWs) bands (ev): -4.1109 -4.1109 1.3344 1.3344 1.3650 1.3650 4.1698 4.1698 4.3392 4.3392 6.4390 6.4390 8.5046 8.5046 8.7030 8.7030 18.4343 18.4343 22.8360 22.8360 23.5647 23.5647 23.9075 23.9075 k = 0.2341 0.4055-0.0000 ( 669 PWs) bands (ev): -4.2372 -4.2372 1.2195 1.2195 1.4645 1.4645 4.1019 4.1019 4.4595 4.4595 6.5579 6.5579 8.6117 8.6117 8.8120 8.8120 18.5272 18.5272 22.6940 22.6940 23.4614 23.4614 23.8410 23.8410 k = 0.2302 0.3986-0.0000 ( 667 PWs) bands (ev): -4.3620 -4.3620 1.1060 1.1060 1.5588 1.5588 4.0416 4.0416 4.5817 4.5817 6.6784 6.6784 8.7199 8.7199 8.9213 8.9213 18.6203 18.6203 22.5539 22.5539 23.3584 23.3584 23.7779 23.7779 k = 0.2262 0.3918-0.0000 ( 667 PWs) bands (ev): -4.4854 -4.4854 0.9939 0.9939 1.6467 1.6467 3.9903 3.9903 4.7054 4.7054 6.8005 6.8005 8.8294 8.8294 9.0308 9.0308 18.7129 18.7129 22.4158 22.4158 23.2558 23.2558 23.7184 23.7184 k = 0.2222 0.3849-0.0000 ( 667 PWs) bands (ev): -4.6072 -4.6072 0.8833 0.8833 1.7263 1.7263 3.9497 3.9497 4.8308 4.8308 6.9241 6.9241 8.9399 8.9399 9.1403 9.1403 18.8047 18.8047 22.2798 22.2798 23.1536 23.1536 23.6628 23.6628 k = 0.2183 0.3780-0.0000 ( 671 PWs) bands (ev): -4.7275 -4.7275 0.7742 0.7742 1.7960 1.7960 3.9216 3.9216 4.9575 4.9575 7.0492 7.0492 9.0514 9.0514 9.2500 9.2500 18.8950 18.8950 22.1456 22.1456 23.0517 23.0517 23.6114 23.6114 k = 0.2143 0.3712-0.0000 ( 671 PWs) bands (ev): -4.8460 -4.8460 0.6667 0.6667 1.8539 1.8539 3.9078 3.9078 5.0857 5.0857 7.1757 7.1757 9.1638 9.1638 9.3595 9.3595 18.9835 18.9835 22.0138 22.0138 22.9507 22.9507 23.5646 23.5646 k = 0.2103 0.3643-0.0000 ( 671 PWs) bands (ev): -4.9628 -4.9628 0.5608 0.5608 1.8987 1.8987 3.9100 3.9100 5.2151 5.2151 7.3037 7.3037 9.2769 9.2769 9.4689 9.4689 19.0696 19.0696 21.8843 21.8843 22.8503 22.8503 23.5226 23.5226 k = 0.2063 0.3574-0.0000 ( 667 PWs) bands (ev): -5.0778 -5.0778 0.4565 0.4565 1.9291 1.9291 3.9293 3.9293 5.3457 5.3457 7.4331 7.4331 9.3908 9.3908 9.5781 9.5781 19.1528 19.1528 21.7571 21.7571 22.7509 22.7509 23.4858 23.4858 k = 0.2024 0.3505-0.0000 ( 667 PWs) bands (ev): -5.1911 -5.1911 0.3540 0.3540 1.9449 1.9449 3.9658 3.9658 5.4773 5.4773 7.5639 7.5639 9.5053 9.5053 9.6870 9.6870 19.2324 19.2324 21.6320 21.6320 22.6521 22.6521 23.4543 23.4543 k = 0.1984 0.3437-0.0000 ( 667 PWs) bands (ev): -5.3024 -5.3024 0.2531 0.2531 1.9465 1.9465 4.0194 4.0194 5.6098 5.6098 7.6961 7.6961 9.6203 9.6203 9.7955 9.7955 19.3079 19.3079 21.5093 21.5093 22.5542 22.5542 23.4285 23.4285 k = 0.1944 0.3368-0.0000 ( 667 PWs) bands (ev): -5.4120 -5.4120 0.1540 0.1540 1.9349 1.9349 4.0888 4.0888 5.7432 5.7432 7.8296 7.8296 9.7358 9.7358 9.9036 9.9036 19.3788 19.3788 21.3889 21.3889 22.4572 22.4572 23.4084 23.4084 k = 0.1905 0.3299-0.0000 ( 663 PWs) bands (ev): -5.5196 -5.5196 0.0567 0.0567 1.9118 1.9118 4.1727 4.1727 5.8772 5.8772 7.9647 7.9647 9.8519 9.8519 10.0111 10.0111 19.4448 19.4448 21.2708 21.2708 22.3612 22.3612 23.3942 23.3942 k = 0.1865 0.3230-0.0000 ( 663 PWs) bands (ev): -5.6252 -5.6252 -0.0389 -0.0389 1.8788 1.8788 4.2692 4.2692 6.0119 6.0119 8.1007 8.1007 9.9679 9.9679 10.1179 10.1179 19.5050 19.5050 21.1551 21.1551 22.2662 22.2662 23.3859 23.3859 k = 0.1825 0.3162-0.0000 ( 663 PWs) bands (ev): -5.7289 -5.7289 -0.1326 -0.1326 1.8377 1.8377 4.3767 4.3767 6.1471 6.1471 8.2379 8.2379 10.0841 10.0841 10.2240 10.2240 19.5592 19.5592 21.0418 21.0418 22.1723 22.1723 23.3833 23.3833 k = 0.1786 0.3093-0.0000 ( 667 PWs) bands (ev): -5.8306 -5.8306 -0.2246 -0.2246 1.7901 1.7901 4.4935 4.4935 6.2826 6.2826 8.3763 8.3763 10.2001 10.2001 10.3291 10.3291 19.6071 19.6071 20.9307 20.9307 22.0796 22.0796 23.3861 23.3861 k = 0.1746 0.3024-0.0000 ( 667 PWs) bands (ev): -5.9303 -5.9303 -0.3146 -0.3146 1.7374 1.7374 4.6183 4.6183 6.4185 6.4185 8.5158 8.5158 10.3162 10.3162 10.4334 10.4334 19.6487 19.6487 20.8222 20.8222 21.9880 21.9880 23.3940 23.3940 k = 0.1706 0.2955-0.0000 ( 675 PWs) bands (ev): -6.0281 -6.0281 -0.4029 -0.4029 1.6808 1.6808 4.7497 4.7497 6.5544 6.5544 8.6563 8.6563 10.4322 10.4322 10.5368 10.5368 19.6835 19.6835 20.7155 20.7155 21.8975 21.8975 23.4062 23.4062 k = 0.1667 0.2887-0.0000 ( 667 PWs) bands (ev): -6.1237 -6.1237 -0.4892 -0.4892 1.6212 1.6212 4.8871 4.8871 6.6905 6.6905 8.7983 8.7983 10.5481 10.5481 10.6394 10.6394 19.7120 19.7120 20.6118 20.6118 21.8084 21.8084 23.4224 23.4224 k = 0.1627 0.2818-0.0000 ( 667 PWs) bands (ev): -6.2172 -6.2172 -0.5736 -0.5736 1.5595 1.5595 5.0292 5.0292 6.8264 6.8264 8.9408 8.9408 10.6635 10.6635 10.7406 10.7406 19.7339 19.7339 20.5105 20.5105 21.7205 21.7205 23.4412 23.4412 k = 0.1587 0.2749-0.0000 ( 671 PWs) bands (ev): -6.3087 -6.3087 -0.6563 -0.6563 1.4962 1.4962 5.1755 5.1755 6.9621 6.9621 9.0842 9.0842 10.7784 10.7784 10.8405 10.8405 19.7495 19.7495 20.4116 20.4116 21.6339 21.6339 23.4618 23.4618 k = 0.1548 0.2681-0.0000 ( 669 PWs) bands (ev): -6.3980 -6.3980 -0.7369 -0.7369 1.4322 1.4322 5.3256 5.3256 7.0976 7.0976 9.2285 9.2285 10.8927 10.8927 10.9392 10.9392 19.7590 19.7590 20.3152 20.3152 21.5486 21.5486 23.4830 23.4830 k = 0.1508 0.2612-0.0000 ( 669 PWs) bands (ev): -6.4853 -6.4853 -0.8156 -0.8156 1.3676 1.3676 5.4787 5.4787 7.2324 7.2324 9.3735 9.3735 11.0063 11.0063 11.0366 11.0366 19.7629 19.7629 20.2212 20.2212 21.4646 21.4646 23.5033 23.5033 k = 0.1468 0.2543-0.0000 ( 669 PWs) bands (ev): -6.5703 -6.5703 -0.8923 -0.8923 1.3030 1.3030 5.6345 5.6345 7.3665 7.3665 9.5192 9.5192 11.1188 11.1188 11.1329 11.1329 19.7613 19.7613 20.1296 20.1296 21.3820 21.3820 23.5215 23.5215 k = 0.1429 0.2474-0.0000 ( 669 PWs) bands (ev): -6.6533 -6.6533 -0.9671 -0.9671 1.2385 1.2385 5.7926 5.7926 7.4998 7.4998 9.6654 9.6654 11.2249 11.2249 11.2333 11.2333 19.7548 19.7548 20.0405 20.0405 21.3008 21.3008 23.5361 23.5361 k = 0.1389 0.2406-0.0000 ( 671 PWs) bands (ev): -6.7340 -6.7340 -1.0400 -1.0400 1.1744 1.1744 5.9528 5.9528 7.6321 7.6321 9.8122 9.8122 11.3189 11.3189 11.3432 11.3432 19.7437 19.7437 19.9538 19.9538 21.2209 21.2209 23.5457 23.5457 k = 0.1349 0.2337-0.0000 ( 671 PWs) bands (ev): -6.8126 -6.8126 -1.1108 -1.1108 1.1111 1.1111 6.1147 6.1147 7.7633 7.7633 9.9594 9.9594 11.4104 11.4104 11.4529 11.4529 19.7284 19.7284 19.8695 19.8695 21.1424 21.1424 23.5492 23.5492 k = 0.1310 0.2268-0.0000 ( 673 PWs) bands (ev): -6.8891 -6.8891 -1.1797 -1.1797 1.0486 1.0486 6.2779 6.2779 7.8932 7.8932 10.1069 10.1069 11.5001 11.5001 11.5615 11.5615 19.7092 19.7092 19.7875 19.7875 21.0653 21.0653 23.5449 23.5449 k = 0.1270 0.2199-0.0000 ( 673 PWs) bands (ev): -6.9633 -6.9633 -1.2466 -1.2466 0.9872 0.9872 6.4425 6.4425 8.0217 8.0217 10.2546 10.2546 11.5881 11.5881 11.6688 11.6688 19.6864 19.6864 19.7082 19.7082 20.9896 20.9896 23.5325 23.5325 k = 0.1230 0.2131-0.0000 ( 673 PWs) bands (ev): -7.0353 -7.0353 -1.3115 -1.3115 0.9269 0.9269 6.6080 6.6080 8.1485 8.1485 10.4024 10.4024 11.6743 11.6743 11.7746 11.7746 19.6309 19.6309 19.6609 19.6609 20.9153 20.9153 23.5110 23.5110 k = 0.1190 0.2062-0.0000 ( 673 PWs) bands (ev): -7.1051 -7.1051 -1.3743 -1.3743 0.8678 0.8678 6.7742 6.7742 8.2736 8.2736 10.5501 10.5501 11.7588 11.7588 11.8788 11.8788 19.5565 19.5565 19.6322 19.6322 20.8424 20.8424 23.4797 23.4797 k = 0.1151 0.1993-0.0000 ( 671 PWs) bands (ev): -7.1727 -7.1727 -1.4352 -1.4352 0.8102 0.8102 6.9411 6.9411 8.3966 8.3966 10.6976 10.6976 11.8414 11.8414 11.9813 11.9813 19.4844 19.4844 19.6009 19.6009 20.7709 20.7709 23.4386 23.4386 k = 0.1111 0.1925-0.0000 ( 675 PWs) bands (ev): -7.2381 -7.2381 -1.4941 -1.4941 0.7539 0.7539 7.1080 7.1080 8.5175 8.5175 10.8446 10.8446 11.9222 11.9222 12.0818 12.0818 19.4146 19.4146 19.5673 19.5673 20.7007 20.7007 23.3876 23.3876 k = 0.1071 0.1856-0.0000 ( 671 PWs) bands (ev): -7.3012 -7.3012 -1.5509 -1.5509 0.6992 0.6992 7.2750 7.2750 8.6360 8.6360 10.9917 10.9917 12.0011 12.0011 12.1806 12.1806 19.3474 19.3474 19.5315 19.5315 20.6320 20.6320 23.3271 23.3271 k = 0.1032 0.1787-0.0000 ( 671 PWs) bands (ev): -7.3620 -7.3620 -1.6057 -1.6057 0.6461 0.6461 7.4416 7.4416 8.7520 8.7520 11.1376 11.1376 12.0781 12.0781 12.2770 12.2770 19.2825 19.2825 19.4938 19.4938 20.5646 20.5646 23.2575 23.2575 k = 0.0992 0.1718-0.0000 ( 671 PWs) bands (ev): -7.4207 -7.4207 -1.6585 -1.6585 0.5947 0.5947 7.6078 7.6078 8.8653 8.8653 11.2827 11.2827 12.1531 12.1531 12.3713 12.3713 19.2200 19.2200 19.4542 19.4542 20.4986 20.4986 23.1798 23.1798 k = 0.0952 0.1650-0.0000 ( 673 PWs) bands (ev): -7.4770 -7.4770 -1.7092 -1.7092 0.5449 0.5449 7.7732 7.7732 8.9757 8.9757 11.4264 11.4264 12.2261 12.2261 12.4631 12.4631 19.1599 19.1599 19.4129 19.4129 20.4340 20.4340 23.0948 23.0948 k = 0.0913 0.1581-0.0000 ( 673 PWs) bands (ev): -7.5311 -7.5311 -1.7579 -1.7579 0.4969 0.4969 7.9375 7.9375 9.0830 9.0830 11.5690 11.5690 12.2971 12.2971 12.5525 12.5525 19.1022 19.1022 19.3701 19.3701 20.3708 20.3708 23.0036 23.0036 k = 0.0873 0.1512-0.0000 ( 675 PWs) bands (ev): -7.5830 -7.5830 -1.8047 -1.8047 0.4507 0.4507 8.1006 8.1006 9.1871 9.1871 11.7101 11.7101 12.3660 12.3660 12.6391 12.6391 19.0468 19.0468 19.3257 19.3257 20.3089 20.3089 22.9072 22.9072 k = 0.0833 0.1443-0.0000 ( 675 PWs) bands (ev): -7.6325 -7.6325 -1.8493 -1.8493 0.4063 0.4063 8.2618 8.2618 9.2876 9.2876 11.8493 11.8493 12.4328 12.4328 12.7230 12.7230 18.9939 18.9939 19.2799 19.2799 20.2485 20.2485 22.8068 22.8068 k = 0.0794 0.1375-0.0000 ( 675 PWs) bands (ev): -7.6798 -7.6798 -1.8918 -1.8918 0.3639 0.3639 8.4208 8.4208 9.3846 9.3846 11.9864 11.9864 12.4974 12.4974 12.8041 12.8041 18.9433 18.9433 19.2329 19.2329 20.1895 20.1895 22.7036 22.7036 k = 0.0754 0.1306-0.0000 ( 675 PWs) bands (ev): -7.7248 -7.7248 -1.9323 -1.9323 0.3233 0.3233 8.5774 8.5774 9.4778 9.4778 12.1210 12.1210 12.5598 12.5598 12.8821 12.8821 18.8952 18.8952 19.1847 19.1847 20.1319 20.1319 22.5988 22.5988 k = 0.0714 0.1237-0.0000 ( 671 PWs) bands (ev): -7.7675 -7.7675 -1.9708 -1.9708 0.2847 0.2847 8.7311 8.7311 9.5670 9.5670 12.2532 12.2532 12.6201 12.6201 12.9570 12.9570 18.8496 18.8496 19.1356 19.1356 20.0758 20.0758 22.4935 22.4935 k = 0.0675 0.1168-0.0000 ( 671 PWs) bands (ev): -7.8080 -7.8080 -2.0071 -2.0071 0.2481 0.2481 8.8815 8.8815 9.6522 9.6522 12.3820 12.3820 12.6778 12.6778 13.0286 13.0286 18.8062 18.8062 19.0854 19.0854 20.0212 20.0212 22.3887 22.3887 k = 0.0635 0.1100-0.0000 ( 671 PWs) bands (ev): -7.8461 -7.8461 -2.0414 -2.0414 0.2134 0.2134 9.0280 9.0280 9.7331 9.7331 12.5072 12.5072 12.7332 12.7332 13.0969 13.0969 18.7652 18.7652 19.0344 19.0344 19.9683 19.9683 22.2854 22.2854 k = 0.0595 0.1031-0.0000 ( 675 PWs) bands (ev): -7.8819 -7.8819 -2.0738 -2.0738 0.1806 0.1806 9.1702 9.1702 9.8096 9.8096 12.6286 12.6286 12.7859 12.7859 13.1616 13.1616 18.7265 18.7265 18.9827 18.9827 19.9169 19.9169 22.1846 22.1846 k = 0.0556 0.0962-0.0000 ( 675 PWs) bands (ev): -7.9155 -7.9155 -2.1039 -2.1039 0.1500 0.1500 9.3077 9.3077 9.8817 9.8817 12.7455 12.7455 12.8361 12.8361 13.2227 13.2227 18.6903 18.6903 18.9309 18.9309 19.8674 19.8674 22.0873 22.0873 k = 0.0516 0.0894-0.0000 ( 679 PWs) bands (ev): -7.9467 -7.9467 -2.1321 -2.1321 0.1214 0.1214 9.4397 9.4397 9.9492 9.9492 12.8573 12.8573 12.8839 12.8839 13.2798 13.2798 18.6565 18.6565 18.8790 18.8790 19.8198 19.8198 21.9940 21.9940 k = 0.0476 0.0825-0.0000 ( 679 PWs) bands (ev): -7.9757 -7.9757 -2.1581 -2.1581 0.0948 0.0948 9.5657 9.5657 10.0120 10.0120 12.9274 12.9274 12.9654 12.9654 13.3334 13.3334 18.6251 18.6251 18.8276 18.8276 19.7744 19.7744 21.9057 21.9057 k = 0.0437 0.0756-0.0000 ( 683 PWs) bands (ev): -8.0023 -8.0023 -2.1821 -2.1821 0.0704 0.0704 9.6849 9.6849 10.0700 10.0700 12.9692 12.9692 13.0662 13.0662 13.3830 13.3830 18.5959 18.5959 18.7768 18.7768 19.7312 19.7312 21.8226 21.8226 k = 0.0397 0.0687-0.0000 ( 683 PWs) bands (ev): -8.0266 -8.0266 -2.2040 -2.2040 0.0480 0.0480 9.7969 9.7969 10.1231 10.1231 13.0078 13.0078 13.1610 13.1610 13.4287 13.4287 18.5694 18.5694 18.7276 18.7276 19.6905 19.6905 21.7457 21.7457 k = 0.0357 0.0619-0.0000 ( 683 PWs) bands (ev): -8.0487 -8.0487 -2.2238 -2.2238 0.0277 0.0277 9.9011 9.9011 10.1714 10.1714 13.0431 13.0431 13.2489 13.2489 13.4703 13.4703 18.5454 18.5454 18.6803 18.6803 19.6525 19.6525 21.6752 21.6752 k = 0.0317 0.0550-0.0000 ( 683 PWs) bands (ev): -8.0683 -8.0683 -2.2415 -2.2415 0.0096 0.0096 9.9965 9.9965 10.2147 10.2147 13.0751 13.0751 13.3294 13.3294 13.5078 13.5078 18.5238 18.5238 18.6355 18.6355 19.6174 19.6174 21.6116 21.6116 k = 0.0278 0.0481-0.0000 ( 683 PWs) bands (ev): -8.0857 -8.0857 -2.2571 -2.2571 -0.0065 -0.0065 10.0827 10.0827 10.2530 10.2530 13.1037 13.1037 13.4021 13.4021 13.5410 13.5410 18.5047 18.5047 18.5939 18.5939 19.5857 19.5857 21.5550 21.5550 k = 0.0238 0.0412-0.0000 ( 683 PWs) bands (ev): -8.1008 -8.1008 -2.2707 -2.2707 -0.0204 -0.0204 10.1590 10.1590 10.2863 10.2863 13.1287 13.1287 13.4662 13.4662 13.5700 13.5700 18.4881 18.4881 18.5562 18.5562 19.5574 19.5574 21.5056 21.5056 k = 0.0198 0.0344-0.0000 ( 683 PWs) bands (ev): -8.1136 -8.1136 -2.2821 -2.2821 -0.0322 -0.0322 10.2247 10.2247 10.3145 10.3145 13.1500 13.1500 13.5214 13.5214 13.5946 13.5946 18.4740 18.4740 18.5231 18.5231 19.5329 19.5329 21.4637 21.4637 k = 0.0159 0.0275-0.0000 ( 687 PWs) bands (ev): -8.1240 -8.1240 -2.2916 -2.2916 -0.0419 -0.0419 10.2792 10.2792 10.3377 10.3377 13.1676 13.1676 13.5670 13.5670 13.6149 13.6149 18.4623 18.4623 18.4951 18.4951 19.5124 19.5124 21.4293 21.4293 k = 0.0119 0.0206-0.0000 ( 687 PWs) bands (ev): -8.1321 -8.1321 -2.2989 -2.2989 -0.0494 -0.0494 10.3220 10.3220 10.3559 10.3559 13.1819 13.1819 13.6026 13.6026 13.6309 13.6309 18.4531 18.4531 18.4728 18.4728 19.4966 19.4966 21.4024 21.4024 k = 0.0079 0.0137-0.0000 ( 687 PWs) bands (ev): -8.1379 -8.1379 -2.3041 -2.3041 -0.0548 -0.0548 10.3526 10.3526 10.3693 10.3693 13.1917 13.1917 13.6278 13.6278 13.6429 13.6429 18.4459 18.4459 18.4571 18.4571 19.4849 19.4849 21.3833 21.3833 k = 0.0040 0.0069-0.0000 ( 687 PWs) bands (ev): -8.1414 -8.1414 -2.3072 -2.3072 -0.0580 -0.0580 10.3698 10.3698 10.3785 10.3785 13.1977 13.1977 13.6418 13.6418 13.6514 13.6514 18.4407 18.4407 18.4486 18.4486 19.4778 19.4778 21.3718 21.3718 k = 0.0000 0.0000 0.0000 ( 687 PWs) bands (ev): -8.1425 -8.1425 -2.3083 -2.3083 -0.0591 -0.0591 10.3746 10.3746 10.3825 10.3825 13.1997 13.1997 13.6458 13.6458 13.6550 13.6550 18.4385 18.4385 18.4461 18.4461 19.4754 19.4754 21.3679 21.3679 k = 0.0000 0.0000 0.0000 ( 687 PWs) bands (ev): -8.1425 -8.1425 -2.3083 -2.3083 -0.0591 -0.0591 10.3746 10.3746 10.3825 10.3825 13.1997 13.1997 13.6458 13.6458 13.6550 13.6550 18.4385 18.4385 18.4461 18.4461 19.4754 19.4754 21.3679 21.3679 k = 0.0000 0.0000 0.0078 ( 687 PWs) bands (ev): -8.1414 -8.1414 -2.3204 -2.3204 -0.0450 -0.0450 10.3755 10.3755 10.3834 10.3834 13.1923 13.1923 13.6435 13.6435 13.6527 13.6527 18.4409 18.4409 18.4485 18.4485 19.4790 19.4790 21.3678 21.3678 k = 0.0000 0.0000 0.0157 ( 693 PWs) bands (ev): -8.1380 -8.1380 -2.3560 -2.3560 -0.0038 -0.0038 10.3783 10.3783 10.3862 10.3862 13.1692 13.1692 13.6366 13.6366 13.6458 13.6458 18.4481 18.4481 18.4557 18.4557 19.4891 19.4891 21.3676 21.3676 k = 0.0000 0.0000 0.0235 ( 693 PWs) bands (ev): -8.1323 -8.1323 -2.4126 -2.4126 0.0623 0.0623 10.3828 10.3828 10.3908 10.3908 13.1325 13.1325 13.6253 13.6253 13.6345 13.6345 18.4601 18.4601 18.4677 18.4677 19.5065 19.5065 21.3672 21.3672 k = 0.0000 0.0000 0.0314 ( 693 PWs) bands (ev): -8.1243 -8.1243 -2.4870 -2.4870 0.1501 0.1501 10.3893 10.3893 10.3972 10.3972 13.0817 13.0817 13.6095 13.6095 13.6188 13.6188 18.4768 18.4768 18.4844 18.4844 19.5303 19.5303 21.3666 21.3666 k = 0.0000 0.0000 0.0392 ( 693 PWs) bands (ev): -8.1140 -8.1140 -2.5757 -2.5757 0.2561 0.2561 10.3975 10.3975 10.4054 10.4054 13.0172 13.0172 13.5895 13.5895 13.5987 13.5987 18.4980 18.4980 18.5057 18.5057 19.5602 19.5602 21.3659 21.3659 k = 0.0000 0.0000 0.0471 ( 694 PWs) bands (ev): -8.1015 -8.1015 -2.6758 -2.6758 0.3771 0.3771 10.4076 10.4076 10.4155 10.4155 12.9395 12.9395 13.5654 13.5654 13.5745 13.5745 18.5237 18.5237 18.5314 18.5314 19.5954 19.5954 21.3649 21.3649 k = 0.0000 0.0000 0.0549 ( 682 PWs) bands (ev): -8.0867 -8.0867 -2.7843 -2.7843 0.5107 0.5107 10.4195 10.4195 10.4274 10.4274 12.8496 12.8496 13.5376 13.5376 13.5468 13.5468 18.5538 18.5538 18.5615 18.5615 19.6358 19.6358 21.3638 21.3638 k = 0.0000 0.0000 0.0627 ( 682 PWs) bands (ev): -8.0696 -8.0696 -2.8994 -2.8994 0.6543 0.6543 10.4332 10.4332 10.4412 10.4412 12.7477 12.7477 13.5056 13.5056 13.5148 13.5148 18.5881 18.5881 18.5958 18.5958 19.6806 19.6806 21.3625 21.3625 k = 0.0000 0.0000 0.0706 ( 682 PWs) bands (ev): -8.0502 -8.0502 -3.0190 -3.0190 0.8064 0.8064 10.4488 10.4488 10.4567 10.4567 12.6347 12.6347 13.4700 13.4700 13.4791 13.4791 18.6263 18.6263 18.6340 18.6340 19.7292 19.7292 21.3610 21.3610 k = 0.0000 0.0000 0.0784 ( 682 PWs) bands (ev): -8.0286 -8.0286 -3.1421 -3.1421 0.9655 0.9655 10.4661 10.4661 10.4740 10.4740 12.5115 12.5115 13.4309 13.4309 13.4401 13.4401 18.6683 18.6683 18.6760 18.6760 19.7809 19.7809 21.3593 21.3593 k = 0.0000 0.0000 0.0863 ( 682 PWs) bands (ev): -8.0046 -8.0046 -3.2674 -3.2674 1.1307 1.1307 10.4852 10.4852 10.4931 10.4931 12.3786 12.3786 13.3887 13.3887 13.3978 13.3978 18.7139 18.7139 18.7216 18.7216 19.8352 19.8352 21.3573 21.3573 k = 0.0000 0.0000 0.0941 ( 682 PWs) bands (ev): -7.9784 -7.9784 -3.3941 -3.3941 1.3011 1.3011 10.5061 10.5061 10.5140 10.5140 12.2369 12.2369 13.3434 13.3434 13.3525 13.3525 18.7629 18.7629 18.7707 18.7707 19.8914 19.8914 21.3551 21.3551 k = 0.0000 0.0000 0.1019 ( 670 PWs) bands (ev): -7.9499 -7.9499 -3.5217 -3.5217 1.4766 1.4766 10.5289 10.5289 10.5369 10.5369 12.0871 12.0871 13.2955 13.2955 13.3046 13.3046 18.8154 18.8154 18.8231 18.8231 19.9491 19.9491 21.3526 21.3526 k = 0.0000 0.0000 0.1098 ( 670 PWs) bands (ev): -7.9192 -7.9192 -3.6496 -3.6496 1.6556 1.6556 10.5533 10.5533 10.5613 10.5613 11.9296 11.9296 13.2450 13.2450 13.2540 13.2540 18.8707 18.8707 18.8785 18.8785 20.0077 20.0077 21.3499 21.3499 k = 0.0000 0.0000 0.1176 ( 670 PWs) bands (ev): -7.8862 -7.8862 -3.7774 -3.7774 1.8381 1.8381 10.5795 10.5795 10.5874 10.5874 11.7652 11.7652 13.1921 13.1921 13.2011 13.2011 18.9289 18.9289 18.9367 18.9367 20.0667 20.0667 21.3468 21.3468 k = 0.0000 0.0000 0.1255 ( 670 PWs) bands (ev): -7.8509 -7.8509 -3.9048 -3.9048 2.0239 2.0239 10.6074 10.6074 10.6153 10.6153 11.5945 11.5945 13.1372 13.1372 13.1461 13.1461 18.9897 18.9897 18.9975 18.9975 20.1259 20.1259 21.3434 21.3434 k = 0.0000 0.0000 0.1333 ( 670 PWs) bands (ev): -7.8133 -7.8133 -4.0315 -4.0315 2.2127 2.2127 10.6370 10.6370 10.6449 10.6449 11.4180 11.4180 13.0803 13.0803 13.0893 13.0893 19.0531 19.0531 19.0609 19.0609 20.1847 20.1847 21.3396 21.3396 k = 0.0000 0.0000 0.1412 ( 664 PWs) bands (ev): -7.7735 -7.7735 -4.1573 -4.1573 2.4046 2.4046 10.6683 10.6683 10.6763 10.6763 11.2362 11.2362 13.0217 13.0217 13.0307 13.0307 19.1188 19.1188 19.1266 19.1266 20.2429 20.2429 21.3356 21.3356 k = 0.0000 0.0000 0.1490 ( 664 PWs) bands (ev): -7.7315 -7.7315 -4.2821 -4.2821 2.5986 2.5986 10.7013 10.7013 10.7093 10.7093 11.0497 11.0497 12.9617 12.9617 12.9706 12.9706 19.1866 19.1866 19.1945 19.1945 20.3002 20.3002 21.3311 21.3311 k = 0.0000 0.0000 0.1568 ( 664 PWs) bands (ev): -7.6872 -7.6872 -4.4056 -4.4056 2.7949 2.7949 10.7359 10.7359 10.7439 10.7439 10.8588 10.8588 12.9003 12.9003 12.9091 12.9091 19.2565 19.2565 19.2644 19.2644 20.3564 20.3564 21.3261 21.3261 k = 0.0000 0.0000 0.1647 ( 664 PWs) bands (ev): -7.6406 -7.6406 -4.5278 -4.5278 2.9934 2.9934 10.6639 10.6639 10.7722 10.7722 10.7802 10.7802 12.8377 12.8377 12.8466 12.8466 19.3283 19.3283 19.3362 19.3362 20.4112 20.4112 21.3207 21.3207 k = 0.0000 0.0000 0.1725 ( 664 PWs) bands (ev): -7.5918 -7.5918 -4.6485 -4.6485 3.1939 3.1939 10.4656 10.4656 10.8100 10.8100 10.8181 10.8181 12.7742 12.7742 12.7830 12.7830 19.4019 19.4019 19.4098 19.4098 20.4646 20.4646 21.3148 21.3148 k = 0.0000 0.0000 0.1804 ( 670 PWs) bands (ev): -7.5408 -7.5408 -4.7677 -4.7677 3.3964 3.3964 10.2638 10.2638 10.8495 10.8495 10.8576 10.8576 12.7099 12.7099 12.7187 12.7187 19.4770 19.4770 19.4850 19.4850 20.5161 20.5161 21.3077 21.3077 k = 0.0000 0.0000 0.1882 ( 670 PWs) bands (ev): -7.4875 -7.4875 -4.8853 -4.8853 3.6007 3.6007 10.0594 10.0594 10.8905 10.8905 10.8986 10.8986 12.6449 12.6449 12.6537 12.6537 19.5537 19.5537 19.5617 19.5617 20.5662 20.5662 21.3006 21.3006 k = 0.0000 0.0000 0.1960 ( 670 PWs) bands (ev): -7.4319 -7.4319 -5.0011 -5.0011 3.8066 3.8066 9.8524 9.8524 10.9331 10.9331 10.9412 10.9412 12.5794 12.5794 12.5882 12.5882 19.6318 19.6318 19.6398 19.6398 20.6144 20.6144 21.2929 21.2929 k = 0.0000 0.0000 0.2039 ( 670 PWs) bands (ev): -7.3741 -7.3741 -5.1152 -5.1152 4.0142 4.0142 9.6431 9.6431 10.9772 10.9772 10.9853 10.9853 12.5135 12.5135 12.5222 12.5222 19.7112 19.7112 19.7192 19.7192 20.6607 20.6607 21.2846 21.2846 k = 0.0000 0.0000 0.2117 ( 670 PWs) bands (ev): -7.3142 -7.3142 -5.2275 -5.2275 4.2232 4.2232 9.4318 9.4318 11.0228 11.0228 11.0310 11.0310 12.4474 12.4474 12.4561 12.4561 19.7918 19.7918 19.7998 19.7998 20.7051 20.7051 21.2755 21.2755 k = 0.0000 0.0000 0.2196 ( 670 PWs) bands (ev): -7.2519 -7.2519 -5.3380 -5.3380 4.4337 4.4337 9.2187 9.2187 11.0699 11.0699 11.0780 11.0780 12.3812 12.3812 12.3898 12.3898 19.8735 19.8735 19.8815 19.8815 20.7476 20.7476 21.2657 21.2657 k = 0.0000 0.0000 0.2274 ( 670 PWs) bands (ev): -7.1875 -7.1875 -5.4466 -5.4466 4.6455 4.6455 9.0041 9.0041 11.1183 11.1183 11.1265 11.1265 12.3149 12.3149 12.3235 12.3235 19.9562 19.9562 19.9642 19.9642 20.7882 20.7882 21.2551 21.2551 k = 0.0000 0.0000 0.2353 ( 670 PWs) bands (ev): -7.1209 -7.1209 -5.5533 -5.5533 4.8585 4.8585 8.7882 8.7882 11.1682 11.1682 11.1764 11.1764 12.2487 12.2487 12.2573 12.2573 20.0398 20.0398 20.0478 20.0478 20.8268 20.8268 21.2436 21.2436 k = 0.0000 0.0000 0.2431 ( 670 PWs) bands (ev): -7.0520 -7.0520 -5.6580 -5.6580 5.0726 5.0726 8.5712 8.5712 11.2194 11.2194 11.2276 11.2276 12.1827 12.1827 12.1913 12.1913 20.1242 20.1242 20.1323 20.1323 20.8635 20.8635 21.2313 21.2313 k = 0.0000 0.0000 0.2509 ( 670 PWs) bands (ev): -6.9810 -6.9810 -5.7607 -5.7607 5.2878 5.2878 8.3532 8.3532 11.2719 11.2719 11.2801 11.2801 12.1171 12.1171 12.1256 12.1256 20.2094 20.2094 20.2175 20.2175 20.8984 20.8984 21.2180 21.2180 k = 0.0000 0.0000 0.2588 ( 670 PWs) bands (ev): -6.9077 -6.9077 -5.8615 -5.8615 5.5039 5.5039 8.1345 8.1345 11.3257 11.3257 11.3339 11.3339 12.0518 12.0518 12.0603 12.0603 20.2952 20.2952 20.3034 20.3034 20.9314 20.9314 21.2036 21.2036 k = 0.0000 0.0000 0.2666 ( 664 PWs) bands (ev): -6.8323 -6.8323 -5.9602 -5.9602 5.7209 5.7209 7.9152 7.9152 11.3810 11.3810 11.3892 11.3892 11.9870 11.9870 11.9955 11.9955 20.3818 20.3818 20.3900 20.3900 20.9627 20.9627 21.1884 21.1884 k = 0.0000 0.0000 0.2745 ( 670 PWs) bands (ev): -6.7547 -6.7547 -6.0568 -6.0568 5.9386 5.9386 7.6955 7.6955 11.4372 11.4372 11.4454 11.4454 11.9223 11.9223 11.9308 11.9308 20.4688 20.4688 20.4770 20.4770 20.9917 20.9917 21.1705 21.1705 k = 0.0000 0.0000 0.2823 ( 670 PWs) bands (ev): -6.6749 -6.6749 -6.1515 -6.1515 6.1570 6.1570 7.4755 7.4755 11.4945 11.4945 11.5028 11.5028 11.8587 11.8587 11.8671 11.8671 20.5561 20.5561 20.5644 20.5644 21.0195 21.0195 21.0850 21.0850 k = 0.0000 0.0000 0.2901 ( 670 PWs) bands (ev): -6.5930 -6.5930 -6.2440 -6.2440 6.3760 6.3760 7.2554 7.2554 11.5529 11.5529 11.5612 11.5612 11.7958 11.7958 11.8042 11.8042 20.6439 20.6439 20.6521 20.6521 20.9968 20.9968 21.0052 21.0052 k = 0.0000 0.0000 0.2980 ( 670 PWs) bands (ev): -6.5090 -6.5090 -6.3344 -6.3344 6.5955 6.5955 7.0352 7.0352 11.6123 11.6123 11.6206 11.6206 11.7337 11.7337 11.7420 11.7420 20.7319 20.7319 20.7402 20.7402 20.9085 20.9085 20.9168 20.9168 k = 0.0000 0.0000 0.3058 ( 664 PWs) bands (ev): -6.4228 -6.4228 -6.4227 -6.4227 6.8151 6.8151 6.8154 6.8154 11.6726 11.6726 11.6727 11.6727 11.6810 11.6810 11.6811 11.6811 20.8202 20.8202 20.8202 20.8202 20.8285 20.8285 20.8286 20.8286 k = 0.0000 0.0000 0.3058 ( 664 PWs) bands (ev): -6.4228 -6.4228 -6.4227 -6.4227 6.8151 6.8151 6.8154 6.8154 11.6726 11.6726 11.6727 11.6727 11.6810 11.6810 11.6811 11.6811 20.8202 20.8202 20.8202 20.8202 20.8285 20.8285 20.8286 20.8286 k = 0.0069 0.0040 0.3058 ( 668 PWs) bands (ev): -6.4216 -6.4216 -6.4215 -6.4215 6.8156 6.8156 6.8160 6.8160 11.6679 11.6679 11.6680 11.6680 11.6770 11.6770 11.6771 11.6771 20.8215 20.8215 20.8216 20.8216 20.8307 20.8307 20.8308 20.8308 k = 0.0139 0.0080 0.3058 ( 670 PWs) bands (ev): -6.4181 -6.4181 -6.4181 -6.4181 6.8174 6.8174 6.8178 6.8178 11.6513 11.6513 11.6514 11.6514 11.6682 11.6682 11.6682 11.6682 20.8223 20.8223 20.8223 20.8223 20.8405 20.8405 20.8405 20.8405 k = 0.0208 0.0120 0.3058 ( 670 PWs) bands (ev): -6.4123 -6.4123 -6.4122 -6.4122 6.8203 6.8203 6.8207 6.8207 11.6220 11.6220 11.6221 11.6221 11.6555 11.6555 11.6556 11.6556 20.8206 20.8206 20.8207 20.8207 20.8588 20.8588 20.8589 20.8589 k = 0.0278 0.0160 0.3058 ( 674 PWs) bands (ev): -6.4042 -6.4042 -6.4041 -6.4041 6.8244 6.8244 6.8247 6.8247 11.5807 11.5807 11.5807 11.5807 11.6383 11.6383 11.6384 11.6384 20.8161 20.8161 20.8162 20.8162 20.8848 20.8848 20.8849 20.8849 k = 0.0347 0.0200 0.3058 ( 672 PWs) bands (ev): -6.3937 -6.3937 -6.3936 -6.3936 6.8296 6.8296 6.8299 6.8299 11.5280 11.5280 11.5281 11.5281 11.6168 11.6168 11.6169 11.6169 20.8084 20.8084 20.8085 20.8085 20.9184 20.9184 20.9185 20.9185 k = 0.0417 0.0241 0.3058 ( 672 PWs) bands (ev): -6.3809 -6.3809 -6.3808 -6.3808 6.8359 6.8359 6.8362 6.8362 11.4644 11.4644 11.4644 11.4644 11.5909 11.5909 11.5910 11.5910 20.7970 20.7970 20.7971 20.7971 20.9591 20.9591 20.9592 20.9592 k = 0.0486 0.0281 0.3058 ( 672 PWs) bands (ev): -6.3657 -6.3657 -6.3657 -6.3657 6.8432 6.8432 6.8436 6.8436 11.3902 11.3902 11.3903 11.3903 11.5607 11.5607 11.5608 11.5608 20.7818 20.7818 20.7819 20.7819 21.0069 21.0069 21.0069 21.0069 k = 0.0556 0.0321 0.3058 ( 672 PWs) bands (ev): -6.3483 -6.3483 -6.3482 -6.3482 6.8516 6.8516 6.8520 6.8520 11.3061 11.3061 11.3062 11.3062 11.5264 11.5264 11.5264 11.5264 20.7629 20.7629 20.7630 20.7630 21.0613 21.0613 21.0614 21.0614 k = 0.0625 0.0361 0.3058 ( 668 PWs) bands (ev): -6.3285 -6.3285 -6.3284 -6.3284 6.8611 6.8611 6.8614 6.8614 11.2127 11.2127 11.2128 11.2128 11.4883 11.4883 11.4884 11.4884 20.7406 20.7406 20.7408 20.7408 21.1223 21.1223 21.1224 21.1224 k = 0.0694 0.0401 0.3058 ( 668 PWs) bands (ev): -6.3064 -6.3064 -6.3063 -6.3063 6.8714 6.8714 6.8718 6.8718 11.1104 11.1104 11.1105 11.1105 11.4463 11.4463 11.4464 11.4464 20.7151 20.7151 20.7153 20.7153 21.1895 21.1895 21.1896 21.1896 k = 0.0764 0.0441 0.3058 ( 668 PWs) bands (ev): -6.2819 -6.2819 -6.2819 -6.2819 6.8826 6.8826 6.8830 6.8830 10.9999 10.9999 11.0000 11.0000 11.4008 11.4008 11.4009 11.4009 20.6867 20.6867 20.6869 20.6869 21.2626 21.2626 21.2627 21.2627 k = 0.0833 0.0481 0.3058 ( 668 PWs) bands (ev): -6.2552 -6.2552 -6.2551 -6.2551 6.8947 6.8947 6.8950 6.8950 10.8818 10.8818 10.8819 10.8819 11.3521 11.3521 11.3522 11.3522 20.6557 20.6557 20.6559 20.6559 21.3414 21.3414 21.3414 21.3414 k = 0.0903 0.0521 0.3058 ( 668 PWs) bands (ev): -6.2261 -6.2261 -6.2261 -6.2261 6.9074 6.9074 6.9078 6.9078 10.7568 10.7568 10.7569 10.7569 11.3003 11.3003 11.3004 11.3004 20.6222 20.6222 20.6224 20.6224 21.4255 21.4255 21.4255 21.4255 k = 0.0972 0.0561 0.3058 ( 668 PWs) bands (ev): -6.1948 -6.1948 -6.1947 -6.1947 6.9207 6.9207 6.9211 6.9211 10.6255 10.6255 10.6256 10.6256 11.2458 11.2458 11.2458 11.2458 20.5866 20.5866 20.5868 20.5868 21.5145 21.5145 21.5146 21.5146 k = 0.1042 0.0601 0.3058 ( 668 PWs) bands (ev): -6.1611 -6.1611 -6.1610 -6.1610 6.9345 6.9345 6.9349 6.9349 10.4884 10.4884 10.4886 10.4886 11.1887 11.1887 11.1887 11.1887 20.5490 20.5490 20.5492 20.5492 21.6083 21.6083 21.6084 21.6084 k = 0.1111 0.0642 0.3058 ( 668 PWs) bands (ev): -6.1251 -6.1251 -6.1250 -6.1250 6.9486 6.9486 6.9490 6.9490 10.3464 10.3464 10.3465 10.3465 11.1293 11.1293 11.1293 11.1293 20.5097 20.5097 20.5099 20.5099 21.7064 21.7064 21.7065 21.7065 k = 0.1181 0.0682 0.3058 ( 668 PWs) bands (ev): -6.0868 -6.0868 -6.0867 -6.0867 6.9628 6.9628 6.9632 6.9632 10.2000 10.2000 10.2001 10.2001 11.0678 11.0678 11.0679 11.0679 20.4688 20.4688 20.4690 20.4690 21.8086 21.8086 21.8087 21.8087 k = 0.1250 0.0722 0.3058 ( 668 PWs) bands (ev): -6.0462 -6.0462 -6.0461 -6.0461 6.9769 6.9769 6.9772 6.9772 10.0499 10.0499 10.0501 10.0501 11.0045 11.0045 11.0045 11.0045 20.4266 20.4266 20.4268 20.4268 21.9144 21.9144 21.9145 21.9145 k = 0.1319 0.0762 0.3058 ( 666 PWs) bands (ev): -6.0033 -6.0033 -6.0032 -6.0032 6.9905 6.9905 6.9908 6.9908 9.8969 9.8969 9.8971 9.8971 10.9395 10.9395 10.9396 10.9396 20.3834 20.3834 20.3835 20.3835 22.0236 22.0236 22.0236 22.0236 k = 0.1389 0.0802 0.3058 ( 666 PWs) bands (ev): -5.9582 -5.9582 -5.9581 -5.9581 7.0032 7.0032 7.0036 7.0036 9.7417 9.7417 9.7418 9.7418 10.8732 10.8732 10.8733 10.8733 20.3390 20.3390 20.3392 20.3392 22.1357 22.1357 22.1358 22.1358 k = 0.1458 0.0842 0.3058 ( 666 PWs) bands (ev): -5.9107 -5.9107 -5.9106 -5.9106 7.0147 7.0147 7.0150 7.0150 9.5851 9.5851 9.5852 9.5852 10.8057 10.8057 10.8058 10.8058 20.2939 20.2939 20.2941 20.2941 22.2506 22.2506 22.2506 22.2506 k = 0.1528 0.0882 0.3058 ( 670 PWs) bands (ev): -5.8610 -5.8610 -5.8609 -5.8609 7.0242 7.0242 7.0245 7.0245 9.4279 9.4279 9.4280 9.4280 10.7372 10.7372 10.7372 10.7372 20.2480 20.2480 20.2482 20.2482 22.3677 22.3677 22.3678 22.3678 k = 0.1597 0.0922 0.3058 ( 670 PWs) bands (ev): -5.8090 -5.8090 -5.8089 -5.8089 7.0309 7.0309 7.0313 7.0313 9.2716 9.2716 9.2717 9.2717 10.6679 10.6679 10.6679 10.6679 20.2018 20.2018 20.2020 20.2020 22.4869 22.4869 22.4870 22.4870 k = 0.1667 0.0962 0.3058 ( 670 PWs) bands (ev): -5.7547 -5.7547 -5.7546 -5.7546 7.0339 7.0339 7.0343 7.0343 9.1173 9.1173 9.1174 9.1174 10.5980 10.5980 10.5980 10.5980 20.1553 20.1553 20.1555 20.1555 22.6078 22.6078 22.6078 22.6078 k = 0.1736 0.1002 0.3058 ( 666 PWs) bands (ev): -5.6981 -5.6981 -5.6980 -5.6980 7.0318 7.0318 7.0322 7.0322 8.9666 8.9666 8.9668 8.9668 10.5276 10.5276 10.5277 10.5277 20.1089 20.1089 20.1091 20.1091 22.7300 22.7300 22.7301 22.7301 k = 0.1806 0.1042 0.3058 ( 670 PWs) bands (ev): -5.6393 -5.6393 -5.6392 -5.6392 7.0228 7.0228 7.0231 7.0231 8.8212 8.8212 8.8214 8.8214 10.4570 10.4570 10.4571 10.4571 20.0622 20.0622 20.0624 20.0624 22.8532 22.8532 22.8533 22.8533 k = 0.1875 0.1083 0.3058 ( 670 PWs) bands (ev): -5.5783 -5.5783 -5.5782 -5.5782 7.0049 7.0049 7.0052 7.0052 8.6841 8.6841 8.6842 8.6842 10.3863 10.3863 10.3863 10.3863 20.0158 20.0158 20.0160 20.0160 22.9772 22.9772 22.9773 22.9773 k = 0.1944 0.1123 0.3058 ( 670 PWs) bands (ev): -5.5150 -5.5150 -5.5149 -5.5149 6.9755 6.9755 6.9758 6.9758 8.5575 8.5575 8.5576 8.5576 10.3156 10.3156 10.3157 10.3157 19.9697 19.9697 19.9699 19.9699 23.0780 23.0780 23.0783 23.0783 k = 0.2014 0.1163 0.3058 ( 668 PWs) bands (ev): -5.4495 -5.4495 -5.4494 -5.4494 6.9321 6.9321 6.9324 6.9324 8.4444 8.4444 8.4446 8.4446 10.2451 10.2451 10.2451 10.2451 19.9241 19.9241 19.9243 19.9243 23.1264 23.1264 23.1267 23.1267 k = 0.2083 0.1203 0.3058 ( 672 PWs) bands (ev): -5.3818 -5.3818 -5.3817 -5.3817 6.8721 6.8721 6.8723 6.8723 8.3474 8.3474 8.3475 8.3475 10.1746 10.1746 10.1747 10.1747 19.8789 19.8789 19.8791 19.8791 23.1648 23.1648 23.1651 23.1651 k = 0.2153 0.1243 0.3058 ( 676 PWs) bands (ev): -5.3118 -5.3118 -5.3117 -5.3117 6.7939 6.7939 6.7941 6.7941 8.2682 8.2682 8.2683 8.2683 10.1048 10.1048 10.1048 10.1048 19.8345 19.8345 19.8347 19.8347 23.1931 23.1931 23.1934 23.1934 k = 0.2222 0.1283 0.3058 ( 676 PWs) bands (ev): -5.2397 -5.2397 -5.2396 -5.2396 6.6972 6.6972 6.6974 6.6974 8.2073 8.2073 8.2074 8.2074 10.0355 10.0355 10.0356 10.0356 19.7909 19.7909 19.7911 19.7911 23.2109 23.2109 23.2112 23.2112 k = 0.2292 0.1323 0.3058 ( 678 PWs) bands (ev): -5.1654 -5.1654 -5.1653 -5.1653 6.5829 6.5829 6.5831 6.5831 8.1640 8.1640 8.1641 8.1641 9.9670 9.9670 9.9670 9.9670 19.7482 19.7482 19.7484 19.7484 23.2180 23.2180 23.2182 23.2182 k = 0.2361 0.1363 0.3058 ( 674 PWs) bands (ev): -5.0888 -5.0888 -5.0887 -5.0887 6.4532 6.4532 6.4533 6.4533 8.1362 8.1362 8.1364 8.1364 9.8992 9.8992 9.8993 9.8993 19.7067 19.7067 19.7070 19.7070 23.2144 23.2144 23.2146 23.2146 k = 0.2431 0.1403 0.3058 ( 674 PWs) bands (ev): -5.0102 -5.0102 -5.0101 -5.0101 6.3104 6.3104 6.3105 6.3105 8.1216 8.1216 8.1217 8.1217 9.8323 9.8323 9.8323 9.8323 19.6663 19.6663 19.6666 19.6666 23.2001 23.2001 23.2004 23.2004 k = 0.2500 0.1443 0.3058 ( 670 PWs) bands (ev): -4.9294 -4.9294 -4.9293 -4.9293 6.1572 6.1572 6.1573 6.1573 8.1177 8.1177 8.1178 8.1178 9.7663 9.7663 9.7664 9.7664 19.6273 19.6273 19.6275 19.6275 23.1756 23.1756 23.1758 23.1758 k = 0.2569 0.1483 0.3058 ( 678 PWs) bands (ev): -4.8464 -4.8464 -4.8463 -4.8463 5.9954 5.9954 5.9955 5.9955 8.1222 8.1222 8.1224 8.1224 9.7014 9.7014 9.7014 9.7014 19.5894 19.5894 19.5896 19.5896 23.1410 23.1410 23.1412 23.1412 k = 0.2639 0.1524 0.3058 ( 678 PWs) bands (ev): -4.7614 -4.7614 -4.7613 -4.7613 5.8275 5.8275 5.8276 5.8276 8.1336 8.1336 8.1338 8.1338 9.6375 9.6375 9.6376 9.6376 19.5531 19.5531 19.5533 19.5533 23.0971 23.0971 23.0973 23.0973 k = 0.2708 0.1564 0.3058 ( 678 PWs) bands (ev): -4.6743 -4.6743 -4.6742 -4.6742 5.6547 5.6547 5.6548 5.6548 8.1504 8.1504 8.1506 8.1506 9.5749 9.5749 9.5750 9.5750 19.5183 19.5183 19.5186 19.5186 23.0445 23.0445 23.0447 23.0447 k = 0.2778 0.1604 0.3058 ( 678 PWs) bands (ev): -4.5851 -4.5851 -4.5850 -4.5850 5.4782 5.4782 5.4782 5.4782 8.1714 8.1714 8.1716 8.1716 9.5136 9.5136 9.5136 9.5136 19.4852 19.4852 19.4855 19.4855 22.9840 22.9840 22.9841 22.9841 k = 0.2847 0.1644 0.3058 ( 678 PWs) bands (ev): -4.4938 -4.4938 -4.4937 -4.4937 5.2989 5.2989 5.2989 5.2989 8.1957 8.1957 8.1959 8.1959 9.4535 9.4535 9.4536 9.4536 19.4539 19.4539 19.4541 19.4541 22.9162 22.9162 22.9163 22.9163 k = 0.2917 0.1684 0.3058 ( 678 PWs) bands (ev): -4.4005 -4.4005 -4.4004 -4.4004 5.1175 5.1175 5.1176 5.1176 8.2227 8.2227 8.2229 8.2229 9.3949 9.3949 9.3950 9.3950 19.4243 19.4243 19.4245 19.4245 22.8419 22.8419 22.8421 22.8421 k = 0.2986 0.1724 0.3058 ( 682 PWs) bands (ev): -4.3053 -4.3053 -4.3052 -4.3052 4.9347 4.9347 4.9347 4.9347 8.2516 8.2516 8.2519 8.2519 9.3377 9.3377 9.3377 9.3377 19.3966 19.3966 19.3968 19.3968 22.7620 22.7620 22.7621 22.7621 k = 0.3056 0.1764 0.3058 ( 682 PWs) bands (ev): -4.2080 -4.2080 -4.2079 -4.2079 4.7510 4.7510 4.7510 4.7510 8.2822 8.2822 8.2824 8.2824 9.2820 9.2820 9.2821 9.2821 19.3708 19.3708 19.3710 19.3710 22.6771 22.6771 22.6772 22.6772 k = 0.3125 0.1804 0.3058 ( 682 PWs) bands (ev): -4.1089 -4.1089 -4.1088 -4.1088 4.5667 4.5667 4.5668 4.5668 8.3140 8.3140 8.3142 8.3142 9.2279 9.2279 9.2280 9.2280 19.3471 19.3471 19.3473 19.3473 22.5880 22.5880 22.5881 22.5881 k = 0.3194 0.1844 0.3058 ( 682 PWs) bands (ev): -4.0078 -4.0078 -4.0077 -4.0077 4.3823 4.3823 4.3823 4.3823 8.3467 8.3467 8.3469 8.3469 9.1755 9.1755 9.1755 9.1755 19.3254 19.3254 19.3257 19.3257 22.4954 22.4954 22.4955 22.4955 k = 0.3264 0.1884 0.3058 ( 686 PWs) bands (ev): -3.9050 -3.9050 -3.9049 -3.9049 4.1979 4.1979 4.1980 4.1980 8.3797 8.3797 8.3800 8.3800 9.1246 9.1246 9.1247 9.1247 19.3059 19.3059 19.3061 19.3061 22.3998 22.3998 22.3999 22.3999 k = 0.3333 0.1925 0.3058 ( 686 PWs) bands (ev): -3.8003 -3.8003 -3.8002 -3.8002 4.0140 4.0140 4.0140 4.0140 8.4133 8.4133 8.4136 8.4136 9.0755 9.0755 9.0755 9.0755 19.2886 19.2886 19.2888 19.2888 22.3021 22.3021 22.3022 22.3022 k = 0.3403 0.1965 0.3058 ( 686 PWs) bands (ev): -3.6939 -3.6939 -3.6938 -3.6938 3.8307 3.8307 3.8307 3.8307 8.4471 8.4471 8.4473 8.4473 9.0281 9.0281 9.0282 9.0282 19.2735 19.2735 19.2738 19.2738 22.2028 22.2028 22.2029 22.2029 k = 0.3472 0.2005 0.3058 ( 686 PWs) bands (ev): -3.5858 -3.5858 -3.5857 -3.5857 3.6482 3.6482 3.6482 3.6482 8.4807 8.4807 8.4809 8.4809 8.9825 8.9825 8.9826 8.9826 19.2607 19.2607 19.2610 19.2610 22.1023 22.1023 22.1024 22.1024 k = 0.3542 0.2045 0.3058 ( 682 PWs) bands (ev): -3.4761 -3.4761 -3.4760 -3.4760 3.4668 3.4668 3.4668 3.4668 8.5143 8.5143 8.5145 8.5145 8.9388 8.9388 8.9388 8.9388 19.2503 19.2503 19.2505 19.2505 22.0012 22.0012 22.0013 22.0013 k = 0.3611 0.2085 0.3058 ( 682 PWs) bands (ev): -3.3650 -3.3650 -3.3649 -3.3649 3.2866 3.2866 3.2867 3.2867 8.5472 8.5472 8.5475 8.5475 8.8968 8.8968 8.8969 8.8969 19.2421 19.2421 19.2424 19.2424 21.9000 21.9000 21.9001 21.9001 k = 0.3681 0.2125 0.3058 ( 678 PWs) bands (ev): -3.2524 -3.2524 -3.2523 -3.2523 3.1080 3.1080 3.1080 3.1080 8.5797 8.5797 8.5799 8.5799 8.8568 8.8568 8.8569 8.8569 19.2364 19.2364 19.2366 19.2366 21.7991 21.7991 21.7991 21.7991 k = 0.3750 0.2165 0.3058 ( 676 PWs) bands (ev): -3.1385 -3.1385 -3.1384 -3.1384 2.9310 2.9310 2.9310 2.9310 8.6114 8.6114 8.6116 8.6116 8.8187 8.8187 8.8187 8.8187 19.2330 19.2330 19.2333 19.2333 21.6989 21.6989 21.6990 21.6990 k = 0.3819 0.2205 0.3058 ( 676 PWs) bands (ev): -3.0235 -3.0235 -3.0234 -3.0234 2.7559 2.7559 2.7560 2.7560 8.6422 8.6422 8.6424 8.6424 8.7824 8.7824 8.7825 8.7825 19.2319 19.2319 19.2322 19.2322 21.5999 21.5999 21.5999 21.5999 k = 0.3889 0.2245 0.3058 ( 676 PWs) bands (ev): -2.9076 -2.9076 -2.9075 -2.9075 2.5830 2.5830 2.5831 2.5831 8.6720 8.6720 8.6722 8.6722 8.7482 8.7482 8.7482 8.7482 19.2332 19.2332 19.2334 19.2334 21.5024 21.5024 21.5024 21.5024 k = 0.3958 0.2285 0.3058 ( 672 PWs) bands (ev): -2.7908 -2.7908 -2.7907 -2.7907 2.4125 2.4125 2.4126 2.4126 8.7005 8.7005 8.7007 8.7007 8.7161 8.7161 8.7162 8.7162 19.2367 19.2367 19.2370 19.2370 21.4068 21.4068 21.4069 21.4069 k = 0.4028 0.2325 0.3058 ( 672 PWs) bands (ev): -2.6735 -2.6735 -2.6734 -2.6734 2.2447 2.2447 2.2448 2.2448 8.6853 8.6853 8.6854 8.6854 8.7283 8.7283 8.7285 8.7285 19.2425 19.2425 19.2428 19.2428 21.3136 21.3136 21.3137 21.3137 k = 0.4097 0.2366 0.3058 ( 676 PWs) bands (ev): -2.5561 -2.5561 -2.5561 -2.5561 2.0799 2.0799 2.0800 2.0800 8.6570 8.6570 8.6571 8.6571 8.7543 8.7543 8.7545 8.7545 19.2503 19.2503 19.2505 19.2505 21.2231 21.2231 21.2231 21.2231 k = 0.4167 0.2406 0.3058 ( 674 PWs) bands (ev): -2.4389 -2.4389 -2.4388 -2.4388 1.9188 1.9188 1.9188 1.9188 8.6308 8.6308 8.6309 8.6309 8.7791 8.7791 8.7793 8.7793 19.2600 19.2600 19.2603 19.2603 21.1357 21.1357 21.1358 21.1358 k = 0.4236 0.2446 0.3058 ( 674 PWs) bands (ev): -2.3224 -2.3224 -2.3223 -2.3223 1.7617 1.7617 1.7618 1.7618 8.6066 8.6066 8.6066 8.6066 8.8022 8.8022 8.8024 8.8024 19.2715 19.2715 19.2718 19.2718 21.0519 21.0519 21.0519 21.0519 k = 0.4306 0.2486 0.3058 ( 674 PWs) bands (ev): -2.2071 -2.2071 -2.2071 -2.2071 1.6093 1.6093 1.6094 1.6094 8.5844 8.5844 8.5844 8.5844 8.8235 8.8235 8.8237 8.8237 19.2846 19.2846 19.2848 19.2848 20.9721 20.9721 20.9721 20.9721 k = 0.4375 0.2526 0.3058 ( 678 PWs) bands (ev): -2.0939 -2.0939 -2.0938 -2.0938 1.4624 1.4624 1.4624 1.4624 8.5643 8.5643 8.5643 8.5643 8.8430 8.8430 8.8432 8.8432 19.2988 19.2988 19.2991 19.2991 20.8966 20.8966 20.8966 20.8966 k = 0.4444 0.2566 0.3058 ( 678 PWs) bands (ev): -1.9837 -1.9837 -1.9837 -1.9837 1.3220 1.3220 1.3220 1.3220 8.5463 8.5463 8.5463 8.5463 8.8608 8.8608 8.8610 8.8610 19.3140 19.3140 19.3143 19.3143 20.8263 20.8263 20.8263 20.8263 k = 0.4514 0.2606 0.3058 ( 678 PWs) bands (ev): -1.8778 -1.8778 -1.8778 -1.8778 1.1893 1.1893 1.1894 1.1894 8.5303 8.5303 8.5304 8.5304 8.8767 8.8767 8.8769 8.8769 19.3297 19.3297 19.3300 19.3300 20.7617 20.7617 20.7617 20.7617 k = 0.4583 0.2646 0.3058 ( 678 PWs) bands (ev): -1.7778 -1.7778 -1.7777 -1.7777 1.0661 1.0661 1.0662 1.0662 8.5165 8.5165 8.5166 8.5166 8.8906 8.8906 8.8908 8.8908 19.3453 19.3453 19.3456 19.3456 20.7033 20.7033 20.7033 20.7033 k = 0.4653 0.2686 0.3058 ( 680 PWs) bands (ev): -1.6857 -1.6857 -1.6856 -1.6856 0.9543 0.9543 0.9544 0.9544 8.5048 8.5048 8.5049 8.5049 8.9025 8.9025 8.9027 8.9027 19.3603 19.3603 19.3606 19.3606 20.6519 20.6519 20.6520 20.6520 k = 0.4722 0.2726 0.3058 ( 680 PWs) bands (ev): -1.6040 -1.6040 -1.6039 -1.6039 0.8565 0.8565 0.8566 0.8566 8.4952 8.4952 8.4953 8.4953 8.9123 8.9123 8.9124 8.9124 19.3739 19.3739 19.3742 19.3742 20.6084 20.6084 20.6084 20.6084 k = 0.4792 0.2766 0.3058 ( 684 PWs) bands (ev): -1.5356 -1.5356 -1.5355 -1.5355 0.7755 0.7755 0.7755 0.7755 8.4877 8.4877 8.4878 8.4878 8.9199 8.9199 8.9201 8.9201 19.3854 19.3854 19.3857 19.3857 20.5735 20.5735 20.5735 20.5735 k = 0.4861 0.2807 0.3058 ( 680 PWs) bands (ev): -1.4835 -1.4835 -1.4834 -1.4834 0.7145 0.7145 0.7146 0.7146 8.4824 8.4824 8.4825 8.4825 8.9254 8.9254 8.9256 8.9256 19.3943 19.3943 19.3946 19.3946 20.5480 20.5480 20.5480 20.5480 k = 0.4931 0.2847 0.3058 ( 676 PWs) bands (ev): -1.4508 -1.4508 -1.4507 -1.4507 0.6765 0.6765 0.6765 0.6765 8.4792 8.4792 8.4793 8.4793 8.9287 8.9287 8.9289 8.9289 19.3999 19.3999 19.4002 19.4002 20.5323 20.5323 20.5324 20.5324 k = 0.5000 0.2887 0.3058 ( 676 PWs) bands (ev): -1.4396 -1.4396 -1.4395 -1.4395 0.6635 0.6635 0.6636 0.6636 8.4782 8.4782 8.4782 8.4782 8.9298 8.9298 8.9300 8.9300 19.4018 19.4018 19.4021 19.4021 20.5271 20.5271 20.5271 20.5271 k = 0.5000 0.2887 0.3058 ( 676 PWs) bands (ev): -1.4396 -1.4396 -1.4395 -1.4395 0.6635 0.6635 0.6636 0.6636 8.4782 8.4782 8.4782 8.4782 8.9298 8.9298 8.9300 8.9300 19.4018 19.4018 19.4021 19.4021 20.5271 20.5271 20.5271 20.5271 k = 0.4960 0.2955 0.3058 ( 680 PWs) bands (ev): -1.4386 -1.4386 -1.4385 -1.4385 0.6643 0.6643 0.6644 0.6644 8.4681 8.4681 8.4684 8.4684 8.9338 8.9338 8.9342 8.9342 19.4096 19.4096 19.4099 19.4099 20.5279 20.5279 20.5279 20.5279 k = 0.4921 0.3024 0.3058 ( 680 PWs) bands (ev): -1.4356 -1.4356 -1.4355 -1.4355 0.6668 0.6668 0.6669 0.6669 8.4393 8.4393 8.4397 8.4397 8.9451 8.9451 8.9457 8.9457 19.4330 19.4330 19.4334 19.4334 20.5303 20.5303 20.5303 20.5303 k = 0.4881 0.3093 0.3058 ( 680 PWs) bands (ev): -1.4305 -1.4305 -1.4304 -1.4304 0.6709 0.6709 0.6710 0.6710 8.3939 8.3939 8.3946 8.3946 8.9614 8.9614 8.9624 8.9624 19.4719 19.4719 19.4723 19.4723 20.5343 20.5343 20.5344 20.5344 k = 0.4841 0.3162 0.3058 ( 684 PWs) bands (ev): -1.4234 -1.4234 -1.4233 -1.4233 0.6766 0.6766 0.6767 0.6767 8.3347 8.3347 8.3354 8.3354 8.9807 8.9807 8.9818 8.9818 19.5258 19.5258 19.5263 19.5263 20.5399 20.5399 20.5400 20.5400 k = 0.4802 0.3230 0.3058 ( 680 PWs) bands (ev): -1.4142 -1.4142 -1.4142 -1.4142 0.6840 0.6840 0.6841 0.6841 8.2637 8.2637 8.2644 8.2644 9.0012 9.0012 9.0024 9.0024 19.5945 19.5945 19.5950 19.5950 20.5471 20.5471 20.5472 20.5472 k = 0.4762 0.3299 0.3058 ( 684 PWs) bands (ev): -1.4031 -1.4031 -1.4030 -1.4030 0.6929 0.6929 0.6931 0.6931 8.1822 8.1822 8.1829 8.1829 9.0217 9.0217 9.0230 9.0230 19.6772 19.6772 19.6778 19.6778 20.5559 20.5559 20.5561 20.5561 k = 0.4722 0.3368 0.3058 ( 684 PWs) bands (ev): -1.3899 -1.3899 -1.3898 -1.3898 0.7035 0.7035 0.7036 0.7036 8.0915 8.0915 8.0922 8.0922 9.0419 9.0419 9.0432 9.0432 19.7735 19.7735 19.7741 19.7741 20.5663 20.5663 20.5665 20.5665 k = 0.4683 0.3437 0.3058 ( 684 PWs) bands (ev): -1.3746 -1.3746 -1.3746 -1.3746 0.7155 0.7155 0.7157 0.7157 7.9925 7.9925 7.9932 7.9932 9.0613 9.0613 9.0627 9.0627 19.8827 19.8827 19.8834 19.8834 20.5783 20.5783 20.5785 20.5785 k = 0.4643 0.3505 0.3058 ( 684 PWs) bands (ev): -1.3574 -1.3574 -1.3573 -1.3573 0.7291 0.7291 0.7293 0.7293 7.8859 7.8859 7.8865 7.8865 9.0800 9.0800 9.0815 9.0815 20.0039 20.0039 20.0047 20.0047 20.5919 20.5919 20.5921 20.5921 k = 0.4603 0.3574 0.3058 ( 684 PWs) bands (ev): -1.3382 -1.3382 -1.3381 -1.3381 0.7442 0.7442 0.7444 0.7444 7.7722 7.7722 7.7728 7.7728 9.0979 9.0979 9.0994 9.0994 20.1365 20.1365 20.1374 20.1374 20.6070 20.6070 20.6072 20.6072 k = 0.4563 0.3643 0.3058 ( 680 PWs) bands (ev): -1.3169 -1.3169 -1.3169 -1.3169 0.7606 0.7606 0.7609 0.7609 7.6523 7.6523 7.6528 7.6528 9.1152 9.1152 9.1167 9.1167 20.2797 20.2797 20.2806 20.2806 20.6237 20.6237 20.6240 20.6240 k = 0.4524 0.3712 0.3058 ( 680 PWs) bands (ev): -1.2937 -1.2937 -1.2936 -1.2936 0.7785 0.7785 0.7787 0.7787 7.5266 7.5266 7.5270 7.5270 9.1318 9.1318 9.1333 9.1333 20.4324 20.4324 20.4334 20.4334 20.6420 20.6420 20.6422 20.6422 k = 0.4484 0.3780 0.3058 ( 680 PWs) bands (ev): -1.2685 -1.2685 -1.2684 -1.2684 0.7976 0.7976 0.7979 0.7979 7.3957 7.3957 7.3961 7.3961 9.1478 9.1478 9.1493 9.1493 20.5932 20.5932 20.5944 20.5944 20.6623 20.6623 20.6624 20.6624 k = 0.4444 0.3849 0.3058 ( 684 PWs) bands (ev): -1.2414 -1.2414 -1.2413 -1.2413 0.8179 0.8179 0.8182 0.8182 7.2601 7.2601 7.2605 7.2605 9.1634 9.1634 9.1649 9.1649 20.6812 20.6812 20.6817 20.6817 20.7647 20.7647 20.7656 20.7656 k = 0.4405 0.3918 0.3058 ( 684 PWs) bands (ev): -1.2123 -1.2123 -1.2122 -1.2122 0.8394 0.8394 0.8397 0.8397 7.1207 7.1207 7.1210 7.1210 9.1786 9.1786 9.1801 9.1801 20.7042 20.7042 20.7046 20.7046 20.9405 20.9405 20.9416 20.9416 k = 0.4365 0.3986 0.3058 ( 684 PWs) bands (ev): -1.1812 -1.1812 -1.1811 -1.1811 0.8620 0.8620 0.8623 0.8623 6.9779 6.9779 6.9782 6.9782 9.1934 9.1934 9.1949 9.1949 20.7281 20.7281 20.7285 20.7285 21.1227 21.1227 21.1239 21.1239 k = 0.4325 0.4055 0.3058 ( 684 PWs) bands (ev): -1.1483 -1.1483 -1.1482 -1.1482 0.8854 0.8854 0.8858 0.8858 6.8324 6.8324 6.8325 6.8325 9.2080 9.2080 9.2095 9.2095 20.7532 20.7532 20.7537 20.7537 21.3099 21.3099 21.3112 21.3112 k = 0.4286 0.4124 0.3058 ( 684 PWs) bands (ev): -1.1134 -1.1134 -1.1133 -1.1133 0.9097 0.9097 0.9101 0.9101 6.6846 6.6846 6.6847 6.6847 9.2224 9.2224 9.2239 9.2239 20.7796 20.7796 20.7801 20.7801 21.5008 21.5008 21.5022 21.5022 k = 0.4246 0.4193 0.3058 ( 684 PWs) bands (ev): -1.0767 -1.0767 -1.0766 -1.0766 0.9347 0.9347 0.9351 0.9351 6.5351 6.5351 6.5352 6.5352 9.2365 9.2365 9.2381 9.2381 20.8072 20.8072 20.8077 20.8077 21.6941 21.6941 21.6956 21.6956 k = 0.4206 0.4261 0.3058 ( 686 PWs) bands (ev): -1.0381 -1.0381 -1.0380 -1.0380 0.9602 0.9602 0.9606 0.9606 6.3843 6.3843 6.3844 6.3844 9.2505 9.2505 9.2520 9.2520 20.8360 20.8360 20.8364 20.8364 21.8885 21.8885 21.8900 21.8900 k = 0.4167 0.4330 0.3058 ( 686 PWs) bands (ev): -0.9978 -0.9978 -0.9976 -0.9976 0.9860 0.9860 0.9865 0.9865 6.2332 6.2332 6.2333 6.2333 9.2643 9.2643 9.2658 9.2658 20.8658 20.8658 20.8663 20.8663 22.0820 22.0820 22.0837 22.0837 k = 0.4127 0.4399 0.3058 ( 682 PWs) bands (ev): -0.9556 -0.9556 -0.9555 -0.9555 1.0119 1.0119 1.0125 1.0125 6.0822 6.0822 6.0823 6.0823 9.2779 9.2779 9.2794 9.2794 20.8967 20.8967 20.8971 20.8971 22.2726 22.2726 22.2744 22.2744 k = 0.4087 0.4468 0.3058 ( 678 PWs) bands (ev): -0.9118 -0.9118 -0.9116 -0.9116 1.0378 1.0378 1.0383 1.0383 5.9318 5.9318 5.9320 5.9320 9.2915 9.2915 9.2931 9.2931 20.9285 20.9285 20.9290 20.9290 22.4574 22.4574 22.4593 22.4593 k = 0.4048 0.4536 0.3058 ( 678 PWs) bands (ev): -0.8662 -0.8662 -0.8661 -0.8661 1.0632 1.0632 1.0638 1.0638 5.7827 5.7827 5.7830 5.7830 9.3046 9.3046 9.3062 9.3062 20.9610 20.9610 20.9615 20.9615 22.6329 22.6329 22.6350 22.6350 k = 0.4008 0.4605 0.3058 ( 678 PWs) bands (ev): -0.8191 -0.8191 -0.8190 -0.8190 1.0880 1.0880 1.0887 1.0887 5.6355 5.6355 5.6358 5.6358 9.3175 9.3175 9.3190 9.3190 20.9942 20.9942 20.9947 20.9947 22.7946 22.7946 22.7969 22.7969 k = 0.3968 0.4674 0.3058 ( 678 PWs) bands (ev): -0.7705 -0.7705 -0.7703 -0.7703 1.1117 1.1117 1.1125 1.1125 5.4909 5.4909 5.4912 5.4912 9.3300 9.3300 9.3316 9.3316 21.0280 21.0280 21.0284 21.0284 22.9372 22.9372 22.9397 22.9397 k = 0.3929 0.4743 0.3058 ( 678 PWs) bands (ev): -0.7204 -0.7204 -0.7202 -0.7202 1.1342 1.1342 1.1350 1.1350 5.3494 5.3494 5.3498 5.3498 9.3422 9.3422 9.3438 9.3438 21.0620 21.0620 21.0625 21.0625 23.0547 23.0547 23.0575 23.0575 k = 0.3889 0.4811 0.3058 ( 680 PWs) bands (ev): -0.6690 -0.6690 -0.6688 -0.6688 1.1547 1.1547 1.1556 1.1556 5.2119 5.2119 5.2124 5.2124 9.3540 9.3540 9.3556 9.3556 21.0963 21.0963 21.0967 21.0967 23.1426 23.1426 23.1457 23.1457 k = 0.3849 0.4880 0.3058 ( 680 PWs) bands (ev): -0.6165 -0.6165 -0.6163 -0.6163 1.1731 1.1731 1.1740 1.1740 5.0793 5.0793 5.0798 5.0798 9.3655 9.3655 9.3670 9.3670 21.1305 21.1305 21.1309 21.1309 23.1993 23.1993 23.2027 23.2027 k = 0.3810 0.4949 0.3058 ( 682 PWs) bands (ev): -0.5630 -0.5630 -0.5628 -0.5628 1.1887 1.1887 1.1898 1.1898 4.9521 4.9521 4.9527 4.9527 9.3763 9.3763 9.3779 9.3779 21.1645 21.1645 21.1649 21.1649 23.2269 23.2269 23.2306 23.2306 k = 0.3770 0.5017 0.3058 ( 682 PWs) bands (ev): -0.5088 -0.5088 -0.5085 -0.5085 1.2012 1.2012 1.2023 1.2023 4.8314 4.8314 4.8321 4.8321 9.3867 9.3867 9.3883 9.3883 21.1979 21.1979 21.1982 21.1982 23.2309 23.2309 23.2349 23.2349 k = 0.3730 0.5086 0.3058 ( 682 PWs) bands (ev): -0.4541 -0.4541 -0.4537 -0.4537 1.2101 1.2101 1.2113 1.2113 4.7181 4.7181 4.7188 4.7188 9.3966 9.3966 9.3982 9.3982 21.2303 21.2303 21.2307 21.2307 23.2177 23.2177 23.2219 23.2219 k = 0.3690 0.5155 0.3058 ( 682 PWs) bands (ev): -0.3992 -0.3992 -0.3989 -0.3989 1.2150 1.2150 1.2162 1.2162 4.6129 4.6129 4.6137 4.6137 9.4057 9.4057 9.4073 9.4073 21.2616 21.2616 21.2619 21.2619 23.1931 23.1931 23.1975 23.1975 k = 0.3651 0.5224 0.3058 ( 674 PWs) bands (ev): -0.3447 -0.3447 -0.3443 -0.3443 1.2155 1.2155 1.2169 1.2169 4.5169 4.5169 4.5177 4.5177 9.4142 9.4142 9.4158 9.4158 21.2912 21.2912 21.2915 21.2915 23.1620 23.1620 23.1665 23.1665 k = 0.3611 0.5292 0.3058 ( 670 PWs) bands (ev): -0.2912 -0.2912 -0.2908 -0.2908 1.2117 1.2117 1.2131 1.2131 4.4308 4.4308 4.4317 4.4317 9.4219 9.4219 9.4235 9.4235 21.3188 21.3188 21.3190 21.3190 23.1280 23.1280 23.1326 23.1326 k = 0.3571 0.5361 0.3058 ( 670 PWs) bands (ev): -0.2395 -0.2395 -0.2390 -0.2390 1.2035 1.2035 1.2050 1.2050 4.3554 4.3554 4.3563 4.3563 9.4288 9.4288 9.4304 9.4304 21.3438 21.3438 21.3440 21.3440 23.0937 23.0937 23.0985 23.0985 k = 0.3532 0.5430 0.3058 ( 670 PWs) bands (ev): -0.1906 -0.1906 -0.1901 -0.1901 1.1916 1.1916 1.1932 1.1932 4.2912 4.2912 4.2921 4.2921 9.4348 9.4348 9.4364 9.4364 21.3658 21.3658 21.3660 21.3660 23.0615 23.0615 23.0663 23.0663 k = 0.3492 0.5499 0.3058 ( 674 PWs) bands (ev): -0.1459 -0.1459 -0.1453 -0.1453 1.1769 1.1769 1.1786 1.1786 4.2386 4.2386 4.2396 4.2396 9.4398 9.4398 9.4414 9.4414 21.3844 21.3844 21.3845 21.3845 23.0329 23.0329 23.0378 23.0378 k = 0.3452 0.5567 0.3058 ( 670 PWs) bands (ev): -0.1071 -0.1071 -0.1064 -0.1064 1.1612 1.1612 1.1630 1.1630 4.1981 4.1981 4.1992 4.1992 9.4438 9.4438 9.4454 9.4454 21.3992 21.3992 21.3993 21.3993 23.0094 23.0094 23.0144 23.0144 k = 0.3413 0.5636 0.3058 ( 666 PWs) bands (ev): -0.0763 -0.0763 -0.0756 -0.0756 1.1464 1.1464 1.1483 1.1483 4.1696 4.1696 4.1706 4.1706 9.4468 9.4468 9.4484 9.4484 21.4099 21.4099 21.4100 21.4100 22.9921 22.9921 22.9972 22.9972 k = 0.3373 0.5705 0.3058 ( 666 PWs) bands (ev): -0.0561 -0.0561 -0.0553 -0.0553 1.1354 1.1354 1.1373 1.1373 4.1527 4.1527 4.1538 4.1538 9.4486 9.4486 9.4502 9.4502 21.4163 21.4163 21.4164 21.4164 22.9814 22.9814 22.9865 22.9865 k = 0.3333 0.5774 0.3058 ( 666 PWs) bands (ev): -0.0488 -0.0488 -0.0480 -0.0480 1.1311 1.1311 1.1330 1.1330 4.1472 4.1472 4.1483 4.1483 9.4492 9.4492 9.4508 9.4508 21.4184 21.4184 21.4185 21.4185 22.9778 22.9778 22.9828 22.9828 k = 0.3333 0.5774 0.3058 ( 666 PWs) bands (ev): -0.0488 -0.0488 -0.0480 -0.0480 1.1311 1.1311 1.1330 1.1330 4.1472 4.1472 4.1483 4.1483 9.4492 9.4492 9.4508 9.4508 21.4184 21.4184 21.4185 21.4185 22.9778 22.9778 22.9828 22.9828 k = 0.3294 0.5705 0.3058 ( 666 PWs) bands (ev): -0.0567 -0.0567 -0.0559 -0.0559 1.1362 1.1362 1.1381 1.1381 4.1525 4.1525 4.1536 4.1536 9.4486 9.4486 9.4502 9.4502 21.4164 21.4164 21.4164 21.4164 22.9814 22.9814 22.9865 22.9865 k = 0.3254 0.5636 0.3058 ( 666 PWs) bands (ev): -0.0810 -0.0810 -0.0803 -0.0803 1.1528 1.1528 1.1547 1.1547 4.1680 4.1680 4.1691 4.1691 9.4467 9.4467 9.4483 9.4483 21.4105 21.4105 21.4106 21.4106 22.9922 22.9922 22.9972 22.9972 k = 0.3214 0.5567 0.3058 ( 666 PWs) bands (ev): -0.1220 -0.1220 -0.1214 -0.1214 1.1817 1.1817 1.1835 1.1835 4.1930 4.1930 4.1940 4.1940 9.4434 9.4434 9.4450 9.4450 21.4013 21.4013 21.4014 21.4014 23.0098 23.0098 23.0148 23.0148 k = 0.3175 0.5499 0.3058 ( 670 PWs) bands (ev): -0.1787 -0.1787 -0.1782 -0.1782 1.2227 1.2227 1.2244 1.2244 4.2266 4.2266 4.2276 4.2276 9.4387 9.4387 9.4403 9.4403 21.3893 21.3893 21.3894 21.3894 23.0338 23.0338 23.0387 23.0387 k = 0.3135 0.5430 0.3058 ( 674 PWs) bands (ev): -0.2494 -0.2494 -0.2489 -0.2489 1.2749 1.2749 1.2764 1.2764 4.2683 4.2683 4.2692 4.2692 9.4326 9.4326 9.4343 9.4343 21.3750 21.3750 21.3751 21.3751 23.0637 23.0637 23.0686 23.0686 k = 0.3095 0.5361 0.3058 ( 682 PWs) bands (ev): -0.3320 -0.3320 -0.3316 -0.3316 1.3367 1.3367 1.3382 1.3382 4.3173 4.3173 4.3182 4.3182 9.4250 9.4250 9.4266 9.4266 21.3592 21.3592 21.3593 21.3593 23.0986 23.0986 23.1035 23.1035 k = 0.3056 0.5292 0.3058 ( 678 PWs) bands (ev): -0.4245 -0.4245 -0.4241 -0.4241 1.4071 1.4071 1.4085 1.4085 4.3731 4.3731 4.3740 4.3740 9.4161 9.4161 9.4177 9.4177 21.3424 21.3424 21.3425 21.3425 23.1386 23.1386 23.1434 23.1434 k = 0.3016 0.5224 0.3058 ( 680 PWs) bands (ev): -0.5250 -0.5250 -0.5247 -0.5247 1.4845 1.4845 1.4858 1.4858 4.4349 4.4349 4.4358 4.4358 9.4056 9.4056 9.4072 9.4072 21.3251 21.3251 21.3253 21.3253 23.1824 23.1824 23.1873 23.1873 k = 0.2976 0.5155 0.3058 ( 684 PWs) bands (ev): -0.6320 -0.6320 -0.6318 -0.6318 1.5680 1.5680 1.5692 1.5692 4.5024 4.5024 4.5033 4.5033 9.3936 9.3936 9.3952 9.3952 21.3079 21.3079 21.3081 21.3081 23.2298 23.2298 23.2345 23.2345 k = 0.2937 0.5086 0.3058 ( 688 PWs) bands (ev): -0.7442 -0.7442 -0.7440 -0.7440 1.6567 1.6567 1.6579 1.6579 4.5749 4.5749 4.5757 4.5757 9.3801 9.3801 9.3817 9.3817 21.2912 21.2912 21.2914 21.2914 23.2800 23.2800 23.2848 23.2848 k = 0.2897 0.5017 0.3058 ( 688 PWs) bands (ev): -0.8604 -0.8604 -0.8603 -0.8603 1.7500 1.7500 1.7511 1.7511 4.6521 4.6521 4.6529 4.6529 9.3651 9.3651 9.3667 9.3667 21.2754 21.2754 21.2755 21.2755 23.3327 23.3327 23.3374 23.3374 k = 0.2857 0.4949 0.3058 ( 688 PWs) bands (ev): -0.9798 -0.9798 -0.9797 -0.9797 1.8474 1.8474 1.8485 1.8485 4.7336 4.7336 4.7344 4.7344 9.3486 9.3486 9.3502 9.3502 21.2607 21.2607 21.2608 21.2608 23.3873 23.3873 23.3919 23.3919 k = 0.2817 0.4880 0.3058 ( 688 PWs) bands (ev): -1.1016 -1.1016 -1.1015 -1.1015 1.9484 1.9484 1.9494 1.9494 4.8190 4.8190 4.8197 4.8197 9.3306 9.3306 9.3321 9.3321 21.2474 21.2474 21.2476 21.2476 23.4432 23.4432 23.4479 23.4479 k = 0.2778 0.4811 0.3058 ( 684 PWs) bands (ev): -1.2252 -1.2252 -1.2251 -1.2251 2.0528 2.0528 2.0537 2.0537 4.9081 4.9081 4.9088 4.9088 9.3111 9.3111 9.3126 9.3126 21.2358 21.2358 21.2359 21.2359 23.5002 23.5002 23.5048 23.5048 k = 0.2738 0.4743 0.3058 ( 684 PWs) bands (ev): -1.3502 -1.3502 -1.3501 -1.3501 2.1601 2.1601 2.1611 2.1611 5.0004 5.0004 5.0011 5.0011 9.2901 9.2901 9.2917 9.2917 21.2258 21.2258 21.2260 21.2260 23.5574 23.5574 23.5619 23.5619 k = 0.2698 0.4674 0.3058 ( 680 PWs) bands (ev): -1.4760 -1.4760 -1.4759 -1.4759 2.2703 2.2703 2.2712 2.2712 5.0960 5.0960 5.0966 5.0966 9.2677 9.2677 9.2693 9.2693 21.2178 21.2178 21.2180 21.2180 23.6145 23.6145 23.6190 23.6190 k = 0.2659 0.4605 0.3058 ( 684 PWs) bands (ev): -1.6023 -1.6023 -1.6022 -1.6022 2.3831 2.3831 2.3840 2.3840 5.1943 5.1943 5.1949 5.1949 9.2436 9.2436 9.2452 9.2452 21.2115 21.2115 21.2118 21.2118 23.6706 23.6706 23.6750 23.6750 k = 0.2619 0.4536 0.3058 ( 684 PWs) bands (ev): -1.7288 -1.7288 -1.7287 -1.7287 2.4984 2.4984 2.4993 2.4993 5.2952 5.2952 5.2958 5.2958 9.2186 9.2186 9.2201 9.2201 21.2071 21.2071 21.2075 21.2075 23.7248 23.7248 23.7292 23.7292 k = 0.2579 0.4468 0.3058 ( 684 PWs) bands (ev): -1.8553 -1.8553 -1.8552 -1.8552 2.6161 2.6161 2.6169 2.6169 5.3986 5.3986 5.3992 5.3992 9.1922 9.1922 9.1937 9.1937 21.2047 21.2047 21.2051 21.2051 23.7757 23.7757 23.7800 23.7800 k = 0.2540 0.4399 0.3058 ( 684 PWs) bands (ev): -1.9814 -1.9814 -1.9813 -1.9813 2.7360 2.7360 2.7368 2.7368 5.5043 5.5043 5.5049 5.5049 9.1646 9.1646 9.1661 9.1661 21.2041 21.2041 21.2046 21.2046 23.8204 23.8204 23.8247 23.8247 k = 0.2500 0.4330 0.3058 ( 682 PWs) bands (ev): -2.1070 -2.1070 -2.1069 -2.1069 2.8581 2.8581 2.8589 2.8589 5.6121 5.6121 5.6126 5.6126 9.1360 9.1360 9.1374 9.1374 21.2052 21.2052 21.2059 21.2059 23.8534 23.8534 23.8577 23.8577 k = 0.2460 0.4261 0.3058 ( 682 PWs) bands (ev): -2.2319 -2.2319 -2.2319 -2.2319 2.9822 2.9822 2.9829 2.9829 5.7219 5.7219 5.7224 5.7224 9.1062 9.1062 9.1077 9.1077 21.2080 21.2080 21.2088 21.2088 23.8634 23.8634 23.8677 23.8677 k = 0.2421 0.4193 0.3058 ( 686 PWs) bands (ev): -2.3561 -2.3561 -2.3560 -2.3560 3.1082 3.1082 3.1089 3.1089 5.8333 5.8333 5.8338 5.8338 9.0756 9.0756 9.0770 9.0770 21.2123 21.2123 21.2131 21.2131 23.8364 23.8364 23.8407 23.8407 k = 0.2381 0.4124 0.3058 ( 682 PWs) bands (ev): -2.4792 -2.4792 -2.4791 -2.4791 3.2362 3.2362 3.2369 3.2369 5.9466 5.9466 5.9470 5.9470 9.0440 9.0440 9.0455 9.0455 21.2180 21.2180 21.2190 21.2190 23.7737 23.7738 23.7782 23.7782 k = 0.2341 0.4055 0.3058 ( 682 PWs) bands (ev): -2.6013 -2.6013 -2.6012 -2.6012 3.3660 3.3660 3.3667 3.3667 6.0614 6.0614 6.0617 6.0617 9.0118 9.0118 9.0133 9.0133 21.2248 21.2248 21.2259 21.2259 23.6901 23.6901 23.6946 23.6946 k = 0.2302 0.3986 0.3058 ( 682 PWs) bands (ev): -2.7222 -2.7222 -2.7221 -2.7221 3.4975 3.4975 3.4982 3.4982 6.1774 6.1774 6.1777 6.1777 8.9789 8.9789 8.9804 8.9804 21.2328 21.2328 21.2340 21.2340 23.5970 23.5970 23.6015 23.6015 k = 0.2262 0.3918 0.3058 ( 686 PWs) bands (ev): -2.8418 -2.8418 -2.8417 -2.8417 3.6306 3.6306 3.6313 3.6313 6.2945 6.2945 6.2948 6.2948 8.9456 8.9456 8.9471 8.9471 21.2416 21.2416 21.2429 21.2429 23.4995 23.4995 23.5040 23.5040 k = 0.2222 0.3849 0.3058 ( 686 PWs) bands (ev): -2.9602 -2.9602 -2.9601 -2.9601 3.7654 3.7654 3.7660 3.7660 6.4128 6.4128 6.4130 6.4130 8.9121 8.9121 8.9136 8.9136 21.2510 21.2510 21.2525 21.2525 23.4003 23.4003 23.4048 23.4048 k = 0.2183 0.3780 0.3058 ( 686 PWs) bands (ev): -3.0769 -3.0769 -3.0769 -3.0769 3.9016 3.9016 3.9022 3.9022 6.5318 6.5318 6.5320 6.5320 8.8783 8.8783 8.8798 8.8798 21.2610 21.2610 21.2626 21.2626 23.3008 23.3008 23.3052 23.3052 k = 0.2143 0.3712 0.3058 ( 682 PWs) bands (ev): -3.1922 -3.1922 -3.1921 -3.1921 4.0393 4.0393 4.0399 4.0399 6.6516 6.6516 6.6517 6.6517 8.8447 8.8447 8.8462 8.8462 21.2712 21.2712 21.2729 21.2729 23.2016 23.2016 23.2060 23.2060 k = 0.2103 0.3643 0.3058 ( 682 PWs) bands (ev): -3.3059 -3.3059 -3.3058 -3.3058 4.1782 4.1782 4.1788 4.1788 6.7717 6.7717 6.7718 6.7718 8.8113 8.8113 8.8128 8.8128 21.2814 21.2814 21.2833 21.2833 23.1031 23.1031 23.1075 23.1075 k = 0.2063 0.3574 0.3058 ( 680 PWs) bands (ev): -3.4180 -3.4180 -3.4179 -3.4179 4.3183 4.3183 4.3189 4.3189 6.8920 6.8920 6.8921 6.8921 8.7786 8.7786 8.7802 8.7802 21.2915 21.2915 21.2936 21.2936 23.0057 23.0057 23.0101 23.0101 k = 0.2024 0.3505 0.3058 ( 680 PWs) bands (ev): -3.5284 -3.5284 -3.5283 -3.5283 4.4595 4.4595 4.4601 4.4601 7.0122 7.0122 7.0123 7.0123 8.7468 8.7468 8.7484 8.7484 21.3012 21.3012 21.3034 21.3034 22.9097 22.9097 22.9140 22.9140 k = 0.1984 0.3437 0.3058 ( 680 PWs) bands (ev): -3.6371 -3.6371 -3.6370 -3.6370 4.6016 4.6016 4.6022 4.6022 7.1319 7.1319 7.1321 7.1321 8.7163 8.7163 8.7180 8.7180 21.3103 21.3103 21.3127 21.3127 22.8152 22.8152 22.8195 22.8195 k = 0.1944 0.3368 0.3058 ( 680 PWs) bands (ev): -3.7440 -3.7440 -3.7439 -3.7439 4.7445 4.7445 4.7451 4.7451 7.2507 7.2507 7.2510 7.2510 8.6878 8.6878 8.6895 8.6895 21.3186 21.3186 21.3212 21.3212 22.7224 22.7224 22.7267 22.7267 k = 0.1905 0.3299 0.3058 ( 680 PWs) bands (ev): -3.8491 -3.8491 -3.8490 -3.8490 4.8881 4.8881 4.8887 4.8887 7.3679 7.3679 7.3684 7.3684 8.6617 8.6617 8.6635 8.6635 21.3260 21.3260 21.3287 21.3287 22.6315 22.6315 22.6358 22.6358 k = 0.1865 0.3230 0.3058 ( 680 PWs) bands (ev): -3.9524 -3.9524 -3.9523 -3.9523 5.0321 5.0321 5.0326 5.0326 7.4828 7.4828 7.4834 7.4834 8.6393 8.6393 8.6411 8.6411 21.3323 21.3323 21.3351 21.3351 22.5426 22.5426 22.5469 22.5469 k = 0.1825 0.3162 0.3058 ( 680 PWs) bands (ev): -4.0538 -4.0538 -4.0537 -4.0537 5.1763 5.1763 5.1768 5.1768 7.5942 7.5942 7.5950 7.5950 8.6216 8.6216 8.6236 8.6236 21.3372 21.3372 21.3402 21.3402 22.4558 22.4558 22.4601 22.4601 k = 0.1786 0.3093 0.3058 ( 680 PWs) bands (ev): -4.1533 -4.1533 -4.1532 -4.1532 5.3204 5.3204 5.3209 5.3209 7.7006 7.7006 7.7015 7.7015 8.6104 8.6104 8.6126 8.6126 21.3408 21.3408 21.3439 21.3439 22.3712 22.3712 22.3755 22.3755 k = 0.1746 0.3024 0.3058 ( 682 PWs) bands (ev): -4.2508 -4.2508 -4.2507 -4.2507 5.4641 5.4641 5.4646 5.4646 7.7997 7.7997 7.8008 7.8008 8.6082 8.6082 8.6105 8.6105 21.3428 21.3428 21.3461 21.3461 22.2890 22.2890 22.2933 22.2933 k = 0.1706 0.2955 0.3058 ( 682 PWs) bands (ev): -4.3464 -4.3464 -4.3464 -4.3464 5.6069 5.6069 5.6074 5.6074 7.8888 7.8888 7.8901 7.8901 8.6180 8.6180 8.6205 8.6205 21.3432 21.3432 21.3466 21.3466 22.2093 22.2093 22.2135 22.2135 k = 0.1667 0.2887 0.3058 ( 682 PWs) bands (ev): -4.4401 -4.4401 -4.4400 -4.4400 5.7485 5.7485 5.7489 5.7489 7.9651 7.9651 7.9665 7.9665 8.6433 8.6433 8.6458 8.6458 21.3418 21.3418 21.3454 21.3454 22.1321 22.1321 22.1364 22.1364 k = 0.1627 0.2818 0.3058 ( 678 PWs) bands (ev): -4.5317 -4.5317 -4.5316 -4.5316 5.8882 5.8882 5.8887 5.8887 8.0266 8.0266 8.0281 8.0281 8.6865 8.6865 8.6891 8.6891 21.3386 21.3386 21.3423 21.3423 22.0577 22.0577 22.0619 22.0619 k = 0.1587 0.2749 0.3058 ( 678 PWs) bands (ev): -4.6213 -4.6213 -4.6212 -4.6212 6.0251 6.0251 6.0256 6.0256 8.0735 8.0735 8.0749 8.0749 8.7478 8.7478 8.7503 8.7503 21.3335 21.3335 21.3373 21.3373 21.9860 21.9860 21.9903 21.9903 k = 0.1548 0.2681 0.3058 ( 678 PWs) bands (ev): -4.7089 -4.7089 -4.7088 -4.7088 6.1585 6.1585 6.1589 6.1589 8.1088 8.1088 8.1102 8.1102 8.8251 8.8251 8.8274 8.8274 21.3265 21.3265 21.3304 21.3304 21.9173 21.9173 21.9215 21.9215 k = 0.1508 0.2612 0.3058 ( 674 PWs) bands (ev): -4.7944 -4.7944 -4.7943 -4.7943 6.2871 6.2871 6.2875 6.2875 8.1372 8.1372 8.1384 8.1384 8.9146 8.9146 8.9167 8.9167 21.3175 21.3175 21.3215 21.3215 21.8518 21.8518 21.8560 21.8560 k = 0.1468 0.2543 0.3058 ( 674 PWs) bands (ev): -4.8778 -4.8778 -4.8777 -4.8777 6.4097 6.4097 6.4100 6.4100 8.1633 8.1633 8.1644 8.1644 9.0128 9.0128 9.0148 9.0148 21.3064 21.3064 21.3104 21.3104 21.7894 21.7894 21.7935 21.7935 k = 0.1429 0.2474 0.3058 ( 674 PWs) bands (ev): -4.9592 -4.9592 -4.9591 -4.9591 6.5247 6.5247 6.5250 6.5250 8.1915 8.1915 8.1925 8.1925 9.1168 9.1168 9.1186 9.1186 21.2931 21.2931 21.2972 21.2972 21.7305 21.7305 21.7345 21.7345 k = 0.1389 0.2406 0.3058 ( 674 PWs) bands (ev): -5.0384 -5.0384 -5.0383 -5.0383 6.6304 6.6304 6.6308 6.6308 8.2253 8.2253 8.2262 8.2262 9.2244 9.2244 9.2261 9.2261 21.2777 21.2777 21.2817 21.2817 21.6750 21.6750 21.6789 21.6789 k = 0.1349 0.2337 0.3058 ( 670 PWs) bands (ev): -5.1156 -5.1156 -5.1155 -5.1155 6.7255 6.7255 6.7258 6.7258 8.2677 8.2677 8.2685 8.2685 9.3342 9.3342 9.3357 9.3357 21.2603 21.2603 21.2641 21.2641 21.6232 21.6232 21.6269 21.6269 k = 0.1310 0.2268 0.3058 ( 666 PWs) bands (ev): -5.1906 -5.1906 -5.1905 -5.1905 6.8080 6.8080 6.8084 6.8084 8.3211 8.3211 8.3219 8.3219 9.4451 9.4451 9.4465 9.4465 21.2407 21.2407 21.2444 21.2444 21.5752 21.5752 21.5786 21.5786 k = 0.1270 0.2199 0.3058 ( 674 PWs) bands (ev): -5.2635 -5.2635 -5.2634 -5.2634 6.8773 6.8773 6.8777 6.8777 8.3867 8.3867 8.3874 8.3874 9.5562 9.5562 9.5575 9.5575 21.2186 21.2186 21.2220 21.2220 21.5308 21.5308 21.5339 21.5339 k = 0.1230 0.2131 0.3058 ( 674 PWs) bands (ev): -5.3342 -5.3342 -5.3341 -5.3341 6.9332 6.9332 6.9335 6.9335 8.4654 8.4654 8.4660 8.4660 9.6670 9.6670 9.6682 9.6682 21.1951 21.1951 21.1982 21.1982 21.4901 21.4901 21.4928 21.4928 k = 0.1190 0.2062 0.3058 ( 674 PWs) bands (ev): -5.4028 -5.4028 -5.4027 -5.4027 6.9762 6.9762 6.9766 6.9766 8.5566 8.5566 8.5573 8.5573 9.7771 9.7771 9.7782 9.7782 21.1701 21.1701 21.1729 21.1729 21.4529 21.4529 21.4551 21.4551 k = 0.1151 0.1993 0.3058 ( 670 PWs) bands (ev): -5.4691 -5.4691 -5.4691 -5.4691 7.0076 7.0076 7.0079 7.0079 8.6596 8.6596 8.6602 8.6602 9.8860 9.8860 9.8871 9.8871 21.1441 21.1441 21.1465 21.1465 21.4188 21.4188 21.4206 21.4206 k = 0.1111 0.1925 0.3058 ( 670 PWs) bands (ev): -5.5333 -5.5333 -5.5333 -5.5333 7.0288 7.0288 7.0291 7.0291 8.7724 8.7724 8.7730 8.7730 9.9935 9.9935 9.9944 9.9944 21.1174 21.1174 21.1194 21.1194 21.3874 21.3874 21.3887 21.3887 k = 0.1071 0.1856 0.3058 ( 670 PWs) bands (ev): -5.5953 -5.5953 -5.5953 -5.5953 7.0415 7.0415 7.0418 7.0418 8.8937 8.8937 8.8943 8.8943 10.0991 10.0991 10.1000 10.1000 21.0906 21.0906 21.0921 21.0921 21.3583 21.3583 21.3592 21.3592 k = 0.1032 0.1787 0.3058 ( 670 PWs) bands (ev): -5.6552 -5.6552 -5.6551 -5.6551 7.0473 7.0473 7.0477 7.0477 9.0216 9.0216 9.0222 9.0222 10.2027 10.2027 10.2036 10.2036 21.0640 21.0640 21.0651 21.0651 21.3311 21.3311 21.3316 21.3316 k = 0.0992 0.1718 0.3058 ( 674 PWs) bands (ev): -5.7128 -5.7128 -5.7127 -5.7127 7.0477 7.0477 7.0480 7.0480 9.1548 9.1548 9.1553 9.1553 10.3041 10.3041 10.3050 10.3050 21.0377 21.0377 21.0385 21.0385 21.3053 21.3053 21.3057 21.3057 k = 0.0952 0.1650 0.3058 ( 670 PWs) bands (ev): -5.7682 -5.7682 -5.7681 -5.7681 7.0439 7.0439 7.0442 7.0442 9.2921 9.2921 9.2926 9.2926 10.4032 10.4032 10.4040 10.4040 21.0129 21.0129 21.0133 21.0133 21.2808 21.2808 21.2813 21.2813 k = 0.0913 0.1581 0.3058 ( 670 PWs) bands (ev): -5.8214 -5.8214 -5.8213 -5.8213 7.0367 7.0367 7.0370 7.0370 9.4318 9.4318 9.4323 9.4323 10.4995 10.4995 10.5002 10.5002 20.9892 20.9892 20.9893 20.9893 21.2572 21.2572 21.2580 21.2580 k = 0.0873 0.1512 0.3058 ( 670 PWs) bands (ev): -5.8724 -5.8724 -5.8723 -5.8723 7.0271 7.0271 7.0274 7.0274 9.5732 9.5732 9.5737 9.5737 10.5930 10.5930 10.5937 10.5937 20.9668 20.9668 20.9669 20.9669 21.2346 21.2346 21.2357 21.2357 k = 0.0833 0.1443 0.3058 ( 670 PWs) bands (ev): -5.9211 -5.9211 -5.9210 -5.9210 7.0156 7.0156 7.0160 7.0160 9.7154 9.7154 9.7159 9.7159 10.6836 10.6836 10.6843 10.6843 20.9458 20.9458 20.9462 20.9462 21.2128 21.2128 21.2141 21.2141 k = 0.0794 0.1375 0.3058 ( 670 PWs) bands (ev): -5.9676 -5.9676 -5.9675 -5.9675 7.0029 7.0029 7.0033 7.0033 9.8576 9.8576 9.8581 9.8581 10.7710 10.7710 10.7716 10.7716 20.9266 20.9266 20.9272 20.9272 21.1917 21.1917 21.1932 21.1932 k = 0.0754 0.1306 0.3058 ( 670 PWs) bands (ev): -6.0119 -6.0119 -6.0118 -6.0118 6.9894 6.9894 6.9897 6.9897 9.9990 9.9990 9.9995 9.9995 10.8550 10.8550 10.8556 10.8556 20.9092 20.9092 20.9100 20.9100 21.1712 21.1712 21.1729 21.1729 k = 0.0714 0.1237 0.3058 ( 670 PWs) bands (ev): -6.0539 -6.0539 -6.0538 -6.0538 6.9753 6.9753 6.9756 6.9756 10.1390 10.1390 10.1395 10.1395 10.9357 10.9357 10.9362 10.9362 20.8936 20.8936 20.8945 20.8945 21.1513 21.1513 21.1532 21.1532 k = 0.0675 0.1168 0.3058 ( 670 PWs) bands (ev): -6.0936 -6.0936 -6.0935 -6.0935 6.9610 6.9610 6.9613 6.9613 10.2769 10.2769 10.2773 10.2773 11.0127 11.0127 11.0132 11.0132 20.8797 20.8797 20.8808 20.8808 21.1319 21.1319 21.1339 21.1339 k = 0.0635 0.1100 0.3058 ( 670 PWs) bands (ev): -6.1312 -6.1312 -6.1311 -6.1311 6.9467 6.9467 6.9471 6.9471 10.4121 10.4121 10.4125 10.4125 11.0860 11.0860 11.0865 11.0865 20.8675 20.8675 20.8687 20.8687 21.1129 21.1129 21.1151 21.1151 k = 0.0595 0.1031 0.3058 ( 670 PWs) bands (ev): -6.1664 -6.1664 -6.1663 -6.1663 6.9326 6.9326 6.9330 6.9330 10.5439 10.5439 10.5443 10.5443 11.1555 11.1555 11.1559 11.1559 20.8570 20.8570 20.8583 20.8583 21.0943 21.0943 21.0966 21.0966 k = 0.0556 0.0962 0.3058 ( 670 PWs) bands (ev): -6.1994 -6.1994 -6.1993 -6.1993 6.9189 6.9189 6.9193 6.9193 10.6717 10.6717 10.6720 10.6720 11.2210 11.2210 11.2214 11.2214 20.8481 20.8481 20.8495 20.8495 21.0761 21.0761 21.0785 21.0785 k = 0.0516 0.0894 0.3058 ( 670 PWs) bands (ev): -6.2301 -6.2301 -6.2301 -6.2301 6.9058 6.9058 6.9061 6.9061 10.7948 10.7948 10.7951 10.7951 11.2824 11.2824 11.2828 11.2828 20.8407 20.8407 20.8422 20.8422 21.0581 21.0581 21.0605 21.0605 k = 0.0476 0.0825 0.3058 ( 670 PWs) bands (ev): -6.2586 -6.2586 -6.2585 -6.2585 6.8932 6.8932 6.8935 6.8935 10.9125 10.9125 10.9129 10.9129 11.3397 11.3397 11.3400 11.3400 20.8348 20.8348 20.8362 20.8362 21.0402 21.0402 21.0427 21.0427 k = 0.0437 0.0756 0.3058 ( 670 PWs) bands (ev): -6.2848 -6.2848 -6.2847 -6.2847 6.8814 6.8814 6.8817 6.8817 11.0243 11.0243 11.0246 11.0246 11.3927 11.3927 11.3930 11.3930 20.8301 20.8301 20.8316 20.8316 21.0222 21.0222 21.0247 21.0247 k = 0.0397 0.0687 0.3058 ( 670 PWs) bands (ev): -6.3087 -6.3087 -6.3087 -6.3087 6.8703 6.8703 6.8707 6.8707 11.1295 11.1295 11.1297 11.1297 11.4414 11.4414 11.4417 11.4417 20.8265 20.8265 20.8281 20.8281 21.0040 21.0040 21.0065 21.0065 k = 0.0357 0.0619 0.3058 ( 670 PWs) bands (ev): -6.3304 -6.3304 -6.3303 -6.3303 6.8601 6.8601 6.8605 6.8605 11.2272 11.2272 11.2275 11.2275 11.4856 11.4856 11.4859 11.4859 20.8240 20.8240 20.8256 20.8256 20.9851 20.9851 20.9876 20.9876 k = 0.0317 0.0550 0.3058 ( 670 PWs) bands (ev): -6.3498 -6.3498 -6.3497 -6.3497 6.8509 6.8509 6.8513 6.8513 11.3170 11.3170 11.3172 11.3172 11.5254 11.5254 11.5257 11.5257 20.8225 20.8225 20.8239 20.8239 20.9654 20.9654 20.9677 20.9677 k = 0.0278 0.0481 0.3058 ( 670 PWs) bands (ev): -6.3669 -6.3669 -6.3668 -6.3668 6.8427 6.8427 6.8430 6.8430 11.3981 11.3981 11.3983 11.3983 11.5607 11.5607 11.5609 11.5609 20.8216 20.8216 20.8230 20.8230 20.9443 20.9443 20.9465 20.9465 k = 0.0238 0.0412 0.3058 ( 670 PWs) bands (ev): -6.3817 -6.3817 -6.3816 -6.3816 6.8354 6.8354 6.8358 6.8358 11.4698 11.4698 11.4700 11.4700 11.5914 11.5914 11.5916 11.5916 20.8214 20.8214 20.8227 20.8227 20.9220 20.9220 20.9239 20.9239 k = 0.0198 0.0344 0.3058 ( 670 PWs) bands (ev): -6.3943 -6.3943 -6.3942 -6.3942 6.8293 6.8293 6.8296 6.8296 11.5316 11.5316 11.5318 11.5318 11.6175 11.6175 11.6176 11.6176 20.8215 20.8215 20.8227 20.8227 20.8988 20.8988 20.9004 20.9004 k = 0.0159 0.0275 0.3058 ( 674 PWs) bands (ev): -6.4046 -6.4046 -6.4045 -6.4045 6.8242 6.8242 6.8245 6.8245 11.5828 11.5828 11.5829 11.5829 11.6388 11.6388 11.6390 11.6390 20.8219 20.8219 20.8229 20.8229 20.8759 20.8759 20.8772 20.8772 k = 0.0119 0.0206 0.3058 ( 674 PWs) bands (ev): -6.4125 -6.4125 -6.4125 -6.4125 6.8202 6.8202 6.8205 6.8205 11.6231 11.6231 11.6232 11.6232 11.6557 11.6557 11.6558 11.6558 20.8223 20.8223 20.8231 20.8231 20.8554 20.8554 20.8563 20.8563 k = 0.0079 0.0137 0.3058 ( 674 PWs) bands (ev): -6.4182 -6.4182 -6.4182 -6.4182 6.8173 6.8173 6.8177 6.8177 11.6518 11.6518 11.6518 11.6518 11.6682 11.6682 11.6683 11.6683 20.8224 20.8224 20.8229 20.8229 20.8395 20.8395 20.8400 20.8400 k = 0.0040 0.0069 0.3058 ( 670 PWs) bands (ev): -6.4217 -6.4217 -6.4216 -6.4216 6.8156 6.8156 6.8160 6.8160 11.6680 11.6680 11.6681 11.6681 11.6770 11.6770 11.6771 11.6771 20.8214 20.8214 20.8216 20.8216 20.8305 20.8305 20.8307 20.8307 k = 0.0000 0.0000 0.3058 ( 664 PWs) bands (ev): -6.4228 -6.4228 -6.4227 -6.4227 6.8151 6.8151 6.8154 6.8154 11.6726 11.6726 11.6727 11.6727 11.6810 11.6810 11.6811 11.6811 20.8202 20.8202 20.8202 20.8202 20.8285 20.8285 20.8286 20.8286 k = 0.5000 0.2887 0.3058 ( 676 PWs) bands (ev): -1.4396 -1.4396 -1.4395 -1.4395 0.6635 0.6635 0.6636 0.6636 8.4782 8.4782 8.4782 8.4782 8.9298 8.9298 8.9300 8.9300 19.4018 19.4018 19.4021 19.4021 20.5271 20.5271 20.5271 20.5271 k = 0.5000 0.2887 0.2980 ( 680 PWs) bands (ev): -1.5133 -1.5133 -1.3650 -1.3650 0.5895 0.5895 0.7403 0.7403 8.4118 8.4118 8.5455 8.5455 8.8505 8.8505 9.0018 9.0018 19.3312 19.3312 19.4733 19.4733 20.4307 20.4307 20.6341 20.6341 k = 0.5000 0.2887 0.2901 ( 684 PWs) bands (ev): -1.5859 -1.5859 -1.2897 -1.2897 0.5184 0.5184 0.8194 0.8194 8.3464 8.3464 8.6137 8.6137 8.7641 8.7641 9.0660 9.0660 19.2615 19.2615 19.5449 19.5449 20.3456 20.3456 20.7509 20.7509 k = 0.5000 0.2887 0.2823 ( 680 PWs) bands (ev): -1.6572 -1.6572 -1.2140 -1.2140 0.4507 0.4507 0.9009 0.9009 8.2821 8.2821 8.6710 8.6710 8.6827 8.6827 9.1224 9.1224 19.1930 19.1930 19.6160 19.6160 20.2734 20.2734 20.8772 20.8772 k = 0.5000 0.2887 0.2745 ( 680 PWs) bands (ev): -1.7270 -1.7270 -1.1385 -1.1385 0.3869 0.3869 0.9845 0.9845 8.2190 8.2190 8.5718 8.5718 8.7523 8.7523 9.1701 9.1701 19.1259 19.1259 19.6848 19.6848 20.2149 20.2149 21.0124 21.0124 k = 0.5000 0.2887 0.2666 ( 680 PWs) bands (ev): -1.7953 -1.7953 -1.0636 -1.0636 0.3274 0.3274 1.0701 1.0701 8.1571 8.1571 8.4667 8.4667 8.8226 8.8226 9.2093 9.2093 19.0603 19.0603 19.7490 19.7490 20.1733 20.1733 21.1558 21.1558 k = 0.5000 0.2887 0.2588 ( 680 PWs) bands (ev): -1.8621 -1.8621 -0.9904 -0.9904 0.2732 0.2732 1.1576 1.1576 8.0965 8.0965 8.3562 8.3562 8.8934 8.8934 9.2398 9.2398 18.9962 18.9962 19.8044 19.8044 20.1526 20.1526 21.3071 21.3071 k = 0.5000 0.2887 0.2509 ( 682 PWs) bands (ev): -1.9271 -1.9271 -0.9198 -0.9198 0.2255 0.2255 1.2468 1.2468 8.0372 8.0372 8.2408 8.2408 8.9646 8.9646 9.2612 9.2612 18.9337 18.9337 19.8458 19.8458 20.1579 20.1579 21.4658 21.4658 k = 0.5000 0.2887 0.2431 ( 682 PWs) bands (ev): -1.9905 -1.9905 -0.8535 -0.8535 0.1857 0.1857 1.3377 1.3377 7.9793 7.9793 8.1208 8.1208 9.0361 9.0361 9.2740 9.2740 18.8730 18.8730 19.8720 19.8720 20.1908 20.1908 21.6313 21.6313 k = 0.5000 0.2887 0.2353 ( 684 PWs) bands (ev): -2.0520 -2.0520 -0.7935 -0.7935 0.1560 0.1560 1.4301 1.4301 7.9228 7.9228 7.9966 7.9966 9.1076 9.1076 9.2778 9.2778 18.8140 18.8140 19.8884 19.8884 20.2453 20.2453 21.8033 21.8033 k = 0.5000 0.2887 0.2274 ( 686 PWs) bands (ev): -2.1117 -2.1117 -0.7422 -0.7422 0.1387 0.1387 1.5238 1.5238 7.8666 7.8666 7.8698 7.8698 9.1794 9.1794 9.2728 9.2728 18.7567 18.7567 19.9027 19.9027 20.3135 20.3135 21.9812 21.9812 k = 0.5000 0.2887 0.2196 ( 686 PWs) bands (ev): -2.1697 -2.1697 -0.7021 -0.7021 0.1363 0.1363 1.6189 1.6189 7.7372 7.7372 7.8144 7.8144 9.2504 9.2504 9.2601 9.2601 18.7013 18.7013 19.9203 19.9203 20.3898 20.3898 22.1647 22.1647 k = 0.5000 0.2887 0.2117 ( 682 PWs) bands (ev): -2.2257 -2.2257 -0.6753 -0.6753 0.1508 0.1508 1.7152 1.7152 7.6029 7.6029 7.7625 7.7625 9.2381 9.2381 9.3228 9.3228 18.6476 18.6476 19.9439 19.9439 20.4712 20.4712 22.3534 22.3534 k = 0.5000 0.2887 0.2039 ( 682 PWs) bands (ev): -2.2798 -2.2798 -0.6623 -0.6623 0.1828 0.1828 1.8126 1.8126 7.4659 7.4659 7.7122 7.7122 9.2085 9.2085 9.3939 9.3939 18.5958 18.5958 19.9745 19.9745 20.5556 20.5556 22.5466 22.5466 k = 0.5000 0.2887 0.1960 ( 682 PWs) bands (ev): -2.3321 -2.3321 -0.6619 -0.6619 0.2311 0.2311 1.9108 1.9108 7.3266 7.3266 7.6635 7.6635 9.1714 9.1714 9.4647 9.4647 18.5458 18.5458 20.0128 20.0128 20.6421 20.6421 22.7440 22.7440 k = 0.5000 0.2887 0.1882 ( 686 PWs) bands (ev): -2.3825 -2.3825 -0.6721 -0.6721 0.2934 0.2934 2.0098 2.0098 7.1853 7.1853 7.6165 7.6165 9.1271 9.1271 9.5347 9.5347 18.4977 18.4977 20.0588 20.0588 20.7298 20.7298 22.9451 22.9451 k = 0.5000 0.2887 0.1804 ( 686 PWs) bands (ev): -2.4308 -2.4308 -0.6899 -0.6899 0.3670 0.3670 2.1095 2.1095 7.0423 7.0423 7.5711 7.5711 9.0763 9.0763 9.6041 9.6041 18.4515 18.4515 20.1122 20.1122 20.8186 20.8186 23.1495 23.1495 k = 0.5000 0.2887 0.1725 ( 686 PWs) bands (ev): -2.4772 -2.4772 -0.7132 -0.7132 0.4495 0.4495 2.2096 2.2096 6.8979 6.8979 7.5276 7.5276 9.0193 9.0193 9.6724 9.6724 18.4072 18.4072 20.1726 20.1726 20.9079 20.9079 23.3568 23.3568 k = 0.5000 0.2887 0.1647 ( 686 PWs) bands (ev): -2.5215 -2.5215 -0.7400 -0.7400 0.5390 0.5390 2.3099 2.3099 6.7524 6.7524 7.4857 7.4857 8.9567 8.9567 9.7397 9.7397 18.3648 18.3648 20.2396 20.2396 20.9973 20.9973 23.3950 23.3950 k = 0.5000 0.2887 0.1568 ( 686 PWs) bands (ev): -2.5639 -2.5639 -0.7688 -0.7688 0.6340 0.6340 2.4104 2.4104 6.6061 6.6061 7.4457 7.4457 8.8893 8.8893 9.8057 9.8057 18.3243 18.3243 20.3126 20.3126 21.0864 21.0864 23.2646 23.2646 k = 0.5000 0.2887 0.1490 ( 686 PWs) bands (ev): -2.6043 -2.6043 -0.7987 -0.7987 0.7332 0.7332 2.5106 2.5106 6.4594 6.4594 7.4075 7.4075 8.8176 8.8176 9.8702 9.8702 18.2858 18.2858 20.3911 20.3911 21.1749 21.1749 23.1385 23.1385 k = 0.5000 0.2887 0.1412 ( 686 PWs) bands (ev): -2.6426 -2.6426 -0.8288 -0.8288 0.8359 0.8359 2.6105 2.6105 6.3123 6.3123 7.3710 7.3710 8.7422 8.7422 9.9330 9.9330 18.2492 18.2492 20.4743 20.4743 21.2624 21.2624 23.0167 23.0167 k = 0.5000 0.2887 0.1333 ( 686 PWs) bands (ev): -2.6789 -2.6789 -0.8586 -0.8586 0.9413 0.9413 2.7096 2.7096 6.1654 6.1654 7.3365 7.3365 8.6639 8.6639 9.9940 9.9940 18.2146 18.2146 20.5617 20.5617 21.3485 21.3485 22.8997 22.8997 k = 0.5000 0.2887 0.1255 ( 682 PWs) bands (ev): -2.7132 -2.7132 -0.8878 -0.8878 1.0491 1.0491 2.8078 2.8078 6.0189 6.0189 7.3038 7.3038 8.5833 8.5833 10.0529 10.0529 18.1819 18.1819 20.6526 20.6526 21.4328 21.4328 22.7876 22.7876 k = 0.5000 0.2887 0.1176 ( 678 PWs) bands (ev): -2.7454 -2.7454 -0.9159 -0.9159 1.1585 1.1585 2.9046 2.9046 5.8732 5.8732 7.2730 7.2730 8.5011 8.5011 10.1096 10.1096 18.1511 18.1511 20.7462 20.7462 21.5149 21.5149 22.6808 22.6808 k = 0.5000 0.2887 0.1098 ( 678 PWs) bands (ev): -2.7756 -2.7756 -0.9428 -0.9428 1.2692 1.2692 2.9996 2.9996 5.7285 5.7285 7.2441 7.2441 8.4182 8.4182 10.1639 10.1639 18.1224 18.1224 20.8418 20.8418 21.5942 21.5942 22.5793 22.5793 k = 0.5000 0.2887 0.1019 ( 682 PWs) bands (ev): -2.8037 -2.8037 -0.9684 -0.9684 1.3807 1.3807 3.0923 3.0923 5.5850 5.5850 7.2172 7.2172 8.3351 8.3351 10.2155 10.2155 18.0955 18.0955 20.9386 20.9386 21.6701 21.6701 22.4836 22.4836 k = 0.5000 0.2887 0.0941 ( 682 PWs) bands (ev): -2.8298 -2.8298 -0.9923 -0.9923 1.4925 1.4925 3.1824 3.1824 5.4437 5.4437 7.1922 7.1922 8.2528 8.2528 10.2642 10.2642 18.0706 18.0706 21.0359 21.0359 21.7424 21.7424 22.3938 22.3938 k = 0.5000 0.2887 0.0863 ( 682 PWs) bands (ev): -2.8538 -2.8538 -1.0147 -1.0147 1.6041 1.6041 3.2692 3.2692 5.3049 5.3049 7.1691 7.1691 8.1722 8.1722 10.3100 10.3100 18.0477 18.0477 21.1329 21.1329 21.8103 21.8103 22.3102 22.3102 k = 0.5000 0.2887 0.0784 ( 682 PWs) bands (ev): -2.8757 -2.8757 -1.0352 -1.0352 1.7149 1.7149 3.3522 3.3522 5.1692 5.1692 7.1480 7.1480 8.0940 8.0940 10.3525 10.3525 18.0268 18.0268 21.2286 21.2286 21.8732 21.8732 22.2330 22.2330 k = 0.5000 0.2887 0.0706 ( 680 PWs) bands (ev): -2.8955 -2.8955 -1.0540 -1.0540 1.8241 1.8241 3.4306 3.4306 5.0374 5.0374 7.1289 7.1289 8.0192 8.0192 10.3915 10.3915 18.0079 18.0079 21.3222 21.3222 21.9310 21.9310 22.1624 22.1624 k = 0.5000 0.2887 0.0627 ( 680 PWs) bands (ev): -2.9133 -2.9133 -1.0709 -1.0709 1.9307 1.9307 3.5038 3.5038 4.9105 4.9105 7.1118 7.1118 7.9486 7.9486 10.4270 10.4270 17.9910 17.9910 21.4124 21.4124 21.9824 21.9824 22.0987 22.0987 k = 0.5000 0.2887 0.0549 ( 680 PWs) bands (ev): -2.9290 -2.9290 -1.0860 -1.0860 2.0335 2.0335 3.5711 3.5711 4.7896 4.7896 7.0966 7.0966 7.8833 7.8833 10.4588 10.4588 17.9760 17.9760 21.4982 21.4982 22.0267 22.0267 22.0427 22.0427 k = 0.5000 0.2887 0.0471 ( 680 PWs) bands (ev): -2.9425 -2.9425 -1.0990 -1.0990 2.1311 2.1311 3.6315 3.6315 4.6765 4.6765 7.0835 7.0835 7.8242 7.8242 10.4866 10.4866 17.9631 17.9631 21.5783 21.5783 21.9921 21.9921 22.0656 22.0656 k = 0.5000 0.2887 0.0392 ( 676 PWs) bands (ev): -2.9541 -2.9541 -1.1101 -1.1101 2.2214 2.2214 3.6845 3.6845 4.5730 4.5730 7.0725 7.0725 7.7722 7.7722 10.5104 10.5104 17.9521 17.9521 21.6514 21.6514 21.9501 21.9501 22.0963 22.0963 k = 0.5000 0.2887 0.0314 ( 672 PWs) bands (ev): -2.9635 -2.9635 -1.1193 -1.1193 2.3020 2.3020 3.7292 3.7292 4.4816 4.4816 7.0634 7.0634 7.7283 7.7283 10.5303 10.5303 17.9432 17.9432 21.7155 21.7155 21.9157 21.9157 22.1200 22.1200 k = 0.5000 0.2887 0.0235 ( 672 PWs) bands (ev): -2.9708 -2.9708 -1.1264 -1.1264 2.3697 2.3697 3.7647 3.7647 4.4054 4.4054 7.0563 7.0563 7.6931 7.6931 10.5457 10.5457 17.9362 17.9362 21.7688 21.7688 21.8886 21.8886 22.1367 22.1367 k = 0.5000 0.2887 0.0157 ( 668 PWs) bands (ev): -2.9760 -2.9760 -1.1314 -1.1314 2.4215 2.4215 3.7905 3.7905 4.3475 4.3475 7.0514 7.0514 7.6675 7.6675 10.5567 10.5567 17.9312 17.9312 21.8093 21.8093 21.8692 21.8692 22.1474 22.1474 k = 0.5000 0.2887 0.0078 ( 668 PWs) bands (ev): -2.9791 -2.9791 -1.1345 -1.1345 2.4542 2.4542 3.8062 3.8062 4.3112 4.3112 7.0484 7.0484 7.6519 7.6519 10.5634 10.5634 17.9283 17.9283 21.8348 21.8348 21.8575 21.8575 22.1531 22.1531 k = 0.5000 0.2887-0.0000 ( 668 PWs) bands (ev): -2.9802 -2.9802 -1.1355 -1.1355 2.4654 2.4654 3.8115 3.8115 4.2988 4.2988 7.0473 7.0473 7.6466 7.6466 10.5656 10.5656 17.9273 17.9273 21.8435 21.8435 21.8536 21.8536 22.1548 22.1548 k = 0.3333 0.5774-0.0000 ( 699 PWs) bands (ev): -1.1132 -1.1132 -1.1121 -1.1121 2.4900 2.4900 4.0859 4.0859 4.0879 4.0879 6.3499 6.3499 6.3508 6.3508 6.7868 6.7868 17.0526 17.0526 25.7850 25.7850 25.7929 25.7929 25.8276 25.8277 k = 0.3333 0.5774 0.0078 ( 699 PWs) bands (ev): -1.1122 -1.1122 -1.1111 -1.1111 2.4911 2.4911 4.0777 4.0777 4.0798 4.0798 6.3587 6.3587 6.3596 6.3596 6.7837 6.7837 17.0580 17.0580 25.7773 25.7773 25.7837 25.7837 25.8249 25.8254 k = 0.3333 0.5774 0.0157 ( 699 PWs) bands (ev): -1.1093 -1.1093 -1.1082 -1.1082 2.4946 2.4946 4.0537 4.0537 4.0557 4.0557 6.3847 6.3847 6.3856 6.3856 6.7745 6.7745 17.0742 17.0742 25.7493 25.7493 25.7530 25.7530 25.8197 25.8197 k = 0.3333 0.5774 0.0235 ( 699 PWs) bands (ev): -1.1044 -1.1044 -1.1033 -1.1033 2.5003 2.5003 4.0148 4.0148 4.0168 4.0168 6.4268 6.4268 6.4278 6.4278 6.7592 6.7592 17.1011 17.1011 25.6975 25.6975 25.6995 25.6995 25.8173 25.8173 k = 0.3333 0.5774 0.0314 ( 699 PWs) bands (ev): -1.0975 -1.0975 -1.0964 -1.0964 2.5084 2.5084 3.9627 3.9627 3.9647 3.9647 6.4834 6.4834 6.4844 6.4844 6.7379 6.7379 17.1385 17.1385 25.6240 25.6240 25.6252 25.6252 25.8170 25.8172 k = 0.3333 0.5774 0.0392 ( 699 PWs) bands (ev): -1.0887 -1.0887 -1.0876 -1.0876 2.5187 2.5187 3.8992 3.8992 3.9012 3.9012 6.5527 6.5527 6.5537 6.5537 6.7108 6.7108 17.1864 17.1864 25.5317 25.5317 25.5325 25.5325 25.8177 25.8179 k = 0.3333 0.5774 0.0471 ( 699 PWs) bands (ev): -1.0780 -1.0780 -1.0768 -1.0768 2.5314 2.5314 3.8262 3.8262 3.8281 3.8281 6.6327 6.6327 6.6336 6.6336 6.6781 6.6781 17.2446 17.2446 25.4230 25.4230 25.4236 25.4236 25.8190 25.8191 k = 0.3333 0.5774 0.0549 ( 693 PWs) bands (ev): -1.0652 -1.0652 -1.0641 -1.0641 2.5463 2.5463 3.7454 3.7454 3.7473 3.7473 6.6398 6.6398 6.7217 6.7217 6.7228 6.7228 17.3128 17.3128 25.3002 25.3002 25.3007 25.3007 25.8208 25.8209 k = 0.3333 0.5774 0.0627 ( 693 PWs) bands (ev): -1.0506 -1.0506 -1.0495 -1.0495 2.5635 2.5635 3.6582 3.6582 3.6601 3.6601 6.5965 6.5965 6.8179 6.8179 6.8191 6.8191 17.3907 17.3907 25.1654 25.1654 25.1659 25.1659 25.8230 25.8231 k = 0.3333 0.5774 0.0706 ( 693 PWs) bands (ev): -1.0340 -1.0340 -1.0329 -1.0329 2.5831 2.5831 3.5661 3.5661 3.5679 3.5679 6.5482 6.5482 6.9200 6.9200 6.9211 6.9211 17.4781 17.4781 25.0207 25.0207 25.0211 25.0211 25.8255 25.8256 k = 0.3333 0.5774 0.0784 ( 693 PWs) bands (ev): -1.0155 -1.0155 -1.0144 -1.0144 2.6049 2.6049 3.4702 3.4702 3.4720 3.4720 6.4952 6.4952 7.0268 7.0268 7.0280 7.0280 17.5747 17.5747 24.8679 24.8679 24.8682 24.8682 25.8282 25.8284 k = 0.3333 0.5774 0.0863 ( 696 PWs) bands (ev): -0.9952 -0.9952 -0.9941 -0.9941 2.6289 2.6289 3.3714 3.3714 3.3732 3.3732 6.4379 6.4379 7.1373 7.1373 7.1385 7.1385 17.6802 17.6802 24.7082 24.7082 24.7085 24.7085 25.8312 25.8313 k = 0.3333 0.5774 0.0941 ( 696 PWs) bands (ev): -0.9730 -0.9730 -0.9719 -0.9719 2.6551 2.6551 3.2705 3.2705 3.2723 3.2723 6.3766 6.3766 7.2506 7.2506 7.2519 7.2519 17.7942 17.7942 24.5442 24.5442 24.5445 24.5445 25.8344 25.8347 k = 0.3333 0.5774 0.1019 ( 696 PWs) bands (ev): -0.9489 -0.9489 -0.9478 -0.9478 2.6836 2.6836 3.1681 3.1681 3.1698 3.1698 6.3115 6.3115 7.3659 7.3659 7.3672 7.3672 17.9164 17.9164 24.3767 24.3767 24.3770 24.3770 25.8379 25.8379 k = 0.3333 0.5774 0.1098 ( 687 PWs) bands (ev): -0.9230 -0.9230 -0.9219 -0.9219 2.7145 2.7145 3.0648 3.0648 3.0665 3.0665 6.2430 6.2430 7.4826 7.4826 7.4839 7.4839 18.0465 18.0465 24.2070 24.2070 24.2072 24.2072 25.8421 25.8424 k = 0.3333 0.5774 0.1176 ( 687 PWs) bands (ev): -0.8953 -0.8953 -0.8942 -0.8942 2.7474 2.7474 2.9609 2.9609 2.9626 2.9626 6.1714 6.1714 7.5999 7.5999 7.6013 7.6013 18.1842 18.1842 24.0361 24.0361 24.0363 24.0363 25.8459 25.8463 k = 0.3333 0.5774 0.1255 ( 687 PWs) bands (ev): -0.8658 -0.8658 -0.8647 -0.8647 2.7826 2.7826 2.8569 2.8569 2.8587 2.8587 6.0970 6.0970 7.7175 7.7175 7.7188 7.7188 18.3290 18.3290 23.8650 23.8650 23.8653 23.8653 25.8499 25.8500 k = 0.3333 0.5774 0.1333 ( 687 PWs) bands (ev): -0.8346 -0.8346 -0.8336 -0.8336 2.7532 2.7532 2.7549 2.7549 2.8199 2.8199 6.0200 6.0200 7.8347 7.8347 7.8360 7.8360 18.4808 18.4808 23.6947 23.6947 23.6949 23.6949 25.8541 25.8542 k = 0.3333 0.5774 0.1412 ( 687 PWs) bands (ev): -0.8018 -0.8018 -0.8007 -0.8007 2.6499 2.6499 2.6516 2.6516 2.8594 2.8594 5.9409 5.9409 7.9510 7.9510 7.9524 7.9524 18.6390 18.6390 23.5259 23.5259 23.5262 23.5262 25.8582 25.8584 k = 0.3333 0.5774 0.1490 ( 690 PWs) bands (ev): -0.7673 -0.7673 -0.7662 -0.7662 2.5473 2.5473 2.5491 2.5491 2.9011 2.9011 5.8597 5.8597 8.0661 8.0661 8.0675 8.0675 18.8036 18.8036 23.3594 23.3594 23.3597 23.3597 25.8624 25.8624 k = 0.3333 0.5774 0.1568 ( 690 PWs) bands (ev): -0.7312 -0.7312 -0.7301 -0.7301 2.4459 2.4459 2.4476 2.4476 2.9449 2.9449 5.7769 5.7769 8.1794 8.1794 8.1809 8.1809 18.9740 18.9740 23.1961 23.1961 23.1963 23.1963 25.8666 25.8667 k = 0.3333 0.5774 0.1647 ( 690 PWs) bands (ev): -0.6936 -0.6936 -0.6925 -0.6925 2.3456 2.3456 2.3473 2.3473 2.9908 2.9908 5.6926 5.6926 8.2906 8.2906 8.2921 8.2921 19.1501 19.1501 23.0364 23.0364 23.0366 23.0366 25.8709 25.8709 k = 0.3333 0.5774 0.1725 ( 690 PWs) bands (ev): -0.6546 -0.6546 -0.6535 -0.6535 2.2468 2.2468 2.2485 2.2485 3.0389 3.0389 5.6072 5.6072 8.3992 8.3992 8.4007 8.4007 19.3315 19.3315 22.8811 22.8811 22.8813 22.8813 25.8752 25.8752 k = 0.3333 0.5774 0.1804 ( 690 PWs) bands (ev): -0.6142 -0.6142 -0.6132 -0.6132 2.1496 2.1496 2.1513 2.1513 3.0890 3.0890 5.5207 5.5207 8.5048 8.5048 8.5063 8.5063 19.5180 19.5180 22.7307 22.7307 22.7309 22.7309 25.8794 25.8795 k = 0.3333 0.5774 0.1882 ( 690 PWs) bands (ev): -0.5727 -0.5727 -0.5716 -0.5716 2.0543 2.0543 2.0560 2.0560 3.1411 3.1411 5.4335 5.4335 8.6069 8.6069 8.6084 8.6084 19.7092 19.7092 22.5859 22.5859 22.5861 22.5861 25.8835 25.8835 k = 0.3333 0.5774 0.1960 ( 690 PWs) bands (ev): -0.5300 -0.5300 -0.5290 -0.5290 1.9611 1.9611 1.9628 1.9628 3.1953 3.1953 5.3458 5.3458 8.7051 8.7051 8.7066 8.7066 19.9050 19.9050 22.4472 22.4472 22.4473 22.4473 25.8875 25.8876 k = 0.3333 0.5774 0.2039 ( 690 PWs) bands (ev): -0.4865 -0.4865 -0.4855 -0.4855 1.8703 1.8703 1.8720 1.8720 3.2515 3.2515 5.2577 5.2577 8.7990 8.7990 8.8006 8.8006 20.1050 20.1050 22.3152 22.3152 22.3153 22.3153 25.8915 25.8916 k = 0.3333 0.5774 0.2117 ( 690 PWs) bands (ev): -0.4423 -0.4423 -0.4413 -0.4413 1.7820 1.7820 1.7837 1.7837 3.3097 3.3097 5.1694 5.1694 8.8882 8.8882 8.8897 8.8897 20.3090 20.3090 22.1903 22.1903 22.1905 22.1905 25.7332 25.7332 k = 0.3333 0.5774 0.2196 ( 678 PWs) bands (ev): -0.3977 -0.3977 -0.3967 -0.3967 1.6967 1.6967 1.6985 1.6985 3.3698 3.3698 5.0812 5.0812 8.9727 8.9727 8.9743 8.9743 20.5170 20.5170 22.0733 22.0733 22.0734 22.0734 25.5159 25.5159 k = 0.3333 0.5774 0.2274 ( 684 PWs) bands (ev): -0.3531 -0.3531 -0.3521 -0.3521 1.6147 1.6147 1.6164 1.6164 3.4318 3.4318 4.9930 4.9930 9.0510 9.0510 9.0525 9.0525 20.7283 20.7283 21.9641 21.9641 21.9643 21.9643 25.2946 25.2946 k = 0.3333 0.5774 0.2353 ( 684 PWs) bands (ev): -0.3087 -0.3087 -0.3077 -0.3077 1.5364 1.5364 1.5382 1.5382 3.4957 3.4957 4.9051 4.9051 9.1233 9.1233 9.1249 9.1249 20.9428 20.9428 21.8640 21.8640 21.8641 21.8641 25.0700 25.0700 k = 0.3333 0.5774 0.2431 ( 678 PWs) bands (ev): -0.2651 -0.2651 -0.2642 -0.2642 1.4625 1.4625 1.4643 1.4643 3.5614 3.5614 4.8177 4.8177 9.1896 9.1896 9.1911 9.1911 21.1603 21.1603 21.7732 21.7732 21.7734 21.7734 24.8428 24.8428 k = 0.3333 0.5774 0.2509 ( 678 PWs) bands (ev): -0.2230 -0.2230 -0.2221 -0.2221 1.3935 1.3935 1.3953 1.3953 3.6289 3.6289 4.7308 4.7308 9.2488 9.2488 9.2504 9.2504 21.3806 21.3806 21.6918 21.6918 21.6919 21.6919 24.6133 24.6133 k = 0.3333 0.5774 0.2588 ( 678 PWs) bands (ev): -0.1831 -0.1831 -0.1823 -0.1823 1.3302 1.3302 1.3321 1.3321 3.6982 3.6982 4.6446 4.6446 9.3008 9.3008 9.3025 9.3025 21.6034 21.6034 21.6204 21.6204 21.6206 21.6206 24.3821 24.3821 k = 0.3333 0.5774 0.2666 ( 678 PWs) bands (ev): -0.1464 -0.1464 -0.1455 -0.1455 1.2737 1.2737 1.2755 1.2755 3.7691 3.7691 4.5592 4.5592 9.3455 9.3455 9.3471 9.3471 21.5594 21.5594 21.5594 21.5594 21.8286 21.8286 24.1495 24.1495 k = 0.3333 0.5774 0.2745 ( 672 PWs) bands (ev): -0.1138 -0.1138 -0.1129 -0.1129 1.2249 1.2249 1.2267 1.2267 3.8419 3.8419 4.4747 4.4747 9.3826 9.3826 9.3842 9.3842 21.5090 21.5090 21.5090 21.5090 22.0560 22.0560 23.9162 23.9162 k = 0.3333 0.5774 0.2823 ( 666 PWs) bands (ev): -0.0865 -0.0865 -0.0857 -0.0857 1.1851 1.1851 1.1870 1.1870 3.9162 3.9162 4.3913 4.3913 9.4116 9.4116 9.4132 9.4132 21.4695 21.4695 21.4696 21.4696 22.2850 22.2850 23.6822 23.6822 k = 0.3333 0.5774 0.2901 ( 666 PWs) bands (ev): -0.0660 -0.0660 -0.0652 -0.0652 1.1555 1.1555 1.1574 1.1574 3.9920 3.9920 4.3089 4.3089 9.4324 9.4324 9.4341 9.4341 21.4412 21.4412 21.4413 21.4413 22.5156 22.5156 23.4480 23.4480 k = 0.3333 0.5774 0.2980 ( 666 PWs) bands (ev): -0.0532 -0.0532 -0.0524 -0.0524 1.1373 1.1373 1.1392 1.1392 4.0692 4.0692 4.2277 4.2277 9.4450 9.4450 9.4466 9.4466 21.4241 21.4241 21.4242 21.4242 22.7474 22.7474 23.2139 23.2139 k = 0.3333 0.5774 0.3058 ( 666 PWs) bands (ev): -0.0488 -0.0488 -0.0480 -0.0480 1.1311 1.1311 1.1330 1.1330 4.1472 4.1472 4.1483 4.1483 9.4492 9.4492 9.4508 9.4508 21.4184 21.4184 21.4185 21.4185 22.9778 22.9778 22.9828 22.9828 Writing output data file C.save init_run : 0.04s CPU 0.32s WALL ( 1 calls) electrons : 35.81s CPU 38.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 35.80s CPU 38.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 522 calls) cegterg : 32.86s CPU 33.65s WALL ( 563 calls) Called by sum_band: Called by *egterg: h_psi : 12.91s CPU 13.37s WALL ( 8027 calls) s_psi : 0.42s CPU 0.38s WALL ( 8027 calls) g_psi : 0.02s CPU 0.02s WALL ( 6942 calls) cdiaghg : 18.99s CPU 19.61s WALL ( 7464 calls) cegterg:over : 1.19s CPU 1.09s WALL ( 6942 calls) cegterg:upda : 0.70s CPU 0.74s WALL ( 6942 calls) cegterg:last : 0.34s CPU 0.37s WALL ( 1476 calls) cdiaghg:chol : 1.01s CPU 0.99s WALL ( 7464 calls) cdiaghg:inve : 0.30s CPU 0.34s WALL ( 7464 calls) cdiaghg:para : 1.22s CPU 1.27s WALL ( 14928 calls) Called by h_psi: h_psi:vloc : 11.69s CPU 12.07s WALL ( 8027 calls) h_psi:vnl : 1.20s CPU 1.27s WALL ( 8027 calls) add_vuspsi : 0.48s CPU 0.50s WALL ( 8027 calls) General routines calbec : 0.71s CPU 0.75s WALL ( 8027 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.06s CPU 11.36s WALL ( 466700 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.15s WALL ( 1044 calls) Parallel routines fft_scatter : 7.18s CPU 7.51s WALL ( 466723 calls) PWSCF : 0m43.03s CPU 1m 3.81s WALL This run was terminated on: 17:13:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=