Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 5:59 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: ./MgxAlCx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 18 5 1371 650 105 Max 30 19 6 1382 673 112 Sum 1069 661 199 49605 23729 3875 bravais-lattice index = 14 lattice parameter (alat) = 6.3816 a.u. unit-cell volume = 387.6933 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.381605 celldm(2)= 1.000000 celldm(3)= 1.722535 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 1.722535 ) 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 0.580540 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Al 3.00 26.98150 Al( 1.00) C 4.00 12.01070 C( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 391 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0025575 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0025575 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0025575 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0025575 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0025575 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0025575 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0025575 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0025575 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0025575 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0025575 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0025575 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0025575 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0025575 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0025575 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0025575 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0025575 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0025575 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0025575 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0025575 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0025575 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0025575 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0025575 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0025575 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0025575 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0025575 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0025575 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0025575 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0025575 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0025575 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0025575 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0025575 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0025575 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0025575 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0025575 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0025575 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0025575 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0025575 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0025575 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0025575 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0025575 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0025575 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0025575 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0025575 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0025575 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0025575 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0025575 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0025575 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0025575 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0025575 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0025575 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0025575 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0025575 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0025575 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025575 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025575 k( 57) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0025575 k( 58) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0025575 k( 59) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0025575 k( 60) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0025575 k( 61) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0025575 k( 62) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0025575 k( 63) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0025575 k( 64) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0025575 k( 65) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0025575 k( 66) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0025575 k( 67) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0025575 k( 68) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0025575 k( 69) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0025575 k( 70) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0025575 k( 71) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0025575 k( 72) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0025575 k( 73) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0025575 k( 74) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0025575 k( 75) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0025575 k( 76) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0025575 k( 77) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0025575 k( 78) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0025575 k( 79) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0025575 k( 80) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0025575 k( 81) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0025575 k( 82) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0025575 k( 83) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0025575 k( 84) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0025575 k( 85) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0025575 k( 86) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0025575 k( 87) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0025575 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025575 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025575 k( 90) = ( 0.3280423 0.5681860 -0.0000000), wk = 0.0025575 k( 91) = ( 0.3227513 0.5590217 -0.0000000), wk = 0.0025575 k( 92) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0025575 k( 93) = ( 0.3121693 0.5406931 -0.0000000), wk = 0.0025575 k( 94) = ( 0.3068783 0.5315288 -0.0000000), wk = 0.0025575 k( 95) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0025575 k( 96) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0025575 k( 97) = ( 0.2910053 0.5040359 -0.0000000), wk = 0.0025575 k( 98) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0025575 k( 99) = ( 0.2804233 0.4857074 -0.0000000), wk = 0.0025575 k( 100) = ( 0.2751323 0.4765431 -0.0000000), wk = 0.0025575 k( 101) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0025575 k( 102) = ( 0.2645503 0.4582145 -0.0000000), wk = 0.0025575 k( 103) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0025575 k( 104) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0025575 k( 105) = ( 0.2486772 0.4307216 -0.0000000), wk = 0.0025575 k( 106) = ( 0.2433862 0.4215573 -0.0000000), wk = 0.0025575 k( 107) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0025575 k( 108) = ( 0.2328042 0.4032288 -0.0000000), wk = 0.0025575 k( 109) = ( 0.2275132 0.3940645 -0.0000000), wk = 0.0025575 k( 110) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0025575 k( 111) = ( 0.2169312 0.3757359 -0.0000000), wk = 0.0025575 k( 112) = ( 0.2116402 0.3665716 -0.0000000), wk = 0.0025575 k( 113) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0025575 k( 114) = ( 0.2010582 0.3482430 -0.0000000), wk = 0.0025575 k( 115) = ( 0.1957672 0.3390787 -0.0000000), wk = 0.0025575 k( 116) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0025575 k( 117) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0025575 k( 118) = ( 0.1798942 0.3115859 -0.0000000), wk = 0.0025575 k( 119) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0025575 k( 120) = ( 0.1693122 0.2932573 -0.0000000), wk = 0.0025575 k( 121) = ( 0.1640212 0.2840930 -0.0000000), wk = 0.0025575 k( 122) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0025575 k( 123) = ( 0.1534391 0.2657644 -0.0000000), wk = 0.0025575 k( 124) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0025575 k( 125) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0025575 k( 126) = ( 0.1375661 0.2382715 -0.0000000), wk = 0.0025575 k( 127) = ( 0.1322751 0.2291072 -0.0000000), wk = 0.0025575 k( 128) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0025575 k( 129) = ( 0.1216931 0.2107787 -0.0000000), wk = 0.0025575 k( 130) = ( 0.1164021 0.2016144 -0.0000000), wk = 0.0025575 k( 131) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0025575 k( 132) = ( 0.1058201 0.1832858 -0.0000000), wk = 0.0025575 k( 133) = ( 0.1005291 0.1741215 -0.0000000), wk = 0.0025575 k( 134) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0025575 k( 135) = ( 0.0899471 0.1557929 -0.0000000), wk = 0.0025575 k( 136) = ( 0.0846561 0.1466286 -0.0000000), wk = 0.0025575 k( 137) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0025575 k( 138) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0025575 k( 139) = ( 0.0687831 0.1191358 -0.0000000), wk = 0.0025575 k( 140) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0025575 k( 141) = ( 0.0582011 0.1008072 -0.0000000), wk = 0.0025575 k( 142) = ( 0.0529101 0.0916429 -0.0000000), wk = 0.0025575 k( 143) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0025575 k( 144) = ( 0.0423280 0.0733143 -0.0000000), wk = 0.0025575 k( 145) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0025575 k( 146) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0025575 k( 147) = ( 0.0264550 0.0458215 -0.0000000), wk = 0.0025575 k( 148) = ( 0.0211640 0.0366572 -0.0000000), wk = 0.0025575 k( 149) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0025575 k( 150) = ( 0.0105820 0.0183286 -0.0000000), wk = 0.0025575 k( 151) = ( 0.0052910 0.0091643 -0.0000000), wk = 0.0025575 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 154) = ( 0.0000000 0.0000000 0.0103668), wk = 0.0025575 k( 155) = ( 0.0000000 0.0000000 0.0207336), wk = 0.0025575 k( 156) = ( 0.0000000 0.0000000 0.0311003), wk = 0.0025575 k( 157) = ( 0.0000000 0.0000000 0.0414671), wk = 0.0025575 k( 158) = ( 0.0000000 0.0000000 0.0518339), wk = 0.0025575 k( 159) = ( 0.0000000 0.0000000 0.0622007), wk = 0.0025575 k( 160) = ( 0.0000000 0.0000000 0.0725675), wk = 0.0025575 k( 161) = ( 0.0000000 0.0000000 0.0829343), wk = 0.0025575 k( 162) = ( 0.0000000 0.0000000 0.0933010), wk = 0.0025575 k( 163) = ( 0.0000000 0.0000000 0.1036678), wk = 0.0025575 k( 164) = ( 0.0000000 0.0000000 0.1140346), wk = 0.0025575 k( 165) = ( 0.0000000 0.0000000 0.1244014), wk = 0.0025575 k( 166) = ( 0.0000000 0.0000000 0.1347682), wk = 0.0025575 k( 167) = ( 0.0000000 0.0000000 0.1451349), wk = 0.0025575 k( 168) = ( 0.0000000 0.0000000 0.1555017), wk = 0.0025575 k( 169) = ( 0.0000000 0.0000000 0.1658685), wk = 0.0025575 k( 170) = ( 0.0000000 0.0000000 0.1762353), wk = 0.0025575 k( 171) = ( 0.0000000 0.0000000 0.1866021), wk = 0.0025575 k( 172) = ( 0.0000000 0.0000000 0.1969689), wk = 0.0025575 k( 173) = ( 0.0000000 0.0000000 0.2073356), wk = 0.0025575 k( 174) = ( 0.0000000 0.0000000 0.2177024), wk = 0.0025575 k( 175) = ( 0.0000000 0.0000000 0.2280692), wk = 0.0025575 k( 176) = ( 0.0000000 0.0000000 0.2384360), wk = 0.0025575 k( 177) = ( 0.0000000 0.0000000 0.2488028), wk = 0.0025575 k( 178) = ( 0.0000000 0.0000000 0.2591696), wk = 0.0025575 k( 179) = ( 0.0000000 0.0000000 0.2695363), wk = 0.0025575 k( 180) = ( 0.0000000 0.0000000 0.2799031), wk = 0.0025575 k( 181) = ( 0.0000000 0.0000000 0.2902699), wk = 0.0025575 k( 182) = ( 0.0000000 0.0000000 0.2902699), wk = 0.0025575 k( 183) = ( 0.0092593 0.0053458 0.2902699), wk = 0.0025575 k( 184) = ( 0.0185185 0.0106917 0.2902699), wk = 0.0025575 k( 185) = ( 0.0277778 0.0160375 0.2902699), wk = 0.0025575 k( 186) = ( 0.0370370 0.0213833 0.2902699), wk = 0.0025575 k( 187) = ( 0.0462963 0.0267292 0.2902699), wk = 0.0025575 k( 188) = ( 0.0555556 0.0320750 0.2902699), wk = 0.0025575 k( 189) = ( 0.0648148 0.0374208 0.2902699), wk = 0.0025575 k( 190) = ( 0.0740741 0.0427667 0.2902699), wk = 0.0025575 k( 191) = ( 0.0833333 0.0481125 0.2902699), wk = 0.0025575 k( 192) = ( 0.0925926 0.0534584 0.2902699), wk = 0.0025575 k( 193) = ( 0.1018518 0.0588042 0.2902699), wk = 0.0025575 k( 194) = ( 0.1111111 0.0641500 0.2902699), wk = 0.0025575 k( 195) = ( 0.1203704 0.0694959 0.2902699), wk = 0.0025575 k( 196) = ( 0.1296296 0.0748417 0.2902699), wk = 0.0025575 k( 197) = ( 0.1388889 0.0801875 0.2902699), wk = 0.0025575 k( 198) = ( 0.1481482 0.0855334 0.2902699), wk = 0.0025575 k( 199) = ( 0.1574074 0.0908792 0.2902699), wk = 0.0025575 k( 200) = ( 0.1666667 0.0962250 0.2902699), wk = 0.0025575 k( 201) = ( 0.1759259 0.1015709 0.2902699), wk = 0.0025575 k( 202) = ( 0.1851852 0.1069167 0.2902699), wk = 0.0025575 k( 203) = ( 0.1944444 0.1122625 0.2902699), wk = 0.0025575 k( 204) = ( 0.2037037 0.1176084 0.2902699), wk = 0.0025575 k( 205) = ( 0.2129630 0.1229542 0.2902699), wk = 0.0025575 k( 206) = ( 0.2222222 0.1283001 0.2902699), wk = 0.0025575 k( 207) = ( 0.2314815 0.1336459 0.2902699), wk = 0.0025575 k( 208) = ( 0.2407407 0.1389917 0.2902699), wk = 0.0025575 k( 209) = ( 0.2500000 0.1443376 0.2902699), wk = 0.0025575 k( 210) = ( 0.2592593 0.1496834 0.2902699), wk = 0.0025575 k( 211) = ( 0.2685185 0.1550292 0.2902699), wk = 0.0025575 k( 212) = ( 0.2777778 0.1603751 0.2902699), wk = 0.0025575 k( 213) = ( 0.2870370 0.1657209 0.2902699), wk = 0.0025575 k( 214) = ( 0.2962963 0.1710667 0.2902699), wk = 0.0025575 k( 215) = ( 0.3055556 0.1764126 0.2902699), wk = 0.0025575 k( 216) = ( 0.3148148 0.1817584 0.2902699), wk = 0.0025575 k( 217) = ( 0.3240741 0.1871043 0.2902699), wk = 0.0025575 k( 218) = ( 0.3333333 0.1924501 0.2902699), wk = 0.0025575 k( 219) = ( 0.3425926 0.1977959 0.2902699), wk = 0.0025575 k( 220) = ( 0.3518519 0.2031418 0.2902699), wk = 0.0025575 k( 221) = ( 0.3611111 0.2084876 0.2902699), wk = 0.0025575 k( 222) = ( 0.3703704 0.2138334 0.2902699), wk = 0.0025575 k( 223) = ( 0.3796296 0.2191793 0.2902699), wk = 0.0025575 k( 224) = ( 0.3888889 0.2245251 0.2902699), wk = 0.0025575 k( 225) = ( 0.3981481 0.2298709 0.2902699), wk = 0.0025575 k( 226) = ( 0.4074074 0.2352168 0.2902699), wk = 0.0025575 k( 227) = ( 0.4166667 0.2405626 0.2902699), wk = 0.0025575 k( 228) = ( 0.4259259 0.2459085 0.2902699), wk = 0.0025575 k( 229) = ( 0.4351852 0.2512543 0.2902699), wk = 0.0025575 k( 230) = ( 0.4444444 0.2566001 0.2902699), wk = 0.0025575 k( 231) = ( 0.4537037 0.2619460 0.2902699), wk = 0.0025575 k( 232) = ( 0.4629630 0.2672918 0.2902699), wk = 0.0025575 k( 233) = ( 0.4722222 0.2726376 0.2902699), wk = 0.0025575 k( 234) = ( 0.4814815 0.2779835 0.2902699), wk = 0.0025575 k( 235) = ( 0.4907407 0.2833293 0.2902699), wk = 0.0025575 k( 236) = ( 0.5000000 0.2886751 0.2902699), wk = 0.0025575 k( 237) = ( 0.5000000 0.2886751 0.2902699), wk = 0.0025575 k( 238) = ( 0.4947917 0.2976962 0.2902699), wk = 0.0025575 k( 239) = ( 0.4895833 0.3067173 0.2902699), wk = 0.0025575 k( 240) = ( 0.4843750 0.3157384 0.2902699), wk = 0.0025575 k( 241) = ( 0.4791667 0.3247595 0.2902699), wk = 0.0025575 k( 242) = ( 0.4739583 0.3337806 0.2902699), wk = 0.0025575 k( 243) = ( 0.4687500 0.3428017 0.2902699), wk = 0.0025575 k( 244) = ( 0.4635417 0.3518228 0.2902699), wk = 0.0025575 k( 245) = ( 0.4583333 0.3608439 0.2902699), wk = 0.0025575 k( 246) = ( 0.4531250 0.3698650 0.2902699), wk = 0.0025575 k( 247) = ( 0.4479167 0.3788861 0.2902699), wk = 0.0025575 k( 248) = ( 0.4427083 0.3879072 0.2902699), wk = 0.0025575 k( 249) = ( 0.4375000 0.3969283 0.2902699), wk = 0.0025575 k( 250) = ( 0.4322917 0.4059494 0.2902699), wk = 0.0025575 k( 251) = ( 0.4270833 0.4149705 0.2902699), wk = 0.0025575 k( 252) = ( 0.4218750 0.4239916 0.2902699), wk = 0.0025575 k( 253) = ( 0.4166667 0.4330127 0.2902699), wk = 0.0025575 k( 254) = ( 0.4114583 0.4420338 0.2902699), wk = 0.0025575 k( 255) = ( 0.4062500 0.4510549 0.2902699), wk = 0.0025575 k( 256) = ( 0.4010417 0.4600760 0.2902699), wk = 0.0025575 k( 257) = ( 0.3958333 0.4690971 0.2902699), wk = 0.0025575 k( 258) = ( 0.3906250 0.4781182 0.2902699), wk = 0.0025575 k( 259) = ( 0.3854167 0.4871393 0.2902699), wk = 0.0025575 k( 260) = ( 0.3802083 0.4961604 0.2902699), wk = 0.0025575 k( 261) = ( 0.3750000 0.5051815 0.2902699), wk = 0.0025575 k( 262) = ( 0.3697917 0.5142026 0.2902699), wk = 0.0025575 k( 263) = ( 0.3645833 0.5232237 0.2902699), wk = 0.0025575 k( 264) = ( 0.3593750 0.5322448 0.2902699), wk = 0.0025575 k( 265) = ( 0.3541667 0.5412659 0.2902699), wk = 0.0025575 k( 266) = ( 0.3489583 0.5502870 0.2902699), wk = 0.0025575 k( 267) = ( 0.3437500 0.5593081 0.2902699), wk = 0.0025575 k( 268) = ( 0.3385417 0.5683292 0.2902699), wk = 0.0025575 k( 269) = ( 0.3333333 0.5773503 0.2902699), wk = 0.0025575 k( 270) = ( 0.3333333 0.5773503 0.2902699), wk = 0.0025575 k( 271) = ( 0.3280423 0.5681860 0.2902699), wk = 0.0025575 k( 272) = ( 0.3227513 0.5590217 0.2902699), wk = 0.0025575 k( 273) = ( 0.3174603 0.5498574 0.2902699), wk = 0.0025575 k( 274) = ( 0.3121693 0.5406931 0.2902699), wk = 0.0025575 k( 275) = ( 0.3068783 0.5315288 0.2902699), wk = 0.0025575 k( 276) = ( 0.3015873 0.5223645 0.2902699), wk = 0.0025575 k( 277) = ( 0.2962963 0.5132002 0.2902699), wk = 0.0025575 k( 278) = ( 0.2910053 0.5040359 0.2902699), wk = 0.0025575 k( 279) = ( 0.2857143 0.4948717 0.2902699), wk = 0.0025575 k( 280) = ( 0.2804233 0.4857074 0.2902699), wk = 0.0025575 k( 281) = ( 0.2751323 0.4765431 0.2902699), wk = 0.0025575 k( 282) = ( 0.2698413 0.4673788 0.2902699), wk = 0.0025575 k( 283) = ( 0.2645503 0.4582145 0.2902699), wk = 0.0025575 k( 284) = ( 0.2592593 0.4490502 0.2902699), wk = 0.0025575 k( 285) = ( 0.2539683 0.4398859 0.2902699), wk = 0.0025575 k( 286) = ( 0.2486772 0.4307216 0.2902699), wk = 0.0025575 k( 287) = ( 0.2433862 0.4215573 0.2902699), wk = 0.0025575 k( 288) = ( 0.2380952 0.4123931 0.2902699), wk = 0.0025575 k( 289) = ( 0.2328042 0.4032288 0.2902699), wk = 0.0025575 k( 290) = ( 0.2275132 0.3940645 0.2902699), wk = 0.0025575 k( 291) = ( 0.2222222 0.3849002 0.2902699), wk = 0.0025575 k( 292) = ( 0.2169312 0.3757359 0.2902699), wk = 0.0025575 k( 293) = ( 0.2116402 0.3665716 0.2902699), wk = 0.0025575 k( 294) = ( 0.2063492 0.3574073 0.2902699), wk = 0.0025575 k( 295) = ( 0.2010582 0.3482430 0.2902699), wk = 0.0025575 k( 296) = ( 0.1957672 0.3390787 0.2902699), wk = 0.0025575 k( 297) = ( 0.1904762 0.3299144 0.2902699), wk = 0.0025575 k( 298) = ( 0.1851852 0.3207502 0.2902699), wk = 0.0025575 k( 299) = ( 0.1798942 0.3115859 0.2902699), wk = 0.0025575 k( 300) = ( 0.1746032 0.3024216 0.2902699), wk = 0.0025575 k( 301) = ( 0.1693122 0.2932573 0.2902699), wk = 0.0025575 k( 302) = ( 0.1640212 0.2840930 0.2902699), wk = 0.0025575 k( 303) = ( 0.1587302 0.2749287 0.2902699), wk = 0.0025575 k( 304) = ( 0.1534391 0.2657644 0.2902699), wk = 0.0025575 k( 305) = ( 0.1481482 0.2566001 0.2902699), wk = 0.0025575 k( 306) = ( 0.1428571 0.2474358 0.2902699), wk = 0.0025575 k( 307) = ( 0.1375661 0.2382715 0.2902699), wk = 0.0025575 k( 308) = ( 0.1322751 0.2291072 0.2902699), wk = 0.0025575 k( 309) = ( 0.1269841 0.2199430 0.2902699), wk = 0.0025575 k( 310) = ( 0.1216931 0.2107787 0.2902699), wk = 0.0025575 k( 311) = ( 0.1164021 0.2016144 0.2902699), wk = 0.0025575 k( 312) = ( 0.1111111 0.1924501 0.2902699), wk = 0.0025575 k( 313) = ( 0.1058201 0.1832858 0.2902699), wk = 0.0025575 k( 314) = ( 0.1005291 0.1741215 0.2902699), wk = 0.0025575 k( 315) = ( 0.0952381 0.1649572 0.2902699), wk = 0.0025575 k( 316) = ( 0.0899471 0.1557929 0.2902699), wk = 0.0025575 k( 317) = ( 0.0846561 0.1466286 0.2902699), wk = 0.0025575 k( 318) = ( 0.0793651 0.1374644 0.2902699), wk = 0.0025575 k( 319) = ( 0.0740741 0.1283001 0.2902699), wk = 0.0025575 k( 320) = ( 0.0687831 0.1191358 0.2902699), wk = 0.0025575 k( 321) = ( 0.0634921 0.1099715 0.2902699), wk = 0.0025575 k( 322) = ( 0.0582011 0.1008072 0.2902699), wk = 0.0025575 k( 323) = ( 0.0529101 0.0916429 0.2902699), wk = 0.0025575 k( 324) = ( 0.0476191 0.0824786 0.2902699), wk = 0.0025575 k( 325) = ( 0.0423280 0.0733143 0.2902699), wk = 0.0025575 k( 326) = ( 0.0370370 0.0641500 0.2902699), wk = 0.0025575 k( 327) = ( 0.0317460 0.0549857 0.2902699), wk = 0.0025575 k( 328) = ( 0.0264550 0.0458215 0.2902699), wk = 0.0025575 k( 329) = ( 0.0211640 0.0366572 0.2902699), wk = 0.0025575 k( 330) = ( 0.0158730 0.0274929 0.2902699), wk = 0.0025575 k( 331) = ( 0.0105820 0.0183286 0.2902699), wk = 0.0025575 k( 332) = ( 0.0052910 0.0091643 0.2902699), wk = 0.0025575 k( 333) = ( 0.0000000 0.0000000 0.2902699), wk = 0.0025575 k( 334) = ( 0.5000000 0.2886751 0.2902699), wk = 0.0025575 k( 335) = ( 0.5000000 0.2886751 0.2799031), wk = 0.0025575 k( 336) = ( 0.5000000 0.2886751 0.2695363), wk = 0.0025575 k( 337) = ( 0.5000000 0.2886751 0.2591696), wk = 0.0025575 k( 338) = ( 0.5000000 0.2886751 0.2488028), wk = 0.0025575 k( 339) = ( 0.5000000 0.2886751 0.2384360), wk = 0.0025575 k( 340) = ( 0.5000000 0.2886751 0.2280692), wk = 0.0025575 k( 341) = ( 0.5000000 0.2886751 0.2177024), wk = 0.0025575 k( 342) = ( 0.5000000 0.2886751 0.2073356), wk = 0.0025575 k( 343) = ( 0.5000000 0.2886751 0.1969689), wk = 0.0025575 k( 344) = ( 0.5000000 0.2886751 0.1866021), wk = 0.0025575 k( 345) = ( 0.5000000 0.2886751 0.1762353), wk = 0.0025575 k( 346) = ( 0.5000000 0.2886751 0.1658685), wk = 0.0025575 k( 347) = ( 0.5000000 0.2886751 0.1555017), wk = 0.0025575 k( 348) = ( 0.5000000 0.2886751 0.1451349), wk = 0.0025575 k( 349) = ( 0.5000000 0.2886751 0.1347682), wk = 0.0025575 k( 350) = ( 0.5000000 0.2886751 0.1244014), wk = 0.0025575 k( 351) = ( 0.5000000 0.2886751 0.1140346), wk = 0.0025575 k( 352) = ( 0.5000000 0.2886751 0.1036678), wk = 0.0025575 k( 353) = ( 0.5000000 0.2886751 0.0933010), wk = 0.0025575 k( 354) = ( 0.5000000 0.2886751 0.0829343), wk = 0.0025575 k( 355) = ( 0.5000000 0.2886751 0.0725675), wk = 0.0025575 k( 356) = ( 0.5000000 0.2886751 0.0622007), wk = 0.0025575 k( 357) = ( 0.5000000 0.2886751 0.0518339), wk = 0.0025575 k( 358) = ( 0.5000000 0.2886751 0.0414671), wk = 0.0025575 k( 359) = ( 0.5000000 0.2886751 0.0311003), wk = 0.0025575 k( 360) = ( 0.5000000 0.2886751 0.0207336), wk = 0.0025575 k( 361) = ( 0.5000000 0.2886751 0.0103668), wk = 0.0025575 k( 362) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025575 k( 363) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025575 k( 364) = ( 0.3333333 0.5773503 0.0103668), wk = 0.0025575 k( 365) = ( 0.3333333 0.5773503 0.0207336), wk = 0.0025575 k( 366) = ( 0.3333333 0.5773503 0.0311003), wk = 0.0025575 k( 367) = ( 0.3333333 0.5773503 0.0414671), wk = 0.0025575 k( 368) = ( 0.3333333 0.5773503 0.0518339), wk = 0.0025575 k( 369) = ( 0.3333333 0.5773503 0.0622007), wk = 0.0025575 k( 370) = ( 0.3333333 0.5773503 0.0725675), wk = 0.0025575 k( 371) = ( 0.3333333 0.5773503 0.0829343), wk = 0.0025575 k( 372) = ( 0.3333333 0.5773503 0.0933010), wk = 0.0025575 k( 373) = ( 0.3333333 0.5773503 0.1036678), wk = 0.0025575 k( 374) = ( 0.3333333 0.5773503 0.1140346), wk = 0.0025575 k( 375) = ( 0.3333333 0.5773503 0.1244014), wk = 0.0025575 k( 376) = ( 0.3333333 0.5773503 0.1347682), wk = 0.0025575 k( 377) = ( 0.3333333 0.5773503 0.1451349), wk = 0.0025575 k( 378) = ( 0.3333333 0.5773503 0.1555017), wk = 0.0025575 k( 379) = ( 0.3333333 0.5773503 0.1658685), wk = 0.0025575 k( 380) = ( 0.3333333 0.5773503 0.1762353), wk = 0.0025575 k( 381) = ( 0.3333333 0.5773503 0.1866021), wk = 0.0025575 k( 382) = ( 0.3333333 0.5773503 0.1969689), wk = 0.0025575 k( 383) = ( 0.3333333 0.5773503 0.2073356), wk = 0.0025575 k( 384) = ( 0.3333333 0.5773503 0.2177024), wk = 0.0025575 k( 385) = ( 0.3333333 0.5773503 0.2280692), wk = 0.0025575 k( 386) = ( 0.3333333 0.5773503 0.2384360), wk = 0.0025575 k( 387) = ( 0.3333333 0.5773503 0.2488028), wk = 0.0025575 k( 388) = ( 0.3333333 0.5773503 0.2591696), wk = 0.0025575 k( 389) = ( 0.3333333 0.5773503 0.2695363), wk = 0.0025575 k( 390) = ( 0.3333333 0.5773503 0.2799031), wk = 0.0025575 k( 391) = ( 0.3333333 0.5773503 0.2902699), wk = 0.0025575 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 2) = ( 0.0092593 -0.0000000 0.0000000), wk = 0.0025575 k( 3) = ( 0.0185185 -0.0000000 0.0000000), wk = 0.0025575 k( 4) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0025575 k( 5) = ( 0.0370370 -0.0000000 0.0000000), wk = 0.0025575 k( 6) = ( 0.0462963 -0.0000000 0.0000000), wk = 0.0025575 k( 7) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0025575 k( 8) = ( 0.0648148 -0.0000000 0.0000000), wk = 0.0025575 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0025575 k( 10) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0025575 k( 11) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0025575 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0025575 k( 13) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0025575 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0025575 k( 15) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0025575 k( 16) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0025575 k( 17) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0025575 k( 18) = ( 0.1574074 -0.0000000 0.0000000), wk = 0.0025575 k( 19) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0025575 k( 20) = ( 0.1759259 -0.0000000 0.0000000), wk = 0.0025575 k( 21) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0025575 k( 22) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0025575 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0025575 k( 24) = ( 0.2129630 -0.0000000 0.0000000), wk = 0.0025575 k( 25) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0025575 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0025575 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0025575 k( 28) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0025575 k( 29) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0025575 k( 30) = ( 0.2685185 -0.0000000 0.0000000), wk = 0.0025575 k( 31) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0025575 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0025575 k( 33) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0025575 k( 34) = ( 0.3055556 0.0000000 0.0000000), wk = 0.0025575 k( 35) = ( 0.3148148 0.0000000 0.0000000), wk = 0.0025575 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0025575 k( 37) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0025575 k( 38) = ( 0.3425926 -0.0000000 0.0000000), wk = 0.0025575 k( 39) = ( 0.3518519 -0.0000000 0.0000000), wk = 0.0025575 k( 40) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0025575 k( 41) = ( 0.3703704 -0.0000000 0.0000000), wk = 0.0025575 k( 42) = ( 0.3796296 -0.0000000 0.0000000), wk = 0.0025575 k( 43) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0025575 k( 44) = ( 0.3981481 -0.0000000 0.0000000), wk = 0.0025575 k( 45) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0025575 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0025575 k( 47) = ( 0.4259259 -0.0000000 0.0000000), wk = 0.0025575 k( 48) = ( 0.4351852 0.0000000 0.0000000), wk = 0.0025575 k( 49) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0025575 k( 50) = ( 0.4537037 -0.0000000 0.0000000), wk = 0.0025575 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0025575 k( 52) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0025575 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0025575 k( 54) = ( 0.4907407 -0.0000000 -0.0000000), wk = 0.0025575 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025575 k( 56) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025575 k( 57) = ( 0.4947917 0.0104167 -0.0000000), wk = 0.0025575 k( 58) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0025575 k( 59) = ( 0.4843750 0.0312500 0.0000000), wk = 0.0025575 k( 60) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0025575 k( 61) = ( 0.4739583 0.0520833 -0.0000000), wk = 0.0025575 k( 62) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0025575 k( 63) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0025575 k( 64) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0025575 k( 65) = ( 0.4531250 0.0937500 0.0000000), wk = 0.0025575 k( 66) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0025575 k( 67) = ( 0.4427083 0.1145833 -0.0000000), wk = 0.0025575 k( 68) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0025575 k( 69) = ( 0.4322917 0.1354167 0.0000000), wk = 0.0025575 k( 70) = ( 0.4270833 0.1458333 -0.0000000), wk = 0.0025575 k( 71) = ( 0.4218750 0.1562500 0.0000000), wk = 0.0025575 k( 72) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0025575 k( 73) = ( 0.4114583 0.1770833 -0.0000000), wk = 0.0025575 k( 74) = ( 0.4062500 0.1875000 0.0000000), wk = 0.0025575 k( 75) = ( 0.4010417 0.1979167 -0.0000000), wk = 0.0025575 k( 76) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0025575 k( 77) = ( 0.3906250 0.2187500 -0.0000000), wk = 0.0025575 k( 78) = ( 0.3854167 0.2291667 0.0000000), wk = 0.0025575 k( 79) = ( 0.3802083 0.2395833 -0.0000000), wk = 0.0025575 k( 80) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0025575 k( 81) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0025575 k( 82) = ( 0.3645833 0.2708333 -0.0000000), wk = 0.0025575 k( 83) = ( 0.3593750 0.2812500 -0.0000000), wk = 0.0025575 k( 84) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0025575 k( 85) = ( 0.3489583 0.3020833 -0.0000000), wk = 0.0025575 k( 86) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0025575 k( 87) = ( 0.3385417 0.3229167 0.0000000), wk = 0.0025575 k( 88) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025575 k( 89) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025575 k( 90) = ( 0.3280423 0.3280423 0.0000000), wk = 0.0025575 k( 91) = ( 0.3227513 0.3227513 -0.0000000), wk = 0.0025575 k( 92) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0025575 k( 93) = ( 0.3121693 0.3121693 -0.0000000), wk = 0.0025575 k( 94) = ( 0.3068783 0.3068783 -0.0000000), wk = 0.0025575 k( 95) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0025575 k( 96) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0025575 k( 97) = ( 0.2910053 0.2910053 0.0000000), wk = 0.0025575 k( 98) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0025575 k( 99) = ( 0.2804233 0.2804233 -0.0000000), wk = 0.0025575 k( 100) = ( 0.2751323 0.2751323 -0.0000000), wk = 0.0025575 k( 101) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0025575 k( 102) = ( 0.2645503 0.2645503 -0.0000000), wk = 0.0025575 k( 103) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0025575 k( 104) = ( 0.2539683 0.2539682 -0.0000000), wk = 0.0025575 k( 105) = ( 0.2486772 0.2486772 0.0000000), wk = 0.0025575 k( 106) = ( 0.2433862 0.2433862 -0.0000000), wk = 0.0025575 k( 107) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0025575 k( 108) = ( 0.2328042 0.2328042 0.0000000), wk = 0.0025575 k( 109) = ( 0.2275132 0.2275132 0.0000000), wk = 0.0025575 k( 110) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0025575 k( 111) = ( 0.2169312 0.2169312 -0.0000000), wk = 0.0025575 k( 112) = ( 0.2116402 0.2116402 -0.0000000), wk = 0.0025575 k( 113) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0025575 k( 114) = ( 0.2010582 0.2010582 0.0000000), wk = 0.0025575 k( 115) = ( 0.1957672 0.1957672 -0.0000000), wk = 0.0025575 k( 116) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0025575 k( 117) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0025575 k( 118) = ( 0.1798942 0.1798942 -0.0000000), wk = 0.0025575 k( 119) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0025575 k( 120) = ( 0.1693122 0.1693122 -0.0000000), wk = 0.0025575 k( 121) = ( 0.1640212 0.1640212 -0.0000000), wk = 0.0025575 k( 122) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0025575 k( 123) = ( 0.1534391 0.1534391 0.0000000), wk = 0.0025575 k( 124) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0025575 k( 125) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0025575 k( 126) = ( 0.1375661 0.1375661 -0.0000000), wk = 0.0025575 k( 127) = ( 0.1322751 0.1322751 -0.0000000), wk = 0.0025575 k( 128) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0025575 k( 129) = ( 0.1216931 0.1216931 -0.0000000), wk = 0.0025575 k( 130) = ( 0.1164021 0.1164021 0.0000000), wk = 0.0025575 k( 131) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0025575 k( 132) = ( 0.1058201 0.1058201 -0.0000000), wk = 0.0025575 k( 133) = ( 0.1005291 0.1005291 0.0000000), wk = 0.0025575 k( 134) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0025575 k( 135) = ( 0.0899471 0.0899471 -0.0000000), wk = 0.0025575 k( 136) = ( 0.0846561 0.0846561 -0.0000000), wk = 0.0025575 k( 137) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0025575 k( 138) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0025575 k( 139) = ( 0.0687831 0.0687831 -0.0000000), wk = 0.0025575 k( 140) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0025575 k( 141) = ( 0.0582011 0.0582011 0.0000000), wk = 0.0025575 k( 142) = ( 0.0529101 0.0529100 -0.0000000), wk = 0.0025575 k( 143) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0025575 k( 144) = ( 0.0423280 0.0423280 -0.0000000), wk = 0.0025575 k( 145) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0025575 k( 146) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0025575 k( 147) = ( 0.0264550 0.0264550 -0.0000000), wk = 0.0025575 k( 148) = ( 0.0211640 0.0211640 -0.0000000), wk = 0.0025575 k( 149) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0025575 k( 150) = ( 0.0105820 0.0105820 -0.0000000), wk = 0.0025575 k( 151) = ( 0.0052910 0.0052910 0.0000000), wk = 0.0025575 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025575 k( 154) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0025575 k( 155) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025575 k( 156) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0025575 k( 157) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025575 k( 158) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0025575 k( 159) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025575 k( 160) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025575 k( 161) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025575 k( 162) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0025575 k( 163) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025575 k( 164) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0025575 k( 165) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025575 k( 166) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0025575 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025575 k( 168) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0025575 k( 169) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025575 k( 170) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0025575 k( 171) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025575 k( 172) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0025575 k( 173) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025575 k( 174) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025575 k( 175) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025575 k( 176) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0025575 k( 177) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025575 k( 178) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0025575 k( 179) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025575 k( 180) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0025575 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025575 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025575 k( 183) = ( 0.0092593 -0.0000000 0.5000000), wk = 0.0025575 k( 184) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0025575 k( 185) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0025575 k( 186) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0025575 k( 187) = ( 0.0462963 -0.0000000 0.5000000), wk = 0.0025575 k( 188) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0025575 k( 189) = ( 0.0648148 -0.0000000 0.5000000), wk = 0.0025575 k( 190) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0025575 k( 191) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0025575 k( 192) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0025575 k( 193) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0025575 k( 194) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0025575 k( 195) = ( 0.1203704 -0.0000000 0.5000000), wk = 0.0025575 k( 196) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0025575 k( 197) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0025575 k( 198) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0025575 k( 199) = ( 0.1574074 -0.0000000 0.5000000), wk = 0.0025575 k( 200) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0025575 k( 201) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0025575 k( 202) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0025575 k( 203) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0025575 k( 204) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0025575 k( 205) = ( 0.2129630 -0.0000000 0.5000000), wk = 0.0025575 k( 206) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0025575 k( 207) = ( 0.2314815 -0.0000000 0.5000000), wk = 0.0025575 k( 208) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0025575 k( 209) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0025575 k( 210) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0025575 k( 211) = ( 0.2685185 -0.0000000 0.5000000), wk = 0.0025575 k( 212) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0025575 k( 213) = ( 0.2870370 -0.0000000 0.5000000), wk = 0.0025575 k( 214) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0025575 k( 215) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0025575 k( 216) = ( 0.3148148 0.0000000 0.5000000), wk = 0.0025575 k( 217) = ( 0.3240741 -0.0000000 0.5000000), wk = 0.0025575 k( 218) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0025575 k( 219) = ( 0.3425926 -0.0000000 0.5000000), wk = 0.0025575 k( 220) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0025575 k( 221) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0025575 k( 222) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0025575 k( 223) = ( 0.3796296 -0.0000000 0.5000000), wk = 0.0025575 k( 224) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0025575 k( 225) = ( 0.3981481 -0.0000000 0.5000000), wk = 0.0025575 k( 226) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0025575 k( 227) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0025575 k( 228) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0025575 k( 229) = ( 0.4351852 0.0000000 0.5000000), wk = 0.0025575 k( 230) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0025575 k( 231) = ( 0.4537037 -0.0000000 0.5000000), wk = 0.0025575 k( 232) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0025575 k( 233) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0025575 k( 234) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0025575 k( 235) = ( 0.4907407 -0.0000000 0.5000000), wk = 0.0025575 k( 236) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025575 k( 237) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025575 k( 238) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0025575 k( 239) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0025575 k( 240) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0025575 k( 241) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0025575 k( 242) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0025575 k( 243) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0025575 k( 244) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0025575 k( 245) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0025575 k( 246) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0025575 k( 247) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0025575 k( 248) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0025575 k( 249) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0025575 k( 250) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0025575 k( 251) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0025575 k( 252) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0025575 k( 253) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0025575 k( 254) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0025575 k( 255) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0025575 k( 256) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0025575 k( 257) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0025575 k( 258) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0025575 k( 259) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0025575 k( 260) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0025575 k( 261) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0025575 k( 262) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0025575 k( 263) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0025575 k( 264) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0025575 k( 265) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0025575 k( 266) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0025575 k( 267) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0025575 k( 268) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0025575 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025575 k( 270) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025575 k( 271) = ( 0.3280423 0.3280423 0.5000000), wk = 0.0025575 k( 272) = ( 0.3227513 0.3227513 0.5000000), wk = 0.0025575 k( 273) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0025575 k( 274) = ( 0.3121693 0.3121693 0.5000000), wk = 0.0025575 k( 275) = ( 0.3068783 0.3068783 0.5000000), wk = 0.0025575 k( 276) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0025575 k( 277) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0025575 k( 278) = ( 0.2910053 0.2910053 0.5000000), wk = 0.0025575 k( 279) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0025575 k( 280) = ( 0.2804233 0.2804233 0.5000000), wk = 0.0025575 k( 281) = ( 0.2751323 0.2751323 0.5000000), wk = 0.0025575 k( 282) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0025575 k( 283) = ( 0.2645503 0.2645503 0.5000000), wk = 0.0025575 k( 284) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0025575 k( 285) = ( 0.2539683 0.2539682 0.5000000), wk = 0.0025575 k( 286) = ( 0.2486772 0.2486772 0.5000000), wk = 0.0025575 k( 287) = ( 0.2433862 0.2433862 0.5000000), wk = 0.0025575 k( 288) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0025575 k( 289) = ( 0.2328042 0.2328042 0.5000000), wk = 0.0025575 k( 290) = ( 0.2275132 0.2275132 0.5000000), wk = 0.0025575 k( 291) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0025575 k( 292) = ( 0.2169312 0.2169312 0.5000000), wk = 0.0025575 k( 293) = ( 0.2116402 0.2116402 0.5000000), wk = 0.0025575 k( 294) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0025575 k( 295) = ( 0.2010582 0.2010582 0.5000000), wk = 0.0025575 k( 296) = ( 0.1957672 0.1957672 0.5000000), wk = 0.0025575 k( 297) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0025575 k( 298) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0025575 k( 299) = ( 0.1798942 0.1798942 0.5000000), wk = 0.0025575 k( 300) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0025575 k( 301) = ( 0.1693122 0.1693122 0.5000000), wk = 0.0025575 k( 302) = ( 0.1640212 0.1640212 0.5000000), wk = 0.0025575 k( 303) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0025575 k( 304) = ( 0.1534391 0.1534391 0.5000000), wk = 0.0025575 k( 305) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0025575 k( 306) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0025575 k( 307) = ( 0.1375661 0.1375661 0.5000000), wk = 0.0025575 k( 308) = ( 0.1322751 0.1322751 0.5000000), wk = 0.0025575 k( 309) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0025575 k( 310) = ( 0.1216931 0.1216931 0.5000000), wk = 0.0025575 k( 311) = ( 0.1164021 0.1164021 0.5000000), wk = 0.0025575 k( 312) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0025575 k( 313) = ( 0.1058201 0.1058201 0.5000000), wk = 0.0025575 k( 314) = ( 0.1005291 0.1005291 0.5000000), wk = 0.0025575 k( 315) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0025575 k( 316) = ( 0.0899471 0.0899471 0.5000000), wk = 0.0025575 k( 317) = ( 0.0846561 0.0846561 0.5000000), wk = 0.0025575 k( 318) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0025575 k( 319) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0025575 k( 320) = ( 0.0687831 0.0687831 0.5000000), wk = 0.0025575 k( 321) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0025575 k( 322) = ( 0.0582011 0.0582011 0.5000000), wk = 0.0025575 k( 323) = ( 0.0529101 0.0529100 0.5000000), wk = 0.0025575 k( 324) = ( 0.0476191 0.0476190 0.5000000), wk = 0.0025575 k( 325) = ( 0.0423280 0.0423280 0.5000000), wk = 0.0025575 k( 326) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0025575 k( 327) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0025575 k( 328) = ( 0.0264550 0.0264550 0.5000000), wk = 0.0025575 k( 329) = ( 0.0211640 0.0211640 0.5000000), wk = 0.0025575 k( 330) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0025575 k( 331) = ( 0.0105820 0.0105820 0.5000000), wk = 0.0025575 k( 332) = ( 0.0052910 0.0052910 0.5000000), wk = 0.0025575 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025575 k( 334) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0025575 k( 335) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0025575 k( 336) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0025575 k( 337) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0025575 k( 338) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0025575 k( 339) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0025575 k( 340) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0025575 k( 341) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0025575 k( 342) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0025575 k( 343) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0025575 k( 344) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0025575 k( 345) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0025575 k( 346) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0025575 k( 347) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0025575 k( 348) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0025575 k( 349) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0025575 k( 350) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0025575 k( 351) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0025575 k( 352) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0025575 k( 353) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0025575 k( 354) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0025575 k( 355) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0025575 k( 356) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0025575 k( 357) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0025575 k( 358) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0025575 k( 359) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0025575 k( 360) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0025575 k( 361) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0025575 k( 362) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0025575 k( 363) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025575 k( 364) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0025575 k( 365) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0025575 k( 366) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0025575 k( 367) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025575 k( 368) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0025575 k( 369) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0025575 k( 370) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0025575 k( 371) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025575 k( 372) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0025575 k( 373) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0025575 k( 374) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0025575 k( 375) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025575 k( 376) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0025575 k( 377) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025575 k( 378) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0025575 k( 379) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025575 k( 380) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0025575 k( 381) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0025575 k( 382) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0025575 k( 383) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025575 k( 384) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0025575 k( 385) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0025575 k( 386) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0025575 k( 387) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025575 k( 388) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0025575 k( 389) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0025575 k( 390) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0025575 k( 391) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025575 Dense grid: 49605 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 23729 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 198, 32) NL pseudopotentials 0.17 Mb ( 99, 110) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1373) G-vector shells 0.01 Mb ( 686) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 198, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.11 Mb ( 110, 2, 32) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./MgxAlCx2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.4 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.8 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.4 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.0 secs Computing kpt #: 22 total cpu time spent up to now is 8.2 secs Computing kpt #: 23 total cpu time spent up to now is 8.4 secs Computing kpt #: 24 total cpu time spent up to now is 8.6 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.2 secs Computing kpt #: 28 total cpu time spent up to now is 9.4 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.8 secs Computing kpt #: 31 total cpu time spent up to now is 10.0 secs Computing kpt #: 32 total cpu time spent up to now is 10.3 secs Computing kpt #: 33 total cpu time spent up to now is 10.5 secs Computing kpt #: 34 total cpu time spent up to now is 10.7 secs Computing kpt #: 35 total cpu time spent up to now is 10.9 secs Computing kpt #: 36 total cpu time spent up to now is 11.1 secs Computing kpt #: 37 total cpu time spent up to now is 11.3 secs Computing kpt #: 38 total cpu time spent up to now is 11.5 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.1 secs Computing kpt #: 42 total cpu time spent up to now is 12.3 secs Computing kpt #: 43 total cpu time spent up to now is 12.4 secs Computing kpt #: 44 total cpu time spent up to now is 12.6 secs Computing kpt #: 45 total cpu time spent up to now is 12.8 secs Computing kpt #: 46 total cpu time spent up to now is 13.0 secs Computing kpt #: 47 total cpu time spent up to now is 13.2 secs Computing kpt #: 48 total cpu time spent up to now is 13.4 secs Computing kpt #: 49 total cpu time spent up to now is 13.5 secs Computing kpt #: 50 total cpu time spent up to now is 13.7 secs Computing kpt #: 51 total cpu time spent up to now is 13.9 secs Computing kpt #: 52 total cpu time spent up to now is 14.1 secs Computing kpt #: 53 total cpu time spent up to now is 14.3 secs Computing kpt #: 54 total cpu time spent up to now is 14.5 secs Computing kpt #: 55 total cpu time spent up to now is 14.7 secs Computing kpt #: 56 total cpu time spent up to now is 14.8 secs Computing kpt #: 57 total cpu time spent up to now is 15.0 secs Computing kpt #: 58 total cpu time spent up to now is 15.2 secs Computing kpt #: 59 total cpu time spent up to now is 15.4 secs Computing kpt #: 60 total cpu time spent up to now is 15.6 secs Computing kpt #: 61 total cpu time spent up to now is 15.7 secs Computing kpt #: 62 total cpu time spent up to now is 15.9 secs Computing kpt #: 63 total cpu time spent up to now is 16.1 secs Computing kpt #: 64 total cpu time spent up to now is 16.3 secs Computing kpt #: 65 total cpu time spent up to now is 16.4 secs Computing kpt #: 66 total cpu time spent up to now is 16.6 secs Computing kpt #: 67 total cpu time spent up to now is 16.8 secs Computing kpt #: 68 total cpu time spent up to now is 17.0 secs Computing kpt #: 69 total cpu time spent up to now is 17.1 secs Computing kpt #: 70 total cpu time spent up to now is 17.3 secs Computing kpt #: 71 total cpu time spent up to now is 17.5 secs Computing kpt #: 72 total cpu time spent up to now is 17.6 secs Computing kpt #: 73 total cpu time spent up to now is 17.8 secs Computing kpt #: 74 total cpu time spent up to now is 18.0 secs Computing kpt #: 75 total cpu time spent up to now is 18.2 secs Computing kpt #: 76 total cpu time spent up to now is 18.4 secs Computing kpt #: 77 total cpu time spent up to now is 18.5 secs Computing kpt #: 78 total cpu time spent up to now is 18.8 secs Computing kpt #: 79 total cpu time spent up to now is 18.9 secs Computing kpt #: 80 total cpu time spent up to now is 19.2 secs Computing kpt #: 81 total cpu time spent up to now is 19.4 secs Computing kpt #: 82 total cpu time spent up to now is 19.6 secs Computing kpt #: 83 total cpu time spent up to now is 19.7 secs Computing kpt #: 84 total cpu time spent up to now is 19.9 secs Computing kpt #: 85 total cpu time spent up to now is 20.1 secs Computing kpt #: 86 total cpu time spent up to now is 20.3 secs Computing kpt #: 87 total cpu time spent up to now is 20.5 secs Computing kpt #: 88 total cpu time spent up to now is 20.7 secs Computing kpt #: 89 total cpu time spent up to now is 20.8 secs Computing kpt #: 90 total cpu time spent up to now is 21.0 secs Computing kpt #: 91 total cpu time spent up to now is 21.2 secs Computing kpt #: 92 total cpu time spent up to now is 21.4 secs Computing kpt #: 93 total cpu time spent up to now is 21.6 secs Computing kpt #: 94 total cpu time spent up to now is 21.8 secs Computing kpt #: 95 total cpu time spent up to now is 22.0 secs Computing kpt #: 96 total cpu time spent up to now is 22.3 secs Computing kpt #: 97 total cpu time spent up to now is 22.5 secs Computing kpt #: 98 total cpu time spent up to now is 22.7 secs Computing kpt #: 99 total cpu time spent up to now is 22.9 secs Computing kpt #: 100 total cpu time spent up to now is 23.1 secs Computing kpt #: 101 total cpu time spent up to now is 23.3 secs Computing kpt #: 102 total cpu time spent up to now is 23.4 secs Computing kpt #: 103 total cpu time spent up to now is 23.6 secs Computing kpt #: 104 total cpu time spent up to now is 23.8 secs Computing kpt #: 105 total cpu time spent up to now is 24.0 secs Computing kpt #: 106 total cpu time spent up to now is 24.2 secs Computing kpt #: 107 total cpu time spent up to now is 24.3 secs Computing kpt #: 108 total cpu time spent up to now is 24.5 secs Computing kpt #: 109 total cpu time spent up to now is 24.7 secs Computing kpt #: 110 total cpu time spent up to now is 24.8 secs Computing kpt #: 111 total cpu time spent up to now is 25.0 secs Computing kpt #: 112 total cpu time spent up to now is 25.2 secs Computing kpt #: 113 total cpu time spent up to now is 25.4 secs Computing kpt #: 114 total cpu time spent up to now is 25.6 secs Computing kpt #: 115 total cpu time spent up to now is 25.7 secs Computing kpt #: 116 total cpu time spent up to now is 25.9 secs Computing kpt #: 117 total cpu time spent up to now is 26.1 secs Computing kpt #: 118 total cpu time spent up to now is 26.3 secs Computing kpt #: 119 total cpu time spent up to now is 26.5 secs Computing kpt #: 120 total cpu time spent up to now is 26.6 secs Computing kpt #: 121 total cpu time spent up to now is 26.8 secs Computing kpt #: 122 total cpu time spent up to now is 27.0 secs Computing kpt #: 123 total cpu time spent up to now is 27.2 secs Computing kpt #: 124 total cpu time spent up to now is 27.4 secs Computing kpt #: 125 total cpu time spent up to now is 27.6 secs Computing kpt #: 126 total cpu time spent up to now is 27.8 secs Computing kpt #: 127 total cpu time spent up to now is 27.9 secs Computing kpt #: 128 total cpu time spent up to now is 28.1 secs Computing kpt #: 129 total cpu time spent up to now is 28.3 secs Computing kpt #: 130 total cpu time spent up to now is 28.5 secs Computing kpt #: 131 total cpu time spent up to now is 28.7 secs Computing kpt #: 132 total cpu time spent up to now is 28.9 secs Computing kpt #: 133 total cpu time spent up to now is 29.1 secs Computing kpt #: 134 total cpu time spent up to now is 29.3 secs Computing kpt #: 135 total cpu time spent up to now is 29.5 secs Computing kpt #: 136 total cpu time spent up to now is 29.7 secs Computing kpt #: 137 total cpu time spent up to now is 29.9 secs Computing kpt #: 138 total cpu time spent up to now is 30.1 secs Computing kpt #: 139 total cpu time spent up to now is 30.3 secs Computing kpt #: 140 total cpu time spent up to now is 30.5 secs Computing kpt #: 141 total cpu time spent up to now is 30.7 secs Computing kpt #: 142 total cpu time spent up to now is 30.9 secs Computing kpt #: 143 total cpu time spent up to now is 31.1 secs Computing kpt #: 144 total cpu time spent up to now is 31.2 secs Computing kpt #: 145 total cpu time spent up to now is 31.4 secs Computing kpt #: 146 total cpu time spent up to now is 31.6 secs Computing kpt #: 147 total cpu time spent up to now is 31.8 secs Computing kpt #: 148 total cpu time spent up to now is 32.0 secs Computing kpt #: 149 total cpu time spent up to now is 32.2 secs Computing kpt #: 150 total cpu time spent up to now is 32.4 secs Computing kpt #: 151 total cpu time spent up to now is 32.6 secs Computing kpt #: 152 total cpu time spent up to now is 32.7 secs Computing kpt #: 153 total cpu time spent up to now is 32.9 secs Computing kpt #: 154 total cpu time spent up to now is 33.1 secs Computing kpt #: 155 total cpu time spent up to now is 33.2 secs Computing kpt #: 156 total cpu time spent up to now is 33.4 secs Computing kpt #: 157 total cpu time spent up to now is 33.6 secs Computing kpt #: 158 total cpu time spent up to now is 33.8 secs Computing kpt #: 159 total cpu time spent up to now is 34.0 secs Computing kpt #: 160 total cpu time spent up to now is 34.1 secs Computing kpt #: 161 total cpu time spent up to now is 34.3 secs Computing kpt #: 162 total cpu time spent up to now is 34.5 secs Computing kpt #: 163 total cpu time spent up to now is 34.7 secs Computing kpt #: 164 total cpu time spent up to now is 34.9 secs Computing kpt #: 165 total cpu time spent up to now is 35.0 secs Computing kpt #: 166 total cpu time spent up to now is 35.2 secs Computing kpt #: 167 total cpu time spent up to now is 35.4 secs Computing kpt #: 168 total cpu time spent up to now is 35.6 secs Computing kpt #: 169 total cpu time spent up to now is 35.8 secs Computing kpt #: 170 total cpu time spent up to now is 36.0 secs Computing kpt #: 171 total cpu time spent up to now is 36.2 secs Computing kpt #: 172 total cpu time spent up to now is 36.4 secs Computing kpt #: 173 total cpu time spent up to now is 36.6 secs Computing kpt #: 174 total cpu time spent up to now is 36.8 secs Computing kpt #: 175 total cpu time spent up to now is 37.0 secs Computing kpt #: 176 total cpu time spent up to now is 37.2 secs Computing kpt #: 177 total cpu time spent up to now is 37.4 secs Computing kpt #: 178 total cpu time spent up to now is 37.6 secs Computing kpt #: 179 total cpu time spent up to now is 37.8 secs Computing kpt #: 180 total cpu time spent up to now is 38.0 secs Computing kpt #: 181 total cpu time spent up to now is 38.2 secs Computing kpt #: 182 total cpu time spent up to now is 38.5 secs Computing kpt #: 183 total cpu time spent up to now is 38.7 secs Computing kpt #: 184 total cpu time spent up to now is 39.0 secs Computing kpt #: 185 total cpu time spent up to now is 39.2 secs Computing kpt #: 186 total cpu time spent up to now is 39.4 secs Computing kpt #: 187 total cpu time spent up to now is 39.7 secs Computing kpt #: 188 total cpu time spent up to now is 39.9 secs Computing kpt #: 189 total cpu time spent up to now is 40.1 secs Computing kpt #: 190 total cpu time spent up to now is 40.3 secs Computing kpt #: 191 total cpu time spent up to now is 40.4 secs Computing kpt #: 192 total cpu time spent up to now is 40.6 secs Computing kpt #: 193 total cpu time spent up to now is 40.8 secs Computing kpt #: 194 total cpu time spent up to now is 40.9 secs Computing kpt #: 195 total cpu time spent up to now is 41.1 secs Computing kpt #: 196 total cpu time spent up to now is 41.3 secs Computing kpt #: 197 total cpu time spent up to now is 41.4 secs Computing kpt #: 198 total cpu time spent up to now is 41.6 secs Computing kpt #: 199 total cpu time spent up to now is 41.8 secs Computing kpt #: 200 total cpu time spent up to now is 42.0 secs Computing kpt #: 201 total cpu time spent up to now is 42.1 secs Computing kpt #: 202 total cpu time spent up to now is 42.3 secs Computing kpt #: 203 total cpu time spent up to now is 42.5 secs Computing kpt #: 204 total cpu time spent up to now is 42.7 secs Computing kpt #: 205 total cpu time spent up to now is 42.8 secs Computing kpt #: 206 total cpu time spent up to now is 43.0 secs Computing kpt #: 207 total cpu time spent up to now is 43.2 secs Computing kpt #: 208 total cpu time spent up to now is 43.4 secs Computing kpt #: 209 total cpu time spent up to now is 43.5 secs Computing kpt #: 210 total cpu time spent up to now is 43.7 secs Computing kpt #: 211 total cpu time spent up to now is 43.9 secs Computing kpt #: 212 total cpu time spent up to now is 44.0 secs Computing kpt #: 213 total cpu time spent up to now is 44.2 secs Computing kpt #: 214 total cpu time spent up to now is 44.4 secs Computing kpt #: 215 total cpu time spent up to now is 44.5 secs Computing kpt #: 216 total cpu time spent up to now is 44.7 secs Computing kpt #: 217 total cpu time spent up to now is 44.8 secs Computing kpt #: 218 total cpu time spent up to now is 45.0 secs Computing kpt #: 219 total cpu time spent up to now is 45.2 secs Computing kpt #: 220 total cpu time spent up to now is 45.3 secs Computing kpt #: 221 total cpu time spent up to now is 45.5 secs Computing kpt #: 222 total cpu time spent up to now is 45.6 secs Computing kpt #: 223 total cpu time spent up to now is 45.8 secs Computing kpt #: 224 total cpu time spent up to now is 46.0 secs Computing kpt #: 225 total cpu time spent up to now is 46.1 secs Computing kpt #: 226 total cpu time spent up to now is 46.3 secs Computing kpt #: 227 total cpu time spent up to now is 46.4 secs Computing kpt #: 228 total cpu time spent up to now is 47.1 secs Computing kpt #: 229 total cpu time spent up to now is 47.2 secs Computing kpt #: 230 total cpu time spent up to now is 47.4 secs Computing kpt #: 231 total cpu time spent up to now is 47.5 secs Computing kpt #: 232 total cpu time spent up to now is 47.7 secs Computing kpt #: 233 total cpu time spent up to now is 47.8 secs Computing kpt #: 234 total cpu time spent up to now is 48.0 secs Computing kpt #: 235 total cpu time spent up to now is 48.1 secs Computing kpt #: 236 total cpu time spent up to now is 48.3 secs Computing kpt #: 237 total cpu time spent up to now is 48.4 secs Computing kpt #: 238 total cpu time spent up to now is 48.6 secs Computing kpt #: 239 total cpu time spent up to now is 48.7 secs Computing kpt #: 240 total cpu time spent up to now is 48.9 secs Computing kpt #: 241 total cpu time spent up to now is 49.0 secs Computing kpt #: 242 total cpu time spent up to now is 49.2 secs Computing kpt #: 243 total cpu time spent up to now is 49.3 secs Computing kpt #: 244 total cpu time spent up to now is 49.5 secs Computing kpt #: 245 total cpu time spent up to now is 49.6 secs Computing kpt #: 246 total cpu time spent up to now is 49.8 secs Computing kpt #: 247 total cpu time spent up to now is 49.9 secs Computing kpt #: 248 total cpu time spent up to now is 50.1 secs Computing kpt #: 249 total cpu time spent up to now is 50.2 secs Computing kpt #: 250 total cpu time spent up to now is 50.4 secs Computing kpt #: 251 total cpu time spent up to now is 50.6 secs Computing kpt #: 252 total cpu time spent up to now is 50.7 secs Computing kpt #: 253 total cpu time spent up to now is 50.9 secs Computing kpt #: 254 total cpu time spent up to now is 51.1 secs Computing kpt #: 255 total cpu time spent up to now is 51.2 secs Computing kpt #: 256 total cpu time spent up to now is 51.4 secs Computing kpt #: 257 total cpu time spent up to now is 51.5 secs Computing kpt #: 258 total cpu time spent up to now is 51.7 secs Computing kpt #: 259 total cpu time spent up to now is 51.9 secs Computing kpt #: 260 total cpu time spent up to now is 52.0 secs Computing kpt #: 261 total cpu time spent up to now is 52.2 secs Computing kpt #: 262 total cpu time spent up to now is 52.3 secs Computing kpt #: 263 total cpu time spent up to now is 52.5 secs Computing kpt #: 264 total cpu time spent up to now is 52.7 secs Computing kpt #: 265 total cpu time spent up to now is 52.8 secs Computing kpt #: 266 total cpu time spent up to now is 53.0 secs Computing kpt #: 267 total cpu time spent up to now is 53.1 secs Computing kpt #: 268 total cpu time spent up to now is 53.3 secs Computing kpt #: 269 total cpu time spent up to now is 53.4 secs Computing kpt #: 270 total cpu time spent up to now is 53.6 secs Computing kpt #: 271 total cpu time spent up to now is 53.7 secs Computing kpt #: 272 total cpu time spent up to now is 53.9 secs Computing kpt #: 273 total cpu time spent up to now is 54.0 secs Computing kpt #: 274 total cpu time spent up to now is 54.2 secs Computing kpt #: 275 total cpu time spent up to now is 54.3 secs Computing kpt #: 276 total cpu time spent up to now is 54.5 secs Computing kpt #: 277 total cpu time spent up to now is 54.6 secs Computing kpt #: 278 total cpu time spent up to now is 54.8 secs Computing kpt #: 279 total cpu time spent up to now is 54.9 secs Computing kpt #: 280 total cpu time spent up to now is 55.1 secs Computing kpt #: 281 total cpu time spent up to now is 55.2 secs Computing kpt #: 282 total cpu time spent up to now is 55.4 secs Computing kpt #: 283 total cpu time spent up to now is 55.6 secs Computing kpt #: 284 total cpu time spent up to now is 55.7 secs Computing kpt #: 285 total cpu time spent up to now is 55.9 secs Computing kpt #: 286 total cpu time spent up to now is 56.0 secs Computing kpt #: 287 total cpu time spent up to now is 56.2 secs Computing kpt #: 288 total cpu time spent up to now is 56.4 secs Computing kpt #: 289 total cpu time spent up to now is 56.5 secs Computing kpt #: 290 total cpu time spent up to now is 56.7 secs Computing kpt #: 291 total cpu time spent up to now is 56.9 secs Computing kpt #: 292 total cpu time spent up to now is 57.1 secs Computing kpt #: 293 total cpu time spent up to now is 57.2 secs Computing kpt #: 294 total cpu time spent up to now is 57.4 secs Computing kpt #: 295 total cpu time spent up to now is 57.6 secs Computing kpt #: 296 total cpu time spent up to now is 57.8 secs Computing kpt #: 297 total cpu time spent up to now is 58.0 secs Computing kpt #: 298 total cpu time spent up to now is 58.1 secs Computing kpt #: 299 total cpu time spent up to now is 58.3 secs Computing kpt #: 300 total cpu time spent up to now is 58.5 secs Computing kpt #: 301 total cpu time spent up to now is 58.7 secs Computing kpt #: 302 total cpu time spent up to now is 58.9 secs Computing kpt #: 303 total cpu time spent up to now is 59.1 secs Computing kpt #: 304 total cpu time spent up to now is 59.3 secs Computing kpt #: 305 total cpu time spent up to now is 59.4 secs Computing kpt #: 306 total cpu time spent up to now is 59.6 secs Computing kpt #: 307 total cpu time spent up to now is 59.8 secs Computing kpt #: 308 total cpu time spent up to now is 60.0 secs Computing kpt #: 309 total cpu time spent up to now is 60.1 secs Computing kpt #: 310 total cpu time spent up to now is 60.3 secs Computing kpt #: 311 total cpu time spent up to now is 60.5 secs Computing kpt #: 312 total cpu time spent up to now is 60.6 secs Computing kpt #: 313 total cpu time spent up to now is 60.8 secs Computing kpt #: 314 total cpu time spent up to now is 61.0 secs Computing kpt #: 315 total cpu time spent up to now is 61.1 secs Computing kpt #: 316 total cpu time spent up to now is 61.3 secs Computing kpt #: 317 total cpu time spent up to now is 61.5 secs Computing kpt #: 318 total cpu time spent up to now is 61.6 secs Computing kpt #: 319 total cpu time spent up to now is 61.8 secs Computing kpt #: 320 total cpu time spent up to now is 62.0 secs Computing kpt #: 321 total cpu time spent up to now is 62.1 secs Computing kpt #: 322 total cpu time spent up to now is 62.3 secs Computing kpt #: 323 total cpu time spent up to now is 62.4 secs Computing kpt #: 324 total cpu time spent up to now is 62.6 secs Computing kpt #: 325 total cpu time spent up to now is 62.8 secs Computing kpt #: 326 total cpu time spent up to now is 63.0 secs Computing kpt #: 327 total cpu time spent up to now is 63.2 secs Computing kpt #: 328 total cpu time spent up to now is 63.5 secs Computing kpt #: 329 total cpu time spent up to now is 63.7 secs Computing kpt #: 330 total cpu time spent up to now is 63.9 secs Computing kpt #: 331 total cpu time spent up to now is 64.1 secs Computing kpt #: 332 total cpu time spent up to now is 64.3 secs Computing kpt #: 333 total cpu time spent up to now is 64.6 secs Computing kpt #: 334 total cpu time spent up to now is 64.7 secs Computing kpt #: 335 total cpu time spent up to now is 64.8 secs Computing kpt #: 336 total cpu time spent up to now is 65.0 secs Computing kpt #: 337 total cpu time spent up to now is 65.1 secs Computing kpt #: 338 total cpu time spent up to now is 65.3 secs Computing kpt #: 339 total cpu time spent up to now is 65.4 secs Computing kpt #: 340 total cpu time spent up to now is 65.6 secs Computing kpt #: 341 total cpu time spent up to now is 65.7 secs Computing kpt #: 342 total cpu time spent up to now is 65.9 secs Computing kpt #: 343 total cpu time spent up to now is 66.0 secs Computing kpt #: 344 total cpu time spent up to now is 66.2 secs Computing kpt #: 345 total cpu time spent up to now is 66.4 secs Computing kpt #: 346 total cpu time spent up to now is 66.5 secs Computing kpt #: 347 total cpu time spent up to now is 66.7 secs Computing kpt #: 348 total cpu time spent up to now is 66.9 secs Computing kpt #: 349 total cpu time spent up to now is 67.0 secs Computing kpt #: 350 total cpu time spent up to now is 67.2 secs Computing kpt #: 351 total cpu time spent up to now is 67.4 secs Computing kpt #: 352 total cpu time spent up to now is 67.5 secs Computing kpt #: 353 total cpu time spent up to now is 67.7 secs Computing kpt #: 354 total cpu time spent up to now is 67.9 secs Computing kpt #: 355 total cpu time spent up to now is 68.1 secs Computing kpt #: 356 total cpu time spent up to now is 68.3 secs Computing kpt #: 357 total cpu time spent up to now is 68.5 secs Computing kpt #: 358 total cpu time spent up to now is 68.7 secs Computing kpt #: 359 total cpu time spent up to now is 68.9 secs Computing kpt #: 360 total cpu time spent up to now is 69.1 secs Computing kpt #: 361 total cpu time spent up to now is 69.2 secs Computing kpt #: 362 total cpu time spent up to now is 69.4 secs Computing kpt #: 363 total cpu time spent up to now is 69.6 secs Computing kpt #: 364 total cpu time spent up to now is 69.8 secs Computing kpt #: 365 total cpu time spent up to now is 70.0 secs Computing kpt #: 366 total cpu time spent up to now is 70.1 secs Computing kpt #: 367 total cpu time spent up to now is 70.3 secs Computing kpt #: 368 total cpu time spent up to now is 70.5 secs Computing kpt #: 369 total cpu time spent up to now is 70.6 secs Computing kpt #: 370 total cpu time spent up to now is 70.8 secs Computing kpt #: 371 total cpu time spent up to now is 71.0 secs Computing kpt #: 372 total cpu time spent up to now is 71.1 secs Computing kpt #: 373 total cpu time spent up to now is 71.3 secs Computing kpt #: 374 total cpu time spent up to now is 71.4 secs Computing kpt #: 375 total cpu time spent up to now is 71.6 secs Computing kpt #: 376 total cpu time spent up to now is 71.7 secs Computing kpt #: 377 total cpu time spent up to now is 71.9 secs Computing kpt #: 378 total cpu time spent up to now is 72.0 secs Computing kpt #: 379 total cpu time spent up to now is 72.2 secs Computing kpt #: 380 total cpu time spent up to now is 72.4 secs Computing kpt #: 381 total cpu time spent up to now is 72.5 secs Computing kpt #: 382 total cpu time spent up to now is 72.7 secs Computing kpt #: 383 total cpu time spent up to now is 72.8 secs Computing kpt #: 384 total cpu time spent up to now is 73.0 secs Computing kpt #: 385 total cpu time spent up to now is 73.1 secs Computing kpt #: 386 total cpu time spent up to now is 73.3 secs Computing kpt #: 387 total cpu time spent up to now is 74.1 secs Computing kpt #: 388 total cpu time spent up to now is 74.3 secs Computing kpt #: 389 total cpu time spent up to now is 74.4 secs Computing kpt #: 390 total cpu time spent up to now is 74.5 secs Computing kpt #: 391 total cpu time spent up to now is 74.7 secs ethr = 4.17E-08, avg # of iterations = 17.2 total cpu time spent up to now is 74.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0185 -5.0185 -2.2655 -2.2655 1.9389 1.9389 7.3966 7.3966 7.4083 7.4083 7.8749 7.8749 8.3891 8.3891 8.3953 8.3953 11.7399 11.7399 13.0503 13.0503 15.0242 15.0242 15.0447 15.0447 k = 0.0093 0.0053-0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0173 -5.0173 -2.2646 -2.2646 1.9402 1.9402 7.3862 7.3862 7.4026 7.4026 7.8824 7.8824 8.3845 8.3845 8.3932 8.3932 11.7450 11.7450 13.0542 13.0542 15.0067 15.0067 15.0408 15.0408 k = 0.0185 0.0107-0.0000 ( 2983 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0137 -5.0137 -2.2621 -2.2621 1.9440 1.9440 7.3487 7.3487 7.3944 7.3944 7.9024 7.9024 8.3662 8.3662 8.3915 8.3915 11.7600 11.7600 13.0659 13.0659 14.9518 14.9518 15.0481 15.0481 k = 0.0278 0.0160-0.0000 ( 2983 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3401 -33.3401 -5.0078 -5.0078 -2.2578 -2.2578 1.9503 1.9503 7.2899 7.2899 7.3832 7.3832 7.9295 7.9295 8.3351 8.3351 8.3898 8.3898 11.7845 11.7845 13.0850 13.0850 14.8810 14.8810 15.0637 15.0637 k = 0.0370 0.0214-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3454 -33.3454 -33.3401 -33.3401 -4.9994 -4.9994 -2.2518 -2.2518 1.9591 1.9591 7.2159 7.2159 7.3681 7.3681 7.9588 7.9588 8.2930 8.2930 8.3876 8.3876 11.8177 11.8177 13.1107 13.1107 14.8027 14.8027 15.0858 15.0858 k = 0.0463 0.0267-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3454 -33.3454 -33.3402 -33.3402 -4.9886 -4.9886 -2.2442 -2.2442 1.9705 1.9705 7.1301 7.1301 7.3491 7.3491 7.9859 7.9859 8.2420 8.2420 8.3846 8.3846 11.8586 11.8586 13.1421 13.1421 14.7204 14.7204 15.1143 15.1143 k = 0.0556 0.0321-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3402 -33.3402 -4.9755 -4.9755 -2.2348 -2.2348 1.9844 1.9844 7.0349 7.0349 7.3265 7.3265 8.0057 8.0057 8.1866 8.1866 8.3807 8.3807 11.9062 11.9062 13.1779 13.1779 14.6361 14.6361 15.1489 15.1489 k = 0.0648 0.0374-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3403 -33.3403 -4.9600 -4.9600 -2.2239 -2.2239 2.0008 2.0008 6.9318 6.9318 7.3006 7.3006 8.0051 8.0051 8.1399 8.1399 8.3758 8.3758 11.9594 11.9594 13.2160 13.2160 14.5521 14.5521 15.1894 15.1894 k = 0.0741 0.0428-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6312 -33.6312 -33.3455 -33.3455 -33.3404 -33.3404 -4.9421 -4.9421 -2.2112 -2.2112 2.0197 2.0197 6.8219 6.8219 7.2715 7.2715 7.9633 7.9633 8.1232 8.1232 8.3697 8.3697 12.0169 12.0169 13.2539 13.2539 14.4712 14.4712 15.2357 15.2357 k = 0.0833 0.0481-0.0000 ( 2967 PWs) bands (ev): -66.6921 -66.6921 -33.6312 -33.6312 -33.3455 -33.3455 -33.3405 -33.3405 -4.9218 -4.9218 -2.1970 -2.1970 2.0411 2.0411 6.7061 6.7061 7.2396 7.2396 7.8889 7.8889 8.1287 8.1287 8.3624 8.3624 12.0778 12.0778 13.2879 13.2879 14.3967 14.3967 15.2872 15.2872 k = 0.0926 0.0535-0.0000 ( 2963 PWs) bands (ev): -66.6921 -66.6921 -33.6313 -33.6313 -33.3455 -33.3455 -33.3406 -33.3406 -4.8992 -4.8992 -2.1812 -2.1812 2.0649 2.0649 6.5851 6.5851 7.2052 7.2052 7.7995 7.7995 8.1396 8.1396 8.3538 8.3538 12.1410 12.1410 13.3133 13.3133 14.3332 14.3332 15.3435 15.3435 k = 0.1019 0.0588-0.0000 ( 2963 PWs) bands (ev): -66.6921 -66.6921 -33.6314 -33.6314 -33.3455 -33.3455 -33.3408 -33.3408 -4.8743 -4.8743 -2.1639 -2.1639 2.0913 2.0913 6.4594 6.4594 7.1686 7.1686 7.7018 7.7018 8.1501 8.1501 8.3438 8.3438 12.2057 12.2057 13.3247 13.3247 14.2859 14.2859 15.4038 15.4038 k = 0.1111 0.0642-0.0000 ( 2967 PWs) bands (ev): -66.6921 -66.6921 -33.6315 -33.6315 -33.3456 -33.3456 -33.3409 -33.3409 -4.8471 -4.8471 -2.1450 -2.1450 2.1201 2.1201 6.3297 6.3297 7.1301 7.1301 7.5981 7.5981 8.1585 8.1585 8.3324 8.3324 12.2708 12.2708 13.3168 13.3168 14.2597 14.2597 15.4668 15.4668 k = 0.1204 0.0695-0.0000 ( 2969 PWs) bands (ev): -66.6920 -66.6920 -33.6316 -33.6316 -33.3456 -33.3456 -33.3411 -33.3411 -4.8175 -4.8175 -2.1247 -2.1247 2.1514 2.1514 6.1964 6.1964 7.0899 7.0899 7.4900 7.4900 8.1642 8.1642 8.3196 8.3196 12.3356 12.3356 13.2870 13.2870 14.2568 14.2568 15.5306 15.5306 k = 0.1296 0.0748-0.0000 ( 2965 PWs) bands (ev): -66.6920 -66.6920 -33.6317 -33.6317 -33.3457 -33.3457 -33.3412 -33.3412 -4.7857 -4.7857 -2.1030 -2.1030 2.1851 2.1851 6.0600 6.0600 7.0484 7.0484 7.3782 7.3782 8.1668 8.1668 8.3053 8.3053 12.3992 12.3992 13.2361 13.2361 14.2759 14.2759 15.4925 15.4925 k = 0.1389 0.0802-0.0000 ( 2965 PWs) bands (ev): -66.6920 -66.6920 -33.6318 -33.6318 -33.3457 -33.3457 -33.3414 -33.3414 -4.7516 -4.7516 -2.0799 -2.0799 2.2212 2.2212 5.9211 5.9211 7.0056 7.0056 7.2635 7.2635 8.1664 8.1664 8.2897 8.2897 12.4603 12.4603 13.1684 13.1684 14.3120 14.3120 15.4090 15.4090 k = 0.1481 0.0855-0.0000 ( 2965 PWs) bands (ev): -66.6920 -66.6920 -33.6319 -33.6319 -33.3458 -33.3458 -33.3416 -33.3416 -4.7152 -4.7152 -2.0555 -2.0555 2.2597 2.2597 5.7801 5.7801 6.9620 6.9620 7.1463 7.1463 8.1628 8.1628 8.2728 8.2728 12.5172 12.5172 13.0897 13.0897 14.3592 14.3592 15.3252 15.3252 k = 0.1574 0.0909-0.0000 ( 2965 PWs) bands (ev): -66.6920 -66.6920 -33.6320 -33.6320 -33.3458 -33.3458 -33.3417 -33.3417 -4.6766 -4.6766 -2.0299 -2.0299 2.3006 2.3006 5.6373 5.6373 6.9177 6.9177 7.0272 7.0272 8.1560 8.1560 8.2546 8.2546 12.5662 12.5662 13.0073 13.0073 14.4106 14.4106 15.2441 15.2441 k = 0.1667 0.0962-0.0000 ( 2965 PWs) bands (ev): -66.6919 -66.6919 -33.6321 -33.6321 -33.3459 -33.3459 -33.3419 -33.3419 -4.6359 -4.6359 -2.0031 -2.0031 2.3438 2.3438 5.4932 5.4932 6.8729 6.8729 6.9065 6.9065 8.1460 8.1460 8.2352 8.2352 12.5986 12.5986 12.9326 12.9326 14.4588 14.4588 15.1709 15.1709 k = 0.1759 0.1016-0.0000 ( 2961 PWs) bands (ev): -66.6919 -66.6919 -33.6322 -33.6322 -33.3460 -33.3460 -33.3421 -33.3421 -4.5929 -4.5929 -1.9753 -1.9753 2.3894 2.3894 5.3481 5.3481 6.7845 6.7845 6.8278 6.8278 8.1328 8.1328 8.2148 8.2148 12.5961 12.5961 12.8860 12.8860 14.4946 14.4946 15.1124 15.1124 k = 0.1852 0.1069-0.0000 ( 2957 PWs) bands (ev): -66.6919 -66.6919 -33.6323 -33.6323 -33.3460 -33.3460 -33.3423 -33.3423 -4.5478 -4.5478 -1.9464 -1.9464 2.4373 2.4373 5.2026 5.2026 6.6616 6.6616 6.7826 6.7826 8.1164 8.1164 8.1934 8.1934 12.5448 12.5448 12.8829 12.8829 14.5077 14.5077 15.0778 15.0778 k = 0.1944 0.1123-0.0000 ( 2953 PWs) bands (ev): -66.6919 -66.6919 -33.6325 -33.6325 -33.3461 -33.3461 -33.3424 -33.3424 -4.5005 -4.5005 -1.9167 -1.9167 2.4875 2.4875 5.0568 5.0568 6.5379 6.5379 6.7374 6.7374 8.0966 8.0966 8.1711 8.1711 12.4596 12.4596 12.9092 12.9092 14.4911 14.4911 15.0725 15.0725 k = 0.2037 0.1176-0.0000 ( 2945 PWs) bands (ev): -66.6918 -66.6918 -33.6326 -33.6326 -33.3462 -33.3462 -33.3426 -33.3426 -4.4512 -4.4512 -1.8862 -1.8862 2.5399 2.5399 4.9112 4.9112 6.4138 6.4138 6.6924 6.6924 8.0735 8.0735 8.1481 8.1481 12.3592 12.3592 12.9471 12.9471 14.4470 14.4470 15.0934 15.0934 k = 0.2130 0.1230-0.0000 ( 2949 PWs) bands (ev): -66.6918 -66.6918 -33.6327 -33.6327 -33.3463 -33.3463 -33.3428 -33.3428 -4.3999 -4.3999 -1.8550 -1.8550 2.5946 2.5946 4.7662 4.7662 6.2895 6.2895 6.6477 6.6477 8.0470 8.0470 8.1244 8.1244 12.2522 12.2522 12.9882 12.9882 14.3839 14.3839 15.1302 15.1302 k = 0.2222 0.1283-0.0000 ( 2949 PWs) bands (ev): -66.6918 -66.6918 -33.6329 -33.6329 -33.3465 -33.3465 -33.3429 -33.3429 -4.3465 -4.3465 -1.8234 -1.8234 2.6514 2.6514 4.6219 4.6219 6.1651 6.1651 6.6035 6.6035 8.0171 8.0171 8.1003 8.1003 12.1425 12.1425 13.0292 13.0292 14.3101 14.3101 15.1726 15.1726 k = 0.2315 0.1336-0.0000 ( 2953 PWs) bands (ev): -66.6918 -66.6918 -33.6330 -33.6330 -33.3466 -33.3466 -33.3431 -33.3431 -4.2912 -4.2912 -1.7913 -1.7913 2.7103 2.7103 4.4789 4.4789 6.0410 6.0410 6.5598 6.5598 7.9837 7.9837 8.0757 8.0757 12.0321 12.0321 13.0684 13.0684 14.2312 14.2312 15.2121 15.2121 k = 0.2407 0.1390-0.0000 ( 2955 PWs) bands (ev): -66.6917 -66.6917 -33.6332 -33.6332 -33.3468 -33.3468 -33.3432 -33.3432 -4.2339 -4.2339 -1.7591 -1.7591 2.7713 2.7713 4.3374 4.3374 5.9172 5.9172 6.5169 6.5169 7.9467 7.9467 8.0509 8.0509 11.9220 11.9220 13.1049 13.1049 14.1507 14.1507 15.2416 15.2416 k = 0.2500 0.1443-0.0000 ( 2956 PWs) bands (ev): -66.6917 -66.6917 -33.6333 -33.6333 -33.3469 -33.3469 -33.3434 -33.3434 -4.1749 -4.1749 -1.7268 -1.7268 2.8344 2.8344 4.1978 4.1978 5.7939 5.7939 6.4747 6.4747 7.9062 7.9062 8.0260 8.0260 11.8131 11.8131 13.1381 13.1381 14.0706 14.0706 15.2580 15.2580 k = 0.2593 0.1497-0.0000 ( 2960 PWs) bands (ev): -66.6917 -66.6917 -33.6334 -33.6334 -33.3471 -33.3471 -33.3435 -33.3435 -4.1140 -4.1140 -1.6947 -1.6947 2.8993 2.8993 4.0603 4.0603 5.6714 5.6714 6.4334 6.4334 7.8620 7.8620 8.0010 8.0010 11.7059 11.7059 13.1676 13.1676 13.9921 13.9921 15.2633 15.2633 k = 0.2685 0.1550-0.0000 ( 2960 PWs) bands (ev): -66.6917 -66.6917 -33.6336 -33.6336 -33.3473 -33.3473 -33.3436 -33.3436 -4.0514 -4.0514 -1.6630 -1.6630 2.9662 2.9662 3.9255 3.9255 5.5499 5.5499 6.3931 6.3931 7.8142 7.8142 7.9761 7.9761 11.6010 11.6010 13.1933 13.1933 13.9161 13.9161 15.2472 15.2472 k = 0.2778 0.1604-0.0000 ( 2958 PWs) bands (ev): -66.6917 -66.6917 -33.6337 -33.6337 -33.3474 -33.3474 -33.3437 -33.3437 -3.9872 -3.9872 -1.6319 -1.6319 3.0348 3.0348 3.7936 3.7936 5.4295 5.4295 6.3539 6.3539 7.7628 7.7628 7.9513 7.9513 11.4986 11.4986 13.2149 13.2149 13.8432 13.8432 15.1997 15.1997 k = 0.2870 0.1657-0.0000 ( 2958 PWs) bands (ev): -66.6916 -66.6916 -33.6339 -33.6339 -33.3476 -33.3476 -33.3438 -33.3438 -3.9213 -3.9213 -1.6017 -1.6017 3.1051 3.1051 3.6650 3.6650 5.3104 5.3104 6.3158 6.3158 7.7077 7.7077 7.9269 7.9269 11.3992 11.3992 13.2324 13.2324 13.7735 13.7735 15.1528 15.1528 k = 0.2963 0.1711-0.0000 ( 2968 PWs) bands (ev): -66.6916 -66.6916 -33.6340 -33.6340 -33.3478 -33.3478 -33.3439 -33.3439 -3.8540 -3.8540 -1.5726 -1.5726 3.1766 3.1766 3.5404 3.5404 5.1929 5.1929 6.2789 6.2789 7.6491 7.6491 7.9028 7.9028 11.3031 11.3031 13.2459 13.2459 13.7072 13.7072 15.1071 15.1071 k = 0.3056 0.1764-0.0000 ( 2972 PWs) bands (ev): -66.6916 -66.6916 -33.6342 -33.6342 -33.3480 -33.3480 -33.3440 -33.3440 -3.7853 -3.7853 -1.5450 -1.5450 3.2481 3.2481 3.4213 3.4213 5.0772 5.0772 6.2432 6.2432 7.5870 7.5870 7.8792 7.8792 11.2104 11.2104 13.2555 13.2555 13.6447 13.6447 15.0628 15.0628 k = 0.3148 0.1818-0.0000 ( 2966 PWs) bands (ev): -66.6916 -66.6916 -33.6343 -33.6343 -33.3482 -33.3482 -33.3441 -33.3441 -3.7154 -3.7154 -1.5191 -1.5191 3.2839 3.2839 3.3435 3.3435 4.9636 4.9636 6.2089 6.2089 7.5215 7.5215 7.8561 7.8561 11.1216 11.1216 13.2615 13.2615 13.5858 13.5858 15.0201 15.0201 k = 0.3241 0.1871-0.0000 ( 2966 PWs) bands (ev): -66.6915 -66.6915 -33.6344 -33.6344 -33.3484 -33.3484 -33.3441 -33.3441 -3.6443 -3.6443 -1.4952 -1.4952 3.1847 3.1847 3.4066 3.4066 4.8523 4.8523 6.1759 6.1759 7.4528 7.4528 7.8337 7.8337 11.0366 11.0366 13.2641 13.2641 13.5307 13.5307 14.9789 14.9789 k = 0.3333 0.1925-0.0000 ( 2966 PWs) bands (ev): -66.6915 -66.6915 -33.6345 -33.6345 -33.3486 -33.3486 -33.3442 -33.3442 -3.5721 -3.5721 -1.4737 -1.4737 3.0790 3.0790 3.4822 3.4822 4.7439 4.7439 6.1444 6.1444 7.3810 7.3810 7.8121 7.8121 10.9558 10.9558 13.2637 13.2637 13.4792 13.4792 14.9395 14.9395 k = 0.3426 0.1978-0.0000 ( 2970 PWs) bands (ev): -66.6915 -66.6915 -33.6347 -33.6347 -33.3488 -33.3488 -33.3443 -33.3443 -3.4992 -3.4992 -1.4550 -1.4550 2.9778 2.9778 3.5591 3.5591 4.6387 4.6387 6.1144 6.1144 7.3063 7.3063 7.7911 7.7911 10.8792 10.8792 13.2608 13.2608 13.4313 13.4313 14.9019 14.9019 k = 0.3519 0.2031-0.0000 ( 2978 PWs) bands (ev): -66.6915 -66.6915 -33.6348 -33.6348 -33.3490 -33.3490 -33.3443 -33.3443 -3.4255 -3.4255 -1.4393 -1.4393 2.8822 2.8822 3.6361 3.6361 4.5375 4.5375 6.0858 6.0858 7.2291 7.2291 7.7711 7.7711 10.8070 10.8070 13.2556 13.2556 13.3869 13.3869 14.8661 14.8661 k = 0.3611 0.2085-0.0000 ( 2974 PWs) bands (ev): -66.6915 -66.6915 -33.6349 -33.6349 -33.3492 -33.3492 -33.3443 -33.3443 -3.3514 -3.3514 -1.4269 -1.4269 2.7928 2.7928 3.7119 3.7119 4.4415 4.4415 6.0588 6.0588 7.1496 7.1496 7.7520 7.7520 10.7392 10.7392 13.2485 13.2485 13.3461 13.3461 14.8323 14.8323 k = 0.3704 0.2138-0.0000 ( 2974 PWs) bands (ev): -66.6914 -66.6914 -33.6350 -33.6350 -33.3494 -33.3494 -33.3444 -33.3444 -3.2771 -3.2771 -1.4182 -1.4182 2.7097 2.7097 3.7843 3.7843 4.3529 4.3529 6.0334 6.0334 7.0682 7.0682 7.7338 7.7338 10.6759 10.6759 13.2399 13.2399 13.3088 13.3088 14.8005 14.8005 k = 0.3796 0.2192-0.0000 ( 2978 PWs) bands (ev): -66.6914 -66.6914 -33.6351 -33.6351 -33.3495 -33.3495 -33.3444 -33.3444 -3.2028 -3.2028 -1.4133 -1.4133 2.6334 2.6334 3.8488 3.8488 4.2764 4.2764 6.0096 6.0096 6.9853 6.9853 7.7167 7.7167 10.6170 10.6170 13.2298 13.2298 13.2753 13.2753 14.7707 14.7707 k = 0.3889 0.2245-0.0000 ( 2974 PWs) bands (ev): -66.6914 -66.6914 -33.6352 -33.6352 -33.3497 -33.3497 -33.3445 -33.3445 -3.1289 -3.1289 -1.4124 -1.4124 2.5639 2.5639 3.8944 3.8944 4.2229 4.2229 5.9875 5.9875 6.9014 6.9014 7.7007 7.7007 10.5627 10.5627 13.2175 13.2175 13.2464 13.2464 14.7430 14.7430 k = 0.3981 0.2299-0.0000 ( 2978 PWs) bands (ev): -66.6914 -66.6914 -33.6353 -33.6353 -33.3498 -33.3498 -33.3445 -33.3445 -3.0558 -3.0558 -1.4156 -1.4156 2.5016 2.5016 3.9032 3.9032 4.2102 4.2102 5.9671 5.9671 6.8170 6.8170 7.6857 7.6857 10.5129 10.5129 13.2011 13.2011 13.2244 13.2244 14.7174 14.7174 k = 0.4074 0.2352-0.0000 ( 2978 PWs) bands (ev): -66.6914 -66.6914 -33.6354 -33.6354 -33.3500 -33.3500 -33.3445 -33.3445 -2.9839 -2.9839 -1.4228 -1.4228 2.4463 2.4463 3.8720 3.8720 4.2418 4.2418 5.9483 5.9483 6.7328 6.7328 7.6720 7.6720 10.4676 10.4676 13.1803 13.1803 13.2095 13.2095 14.6940 14.6940 k = 0.4167 0.2406-0.0000 ( 2980 PWs) bands (ev): -66.6914 -66.6914 -33.6355 -33.6355 -33.3501 -33.3501 -33.3445 -33.3445 -2.9137 -2.9137 -1.4337 -1.4337 2.3980 2.3980 3.8198 3.8198 4.2983 4.2983 5.9313 5.9313 6.6496 6.6496 7.6594 7.6594 10.4267 10.4267 13.1593 13.1593 13.1979 13.1979 14.6727 14.6727 k = 0.4259 0.2459-0.0000 ( 2980 PWs) bands (ev): -66.6914 -66.6914 -33.6355 -33.6355 -33.3502 -33.3502 -33.3446 -33.3446 -2.8460 -2.8460 -1.4480 -1.4480 2.3565 2.3565 3.7616 3.7616 4.3644 4.3644 5.9160 5.9160 6.5681 6.5681 7.6481 7.6481 10.3903 10.3903 13.1399 13.1399 13.1879 13.1879 14.6536 14.6536 k = 0.4352 0.2513-0.0000 ( 2982 PWs) bands (ev): -66.6914 -66.6914 -33.6356 -33.6356 -33.3503 -33.3503 -33.3446 -33.3446 -2.7814 -2.7814 -1.4652 -1.4652 2.3215 2.3215 3.7044 3.7044 4.4329 4.4329 5.9025 5.9025 6.4896 6.4896 7.6380 7.6380 10.3582 10.3582 13.1226 13.1226 13.1789 13.1789 14.6367 14.6367 k = 0.4444 0.2566-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3504 -33.3504 -33.3446 -33.3446 -2.7211 -2.7211 -1.4844 -1.4844 2.2927 2.2927 3.6514 3.6514 4.5001 4.5001 5.8908 5.8908 6.4153 6.4153 7.6293 7.6293 10.3306 10.3306 13.1078 13.1078 13.1710 13.1710 14.6220 14.6220 k = 0.4537 0.2619-0.0000 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3505 -33.3505 -33.3446 -33.3446 -2.6661 -2.6661 -1.5045 -1.5045 2.2696 2.2696 3.6043 3.6043 4.5631 4.5631 5.8808 5.8808 6.3469 6.3469 7.6218 7.6218 10.3072 10.3072 13.0952 13.0952 13.1641 13.1641 14.6096 14.6096 k = 0.4630 0.2673-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3505 -33.3505 -33.3446 -33.3446 -2.6178 -2.6178 -1.5242 -1.5242 2.2516 2.2516 3.5643 3.5643 4.6197 4.6197 5.8726 5.8726 6.2861 6.2861 7.6157 7.6157 10.2881 10.2881 13.0850 13.0850 13.1583 13.1583 14.5994 14.5994 k = 0.4722 0.2726-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.5778 -2.5778 -1.5420 -1.5420 2.2383 2.2383 3.5323 3.5323 4.6675 4.6675 5.8663 5.8663 6.2353 6.2353 7.6109 7.6109 10.2734 10.2734 13.0771 13.0771 13.1538 13.1538 14.5914 14.5914 k = 0.4815 0.2780-0.0000 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.5476 -2.5476 -1.5564 -1.5564 2.2291 2.2291 3.5089 3.5089 4.7039 4.7039 5.8617 5.8617 6.1967 6.1967 7.6075 7.6075 10.2628 10.2628 13.0715 13.0715 13.1505 13.1505 14.5858 14.5858 k = 0.4907 0.2833-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5288 -2.5288 -1.5657 -1.5657 2.2238 2.2238 3.4947 3.4947 4.7268 4.7268 5.8590 5.8590 6.1725 6.1725 7.6055 7.6055 10.2565 10.2565 13.0681 13.0681 13.1485 13.1485 14.5824 14.5824 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5224 -2.5224 -1.5689 -1.5689 2.2221 2.2221 3.4899 3.4899 4.7347 4.7347 5.8581 5.8581 6.1643 6.1643 7.6048 7.6048 10.2544 10.2544 13.0670 13.0670 13.1478 13.1478 14.5812 14.5812 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5224 -2.5224 -1.5689 -1.5689 2.2221 2.2221 3.4899 3.4899 4.7347 4.7347 5.8581 5.8581 6.1643 6.1643 7.6048 7.6048 10.2544 10.2544 13.0670 13.0670 13.1478 13.1478 14.5812 14.5812 k = 0.4948 0.2977-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5215 -2.5215 -1.5686 -1.5686 2.2231 2.2231 3.4907 3.4907 4.7357 4.7357 5.8487 5.8487 6.1662 6.1662 7.5987 7.5987 10.2623 10.2623 13.0624 13.0624 13.1549 13.1549 14.5820 14.5820 k = 0.4896 0.3067-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5188 -2.5188 -1.5678 -1.5678 2.2262 2.2262 3.4932 3.4932 4.7388 4.7388 5.8215 5.8215 6.1715 6.1715 7.5806 7.5806 10.2859 10.2859 13.0488 13.0488 13.1761 13.1761 14.5845 14.5845 k = 0.4844 0.3157-0.0000 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3447 -33.3447 -2.5144 -2.5144 -1.5665 -1.5665 2.2313 2.2313 3.4973 3.4973 4.7440 4.7440 5.7785 5.7785 6.1788 6.1788 7.5508 7.5508 10.3242 10.3242 13.0269 13.0269 13.2110 13.2110 14.5888 14.5888 k = 0.4792 0.3248-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3447 -33.3447 -2.5082 -2.5082 -1.5647 -1.5647 2.2384 2.2384 3.5030 3.5030 4.7512 4.7512 5.7218 5.7218 6.1866 6.1866 7.5098 7.5098 10.3758 10.3758 12.9975 12.9975 13.2590 13.2590 14.5950 14.5950 k = 0.4740 0.3338-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3447 -33.3447 -2.5003 -2.5003 -1.5624 -1.5624 2.2475 2.2475 3.5103 3.5103 4.7605 4.7605 5.6534 5.6534 6.1942 6.1942 7.4584 7.4584 10.4391 10.4391 12.9621 12.9621 13.3194 13.3194 14.6032 14.6032 k = 0.4688 0.3428-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3448 -33.3448 -2.4906 -2.4906 -1.5598 -1.5598 2.2586 2.2586 3.5192 3.5192 4.7719 4.7719 5.5752 5.5752 6.2012 6.2012 7.3974 7.3974 10.5116 10.5116 12.9226 12.9226 13.3910 13.3910 14.6135 14.6135 k = 0.4635 0.3518-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3505 -33.3505 -33.3449 -33.3449 -2.4792 -2.4792 -1.5567 -1.5567 2.2716 2.2716 3.5296 3.5296 4.7853 4.7853 5.4886 5.4886 6.2074 6.2074 7.3278 7.3278 10.5909 10.5909 12.8810 12.8810 13.4730 13.4730 14.6262 14.6262 k = 0.4583 0.3608-0.0000 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3505 -33.3505 -33.3449 -33.3449 -2.4661 -2.4661 -1.5534 -1.5534 2.2866 2.2866 3.5415 3.5415 4.8007 4.8007 5.3950 5.3950 6.2128 6.2128 7.2504 7.2504 10.6739 10.6739 12.8400 12.8400 13.5642 13.5642 14.6412 14.6412 k = 0.4531 0.3699-0.0000 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3505 -33.3505 -33.3450 -33.3450 -2.4513 -2.4513 -1.5498 -1.5498 2.3035 2.3035 3.5548 3.5548 4.8182 4.8182 5.2959 5.2959 6.2173 6.2173 7.1662 7.1662 10.7573 10.7573 12.8026 12.8026 13.6634 13.6634 14.6586 14.6586 k = 0.4479 0.3789-0.0000 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3504 -33.3504 -33.3451 -33.3451 -2.4349 -2.4349 -1.5462 -1.5462 2.3222 2.3222 3.5695 3.5695 4.8377 4.8377 5.1923 5.1923 6.2209 6.2209 7.0763 7.0763 10.8373 10.8373 12.7724 12.7724 13.7693 13.7693 14.6785 14.6785 k = 0.4427 0.3879-0.0000 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3504 -33.3504 -33.3452 -33.3452 -2.4168 -2.4168 -1.5424 -1.5424 2.3426 2.3426 3.5854 3.5854 4.8591 4.8591 5.0856 5.0856 6.2236 6.2236 6.9816 6.9816 10.9098 10.9098 12.7530 12.7530 13.8808 13.8808 14.7008 14.7008 k = 0.4375 0.3969-0.0000 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3504 -33.3504 -33.3453 -33.3453 -2.3971 -2.3971 -1.5388 -1.5388 2.3648 2.3648 3.6025 3.6025 4.8826 4.8826 4.9768 4.9768 6.2252 6.2252 6.8830 6.8830 10.9708 10.9708 12.7485 12.7485 13.9966 13.9966 14.7256 14.7256 k = 0.4323 0.4059-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3503 -33.3503 -33.3454 -33.3454 -2.3758 -2.3758 -1.5354 -1.5354 2.3885 2.3885 3.6207 3.6207 4.8665 4.8665 4.9084 4.9084 6.2257 6.2257 6.7815 6.7815 11.0168 11.0168 12.7622 12.7622 14.1155 14.1155 14.7528 14.7528 k = 0.4271 0.4150-0.0000 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3503 -33.3503 -33.3455 -33.3455 -2.3530 -2.3530 -1.5323 -1.5323 2.4138 2.4138 3.6398 3.6398 4.7566 4.7566 4.9357 4.9357 6.2250 6.2250 6.6777 6.6777 11.0453 11.0453 12.7962 12.7962 14.2362 14.2362 14.7822 14.7822 k = 0.4219 0.4240-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3502 -33.3502 -33.3456 -33.3456 -2.3287 -2.3287 -1.5297 -1.5297 2.4403 2.4403 3.6597 3.6597 4.6472 4.6472 4.9651 4.9651 6.2228 6.2228 6.5726 6.5726 11.0557 11.0557 12.8510 12.8510 14.3574 14.3574 14.8137 14.8137 k = 0.4167 0.4330-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3501 -33.3501 -33.3457 -33.3457 -2.3029 -2.3029 -1.5278 -1.5278 2.4681 2.4681 3.6802 3.6802 4.5395 4.5395 4.9964 4.9964 6.2189 6.2189 6.4668 6.4668 11.0492 11.0492 12.9253 12.9253 14.4775 14.4775 14.8472 14.8472 k = 0.4115 0.4420-0.0000 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3501 -33.3501 -33.3458 -33.3458 -2.2758 -2.2758 -1.5267 -1.5267 2.4970 2.4970 3.7010 3.7010 4.4342 4.4342 5.0297 5.0297 6.2131 6.2131 6.3613 6.3613 11.0281 11.0281 13.0165 13.0165 14.5951 14.5951 14.8824 14.8824 k = 0.4062 0.4511-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6361 -33.6361 -33.3500 -33.3500 -33.3460 -33.3460 -2.2473 -2.2473 -1.5267 -1.5267 2.5265 2.5265 3.7219 3.7219 4.3322 4.3322 5.0648 5.0648 6.2052 6.2052 6.2568 6.2568 10.9956 10.9956 13.1212 13.1212 14.7079 14.7079 14.9190 14.9190 k = 0.4010 0.4601-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6361 -33.6361 -33.3500 -33.3500 -33.3461 -33.3461 -2.2175 -2.2175 -1.5278 -1.5278 2.5566 2.5566 3.7425 3.7425 4.2343 4.2343 5.1018 5.1018 6.1536 6.1536 6.1953 6.1953 10.9548 10.9548 13.2360 13.2360 14.8133 14.8133 14.9567 14.9567 k = 0.3958 0.4691-0.0000 ( 2966 PWs) bands (ev): -66.6912 -66.6912 -33.6361 -33.6361 -33.3499 -33.3499 -33.3462 -33.3462 -2.1865 -2.1865 -1.5304 -1.5304 2.5867 2.5867 3.7626 3.7626 4.1415 4.1415 5.1405 5.1405 6.0534 6.0534 6.1824 6.1824 10.9086 10.9086 13.3576 13.3576 14.9071 14.9071 14.9947 14.9947 k = 0.3906 0.4781-0.0000 ( 2968 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3499 -33.3499 -33.3463 -33.3463 -2.1543 -2.1543 -1.5347 -1.5347 2.6165 2.6165 3.7815 3.7815 4.0546 4.0546 5.1809 5.1809 5.9565 5.9565 6.1668 6.1668 10.8595 10.8595 13.4833 13.4833 14.9832 14.9832 15.0326 15.0326 k = 0.3854 0.4871-0.0000 ( 2966 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3498 -33.3498 -33.3464 -33.3464 -2.1211 -2.1211 -1.5408 -1.5408 2.6454 2.6454 3.7989 3.7989 3.9747 3.9747 5.2230 5.2230 5.8639 5.8639 6.1481 6.1481 10.8096 10.8096 13.6107 13.6107 15.0345 15.0345 15.0695 15.0695 k = 0.3802 0.4962-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3498 -33.3498 -33.3466 -33.3466 -2.0868 -2.0868 -1.5490 -1.5490 2.6728 2.6728 3.8142 3.8142 3.9028 3.9028 5.2664 5.2664 5.7767 5.7767 6.1261 6.1261 10.7605 10.7605 13.7378 13.7378 15.0562 15.0562 15.1045 15.1045 k = 0.3750 0.5052-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3497 -33.3497 -33.3466 -33.3466 -2.0517 -2.0517 -1.5596 -1.5596 2.6980 2.6980 3.8265 3.8265 3.8400 3.8400 5.3109 5.3109 5.6962 5.6962 6.1006 6.1006 10.7137 10.7137 13.8630 13.8630 15.0513 15.0513 15.1365 15.1365 k = 0.3698 0.5142-0.0000 ( 2958 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3496 -33.3496 -33.3467 -33.3467 -2.0158 -2.0158 -1.5728 -1.5728 2.7203 2.7203 3.7873 3.7873 3.8355 3.8355 5.3556 5.3556 5.6242 5.6242 6.0713 6.0713 10.6703 10.6703 13.9848 13.9848 15.0270 15.0270 15.1645 15.1645 k = 0.3646 0.5232-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3468 -33.3468 -1.9792 -1.9792 -1.5887 -1.5887 2.7389 2.7389 3.7460 3.7460 3.8400 3.8400 5.3974 5.3974 5.5647 5.5647 6.0382 6.0382 10.6311 10.6311 14.1023 14.1023 14.9901 14.9901 15.1876 15.1876 k = 0.3594 0.5322-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3469 -33.3469 -1.9420 -1.9420 -1.6076 -1.6076 2.7534 2.7534 3.7167 3.7167 3.8395 3.8395 5.4238 5.4238 5.5314 5.5314 6.0011 6.0011 10.5969 10.5969 14.2144 14.2144 14.9450 14.9450 15.2049 15.2049 k = 0.3542 0.5413-0.0000 ( 2962 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3469 -33.3469 -1.9044 -1.9044 -1.6297 -1.6297 2.7636 2.7636 3.6999 3.6999 3.8335 3.8335 5.4128 5.4128 5.5467 5.5467 5.9599 5.9599 10.5682 10.5682 14.3204 14.3204 14.8943 14.8943 15.2163 15.2163 k = 0.3490 0.5503-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.8664 -1.8664 -1.6550 -1.6550 2.7698 2.7698 3.6955 3.6955 3.8213 3.8213 5.3857 5.3857 5.5902 5.5902 5.9147 5.9147 10.5455 10.5455 14.4193 14.4193 14.8397 14.8397 15.2219 15.2219 k = 0.3438 0.5593-0.0000 ( 2978 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.8283 -1.8283 -1.6839 -1.6839 2.7727 2.7727 3.7029 3.7029 3.8031 3.8031 5.3625 5.3625 5.6420 5.6420 5.8654 5.8654 10.5291 10.5291 14.5103 14.5103 14.7821 14.7821 15.2227 15.2227 k = 0.3385 0.5683-0.0000 ( 2966 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7903 -1.7903 -1.7162 -1.7162 2.7735 2.7735 3.7212 3.7212 3.7788 3.7788 5.3480 5.3480 5.6975 5.6975 5.8123 5.8123 10.5192 10.5192 14.5916 14.5916 14.7223 14.7223 15.2208 15.2208 k = 0.3333 0.5774-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7540 -1.7540 -1.7506 -1.7506 2.7734 2.7734 3.7483 3.7483 3.7499 3.7499 5.3432 5.3432 5.7545 5.7545 5.7562 5.7562 10.5159 10.5159 14.6608 14.6608 14.6608 14.6608 15.2193 15.2193 k = 0.3333 0.5774-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7540 -1.7540 -1.7506 -1.7506 2.7734 2.7734 3.7483 3.7483 3.7499 3.7499 5.3432 5.3432 5.7545 5.7545 5.7562 5.7562 10.5159 10.5159 14.6608 14.6608 14.6608 14.6608 15.2193 15.2193 k = 0.3280 0.5682-0.0000 ( 2968 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7926 -1.7926 -1.7140 -1.7140 2.7739 2.7739 3.7141 3.7141 3.7859 3.7859 5.3481 5.3481 5.6938 5.6938 5.8159 5.8159 10.5193 10.5193 14.5971 14.5971 14.7153 14.7153 15.2225 15.2225 k = 0.3228 0.5590-0.0000 ( 2968 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.8366 -1.8366 -1.6764 -1.6764 2.7762 2.7762 3.6752 3.6752 3.8299 3.8299 5.3621 5.3621 5.6288 5.6288 5.8782 5.8782 10.5295 10.5295 14.5324 14.5324 14.7501 14.7501 15.2353 15.2353 k = 0.3175 0.5499-0.0000 ( 2964 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.8842 -1.8842 -1.6395 -1.6395 2.7813 2.7813 3.6338 3.6338 3.8799 3.8799 5.3846 5.3846 5.5608 5.5608 5.9418 5.9418 10.5465 10.5465 14.4672 14.4672 14.7631 14.7631 15.2606 15.2606 k = 0.3122 0.5407-0.0000 ( 2964 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.9354 -1.9354 -1.6036 -1.6036 2.7902 2.7902 3.5907 3.5907 3.9349 3.9349 5.4147 5.4147 5.4899 5.4899 6.0068 6.0068 10.5700 10.5700 14.4017 14.4017 14.7556 14.7556 15.2971 15.2971 k = 0.3069 0.5315-0.0000 ( 2960 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3469 -33.3469 -1.9899 -1.9899 -1.5689 -1.5689 2.8033 2.8033 3.5473 3.5473 3.9940 3.9940 5.4166 5.4166 5.4515 5.4515 6.0730 6.0730 10.5999 10.5999 14.3363 14.3363 14.7319 14.7319 15.3400 15.3400 k = 0.3016 0.5224-0.0000 ( 2958 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3495 -33.3495 -33.3468 -33.3468 -2.0477 -2.0477 -1.5356 -1.5356 2.8212 2.8212 3.5046 3.5046 4.0563 4.0563 5.3416 5.3416 5.4941 5.4941 6.1402 6.1402 10.6360 10.6360 14.2711 14.2711 14.6966 14.6966 15.3821 15.3821 k = 0.2963 0.5132-0.0000 ( 2958 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3495 -33.3495 -33.3468 -33.3468 -2.1086 -2.1086 -1.5040 -1.5040 2.8441 2.8441 3.4634 3.4634 4.1209 4.1209 5.2653 5.2653 5.5419 5.5419 6.2085 6.2085 10.6779 10.6779 14.2066 14.2066 14.6533 14.6533 15.4134 15.4134 k = 0.2910 0.5040-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3496 -33.3496 -33.3467 -33.3467 -2.1722 -2.1722 -1.4743 -1.4743 2.8721 2.8721 3.4247 3.4247 4.1869 4.1869 5.1887 5.1887 5.5941 5.5941 6.2776 6.2776 10.7256 10.7256 14.1428 14.1428 14.6046 14.6046 15.4212 15.4212 k = 0.2857 0.4949-0.0000 ( 2974 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3496 -33.3496 -33.3466 -33.3466 -2.2384 -2.2384 -1.4467 -1.4467 2.9055 2.9055 3.3893 3.3893 4.2531 4.2531 5.1130 5.1130 5.6504 5.6504 6.3475 6.3475 10.7786 10.7786 14.0801 14.0801 14.5524 14.5524 15.3991 15.3991 k = 0.2804 0.4857-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6361 -33.6361 -33.3496 -33.3496 -33.3465 -33.3465 -2.3068 -2.3068 -1.4215 -1.4215 2.9441 2.9441 3.3578 3.3578 4.3173 4.3173 5.0403 5.0403 5.7101 5.7101 6.4181 6.4181 10.8368 10.8368 14.0188 14.0188 14.4981 14.4981 15.3535 15.3535 k = 0.2751 0.4765-0.0000 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3495 -33.3495 -33.3465 -33.3465 -2.3773 -2.3773 -1.3989 -1.3989 2.9879 2.9879 3.3308 3.3308 4.3761 4.3761 4.9739 4.9739 5.7729 5.7729 6.4891 6.4891 10.8998 10.8998 13.9590 13.9590 14.4427 14.4427 15.2940 15.2940 k = 0.2698 0.4674-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3495 -33.3495 -33.3464 -33.3464 -2.4496 -2.4496 -1.3791 -1.3791 3.0368 3.0368 3.3088 3.3088 4.4231 4.4231 4.9204 4.9204 5.8384 5.8384 6.5606 6.5606 10.9673 10.9673 13.9009 13.9009 14.3870 14.3870 15.2267 15.2267 k = 0.2646 0.4582-0.0000 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3495 -33.3495 -33.3463 -33.3463 -2.5234 -2.5234 -1.3623 -1.3623 3.0906 3.0906 3.2922 3.2922 4.4480 4.4480 4.8901 4.8901 5.9062 5.9062 6.6323 6.6323 11.0391 11.0391 13.8449 13.8449 14.3316 14.3316 15.1546 15.1546 k = 0.2593 0.4491-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3494 -33.3494 -33.3462 -33.3462 -2.5985 -2.5985 -1.3485 -1.3485 3.1492 3.1492 3.2814 3.2814 4.4408 4.4408 4.8930 4.8930 5.9761 5.9761 6.7042 6.7042 11.1149 11.1149 13.7912 13.7912 14.2773 14.2773 15.0797 15.0797 k = 0.2540 0.4399-0.0000 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3494 -33.3494 -33.3461 -33.3461 -2.6746 -2.6746 -1.3380 -1.3380 3.2125 3.2125 3.2768 3.2768 4.4026 4.4026 4.9281 4.9281 6.0478 6.0478 6.7760 6.7760 11.1943 11.1943 13.7399 13.7399 14.2244 14.2244 15.0028 15.0028 k = 0.2487 0.4307-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3493 -33.3493 -33.3460 -33.3460 -2.7515 -2.7515 -1.3309 -1.3309 3.2783 3.2783 3.2805 3.2805 4.3436 4.3436 4.9853 4.9853 6.1211 6.1211 6.8476 6.8476 11.2771 11.2771 13.6912 13.6912 14.1735 14.1735 14.9246 14.9246 k = 0.2434 0.4216-0.0000 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3492 -33.3492 -33.3459 -33.3459 -2.8289 -2.8289 -1.3270 -1.3270 3.2866 3.2866 3.3523 3.3523 4.2728 4.2728 5.0555 5.0555 6.1958 6.1958 6.9189 6.9189 11.3630 11.3630 13.6455 13.6455 14.1251 14.1251 14.8456 14.8456 k = 0.2381 0.4124-0.0000 ( 2974 PWs) bands (ev): -66.6914 -66.6914 -33.6355 -33.6355 -33.3491 -33.3491 -33.3458 -33.3458 -2.9067 -2.9067 -1.3266 -1.3266 3.3014 3.3014 3.4284 3.4284 4.1958 4.1958 5.1333 5.1333 6.2716 6.2716 6.9897 6.9897 11.4515 11.4515 13.6028 13.6028 14.0796 14.0796 14.7661 14.7661 k = 0.2328 0.4032-0.0000 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6354 -33.6354 -33.3490 -33.3490 -33.3457 -33.3457 -2.9847 -2.9847 -1.3295 -1.3295 3.3229 3.3229 3.5084 3.5084 4.1156 4.1156 5.2158 5.2158 6.3483 6.3483 7.0597 7.0597 11.5424 11.5424 13.5634 13.5634 14.0375 14.0375 14.6863 14.6863 k = 0.2275 0.3941-0.0000 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6353 -33.6353 -33.3489 -33.3489 -33.3456 -33.3456 -3.0626 -3.0626 -1.3357 -1.3357 3.3510 3.3510 3.5920 3.5920 4.0338 4.0338 5.3013 5.3013 6.4258 6.4258 7.1289 7.1289 11.6353 11.6353 13.5275 13.5275 13.9993 13.9993 14.6065 14.6065 k = 0.2222 0.3849-0.0000 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6352 -33.6352 -33.3488 -33.3488 -33.3455 -33.3455 -3.1403 -3.1403 -1.3451 -1.3451 3.3857 3.3857 3.6786 3.6786 3.9519 3.9519 5.3888 5.3888 6.5039 6.5039 7.1971 7.1971 11.7296 11.7296 13.4952 13.4952 13.9654 13.9654 14.5268 14.5268 k = 0.2169 0.3757-0.0000 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6351 -33.6351 -33.3487 -33.3487 -33.3454 -33.3454 -3.2176 -3.2176 -1.3574 -1.3574 3.4269 3.4269 3.7649 3.7649 3.8736 3.8736 5.4777 5.4777 6.5823 6.5823 7.2640 7.2640 11.8250 11.8250 13.4667 13.4667 13.9365 13.9365 14.4474 14.4474 k = 0.2116 0.3666-0.0000 ( 2976 PWs) bands (ev): -66.6914 -66.6914 -33.6350 -33.6350 -33.3486 -33.3486 -33.3453 -33.3453 -3.2943 -3.2943 -1.3727 -1.3727 3.4745 3.4745 3.7745 3.7745 3.8755 3.8755 5.5676 5.5676 6.6609 6.6609 7.3294 7.3294 11.9210 11.9210 13.4420 13.4420 13.9132 13.9132 14.3684 14.3684 k = 0.2063 0.3574-0.0000 ( 2974 PWs) bands (ev): -66.6915 -66.6915 -33.6349 -33.6349 -33.3485 -33.3485 -33.3452 -33.3452 -3.3704 -3.3704 -1.3906 -1.3906 3.5282 3.5282 3.6978 3.6978 3.9676 3.9676 5.6580 5.6580 6.7396 6.7396 7.3933 7.3933 12.0168 12.0168 13.4214 13.4214 13.8960 13.8960 14.2899 14.2899 k = 0.2011 0.3482-0.0000 ( 2978 PWs) bands (ev): -66.6915 -66.6915 -33.6348 -33.6348 -33.3483 -33.3483 -33.3450 -33.3450 -3.4457 -3.4457 -1.4109 -1.4109 3.5878 3.5878 3.6176 3.6176 4.0671 4.0671 5.7487 5.7487 6.8181 6.8181 7.4553 7.4553 12.1120 12.1120 13.4049 13.4049 13.8856 13.8856 14.2120 14.2120 k = 0.1958 0.3391-0.0000 ( 2972 PWs) bands (ev): -66.6915 -66.6915 -33.6347 -33.6347 -33.3482 -33.3482 -33.3449 -33.3449 -3.5200 -3.5200 -1.4335 -1.4335 3.5376 3.5376 3.6534 3.6534 4.1700 4.1700 5.8394 5.8394 6.8963 6.8963 7.5154 7.5154 12.2056 12.2056 13.3926 13.3926 13.8828 13.8828 14.1349 14.1349 k = 0.1905 0.3299-0.0000 ( 2972 PWs) bands (ev): -66.6915 -66.6915 -33.6345 -33.6345 -33.3480 -33.3480 -33.3448 -33.3448 -3.5933 -3.5933 -1.4582 -1.4582 3.4587 3.4587 3.7243 3.7243 4.2759 4.2759 5.9299 5.9299 6.9740 6.9740 7.5734 7.5734 12.2971 12.2971 13.3844 13.3844 13.8884 13.8884 14.0586 14.0586 k = 0.1852 0.3208-0.0000 ( 2972 PWs) bands (ev): -66.6915 -66.6915 -33.6344 -33.6344 -33.3479 -33.3479 -33.3447 -33.3447 -3.6655 -3.6655 -1.4845 -1.4845 3.3810 3.3810 3.8006 3.8006 4.3843 4.3843 6.0199 6.0199 7.0509 7.0509 7.6291 7.6291 12.3855 12.3855 13.3803 13.3803 13.9026 13.9026 13.9837 13.9837 k = 0.1799 0.3116-0.0000 ( 2968 PWs) bands (ev): -66.6916 -66.6916 -33.6343 -33.6343 -33.3477 -33.3477 -33.3446 -33.3446 -3.7364 -3.7364 -1.5125 -1.5125 3.3047 3.3047 3.8818 3.8818 4.4953 4.4953 6.1093 6.1093 7.1270 7.1270 7.6824 7.6824 12.4701 12.4701 13.3802 13.3802 13.9038 13.9038 13.9328 13.9328 k = 0.1746 0.3024-0.0000 ( 2964 PWs) bands (ev): -66.6916 -66.6916 -33.6341 -33.6341 -33.3476 -33.3476 -33.3444 -33.3444 -3.8059 -3.8059 -1.5417 -1.5417 3.2299 3.2299 3.9678 3.9678 4.6085 4.6085 6.1978 6.1978 7.2020 7.2020 7.7331 7.7331 12.5501 12.5501 13.3841 13.3841 13.8335 13.8335 13.9649 13.9649 k = 0.1693 0.2933-0.0000 ( 2964 PWs) bands (ev): -66.6916 -66.6916 -33.6340 -33.6340 -33.3474 -33.3474 -33.3443 -33.3443 -3.8740 -3.8740 -1.5721 -1.5721 3.1567 3.1567 4.0582 4.0582 4.7237 4.7237 6.2853 6.2853 7.2758 7.2758 7.7812 7.7812 12.6251 12.6251 13.3916 13.3916 13.7616 13.7616 14.0108 14.0108 k = 0.1640 0.2841-0.0000 ( 2968 PWs) bands (ev): -66.6916 -66.6916 -33.6338 -33.6338 -33.3473 -33.3473 -33.3442 -33.3442 -3.9407 -3.9407 -1.6033 -1.6033 3.0852 3.0852 4.1528 4.1528 4.8409 4.8409 6.3716 6.3716 7.3481 7.3481 7.8266 7.8266 12.6947 12.6947 13.4024 13.4024 13.6909 13.6909 14.0678 14.0678 k = 0.1587 0.2749-0.0000 ( 2962 PWs) bands (ev): -66.6917 -66.6917 -33.6337 -33.6337 -33.3471 -33.3471 -33.3440 -33.3440 -4.0057 -4.0057 -1.6351 -1.6351 3.0154 3.0154 4.2514 4.2514 4.9598 4.9598 6.4565 6.4565 7.4188 7.4188 7.8692 7.8692 12.7588 12.7588 13.4163 13.4163 13.6221 13.6221 14.1356 14.1356 k = 0.1534 0.2658-0.0000 ( 2958 PWs) bands (ev): -66.6917 -66.6917 -33.6335 -33.6335 -33.3470 -33.3470 -33.3438 -33.3438 -4.0691 -4.0691 -1.6674 -1.6674 2.9475 2.9475 4.3536 4.3536 5.0802 5.0802 6.5399 6.5399 7.4877 7.4877 7.9090 7.9090 12.8171 12.8171 13.4327 13.4327 13.5557 13.5557 14.2136 14.2136 k = 0.1481 0.2566-0.0000 ( 2954 PWs) bands (ev): -66.6917 -66.6917 -33.6334 -33.6334 -33.3468 -33.3468 -33.3437 -33.3437 -4.1308 -4.1308 -1.7001 -1.7001 2.8816 2.8816 4.4592 4.4592 5.2020 5.2020 6.6216 6.6216 7.5545 7.5545 7.9461 7.9461 12.8693 12.8693 13.4510 13.4510 13.4929 13.4929 14.3007 14.3007 k = 0.1429 0.2474-0.0000 ( 2964 PWs) bands (ev): -66.6917 -66.6917 -33.6333 -33.6333 -33.3467 -33.3467 -33.3435 -33.3435 -4.1908 -4.1908 -1.7328 -1.7328 2.8175 2.8175 4.5679 4.5679 5.3248 5.3248 6.7016 6.7016 7.6191 7.6191 7.9803 7.9803 12.9144 12.9144 13.4352 13.4352 13.4710 13.4710 14.3960 14.3960 k = 0.1376 0.2383-0.0000 ( 2960 PWs) bands (ev): -66.6918 -66.6918 -33.6331 -33.6331 -33.3466 -33.3466 -33.3434 -33.3434 -4.2489 -4.2489 -1.7654 -1.7654 2.7554 2.7554 4.6796 4.6796 5.4485 5.4485 6.7798 6.7798 7.6812 7.6812 8.0119 8.0119 12.9499 12.9499 13.3867 13.3867 13.4913 13.4913 14.4983 14.4983 k = 0.1323 0.2291-0.0000 ( 2962 PWs) bands (ev): -66.6918 -66.6918 -33.6330 -33.6330 -33.3465 -33.3465 -33.3432 -33.3432 -4.3052 -4.3052 -1.7978 -1.7978 2.6954 2.6954 4.7938 4.7938 5.5728 5.5728 6.8560 6.8560 7.7407 7.7407 8.0409 8.0409 12.9711 12.9711 13.3526 13.3526 13.5115 13.5115 14.6064 14.6064 k = 0.1270 0.2199-0.0000 ( 2966 PWs) bands (ev): -66.6918 -66.6918 -33.6329 -33.6329 -33.3464 -33.3464 -33.3430 -33.3430 -4.3595 -4.3595 -1.8299 -1.8299 2.6375 2.6375 4.9104 4.9104 5.6974 5.6974 6.9304 6.9304 7.7972 7.7972 8.0674 8.0674 12.9719 12.9719 13.3397 13.3397 13.5306 13.5306 14.7189 14.7189 k = 0.1217 0.2108-0.0000 ( 2976 PWs) bands (ev): -66.6918 -66.6918 -33.6328 -33.6328 -33.3463 -33.3463 -33.3429 -33.3429 -4.4119 -4.4119 -1.8614 -1.8614 2.5817 2.5817 5.0290 5.0290 5.8218 5.8218 7.0029 7.0029 7.8505 7.8505 8.0918 8.0918 12.9503 12.9503 13.3507 13.3507 13.5478 13.5478 14.8347 14.8347 k = 0.1164 0.2016-0.0000 ( 2976 PWs) bands (ev): -66.6919 -66.6919 -33.6326 -33.6326 -33.3462 -33.3462 -33.3427 -33.3427 -4.4624 -4.4624 -1.8924 -1.8924 2.5281 2.5281 5.1495 5.1495 5.9458 5.9458 7.0736 7.0736 7.9002 7.9002 8.1142 8.1142 12.9107 12.9107 13.3817 13.3817 13.5621 13.5621 14.9528 14.9528 k = 0.1111 0.1925-0.0000 ( 2984 PWs) bands (ev): -66.6919 -66.6919 -33.6325 -33.6325 -33.3461 -33.3461 -33.3425 -33.3425 -4.5108 -4.5108 -1.9226 -1.9226 2.4766 2.4766 5.2714 5.2714 6.0689 6.0689 7.1426 7.1426 7.9458 7.9458 8.1351 8.1351 12.8596 12.8596 13.4267 13.4267 13.5728 13.5728 15.0717 15.0717 k = 0.1058 0.1833-0.0000 ( 2986 PWs) bands (ev): -66.6919 -66.6919 -33.6324 -33.6324 -33.3461 -33.3461 -33.3423 -33.3423 -4.5571 -4.5571 -1.9520 -1.9520 2.4274 2.4274 5.3947 5.3947 6.1905 6.1905 7.2102 7.2102 7.9868 7.9868 8.1549 8.1549 12.8017 12.8017 13.4813 13.4813 13.5791 13.5791 15.1902 15.1902 k = 0.1005 0.1741-0.0000 ( 2980 PWs) bands (ev): -66.6919 -66.6919 -33.6322 -33.6322 -33.3460 -33.3460 -33.3421 -33.3421 -4.6014 -4.6014 -1.9805 -1.9805 2.3804 2.3804 5.5188 5.5188 6.3099 6.3099 7.2767 7.2767 8.0225 8.0225 8.1745 8.1745 12.7397 12.7397 13.5426 13.5426 13.5805 13.5805 15.3070 15.3070 k = 0.0952 0.1650-0.0000 ( 2979 PWs) bands (ev): -66.6920 -66.6920 -33.6321 -33.6321 -33.3459 -33.3459 -33.3419 -33.3419 -4.6435 -4.6435 -2.0079 -2.0079 2.3357 2.3357 5.6436 5.6436 6.4266 6.4266 7.3425 7.3425 8.0522 8.0522 8.1943 8.1943 12.6751 12.6751 13.5753 13.5753 13.6106 13.6106 15.4204 15.4204 k = 0.0899 0.1558-0.0000 ( 2979 PWs) bands (ev): -66.6920 -66.6920 -33.6320 -33.6320 -33.3458 -33.3458 -33.3418 -33.3418 -4.6835 -4.6835 -2.0343 -2.0343 2.2933 2.2933 5.7687 5.7687 6.5395 6.5395 7.4080 7.4080 8.0755 8.0755 8.2150 8.2150 12.6089 12.6089 13.5653 13.5653 13.6822 13.6822 15.5277 15.5277 k = 0.0847 0.1466-0.0000 ( 2983 PWs) bands (ev): -66.6920 -66.6920 -33.6319 -33.6319 -33.3458 -33.3458 -33.3416 -33.3416 -4.7213 -4.7213 -2.0595 -2.0595 2.2532 2.2532 5.8938 5.8938 6.6478 6.6478 7.4737 7.4737 8.0923 8.0923 8.2363 8.2363 12.5416 12.5416 13.5492 13.5492 13.7582 13.7582 15.5942 15.5942 k = 0.0794 0.1375-0.0000 ( 2983 PWs) bands (ev): -66.6920 -66.6920 -33.6318 -33.6318 -33.3457 -33.3457 -33.3414 -33.3414 -4.7570 -4.7570 -2.0835 -2.0835 2.2155 2.2155 6.0184 6.0184 6.7504 6.7504 7.5404 7.5404 8.1033 8.1033 8.2578 8.2578 12.4737 12.4737 13.5272 13.5272 13.8378 13.8378 15.6428 15.6428 k = 0.0741 0.1283-0.0000 ( 2983 PWs) bands (ev): -66.6920 -66.6920 -33.6317 -33.6317 -33.3457 -33.3457 -33.3413 -33.3413 -4.7904 -4.7904 -2.1062 -2.1062 2.1801 2.1801 6.1423 6.1423 6.8464 6.8464 7.6085 7.6085 8.1091 8.1091 8.2787 8.2787 12.4054 12.4054 13.4996 13.4996 13.9207 13.9207 15.6911 15.6911 k = 0.0688 0.1191-0.0000 ( 2983 PWs) bands (ev): -66.6920 -66.6920 -33.6316 -33.6316 -33.3456 -33.3456 -33.3411 -33.3411 -4.8216 -4.8216 -2.1275 -2.1275 2.1470 2.1470 6.2649 6.2649 6.9348 6.9348 7.6786 7.6786 8.1104 8.1104 8.2983 8.2983 12.3372 12.3372 13.4671 13.4671 14.0062 14.0062 15.6300 15.6300 k = 0.0635 0.1100-0.0000 ( 2979 PWs) bands (ev): -66.6921 -66.6921 -33.6315 -33.6315 -33.3456 -33.3456 -33.3409 -33.3409 -4.8506 -4.8506 -2.1474 -2.1474 2.1164 2.1164 6.3859 6.3859 7.0148 7.0148 7.7506 7.7506 8.1077 8.1077 8.3161 8.3161 12.2694 12.2694 13.4302 13.4302 14.0941 14.0941 15.5372 15.5372 k = 0.0582 0.1008-0.0000 ( 2979 PWs) bands (ev): -66.6921 -66.6921 -33.6314 -33.6314 -33.3456 -33.3456 -33.3408 -33.3408 -4.8773 -4.8773 -2.1659 -2.1659 2.0882 2.0882 6.5048 6.5048 7.0861 7.0861 7.8245 7.8245 8.1012 8.1012 8.3319 8.3319 12.2025 12.2025 13.3899 13.3899 14.1836 14.1836 15.4522 15.4522 k = 0.0529 0.0916-0.0000 ( 2979 PWs) bands (ev): -66.6921 -66.6921 -33.6313 -33.6313 -33.3455 -33.3455 -33.3407 -33.3407 -4.9017 -4.9017 -2.1829 -2.1829 2.0624 2.0624 6.6209 6.6209 7.1487 7.1487 7.8995 7.8995 8.0912 8.0912 8.3455 8.3455 12.1369 12.1369 13.3473 13.3473 14.2744 14.2744 15.3755 15.3755 k = 0.0476 0.0825-0.0000 ( 2975 PWs) bands (ev): -66.6921 -66.6921 -33.6313 -33.6313 -33.3455 -33.3455 -33.3405 -33.3405 -4.9238 -4.9238 -2.1984 -2.1984 2.0390 2.0390 6.7338 6.7338 7.2027 7.2027 7.9745 7.9745 8.0775 8.0775 8.3569 8.3569 12.0735 12.0735 13.3034 13.3034 14.3657 14.3657 15.3073 15.3073 k = 0.0423 0.0733-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6312 -33.6312 -33.3454 -33.3454 -33.3404 -33.3404 -4.9436 -4.9436 -2.2123 -2.2123 2.0180 2.0180 6.8427 6.8427 7.2489 7.2489 8.0475 8.0475 8.0607 8.0607 8.3663 8.3663 12.0128 12.0128 13.2595 13.2595 14.4569 14.4569 15.2474 15.2474 k = 0.0370 0.0642-0.0000 ( 2967 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3403 -33.3403 -4.9611 -4.9611 -2.2247 -2.2247 1.9995 1.9995 6.9470 6.9470 7.2878 7.2878 8.0392 8.0392 8.1188 8.1188 8.3738 8.3738 11.9557 11.9557 13.2170 13.2170 14.5472 14.5472 15.1956 15.1956 k = 0.0317 0.0550-0.0000 ( 2967 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3402 -33.3402 -4.9763 -4.9763 -2.2355 -2.2355 1.9835 1.9835 7.0455 7.0455 7.3200 7.3200 8.0149 8.0149 8.1845 8.1845 8.3797 8.3797 11.9033 11.9033 13.1770 13.1770 14.6360 14.6360 15.1516 15.1516 k = 0.0265 0.0458-0.0000 ( 2975 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3454 -33.3454 -33.3402 -33.3402 -4.9892 -4.9892 -2.2446 -2.2446 1.9698 1.9698 7.1372 7.1372 7.3463 7.3463 7.9877 7.9877 8.2438 8.2438 8.3842 8.3842 11.8564 11.8564 13.1409 13.1409 14.7223 14.7223 15.1151 15.1151 k = 0.0212 0.0367-0.0000 ( 2971 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3454 -33.3454 -33.3401 -33.3401 -4.9998 -4.9998 -2.2521 -2.2521 1.9587 1.9587 7.2203 7.2203 7.3672 7.3672 7.9584 7.9584 8.2949 8.2949 8.3875 8.3875 11.8162 11.8162 13.1097 13.1097 14.8051 14.8051 15.0858 15.0858 k = 0.0159 0.0275-0.0000 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3401 -33.3401 -5.0080 -5.0080 -2.2580 -2.2580 1.9500 1.9500 7.2924 7.2924 7.3831 7.3831 7.9288 7.9288 8.3363 8.3363 8.3898 8.3898 11.7836 11.7836 13.0843 13.0843 14.8830 14.8830 15.0634 15.0634 k = 0.0106 0.0183-0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0138 -5.0138 -2.2621 -2.2621 1.9439 1.9439 7.3498 7.3498 7.3945 7.3945 7.9019 7.9019 8.3667 8.3667 8.3915 8.3915 11.7596 11.7596 13.0656 13.0656 14.9531 14.9531 15.0480 15.0480 k = 0.0053 0.0092-0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0174 -5.0174 -2.2647 -2.2647 1.9401 1.9401 7.3865 7.3865 7.4027 7.4027 7.8823 7.8823 8.3846 8.3846 8.3933 8.3933 11.7449 11.7449 13.0542 13.0542 15.0071 15.0071 15.0408 15.0408 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0185 -5.0185 -2.2655 -2.2655 1.9389 1.9389 7.3966 7.3966 7.4083 7.4083 7.8749 7.8749 8.3891 8.3891 8.3953 8.3953 11.7399 11.7399 13.0503 13.0503 15.0242 15.0242 15.0447 15.0447 k = 0.0000 0.0000 0.0000 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0185 -5.0185 -2.2655 -2.2655 1.9389 1.9389 7.3966 7.3966 7.4083 7.4083 7.8749 7.8749 8.3891 8.3891 8.3953 8.3953 11.7399 11.7399 13.0503 13.0503 15.0242 15.0242 15.0447 15.0447 k = 0.0000 0.0000 0.0104 ( 2991 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0179 -5.0179 -2.2680 -2.2680 1.9436 1.9436 7.3970 7.3970 7.4087 7.4087 7.8672 7.8672 8.3886 8.3886 8.3948 8.3948 11.7450 11.7450 13.0521 13.0521 15.0234 15.0234 15.0439 15.0439 k = 0.0000 0.0000 0.0207 ( 2991 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0159 -5.0159 -2.2755 -2.2755 1.9577 1.9577 7.3981 7.3981 7.4098 7.4098 7.8443 7.8443 8.3871 8.3871 8.3933 8.3933 11.7601 11.7601 13.0575 13.0575 15.0211 15.0211 15.0416 15.0416 k = 0.0000 0.0000 0.0311 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0126 -5.0126 -2.2877 -2.2877 1.9811 1.9811 7.4000 7.4000 7.4117 7.4117 7.8067 7.8067 8.3846 8.3846 8.3908 8.3908 11.7848 11.7848 13.0666 13.0666 15.0174 15.0174 15.0378 15.0378 k = 0.0000 0.0000 0.0415 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0080 -5.0080 -2.3046 -2.3046 2.0136 2.0136 7.4026 7.4026 7.4143 7.4143 7.7551 7.7551 8.3812 8.3812 8.3874 8.3874 11.8180 11.8180 13.0794 13.0794 15.0123 15.0123 15.0327 15.0327 k = 0.0000 0.0000 0.0518 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -5.0021 -5.0021 -2.3258 -2.3258 2.0548 2.0548 7.4060 7.4060 7.4176 7.4176 7.6904 7.6904 8.3768 8.3768 8.3830 8.3830 11.8588 11.8588 13.0958 13.0958 15.0061 15.0061 15.0264 15.0264 k = 0.0000 0.0000 0.0622 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9950 -4.9950 -2.3510 -2.3510 2.1045 2.1045 7.4100 7.4100 7.4216 7.4216 7.6139 7.6139 8.3715 8.3715 8.3777 8.3777 11.9059 11.9059 13.1159 13.1159 14.9990 14.9990 15.0192 15.0192 k = 0.0000 0.0000 0.0726 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9868 -4.9868 -2.3797 -2.3797 2.1622 2.1622 7.4146 7.4146 7.4263 7.4263 7.5266 7.5266 8.3654 8.3654 8.3716 8.3716 11.9580 11.9580 13.1396 13.1396 14.9912 14.9912 15.0112 15.0112 k = 0.0000 0.0000 0.0829 ( 2979 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9774 -4.9774 -2.4115 -2.4115 2.2275 2.2275 7.4198 7.4198 7.4299 7.4299 7.4317 7.4317 8.3584 8.3584 8.3646 8.3646 12.0138 12.0138 13.1670 13.1670 14.9828 14.9828 15.0028 15.0028 k = 0.0000 0.0000 0.0933 ( 2991 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9670 -4.9670 -2.4460 -2.4460 2.3001 2.3001 7.3243 7.3243 7.4258 7.4258 7.4375 7.4375 8.3507 8.3507 8.3569 8.3569 12.0719 12.0719 13.1979 13.1979 14.9742 14.9742 14.9940 14.9940 k = 0.0000 0.0000 0.1037 ( 2997 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9556 -4.9556 -2.4826 -2.4826 2.3794 2.3794 7.2116 7.2116 7.4323 7.4323 7.4440 7.4440 8.3424 8.3424 8.3485 8.3485 12.1312 12.1312 13.2320 13.2320 14.9656 14.9656 14.9852 14.9852 k = 0.0000 0.0000 0.1140 ( 2997 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9434 -4.9434 -2.5209 -2.5209 2.4650 2.4650 7.0924 7.0924 7.4392 7.4392 7.4509 7.4509 8.3334 8.3334 8.3396 8.3396 12.1906 12.1906 13.2692 13.2692 14.9571 14.9571 14.9766 14.9766 k = 0.0000 0.0000 0.1244 ( 2997 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9304 -4.9304 -2.5604 -2.5604 2.5565 2.5565 6.9678 6.9678 7.4465 7.4465 7.4583 7.4583 8.3240 8.3240 8.3301 8.3301 12.2493 12.2493 13.3089 13.3089 14.9489 14.9489 14.9682 14.9682 k = 0.0000 0.0000 0.1348 ( 2997 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9167 -4.9167 -2.6006 -2.6006 2.6534 2.6534 6.8385 6.8385 7.4542 7.4542 7.4660 7.4660 8.3141 8.3141 8.3202 8.3202 12.3065 12.3065 13.3506 13.3506 14.9411 14.9411 14.9604 14.9604 k = 0.0000 0.0000 0.1451 ( 2985 PWs) bands (ev): -66.6922 -66.6922 -33.6310 -33.6310 -33.3454 -33.3454 -33.3400 -33.3400 -4.9026 -4.9026 -2.6411 -2.6411 2.7553 2.7553 6.7052 6.7052 7.4622 7.4622 7.4740 7.4740 8.3040 8.3040 8.3101 8.3101 12.3615 12.3615 13.3936 13.3936 14.9340 14.9340 14.9531 14.9531 k = 0.0000 0.0000 0.1555 ( 2973 PWs) bands (ev): -66.6922 -66.6922 -33.6309 -33.6309 -33.3454 -33.3454 -33.3400 -33.3400 -4.8881 -4.8881 -2.6813 -2.6813 2.8617 2.8617 6.5689 6.5689 7.4704 7.4704 7.4822 7.4822 8.2936 8.2936 8.2997 8.2997 12.4140 12.4140 13.4371 13.4371 14.9276 14.9276 14.9464 14.9464 k = 0.0000 0.0000 0.1659 ( 2973 PWs) bands (ev): -66.6922 -66.6922 -33.6309 -33.6309 -33.3454 -33.3454 -33.3400 -33.3400 -4.8734 -4.8734 -2.7209 -2.7209 2.9724 2.9724 6.4299 6.4299 7.4786 7.4786 7.4905 7.4905 8.2832 8.2832 8.2892 8.2892 12.4637 12.4637 13.4801 13.4801 14.9218 14.9218 14.9405 14.9405 k = 0.0000 0.0000 0.1762 ( 2967 PWs) bands (ev): -66.6922 -66.6922 -33.6309 -33.6309 -33.3454 -33.3454 -33.3400 -33.3400 -4.8587 -4.8587 -2.7594 -2.7594 3.0867 3.0867 6.2890 6.2890 7.4869 7.4869 7.4988 7.4988 8.2728 8.2728 8.2788 8.2788 12.5103 12.5103 13.5217 13.5217 14.9169 14.9169 14.9354 14.9354 k = 0.0000 0.0000 0.1866 ( 2967 PWs) bands (ev): -66.6922 -66.6922 -33.6309 -33.6309 -33.3454 -33.3454 -33.3400 -33.3400 -4.8442 -4.8442 -2.7963 -2.7963 3.2043 3.2043 6.1467 6.1467 7.4950 7.4950 7.5069 7.5069 8.2626 8.2626 8.2686 8.2686 12.5536 12.5536 13.5608 13.5608 14.9127 14.9127 14.9310 14.9310 k = 0.0000 0.0000 0.1970 ( 2967 PWs) bands (ev): -66.6922 -66.6922 -33.6309 -33.6309 -33.3454 -33.3454 -33.3400 -33.3400 -4.8302 -4.8302 -2.8313 -2.8313 3.3248 3.3248 6.0037 6.0037 7.5030 7.5030 7.5149 7.5149 8.2527 8.2527 8.2587 8.2587 12.5936 12.5936 13.5967 13.5967 14.9092 14.9092 14.9273 14.9273 k = 0.0000 0.0000 0.2073 ( 2955 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3399 -33.3399 -4.8167 -4.8167 -2.8639 -2.8639 3.4474 3.4474 5.8606 5.8606 7.5105 7.5105 7.5225 7.5225 8.2433 8.2433 8.2493 8.2493 12.6300 12.6300 13.6287 13.6287 14.9065 14.9065 14.9244 14.9244 k = 0.0000 0.0000 0.2177 ( 2931 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3399 -33.3399 -4.8041 -4.8041 -2.8938 -2.8938 3.5717 3.5717 5.7182 5.7182 7.5176 7.5176 7.5297 7.5297 8.2346 8.2346 8.2406 8.2406 12.6629 12.6629 13.6563 13.6563 14.9044 14.9044 14.9221 14.9221 k = 0.0000 0.0000 0.2281 ( 2943 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3399 -33.3399 -4.7926 -4.7926 -2.9205 -2.9205 3.6967 3.6967 5.5773 5.5773 7.5241 7.5241 7.5362 7.5362 8.2266 8.2266 8.2326 8.2326 12.6920 12.6920 13.6794 13.6794 14.9028 14.9028 14.9204 14.9204 k = 0.0000 0.0000 0.2384 ( 2943 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3399 -33.3399 -4.7823 -4.7823 -2.9438 -2.9438 3.8210 3.8210 5.4395 5.4395 7.5299 7.5299 7.5420 7.5420 8.2196 8.2196 8.2255 8.2255 12.7171 12.7171 13.6979 13.6979 14.9017 14.9017 14.9191 14.9191 k = 0.0000 0.0000 0.2488 ( 2949 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7736 -4.7736 -2.9633 -2.9633 3.9426 3.9426 5.3068 5.3068 7.5348 7.5348 7.5469 7.5469 8.2136 8.2136 8.2195 8.2195 12.7380 12.7380 13.7123 13.7123 14.9009 14.9009 14.9183 14.9183 k = 0.0000 0.0000 0.2592 ( 2948 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7667 -4.7667 -2.9788 -2.9788 4.0577 4.0577 5.1830 5.1830 7.5387 7.5387 7.5508 7.5508 8.2088 8.2088 8.2147 8.2147 12.7545 12.7545 13.7228 13.7228 14.9005 14.9005 14.9177 14.9177 k = 0.0000 0.0000 0.2695 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7615 -4.7615 -2.9901 -2.9901 4.1593 4.1593 5.0752 5.0752 7.5416 7.5416 7.5537 7.5537 8.2053 8.2053 8.2112 8.2112 12.7665 12.7665 13.7299 13.7299 14.9002 14.9002 14.9173 14.9173 k = 0.0000 0.0000 0.2799 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7584 -4.7584 -2.9969 -2.9969 4.2341 4.2341 4.9966 4.9966 7.5434 7.5434 7.5555 7.5555 8.2032 8.2032 8.2090 8.2090 12.7737 12.7737 13.7340 13.7340 14.9001 14.9001 14.9172 14.9172 k = 0.0000 0.0000 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7574 -4.7574 -2.9991 -2.9991 4.2628 4.2628 4.9667 4.9667 7.5440 7.5440 7.5561 7.5561 8.2025 8.2025 8.2083 8.2083 12.7762 12.7762 13.7353 13.7353 14.9000 14.9000 14.9171 14.9171 k = 0.0000 0.0000 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7574 -4.7574 -2.9991 -2.9991 4.2628 4.2628 4.9667 4.9667 7.5440 7.5440 7.5561 7.5561 8.2025 8.2025 8.2083 8.2083 12.7762 12.7762 13.7353 13.7353 14.9000 14.9000 14.9171 14.9171 k = 0.0093 0.0053 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7562 -4.7562 -2.9981 -2.9981 4.2636 4.2636 4.9662 4.9662 7.5404 7.5404 7.5528 7.5528 8.1980 8.1980 8.2060 8.2060 12.7820 12.7820 13.7400 13.7400 14.8876 14.8876 14.9148 14.9148 k = 0.0185 0.0107 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7527 -4.7527 -2.9950 -2.9950 4.2663 4.2663 4.9647 4.9647 7.5283 7.5283 7.5443 7.5443 8.1804 8.1804 8.2034 8.2034 12.7991 12.7991 13.7539 13.7539 14.8399 14.8399 14.9228 14.9229 k = 0.0278 0.0160 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7469 -4.7469 -2.9899 -2.9899 4.2707 4.2707 4.9622 4.9622 7.5061 7.5061 7.5324 7.5324 8.1503 8.1503 8.2002 8.2002 12.8270 12.8270 13.7764 13.7764 14.7680 14.7680 14.9392 14.9392 k = 0.0370 0.0214 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3401 -33.3401 -4.7387 -4.7387 -2.9827 -2.9827 4.2768 4.2768 4.9585 4.9585 7.4744 7.4744 7.5173 7.5173 8.1087 8.1087 8.1959 8.1959 12.8648 12.8648 13.8066 13.8066 14.6825 14.6825 14.9625 14.9625 k = 0.0463 0.0267 0.2903 ( 2946 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3401 -33.3401 -4.7282 -4.7282 -2.9735 -2.9735 4.2846 4.2846 4.9535 4.9535 7.4341 7.4341 7.4987 7.4987 8.0567 8.0567 8.1902 8.1902 12.9112 12.9112 13.8428 13.8428 14.5905 14.5905 14.9924 14.9924 k = 0.0556 0.0321 0.2903 ( 2946 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3402 -33.3402 -4.7154 -4.7154 -2.9622 -2.9622 4.2941 4.2941 4.9468 4.9468 7.3861 7.3861 7.4766 7.4766 7.9950 7.9950 8.1831 8.1831 12.9643 12.9643 13.8817 13.8817 14.4989 14.4989 15.0286 15.0286 k = 0.0648 0.0374 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3403 -33.3403 -4.7002 -4.7002 -2.9490 -2.9490 4.3052 4.3052 4.9383 4.9383 7.3312 7.3312 7.4514 7.4514 7.9248 7.9248 8.1745 8.1745 13.0222 13.0222 13.9171 13.9171 14.4159 14.4159 15.0071 15.0071 k = 0.0741 0.0428 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3404 -33.3404 -4.6828 -4.6828 -2.9337 -2.9337 4.3180 4.3180 4.9277 4.9277 7.2703 7.2703 7.4231 7.4231 7.8470 7.8470 8.1644 8.1644 13.0819 13.0819 13.9375 13.9375 14.3545 14.3545 14.9292 14.9292 k = 0.0833 0.0481 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6312 -33.6312 -33.3454 -33.3454 -33.3405 -33.3405 -4.6630 -4.6630 -2.9165 -2.9165 4.3324 4.3324 4.9144 4.9144 7.2044 7.2044 7.3921 7.3921 7.7628 7.7628 8.1527 8.1527 13.1398 13.1398 13.9282 13.9282 14.3309 14.3309 14.8528 14.8528 k = 0.0926 0.0535 0.2903 ( 2956 PWs) bands (ev): -66.6921 -66.6921 -33.6313 -33.6313 -33.3454 -33.3454 -33.3407 -33.3407 -4.6410 -4.6410 -2.8973 -2.8973 4.3482 4.3482 4.8980 4.8980 7.1345 7.1345 7.3587 7.3587 7.6732 7.6732 8.1394 8.1394 13.1904 13.1904 13.8875 13.8875 14.3472 14.3472 14.7815 14.7815 k = 0.1019 0.0588 0.2903 ( 2952 PWs) bands (ev): -66.6921 -66.6921 -33.6314 -33.6314 -33.3455 -33.3455 -33.3408 -33.3408 -4.6167 -4.6167 -2.8761 -2.8761 4.3655 4.3655 4.8781 4.8781 7.0614 7.0614 7.3231 7.3231 7.5794 7.5794 8.1244 8.1244 13.2261 13.2261 13.8333 13.8333 14.3850 14.3850 14.7227 14.7227 k = 0.1111 0.0642 0.2903 ( 2948 PWs) bands (ev): -66.6920 -66.6920 -33.6314 -33.6314 -33.3455 -33.3455 -33.3409 -33.3409 -4.5901 -4.5901 -2.8531 -2.8531 4.3841 4.3841 4.8541 4.8541 6.9860 6.9860 7.2857 7.2857 7.4824 7.4824 8.1079 8.1079 13.2372 13.2372 13.7848 13.7848 14.4173 14.4173 14.6918 14.6918 k = 0.1204 0.0695 0.2903 ( 2956 PWs) bands (ev): -66.6920 -66.6920 -33.6316 -33.6316 -33.3456 -33.3456 -33.3411 -33.3411 -4.5613 -4.5613 -2.8282 -2.8282 4.4039 4.4039 4.8253 4.8253 6.9092 6.9092 7.2466 7.2466 7.3834 7.3834 8.0898 8.0898 13.2157 13.2157 13.7528 13.7528 14.4198 14.4198 14.7079 14.7079 k = 0.1296 0.0748 0.2903 ( 2952 PWs) bands (ev): -66.6920 -66.6920 -33.6316 -33.6316 -33.3456 -33.3456 -33.3412 -33.3412 -4.5303 -4.5303 -2.8015 -2.8015 4.4249 4.4249 4.7913 4.7913 6.8316 6.8316 7.2061 7.2061 7.2839 7.2839 8.0703 8.0703 13.1624 13.1624 13.7353 13.7353 14.3968 14.3968 14.7653 14.7653 k = 0.1389 0.0802 0.2903 ( 2948 PWs) bands (ev): -66.6920 -66.6920 -33.6317 -33.6317 -33.3456 -33.3456 -33.3414 -33.3414 -4.4970 -4.4970 -2.7730 -2.7730 4.4468 4.4468 4.7513 4.7513 6.7532 6.7532 7.1643 7.1643 7.1856 7.1856 8.0493 8.0493 13.0856 13.0856 13.7207 13.7207 14.3697 14.3697 14.8424 14.8424 k = 0.1481 0.0855 0.2903 ( 2948 PWs) bands (ev): -66.6920 -66.6920 -33.6318 -33.6318 -33.3457 -33.3457 -33.3416 -33.3416 -4.4616 -4.4616 -2.7427 -2.7427 4.4693 4.4693 4.7050 4.7050 6.6742 6.6742 7.0894 7.0894 7.1221 7.1221 8.0270 8.0270 12.9944 12.9944 13.6975 13.6975 14.3502 14.3502 14.9259 14.9259 k = 0.1574 0.0909 0.2903 ( 2952 PWs) bands (ev): -66.6920 -66.6920 -33.6320 -33.6320 -33.3458 -33.3458 -33.3418 -33.3418 -4.4240 -4.4240 -2.7107 -2.7107 4.4923 4.4923 4.6521 4.6521 6.5937 6.5937 6.9987 6.9987 7.0787 7.0787 8.0035 8.0035 12.8951 12.8951 13.6599 13.6599 14.3405 14.3405 15.0081 15.0081 k = 0.1667 0.0962 0.2903 ( 2950 PWs) bands (ev): -66.6919 -66.6919 -33.6321 -33.6321 -33.3458 -33.3458 -33.3419 -33.3419 -4.3843 -4.3843 -2.6771 -2.6771 4.5148 4.5148 4.5927 4.5927 6.5111 6.5111 6.9150 6.9150 7.0349 7.0349 7.9789 7.9789 12.7913 12.7913 13.6079 13.6079 14.3369 14.3369 15.0837 15.0837 k = 0.1759 0.1016 0.2903 ( 2950 PWs) bands (ev): -66.6919 -66.6919 -33.6322 -33.6322 -33.3459 -33.3459 -33.3421 -33.3421 -4.3425 -4.3425 -2.6420 -2.6420 4.5178 4.5178 4.5454 4.5454 6.4255 6.4255 6.8406 6.8406 6.9908 6.9908 7.9534 7.9534 12.6855 12.6855 13.5443 13.5443 14.3338 14.3338 15.1478 15.1478 k = 0.1852 0.1069 0.2903 ( 2958 PWs) bands (ev): -66.6919 -66.6919 -33.6323 -33.6323 -33.3460 -33.3460 -33.3423 -33.3423 -4.2986 -4.2986 -2.6053 -2.6053 4.4482 4.4482 4.5630 4.5630 6.3366 6.3366 6.7766 6.7766 6.9465 6.9465 7.9270 7.9270 12.5788 12.5788 13.4727 13.4727 14.3258 14.3258 15.1964 15.1964 k = 0.1944 0.1123 0.2903 ( 2966 PWs) bands (ev): -66.6919 -66.6919 -33.6325 -33.6325 -33.3461 -33.3461 -33.3425 -33.3425 -4.2527 -4.2527 -2.5672 -2.5672 4.3677 4.3677 4.5835 4.5835 6.2449 6.2449 6.7237 6.7237 6.9021 6.9021 7.8999 7.8999 12.4722 12.4722 13.3959 13.3959 14.3097 14.3097 15.2268 15.2268 k = 0.2037 0.1176 0.2903 ( 2958 PWs) bands (ev): -66.6918 -66.6918 -33.6326 -33.6326 -33.3462 -33.3462 -33.3426 -33.3426 -4.2047 -4.2047 -2.5277 -2.5277 4.2806 4.2806 4.6020 4.6020 6.1519 6.1519 6.6813 6.6813 6.8580 6.8580 7.8722 7.8722 12.3662 12.3662 13.3160 13.3160 14.2838 14.2838 15.2380 15.2380 k = 0.2130 0.1230 0.2903 ( 2962 PWs) bands (ev): -66.6918 -66.6918 -33.6328 -33.6328 -33.3464 -33.3464 -33.3428 -33.3428 -4.1548 -4.1548 -2.4870 -2.4870 4.1877 4.1877 4.6171 4.6171 6.0596 6.0596 6.6486 6.6486 6.8141 6.8141 7.8441 7.8441 12.2610 12.2610 13.2346 13.2346 14.2479 14.2479 15.2307 15.2307 k = 0.2222 0.1283 0.2903 ( 2962 PWs) bands (ev): -66.6918 -66.6918 -33.6329 -33.6329 -33.3465 -33.3465 -33.3430 -33.3430 -4.1030 -4.1030 -2.4451 -2.4451 4.0899 4.0899 4.6273 4.6273 5.9703 5.9703 6.6242 6.6242 6.7706 6.7706 7.8157 7.8157 12.1571 12.1571 13.1529 13.1529 14.2029 14.2029 15.2068 15.2068 k = 0.2315 0.1336 0.2903 ( 2966 PWs) bands (ev): -66.6918 -66.6918 -33.6330 -33.6330 -33.3466 -33.3466 -33.3431 -33.3431 -4.0494 -4.0494 -2.4022 -2.4022 3.9878 3.9878 4.6308 4.6308 5.8868 5.8868 6.6072 6.6072 6.7277 6.7277 7.7870 7.7870 12.0543 12.0543 13.0716 13.0716 14.1502 14.1502 15.1686 15.1686 k = 0.2407 0.1390 0.2903 ( 2964 PWs) bands (ev): -66.6918 -66.6918 -33.6332 -33.6332 -33.3468 -33.3468 -33.3433 -33.3433 -3.9939 -3.9939 -2.3583 -2.3583 3.8822 3.8822 4.6256 4.6256 5.8117 5.8117 6.5964 6.5964 6.6854 6.6854 7.7583 7.7583 11.9530 11.9530 12.9916 12.9916 14.0913 14.0913 15.1187 15.1187 k = 0.2500 0.1443 0.2903 ( 2970 PWs) bands (ev): -66.6917 -66.6917 -33.6333 -33.6333 -33.3469 -33.3469 -33.3434 -33.3434 -3.9367 -3.9367 -2.3137 -2.3137 3.7739 3.7739 4.6093 4.6093 5.7478 5.7478 6.5910 6.5910 6.6439 6.6439 7.7296 7.7296 11.8530 11.8530 12.9134 12.9134 14.0276 14.0276 15.0591 15.0591 k = 0.2593 0.1497 0.2903 ( 2966 PWs) bands (ev): -66.6917 -66.6917 -33.6335 -33.6335 -33.3471 -33.3471 -33.3435 -33.3435 -3.8778 -3.8778 -2.2684 -2.2684 3.6636 3.6636 4.5802 4.5802 5.6975 5.6975 6.5899 6.5899 6.6033 6.6033 7.7011 7.7011 11.7545 11.7545 12.8374 12.8374 13.9607 13.9607 14.9917 14.9917 k = 0.2685 0.1550 0.2903 ( 2970 PWs) bands (ev): -66.6917 -66.6917 -33.6336 -33.6336 -33.3473 -33.3473 -33.3436 -33.3436 -3.8172 -3.8172 -2.2227 -2.2227 3.5520 3.5520 4.5372 4.5372 5.6621 5.6621 6.5634 6.5634 6.5928 6.5928 7.6728 7.6728 11.6573 11.6573 12.7641 12.7641 13.8916 13.8916 14.9179 14.9179 k = 0.2778 0.1604 0.2903 ( 2970 PWs) bands (ev): -66.6917 -66.6917 -33.6337 -33.6337 -33.3475 -33.3475 -33.3437 -33.3437 -3.7552 -3.7552 -2.1767 -2.1767 3.4398 3.4398 4.4804 4.4804 5.6418 5.6418 6.5247 6.5247 6.5986 6.5986 7.6449 7.6449 11.5616 11.5616 12.6938 12.6938 13.8214 13.8214 14.8391 14.8391 k = 0.2870 0.1657 0.2903 ( 2972 PWs) bands (ev): -66.6916 -66.6916 -33.6339 -33.6339 -33.3477 -33.3477 -33.3438 -33.3438 -3.6917 -3.6917 -2.1307 -2.1307 3.3277 3.3277 4.4111 4.4111 5.6355 5.6355 6.4870 6.4870 6.6070 6.6070 7.6175 7.6175 11.4673 11.4673 12.6270 12.6270 13.7509 13.7509 14.7562 14.7562 k = 0.2963 0.1711 0.2903 ( 2964 PWs) bands (ev): -66.6916 -66.6916 -33.6340 -33.6340 -33.3478 -33.3478 -33.3439 -33.3439 -3.6269 -3.6269 -2.0848 -2.0848 3.2162 3.2162 4.3312 4.3312 5.6416 5.6416 6.4506 6.4506 6.6173 6.6173 7.5906 7.5906 11.3745 11.3745 12.5638 12.5638 13.6808 13.6808 14.6701 14.6701 k = 0.3056 0.1764 0.2903 ( 2964 PWs) bands (ev): -66.6916 -66.6916 -33.6341 -33.6341 -33.3480 -33.3480 -33.3440 -33.3440 -3.5608 -3.5608 -2.0393 -2.0393 3.1060 3.1060 4.2430 4.2430 5.6579 5.6579 6.4153 6.4153 6.6290 6.6290 7.5643 7.5643 11.2831 11.2831 12.5047 12.5047 13.6118 13.6118 14.5815 14.5815 k = 0.3148 0.1818 0.2903 ( 2960 PWs) bands (ev): -66.6916 -66.6916 -33.6343 -33.6343 -33.3482 -33.3482 -33.3441 -33.3441 -3.4937 -3.4937 -1.9945 -1.9945 2.9976 2.9976 4.1486 4.1486 5.6825 5.6825 6.3813 6.3813 6.6418 6.6418 7.5388 7.5388 11.1932 11.1932 12.4498 12.4498 13.5443 13.5443 14.4912 14.4912 k = 0.3241 0.1871 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6344 -33.6344 -33.3484 -33.3484 -33.3441 -33.3441 -3.4256 -3.4256 -1.9507 -1.9507 2.8917 2.8917 4.0499 4.0499 5.7135 5.7135 6.3487 6.3487 6.6552 6.6552 7.5141 7.5141 11.1050 11.1050 12.3994 12.3994 13.4788 13.4788 14.3997 14.3997 k = 0.3333 0.1925 0.2903 ( 2960 PWs) bands (ev): -66.6915 -66.6915 -33.6345 -33.6345 -33.3486 -33.3486 -33.3442 -33.3442 -3.3566 -3.3566 -1.9081 -1.9081 2.7887 2.7887 3.9485 3.9485 5.7498 5.7498 6.3175 6.3175 6.6689 6.6689 7.4903 7.4903 11.0185 11.0185 12.3536 12.3536 13.4155 13.4155 14.3075 14.3075 k = 0.3426 0.1978 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6347 -33.6347 -33.3488 -33.3488 -33.3442 -33.3442 -3.2870 -3.2870 -1.8671 -1.8671 2.6893 2.6893 3.8455 3.8455 5.7899 5.7899 6.2877 6.2877 6.6824 6.6824 7.4674 7.4674 10.9340 10.9340 12.3125 12.3125 13.3549 13.3549 14.2152 14.2152 k = 0.3519 0.2031 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6348 -33.6348 -33.3490 -33.3490 -33.3443 -33.3443 -3.2170 -3.2170 -1.8282 -1.8282 2.5940 2.5940 3.7421 3.7421 5.8332 5.8332 6.2595 6.2595 6.6955 6.6955 7.4454 7.4454 10.8516 10.8516 12.2763 12.2763 13.2970 13.2970 14.1233 14.1233 k = 0.3611 0.2085 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6349 -33.6349 -33.3492 -33.3492 -33.3443 -33.3443 -3.1468 -3.1468 -1.7915 -1.7915 2.5033 2.5033 3.6391 3.6391 5.8787 5.8787 6.2327 6.2327 6.7078 6.7078 7.4246 7.4246 10.7716 10.7716 12.2449 12.2449 13.2421 13.2421 14.0321 14.0321 k = 0.3704 0.2138 0.2903 ( 2968 PWs) bands (ev): -66.6914 -66.6914 -33.6350 -33.6350 -33.3493 -33.3493 -33.3444 -33.3444 -3.0766 -3.0766 -1.7576 -1.7576 2.4177 2.4177 3.5373 3.5373 5.9258 5.9258 6.2075 6.2075 6.7191 6.7191 7.4048 7.4048 10.6942 10.6942 12.2183 12.2183 13.1904 13.1904 13.9422 13.9422 k = 0.3796 0.2192 0.2903 ( 2968 PWs) bands (ev): -66.6914 -66.6914 -33.6351 -33.6351 -33.3495 -33.3495 -33.3444 -33.3444 -3.0067 -3.0067 -1.7268 -1.7268 2.3378 2.3378 3.4374 3.4374 5.9740 5.9740 6.1840 6.1840 6.7291 6.7291 7.3863 7.3863 10.6198 10.6198 12.1966 12.1966 13.1419 13.1419 13.8541 13.8541 k = 0.3889 0.2245 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6352 -33.6352 -33.3497 -33.3497 -33.3445 -33.3445 -2.9375 -2.9375 -1.6993 -1.6993 2.2639 2.2639 3.3401 3.3401 6.0226 6.0226 6.1620 6.1620 6.7375 6.7375 7.3689 7.3689 10.5487 10.5487 12.1794 12.1794 13.0968 13.0968 13.7682 13.7682 k = 0.3981 0.2299 0.2903 ( 2982 PWs) bands (ev): -66.6914 -66.6914 -33.6353 -33.6353 -33.3499 -33.3499 -33.3445 -33.3445 -2.8694 -2.8694 -1.6756 -1.6756 2.1966 2.1966 3.2459 3.2459 6.0713 6.0713 6.1418 6.1418 6.7441 6.7441 7.3527 7.3527 10.4812 10.4812 12.1668 12.1668 13.0551 13.0551 13.6851 13.6851 k = 0.4074 0.2352 0.2903 ( 2978 PWs) bands (ev): -66.6914 -66.6914 -33.6354 -33.6354 -33.3500 -33.3500 -33.3445 -33.3445 -2.8028 -2.8028 -1.6557 -1.6557 2.1361 2.1361 3.1557 3.1557 6.1179 6.1179 6.1250 6.1250 6.7488 6.7488 7.3379 7.3379 10.4178 10.4178 12.1584 12.1584 13.0170 13.0170 13.6052 13.6052 k = 0.4167 0.2406 0.2903 ( 2970 PWs) bands (ev): -66.6914 -66.6914 -33.6354 -33.6354 -33.3501 -33.3501 -33.3445 -33.3445 -2.7382 -2.7382 -1.6400 -1.6400 2.0826 2.0826 3.0700 3.0700 6.1060 6.1060 6.1675 6.1675 6.7515 6.7515 7.3244 7.3244 10.3588 10.3588 12.1538 12.1538 12.9823 12.9823 13.5292 13.5292 k = 0.4259 0.2459 0.2903 ( 2970 PWs) bands (ev): -66.6914 -66.6914 -33.6355 -33.6355 -33.3502 -33.3502 -33.3446 -33.3446 -2.6764 -2.6764 -1.6282 -1.6282 2.0364 2.0364 2.9896 2.9896 6.0909 6.0909 6.2135 6.2135 6.7519 6.7519 7.3122 7.3122 10.3047 10.3047 12.1527 12.1527 12.9513 12.9513 13.4577 13.4577 k = 0.4352 0.2513 0.2903 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3503 -33.3503 -33.3446 -33.3446 -2.6179 -2.6179 -1.6204 -1.6204 1.9972 1.9972 2.9153 2.9153 6.0775 6.0775 6.2576 6.2576 6.7502 6.7502 7.3014 7.3014 10.2558 10.2558 12.1544 12.1544 12.9239 12.9239 13.3914 13.3914 k = 0.4444 0.2566 0.2903 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3504 -33.3504 -33.3446 -33.3446 -2.5638 -2.5638 -1.6162 -1.6162 1.9650 1.9650 2.8479 2.8479 6.0659 6.0659 6.2993 6.2993 6.7465 6.7465 7.2920 7.2920 10.2125 10.2125 12.1585 12.1585 12.9001 12.9001 13.3311 13.3311 k = 0.4537 0.2619 0.2903 ( 2958 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3504 -33.3504 -33.3446 -33.3446 -2.5149 -2.5149 -1.6149 -1.6149 1.9394 1.9394 2.7884 2.7884 6.0560 6.0560 6.3376 6.3376 6.7410 6.7410 7.2840 7.2840 10.1752 10.1752 12.1642 12.1642 12.8800 12.8800 13.2776 13.2776 k = 0.4630 0.2673 0.2903 ( 2958 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3505 -33.3505 -33.3446 -33.3446 -2.4725 -2.4725 -1.6159 -1.6159 1.9198 1.9198 2.7377 2.7377 6.0479 6.0479 6.3719 6.3719 6.7342 6.7342 7.2774 7.2774 10.1442 10.1442 12.1706 12.1706 12.8635 12.8635 13.2319 13.2319 k = 0.4722 0.2726 0.2903 ( 2950 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.4377 -2.4377 -1.6182 -1.6182 1.9056 1.9056 2.6969 2.6969 6.0416 6.0416 6.4010 6.4010 6.7269 6.7269 7.2723 7.2723 10.1197 10.1197 12.1768 12.1768 12.8507 12.8507 13.1950 13.1950 k = 0.4815 0.2780 0.2903 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.4117 -2.4117 -1.6208 -1.6208 1.8961 1.8961 2.6669 2.6669 6.0371 6.0371 6.4235 6.4235 6.7201 6.7201 7.2686 7.2686 10.1021 10.1021 12.1821 12.1821 12.8416 12.8416 13.1678 13.1678 k = 0.4907 0.2833 0.2903 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3956 -2.3956 -1.6228 -1.6228 1.8907 1.8907 2.6486 2.6486 6.0343 6.0343 6.4379 6.4379 6.7152 6.7152 7.2664 7.2664 10.0914 10.0914 12.1856 12.1856 12.8361 12.8361 13.1511 13.1511 k = 0.5000 0.2887 0.2903 ( 2960 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3901 -2.3901 -1.6236 -1.6236 1.8890 1.8890 2.6424 2.6424 6.0334 6.0334 6.4428 6.4428 6.7134 6.7134 7.2657 7.2657 10.0879 10.0879 12.1868 12.1868 12.8343 12.8343 13.1455 13.1455 k = 0.5000 0.2887 0.2903 ( 2960 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3901 -2.3901 -1.6236 -1.6236 1.8890 1.8890 2.6424 2.6424 6.0334 6.0334 6.4428 6.4428 6.7134 6.7134 7.2657 7.2657 10.0879 10.0879 12.1868 12.1868 12.8343 12.8343 13.1455 13.1455 k = 0.4948 0.2977 0.2903 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3893 -2.3893 -1.6233 -1.6233 1.8901 1.8901 2.6433 2.6433 6.0191 6.0191 6.4424 6.4424 6.7222 6.7222 7.2600 7.2600 10.0925 10.0925 12.1879 12.1879 12.8421 12.8421 13.1499 13.1499 k = 0.4896 0.3067 0.2903 ( 2956 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3867 -2.3867 -1.6223 -1.6223 1.8937 1.8937 2.6462 2.6462 5.9783 5.9783 6.4410 6.4410 6.7465 6.7465 7.2433 7.2433 10.1062 10.1062 12.1913 12.1913 12.8654 12.8654 13.1631 13.1631 k = 0.4844 0.3157 0.2903 ( 2952 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.3825 -2.3825 -1.6207 -1.6207 1.8995 1.8995 2.6510 2.6510 5.9162 5.9162 6.4384 6.4384 6.7815 6.7815 7.2162 7.2162 10.1288 10.1288 12.1965 12.1965 12.9042 12.9042 13.1851 13.1851 k = 0.4792 0.3248 0.2903 ( 2952 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3447 -33.3447 -2.3766 -2.3766 -1.6185 -1.6185 1.9078 1.9078 2.6577 2.6577 5.8379 5.8379 6.4341 6.4341 6.8222 6.8222 7.1799 7.1799 10.1598 10.1598 12.2032 12.2032 12.9579 12.9579 13.2156 13.2156 k = 0.4740 0.3338 0.2903 ( 2952 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3447 -33.3447 -2.3691 -2.3691 -1.6157 -1.6157 1.9184 1.9184 2.6662 2.6662 5.7478 5.7478 6.4271 6.4271 6.8652 6.8652 7.1361 7.1361 10.1984 10.1984 12.2111 12.2111 13.0260 13.0260 13.2545 13.2545 k = 0.4688 0.3428 0.2903 ( 2956 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3448 -33.3448 -2.3598 -2.3598 -1.6124 -1.6124 1.9313 1.9313 2.6766 2.6766 5.6488 5.6488 6.4164 6.4164 6.9081 6.9081 7.0870 7.0870 10.2440 10.2440 12.2197 12.2197 13.1077 13.1077 13.3015 13.3015 k = 0.4635 0.3518 0.2903 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3505 -33.3505 -33.3448 -33.3448 -2.3490 -2.3490 -1.6086 -1.6086 1.9465 1.9465 2.6888 2.6888 5.5431 5.5431 6.4001 6.4001 6.9494 6.9494 7.0353 7.0353 10.2957 10.2957 12.2288 12.2288 13.2018 13.2018 13.3560 13.3560 k = 0.4583 0.3608 0.2903 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3505 -33.3505 -33.3449 -33.3449 -2.3366 -2.3366 -1.6044 -1.6044 1.9641 1.9641 2.7028 2.7028 5.4322 5.4322 6.3762 6.3762 6.9817 6.9817 6.9913 6.9913 10.3527 10.3527 12.2383 12.2383 13.3072 13.3072 13.4170 13.4170 k = 0.4531 0.3699 0.2903 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3505 -33.3505 -33.3450 -33.3450 -2.3225 -2.3225 -1.5997 -1.5997 1.9840 1.9840 2.7185 2.7185 5.3176 5.3176 6.3421 6.3421 6.9373 6.9373 7.0257 7.0257 10.4142 10.4142 12.2479 12.2479 13.4224 13.4224 13.4832 13.4832 k = 0.4479 0.3789 0.2903 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3505 -33.3505 -33.3451 -33.3451 -2.3069 -2.3069 -1.5948 -1.5948 2.0062 2.0062 2.7358 2.7358 5.2001 5.2001 6.2959 6.2959 6.8981 6.8981 7.0596 7.0596 10.4792 10.4792 12.2575 12.2575 13.5459 13.5459 13.5520 13.5520 k = 0.4427 0.3879 0.2903 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3504 -33.3504 -33.3452 -33.3452 -2.2898 -2.2898 -1.5897 -1.5897 2.0308 2.0308 2.7547 2.7547 5.0806 5.0806 6.2364 6.2364 6.8684 6.8684 7.0907 7.0907 10.5472 10.5472 12.2671 12.2671 13.6186 13.6186 13.6764 13.6764 k = 0.4375 0.3969 0.2903 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3503 -33.3503 -33.3452 -33.3452 -2.2712 -2.2712 -1.5845 -1.5845 2.0576 2.0576 2.7751 2.7751 4.9599 4.9599 6.1642 6.1642 6.8485 6.8485 7.1191 7.1191 10.6174 10.6174 12.2765 12.2765 13.6754 13.6754 13.8120 13.8120 k = 0.4323 0.4059 0.2903 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3503 -33.3503 -33.3454 -33.3454 -2.2511 -2.2511 -1.5792 -1.5792 2.0868 2.0868 2.7968 2.7968 4.8386 4.8386 6.0813 6.0813 6.8376 6.8376 7.1449 7.1449 10.6893 10.6893 12.2856 12.2856 13.7100 13.7100 13.9510 13.9510 k = 0.4271 0.4150 0.2903 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3503 -33.3503 -33.3455 -33.3455 -2.2297 -2.2297 -1.5741 -1.5741 2.1182 2.1182 2.8198 2.8198 4.7174 4.7174 5.9897 5.9897 6.8342 6.8342 7.1682 7.1682 10.7624 10.7624 12.2941 12.2941 13.7086 13.7086 14.0915 14.0915 k = 0.4219 0.4240 0.2903 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3502 -33.3502 -33.3456 -33.3456 -2.2069 -2.2069 -1.5692 -1.5692 2.1519 2.1519 2.8438 2.8438 4.5968 4.5968 5.8919 5.8919 6.8369 6.8369 7.1891 7.1891 10.8364 10.8364 12.3020 12.3020 13.6674 13.6674 14.2311 14.2311 k = 0.4167 0.4330 0.2903 ( 2982 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3502 -33.3502 -33.3457 -33.3457 -2.1828 -2.1828 -1.5647 -1.5647 2.1879 2.1879 2.8688 2.8688 4.4773 4.4773 5.7898 5.7898 6.8443 6.8443 7.2078 7.2078 10.9109 10.9109 12.3090 12.3090 13.5955 13.5955 14.3674 14.3674 k = 0.4115 0.4420 0.2903 ( 2976 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3501 -33.3501 -33.3458 -33.3458 -2.1575 -2.1575 -1.5608 -1.5608 2.2261 2.2261 2.8944 2.8944 4.3594 4.3594 5.6853 5.6853 6.8555 6.8555 7.2241 7.2241 10.9859 10.9859 12.3149 12.3149 13.5051 13.5051 14.4975 14.4975 k = 0.4062 0.4511 0.2903 ( 2976 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3501 -33.3501 -33.3460 -33.3460 -2.1311 -2.1311 -1.5576 -1.5576 2.2665 2.2665 2.9205 2.9205 4.2436 4.2436 5.5797 5.5797 6.8697 6.8697 7.2383 7.2383 11.0612 11.0612 12.3195 12.3195 13.4051 13.4051 14.6179 14.6179 k = 0.4010 0.4601 0.2903 ( 2976 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3500 -33.3500 -33.3461 -33.3461 -2.1035 -2.1035 -1.5552 -1.5552 2.3091 2.3091 2.9467 2.9467 4.1303 4.1303 5.4742 5.4742 6.8864 6.8864 7.2502 7.2502 11.1368 11.1368 12.3225 12.3225 13.3007 13.3007 14.7253 14.7253 k = 0.3958 0.4691 0.2903 ( 2980 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3500 -33.3500 -33.3462 -33.3462 -2.0750 -2.0750 -1.5540 -1.5540 2.3540 2.3540 2.9727 2.9727 4.0199 4.0199 5.3702 5.3702 6.9050 6.9050 7.2600 7.2600 11.2125 11.2125 12.3236 12.3236 13.1951 13.1951 14.8162 14.8162 k = 0.3906 0.4781 0.2903 ( 2984 PWs) bands (ev): -66.6913 -66.6913 -33.6362 -33.6362 -33.3499 -33.3499 -33.3463 -33.3463 -2.0456 -2.0456 -1.5540 -1.5540 2.4010 2.4010 2.9979 2.9979 3.9129 3.9129 5.2686 5.2686 6.9253 6.9253 7.2676 7.2676 11.2885 11.2885 12.3227 12.3227 13.0901 13.0901 14.8884 14.8884 k = 0.3854 0.4871 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3499 -33.3499 -33.3465 -33.3465 -2.0154 -2.0154 -1.5555 -1.5555 2.4502 2.4502 3.0220 3.0220 3.8097 3.8097 5.1706 5.1706 6.9469 6.9469 7.2729 7.2729 11.3649 11.3649 12.3195 12.3195 12.9870 12.9870 14.9411 14.9411 k = 0.3802 0.4962 0.2903 ( 2980 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3498 -33.3498 -33.3465 -33.3465 -1.9845 -1.9845 -1.5588 -1.5588 2.5015 2.5015 3.0442 3.0442 3.7106 3.7106 5.0772 5.0772 6.9695 6.9695 7.2759 7.2759 11.4416 11.4416 12.3137 12.3137 12.8867 12.8867 14.9756 14.9756 k = 0.3750 0.5052 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3498 -33.3498 -33.3467 -33.3467 -1.9530 -1.9530 -1.5640 -1.5640 2.5549 2.5549 3.0639 3.0639 3.6161 3.6161 4.9896 4.9896 6.9930 6.9930 7.2765 7.2765 11.5187 11.5187 12.3053 12.3053 12.7897 12.7897 14.9948 14.9948 k = 0.3698 0.5142 0.2903 ( 2984 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3497 -33.3497 -33.3468 -33.3468 -1.9211 -1.9211 -1.5713 -1.5713 2.6104 2.6104 3.0804 3.0804 3.5264 3.5264 4.9090 4.9090 7.0171 7.0171 7.2747 7.2747 11.5964 11.5964 12.2941 12.2941 12.6965 12.6965 15.0023 15.0023 k = 0.3646 0.5232 0.2903 ( 3000 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3497 -33.3497 -33.3469 -33.3469 -1.8890 -1.8890 -1.5810 -1.5810 2.6679 2.6679 3.0926 3.0926 3.4420 3.4420 4.8364 4.8364 7.0417 7.0417 7.2703 7.2703 11.6747 11.6747 12.2799 12.2799 12.6076 12.6076 15.0018 15.0018 k = 0.3594 0.5322 0.2903 ( 2992 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3469 -33.3469 -1.8567 -1.8567 -1.5933 -1.5933 2.7275 2.7275 3.1000 3.1000 3.3632 3.3632 4.7733 4.7733 7.0665 7.0665 7.2634 7.2634 11.7537 11.7537 12.2629 12.2629 12.5233 12.5233 14.9966 14.9966 k = 0.3542 0.5413 0.2903 ( 2992 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3470 -33.3470 -1.8245 -1.8245 -1.6083 -1.6083 2.7890 2.7890 3.1016 3.1016 3.2903 3.2903 4.7205 4.7205 7.0913 7.0913 7.2537 7.2537 11.8335 11.8335 12.2432 12.2432 12.4439 12.4439 14.9894 14.9894 k = 0.3490 0.5503 0.2903 ( 2992 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3470 -33.3470 -1.7925 -1.7925 -1.6264 -1.6264 2.8524 2.8524 3.0968 3.0968 3.2237 3.2237 4.6789 4.6789 7.1159 7.1159 7.2413 7.2413 11.9139 11.9139 12.2209 12.2209 12.3697 12.3697 14.9820 14.9820 k = 0.3438 0.5593 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3471 -33.3471 -1.7609 -1.7609 -1.6475 -1.6475 2.9176 2.9176 3.0855 3.0855 3.1635 3.1635 4.6493 4.6493 7.1402 7.1402 7.2260 7.2260 11.9949 11.9949 12.1964 12.1964 12.3011 12.3011 14.9758 14.9758 k = 0.3385 0.5683 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7300 -1.7300 -1.6720 -1.6720 2.9842 2.9842 3.0677 3.0677 3.1105 3.1105 4.6316 4.6316 7.1639 7.1639 7.2079 7.2079 12.0755 12.0755 12.1699 12.1699 12.2393 12.2393 14.9718 14.9718 k = 0.3333 0.5774 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7017 -1.7017 -1.6981 -1.6981 3.0438 3.0438 3.0440 3.0440 3.0731 3.0731 4.6259 4.6259 7.1862 7.1862 7.1875 7.1875 12.1401 12.1401 12.1437 12.1437 12.1982 12.1982 14.9704 14.9704 k = 0.3333 0.5774 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7017 -1.7017 -1.6981 -1.6981 3.0438 3.0438 3.0440 3.0440 3.0731 3.0731 4.6259 4.6259 7.1862 7.1862 7.1875 7.1875 12.1401 12.1401 12.1437 12.1437 12.1982 12.1982 14.9704 14.9704 k = 0.3280 0.5682 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7317 -1.7317 -1.6704 -1.6704 3.0144 3.0144 3.0194 3.0194 3.1291 3.1291 4.6316 4.6316 7.1625 7.1625 7.2091 7.2091 12.1116 12.1116 12.1170 12.1170 12.2565 12.2565 14.9719 14.9719 k = 0.3228 0.5590 0.2903 ( 2990 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3496 -33.3496 -33.3471 -33.3471 -1.7672 -1.7672 -1.6424 -1.6424 2.9807 2.9807 2.9869 2.9869 3.2022 3.2022 4.6480 4.6480 7.1352 7.1352 7.2302 7.2302 12.0701 12.0701 12.0830 12.0830 12.3414 12.3414 14.9763 14.9763 k = 0.3175 0.5499 0.2903 ( 2994 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3470 -33.3470 -1.8062 -1.8062 -1.6160 -1.6160 2.9442 2.9442 2.9611 2.9611 3.2776 3.2776 4.6742 4.6742 7.1050 7.1050 7.2498 7.2498 12.0284 12.0284 12.0530 12.0530 12.4294 12.4294 14.9833 14.9833 k = 0.3122 0.5407 0.2903 ( 2994 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3470 -33.3470 -1.8488 -1.8488 -1.5916 -1.5916 2.9062 2.9062 2.9425 2.9425 3.3548 3.3548 4.7091 4.7091 7.0720 7.0720 7.2677 7.2677 11.9916 11.9916 12.0238 12.0238 12.5192 12.5192 14.9928 14.9928 k = 0.3069 0.5315 0.2903 ( 2998 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3470 -33.3470 -1.8948 -1.8948 -1.5695 -1.5695 2.8680 2.8680 2.9310 2.9310 3.4338 3.4338 4.7515 4.7515 7.0362 7.0362 7.2837 7.2837 11.9602 11.9602 11.9960 11.9960 12.6105 12.6105 15.0041 15.0041 k = 0.3016 0.5224 0.2903 ( 2994 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3469 -33.3469 -1.9443 -1.9443 -1.5498 -1.5498 2.8310 2.8310 2.9267 2.9267 3.5143 3.5143 4.8006 4.8006 6.9979 6.9979 7.2976 7.2976 11.9339 11.9339 11.9701 11.9701 12.7032 12.7032 15.0168 15.0168 k = 0.2963 0.5132 0.2903 ( 2994 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3496 -33.3496 -33.3468 -33.3468 -1.9969 -1.9969 -1.5329 -1.5329 2.7961 2.7961 2.9294 2.9294 3.5963 3.5963 4.8555 4.8555 6.9571 6.9571 7.3092 7.3092 11.9126 11.9126 11.9467 11.9467 12.7973 12.7973 15.0302 15.0302 k = 0.2910 0.5040 0.2903 ( 2990 PWs) bands (ev): -66.6912 -66.6912 -33.6362 -33.6362 -33.3496 -33.3496 -33.3467 -33.3467 -2.0525 -2.0525 -1.5190 -1.5190 2.7644 2.7644 2.9390 2.9390 3.6796 3.6796 4.9154 4.9154 6.9141 6.9141 7.3184 7.3184 11.8963 11.8963 11.9262 11.9262 12.8927 12.8927 15.0439 15.0439 k = 0.2857 0.4949 0.2903 ( 2986 PWs) bands (ev): -66.6913 -66.6913 -33.6362 -33.6362 -33.3496 -33.3496 -33.3467 -33.3467 -2.1110 -2.1110 -1.5084 -1.5084 2.7366 2.7366 2.9553 2.9553 3.7642 3.7642 4.9796 4.9796 6.8692 6.8692 7.3249 7.3249 11.8846 11.8846 11.9092 11.9092 12.9895 12.9895 15.0571 15.0571 k = 0.2804 0.4857 0.2903 ( 2982 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3496 -33.3496 -33.3466 -33.3466 -2.1720 -2.1720 -1.5013 -1.5013 2.7134 2.7134 2.9780 2.9780 3.8500 3.8500 5.0477 5.0477 6.8224 6.8224 7.3287 7.3287 11.8773 11.8773 11.8961 11.8961 13.0876 13.0876 15.0694 15.0694 k = 0.2751 0.4765 0.2903 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6361 -33.6361 -33.3495 -33.3495 -33.3465 -33.3465 -2.2353 -2.2353 -1.4979 -1.4979 2.6955 2.6955 3.0069 3.0069 3.9368 3.9368 5.1192 5.1192 6.7742 6.7742 7.3296 7.3296 11.8741 11.8741 11.8872 11.8872 13.1870 13.1870 15.0803 15.0803 k = 0.2698 0.4674 0.2903 ( 2978 PWs) bands (ev): -66.6913 -66.6913 -33.6360 -33.6360 -33.3495 -33.3495 -33.3464 -33.3464 -2.3008 -2.3008 -1.4982 -1.4982 2.6833 2.6833 3.0418 3.0418 4.0245 4.0245 5.1936 5.1936 6.7248 6.7248 7.3276 7.3276 11.8746 11.8746 11.8830 11.8830 13.2876 13.2876 15.0892 15.0892 k = 0.2646 0.4582 0.2903 ( 2978 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3495 -33.3495 -33.3463 -33.3463 -2.3681 -2.3681 -1.5024 -1.5024 2.6771 2.6771 3.0824 3.0824 4.1129 4.1129 5.2707 5.2707 6.6745 6.6745 7.3227 7.3227 11.8787 11.8787 11.8837 11.8837 13.3894 13.3894 15.0959 15.0959 k = 0.2593 0.4491 0.2903 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6359 -33.6359 -33.3494 -33.3494 -33.3462 -33.3462 -2.4369 -2.4369 -1.5106 -1.5106 2.6772 2.6772 3.1284 3.1284 4.2019 4.2019 5.3499 5.3499 6.6236 6.6236 7.3148 7.3148 11.8860 11.8860 11.8894 11.8894 13.4924 13.4924 15.1002 15.1002 k = 0.2540 0.4399 0.2903 ( 2978 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3494 -33.3494 -33.3461 -33.3461 -2.5071 -2.5071 -1.5226 -1.5226 2.6837 2.6837 3.1796 3.1796 4.2911 4.2911 5.4312 5.4312 6.5726 6.5726 7.3040 7.3040 11.8965 11.8965 11.8999 11.8999 13.5964 13.5964 15.1020 15.1020 k = 0.2487 0.4307 0.2903 ( 2978 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3493 -33.3493 -33.3460 -33.3460 -2.5784 -2.5784 -1.5385 -1.5385 2.6967 2.6967 3.2357 3.2357 4.3805 4.3805 5.5142 5.5142 6.5219 6.5219 7.2905 7.2905 11.9098 11.9098 11.9156 11.9156 13.7014 13.7014 15.1013 15.1013 k = 0.2434 0.4216 0.2903 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6356 -33.6356 -33.3492 -33.3492 -33.3459 -33.3459 -2.6506 -2.6506 -1.5582 -1.5582 2.7163 2.7163 3.2964 3.2964 4.4695 4.4695 5.5986 5.5986 6.4718 6.4718 7.2742 7.2742 11.9254 11.9254 11.9367 11.9367 13.8074 13.8074 15.0984 15.0984 k = 0.2381 0.4124 0.2903 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6355 -33.6355 -33.3491 -33.3491 -33.3458 -33.3458 -2.7234 -2.7234 -1.5813 -1.5813 2.7421 2.7421 3.3614 3.3614 4.5580 4.5580 5.6843 5.6843 6.4230 6.4230 7.2555 7.2555 11.9430 11.9430 11.9630 11.9630 13.9141 13.9141 15.0935 15.0935 k = 0.2328 0.4032 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6354 -33.6354 -33.3490 -33.3490 -33.3457 -33.3457 -2.7966 -2.7966 -1.6079 -1.6079 2.7743 2.7743 3.4304 3.4304 4.6454 4.6454 5.7710 5.7710 6.3759 6.3759 7.2345 7.2345 11.9624 11.9624 11.9944 11.9944 14.0215 14.0215 15.0869 15.0869 k = 0.2275 0.3941 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6353 -33.6353 -33.3489 -33.3489 -33.3456 -33.3456 -2.8700 -2.8700 -1.6376 -1.6376 2.8124 2.8124 3.5031 3.5031 4.7312 4.7312 5.8584 5.8584 6.3314 6.3314 7.2115 7.2115 11.9835 11.9835 12.0309 12.0309 14.1293 14.1293 15.0791 15.0791 k = 0.2222 0.3849 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6352 -33.6352 -33.3488 -33.3488 -33.3455 -33.3455 -2.9434 -2.9434 -1.6702 -1.6702 2.8564 2.8564 3.5792 3.5792 4.8148 4.8148 5.9464 5.9464 6.2902 6.2902 7.1867 7.1867 12.0060 12.0060 12.0722 12.0722 14.2375 14.2375 15.0706 15.0706 k = 0.2169 0.3757 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6351 -33.6351 -33.3487 -33.3487 -33.3454 -33.3454 -3.0167 -3.0167 -1.7054 -1.7054 2.9058 2.9058 3.6583 3.6583 4.8954 4.8954 6.0346 6.0346 6.2533 6.2533 7.1604 7.1604 12.0299 12.0299 12.1181 12.1181 14.3459 14.3459 15.0619 15.0619 k = 0.2116 0.3666 0.2903 ( 2972 PWs) bands (ev): -66.6914 -66.6914 -33.6350 -33.6350 -33.3486 -33.3486 -33.3453 -33.3453 -3.0897 -3.0897 -1.7430 -1.7430 2.9604 2.9604 3.7400 3.7400 4.9720 4.9720 6.1228 6.1228 6.2219 6.2219 7.1330 7.1330 12.0550 12.0550 12.1684 12.1684 14.4541 14.4541 15.0533 15.0533 k = 0.2063 0.3574 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6349 -33.6349 -33.3484 -33.3484 -33.3451 -33.3451 -3.1622 -3.1622 -1.7826 -1.7826 3.0199 3.0199 3.8240 3.8240 5.0435 5.0435 6.1965 6.1965 6.2115 6.2115 7.1050 7.1050 12.0812 12.0812 12.2229 12.2229 14.5617 14.5617 15.0455 15.0455 k = 0.2011 0.3482 0.2903 ( 2964 PWs) bands (ev): -66.6915 -66.6915 -33.6348 -33.6348 -33.3483 -33.3483 -33.3450 -33.3450 -3.2341 -3.2341 -1.8240 -1.8240 3.0838 3.0838 3.9096 3.9096 5.1087 5.1087 6.1807 6.1807 6.2982 6.2982 7.0767 7.0767 12.1084 12.1084 12.2813 12.2813 14.6684 14.6684 15.0387 15.0387 k = 0.1958 0.3391 0.2903 ( 2960 PWs) bands (ev): -66.6915 -66.6915 -33.6346 -33.6346 -33.3481 -33.3481 -33.3449 -33.3449 -3.3052 -3.3052 -1.8669 -1.8669 3.1518 3.1518 3.9963 3.9963 5.1666 5.1666 6.1742 6.1742 6.3842 6.3842 7.0489 7.0489 12.1368 12.1368 12.3434 12.3434 14.7734 14.7734 15.0335 15.0335 k = 0.1905 0.3299 0.2903 ( 2956 PWs) bands (ev): -66.6915 -66.6915 -33.6345 -33.6345 -33.3480 -33.3480 -33.3448 -33.3448 -3.3755 -3.3755 -1.9110 -1.9110 3.2235 3.2235 4.0833 4.0833 5.2163 5.2163 6.1789 6.1789 6.4683 6.4683 7.0225 7.0225 12.1663 12.1663 12.4088 12.4088 14.8756 14.8756 15.0301 15.0301 k = 0.1852 0.3208 0.2903 ( 2956 PWs) bands (ev): -66.6915 -66.6915 -33.6344 -33.6344 -33.3478 -33.3478 -33.3447 -33.3447 -3.4448 -3.4448 -1.9560 -1.9560 3.2986 3.2986 4.1696 4.1696 5.2578 5.2578 6.1955 6.1955 6.5493 6.5493 6.9986 6.9986 12.1971 12.1971 12.4773 12.4773 14.9728 14.9728 15.0288 15.0288 k = 0.1799 0.3116 0.2903 ( 2952 PWs) bands (ev): -66.6916 -66.6916 -33.6342 -33.6342 -33.3477 -33.3477 -33.3445 -33.3445 -3.5130 -3.5130 -2.0018 -2.0018 3.3765 3.3765 4.2540 4.2540 5.2923 5.2923 6.2239 6.2239 6.6247 6.6247 6.9800 6.9800 12.2292 12.2292 12.5486 12.5486 15.0297 15.0297 15.0598 15.0598 k = 0.1746 0.3024 0.2903 ( 2948 PWs) bands (ev): -66.6916 -66.6916 -33.6341 -33.6341 -33.3475 -33.3475 -33.3444 -33.3444 -3.5799 -3.5799 -2.0481 -2.0481 3.4570 3.4570 4.3349 4.3349 5.3218 5.3218 6.2634 6.2634 6.6900 6.6900 6.9713 6.9713 12.2628 12.2628 12.6224 12.6224 15.0331 15.0331 15.1229 15.1229 k = 0.1693 0.2933 0.2903 ( 2948 PWs) bands (ev): -66.6916 -66.6916 -33.6339 -33.6339 -33.3474 -33.3474 -33.3442 -33.3442 -3.6456 -3.6456 -2.0946 -2.0946 3.5395 3.5395 4.4103 4.4103 5.3497 5.3497 6.3123 6.3123 6.7370 6.7370 6.9809 6.9809 12.2980 12.2980 12.6985 12.6985 15.0385 15.0385 15.1410 15.1410 k = 0.1640 0.2841 0.2903 ( 2946 PWs) bands (ev): -66.6916 -66.6916 -33.6338 -33.6338 -33.3472 -33.3472 -33.3441 -33.3441 -3.7099 -3.7099 -2.1412 -2.1412 3.6235 3.6235 4.4780 4.4780 5.3797 5.3797 6.3689 6.3689 6.7594 6.7594 7.0152 7.0152 12.3351 12.3351 12.7766 12.7766 15.0458 15.0458 15.1159 15.1159 k = 0.1587 0.2749 0.2903 ( 2946 PWs) bands (ev): -66.6917 -66.6917 -33.6337 -33.6337 -33.3471 -33.3471 -33.3440 -33.3440 -3.7728 -3.7728 -2.1877 -2.1877 3.7088 3.7088 4.5356 4.5356 5.4158 5.4158 6.4312 6.4312 6.7618 6.7618 7.0698 7.0698 12.3742 12.3742 12.8564 12.8564 15.0541 15.0541 15.0684 15.0684 k = 0.1534 0.2658 0.2903 ( 2950 PWs) bands (ev): -66.6917 -66.6917 -33.6335 -33.6335 -33.3470 -33.3470 -33.3438 -33.3438 -3.8341 -3.8341 -2.2338 -2.2338 3.7947 3.7947 4.5810 4.5810 5.4614 5.4614 6.4977 6.4977 6.7541 6.7541 7.1350 7.1350 12.4156 12.4156 12.9378 12.9378 15.0096 15.0096 15.0621 15.0621 k = 0.1481 0.2566 0.2903 ( 2942 PWs) bands (ev): -66.6917 -66.6917 -33.6334 -33.6334 -33.3468 -33.3468 -33.3436 -33.3436 -3.8938 -3.8938 -2.2795 -2.2795 3.8807 3.8807 4.6134 4.6134 5.5184 5.5184 6.5670 6.5670 6.7428 6.7428 7.2045 7.2045 12.4595 12.4595 13.0205 13.0205 14.9449 14.9449 15.0672 15.0672 k = 0.1429 0.2474 0.2903 ( 2946 PWs) bands (ev): -66.6917 -66.6917 -33.6332 -33.6332 -33.3467 -33.3467 -33.3435 -33.3435 -3.9519 -3.9519 -2.3246 -2.3246 3.9664 3.9664 4.6330 4.6330 5.5875 5.5875 6.6378 6.6378 6.7313 6.7313 7.2752 7.2752 12.5059 12.5059 13.1042 13.1042 14.8762 14.8762 15.0662 15.0662 k = 0.1376 0.2383 0.2903 ( 2942 PWs) bands (ev): -66.6917 -66.6917 -33.6331 -33.6331 -33.3466 -33.3466 -33.3433 -33.3433 -4.0082 -4.0082 -2.3689 -2.3689 4.0511 4.0511 4.6413 4.6413 5.6678 5.6678 6.7091 6.7091 6.7217 6.7217 7.3454 7.3454 12.5552 12.5552 13.1889 13.1889 14.8050 14.8050 15.0551 15.0551 k = 0.1323 0.2291 0.2903 ( 2942 PWs) bands (ev): -66.6918 -66.6918 -33.6330 -33.6330 -33.3464 -33.3464 -33.3431 -33.3431 -4.0628 -4.0628 -2.4124 -2.4124 4.1343 4.1343 4.6403 4.6403 5.7578 5.7578 6.7143 6.7143 6.7810 6.7810 7.4144 7.4144 12.6075 12.6075 13.2742 13.2742 14.7318 14.7318 15.0320 15.0320 k = 0.1270 0.2199 0.2903 ( 2942 PWs) bands (ev): -66.6918 -66.6918 -33.6328 -33.6328 -33.3463 -33.3463 -33.3430 -33.3430 -4.1156 -4.1156 -2.4548 -2.4548 4.2154 4.2154 4.6320 4.6320 5.8555 5.8555 6.7110 6.7110 6.8519 6.8519 7.4814 7.4814 12.6627 12.6627 13.3601 13.3601 14.6571 14.6571 14.9979 14.9979 k = 0.1217 0.2108 0.2903 ( 2944 PWs) bands (ev): -66.6918 -66.6918 -33.6327 -33.6327 -33.3462 -33.3462 -33.3428 -33.3428 -4.1665 -4.1665 -2.4962 -2.4962 4.2938 4.2938 4.6184 4.6184 5.9592 5.9592 6.7118 6.7118 6.9218 6.9218 7.5462 7.5462 12.7210 12.7210 13.4463 13.4463 14.5813 14.5813 14.9560 14.9560 k = 0.1164 0.2016 0.2903 ( 2948 PWs) bands (ev): -66.6918 -66.6918 -33.6326 -33.6326 -33.3461 -33.3461 -33.3426 -33.3426 -4.2155 -4.2155 -2.5363 -2.5363 4.3690 4.3690 4.6008 4.6008 6.0675 6.0675 6.7175 6.7175 6.9903 6.9903 7.6084 7.6084 12.7822 12.7822 13.5326 13.5326 14.5048 14.5048 14.9095 14.9095 k = 0.1111 0.1925 0.2903 ( 2952 PWs) bands (ev): -66.6919 -66.6919 -33.6324 -33.6324 -33.3461 -33.3461 -33.3424 -33.3424 -4.2626 -4.2626 -2.5752 -2.5752 4.4402 4.4402 4.5807 4.5807 6.1789 6.1789 6.7284 6.7284 7.0573 7.0573 7.6679 7.6679 12.8461 12.8461 13.6187 13.6187 14.4280 14.4280 14.8609 14.8609 k = 0.1058 0.1833 0.2903 ( 2956 PWs) bands (ev): -66.6919 -66.6919 -33.6323 -33.6323 -33.3460 -33.3460 -33.3423 -33.3423 -4.3076 -4.3076 -2.6127 -2.6127 4.5071 4.5071 4.5588 4.5588 6.2923 6.2923 6.7449 6.7449 7.1225 7.1225 7.7246 7.7246 12.9123 12.9123 13.7042 13.7042 14.3513 14.3513 14.8117 14.8117 k = 0.1005 0.1741 0.2903 ( 2954 PWs) bands (ev): -66.6919 -66.6919 -33.6322 -33.6322 -33.3459 -33.3459 -33.3421 -33.3421 -4.3507 -4.3507 -2.6488 -2.6488 4.5358 4.5358 4.5695 4.5695 6.4067 6.4067 6.7671 6.7671 7.1860 7.1860 7.7782 7.7782 12.9801 12.9801 13.7884 13.7884 14.2756 14.2756 14.7633 14.7633 k = 0.0952 0.1650 0.2903 ( 2954 PWs) bands (ev): -66.6919 -66.6919 -33.6321 -33.6321 -33.3458 -33.3458 -33.3419 -33.3419 -4.3917 -4.3917 -2.6834 -2.6834 4.5125 4.5125 4.6265 4.6265 6.5211 6.5211 6.7952 6.7952 7.2478 7.2478 7.8287 7.8287 13.0483 13.0483 13.8703 13.8703 14.2021 14.2021 14.7170 14.7170 k = 0.0899 0.1558 0.2903 ( 2954 PWs) bands (ev): -66.6920 -66.6920 -33.6320 -33.6320 -33.3458 -33.3458 -33.3417 -33.3417 -4.4307 -4.4307 -2.7164 -2.7164 4.4891 4.4891 4.6783 4.6783 6.6344 6.6344 6.8290 6.8290 7.3082 7.3082 7.8760 7.8760 13.1151 13.1151 13.9484 13.9484 14.1327 14.1327 14.6744 14.6744 k = 0.0847 0.1466 0.2903 ( 2950 PWs) bands (ev): -66.6920 -66.6920 -33.6318 -33.6318 -33.3457 -33.3457 -33.3416 -33.3416 -4.4675 -4.4675 -2.7477 -2.7477 4.4661 4.4661 4.7247 4.7247 6.7454 6.7454 6.8682 6.8682 7.3676 7.3676 7.9200 7.9200 13.1776 13.1776 14.0198 14.0198 14.0706 14.0706 14.6381 14.6381 k = 0.0794 0.1375 0.2903 ( 2950 PWs) bands (ev): -66.6920 -66.6920 -33.6317 -33.6317 -33.3456 -33.3456 -33.3414 -33.3414 -4.5023 -4.5023 -2.7774 -2.7774 4.4437 4.4437 4.7658 4.7658 6.8530 6.8530 6.9126 6.9126 7.4263 7.4263 7.9607 7.9607 13.2312 13.2312 14.0200 14.0200 14.0804 14.0804 14.6127 14.6127 k = 0.0741 0.1283 0.2903 ( 2950 PWs) bands (ev): -66.6920 -66.6920 -33.6316 -33.6316 -33.3456 -33.3456 -33.3412 -33.3412 -4.5348 -4.5348 -2.8054 -2.8054 4.4220 4.4220 4.8017 4.8017 6.9542 6.9542 6.9627 6.9627 7.4853 7.4853 7.9980 7.9980 13.2693 13.2693 13.9883 13.9883 14.1229 14.1229 14.6042 14.6042 k = 0.0688 0.1191 0.2903 ( 2954 PWs) bands (ev): -66.6920 -66.6920 -33.6315 -33.6315 -33.3455 -33.3455 -33.3411 -33.3411 -4.5653 -4.5653 -2.8316 -2.8316 4.4013 4.4013 4.8327 4.8327 7.0129 7.0129 7.0527 7.0527 7.5453 7.5453 8.0320 8.0320 13.2855 13.2855 13.9820 13.9820 14.1415 14.1415 14.6189 14.6189 k = 0.0635 0.1100 0.2903 ( 2946 PWs) bands (ev): -66.6920 -66.6920 -33.6314 -33.6314 -33.3455 -33.3455 -33.3409 -33.3409 -4.5935 -4.5935 -2.8560 -2.8560 4.3818 4.3818 4.8593 4.8593 7.0680 7.0680 7.1409 7.1409 7.6072 7.6072 8.0626 8.0626 13.2763 13.2763 14.0046 14.0046 14.1354 14.1354 14.6573 14.6573 k = 0.0582 0.1008 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6314 -33.6314 -33.3455 -33.3455 -33.3408 -33.3408 -4.6195 -4.6195 -2.8786 -2.8786 4.3635 4.3635 4.8817 4.8817 7.1248 7.1248 7.2199 7.2199 7.6716 7.6716 8.0899 8.0899 13.2446 13.2446 14.0536 14.0536 14.1099 14.1099 14.7140 14.7140 k = 0.0529 0.0916 0.2903 ( 2946 PWs) bands (ev): -66.6921 -66.6921 -33.6313 -33.6313 -33.3454 -33.3454 -33.3406 -33.3406 -4.6433 -4.6433 -2.8993 -2.8993 4.3465 4.3465 4.9005 4.9005 7.1822 7.1822 7.2886 7.2886 7.7385 7.7385 8.1139 8.1139 13.1970 13.1970 14.0718 14.0718 14.1229 14.1229 14.7822 14.7822 k = 0.0476 0.0825 0.2903 ( 2942 PWs) bands (ev): -66.6921 -66.6921 -33.6312 -33.6312 -33.3454 -33.3454 -33.3405 -33.3405 -4.6649 -4.6649 -2.9181 -2.9181 4.3310 4.3310 4.9161 4.9161 7.2392 7.2392 7.3471 7.3471 7.8072 7.8072 8.1346 8.1346 13.1403 13.1403 14.0270 14.0270 14.2057 14.2057 14.8568 14.8568 k = 0.0423 0.0733 0.2903 ( 2946 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3454 -33.3454 -33.3404 -33.3404 -4.6843 -4.6843 -2.9350 -2.9350 4.3169 4.3169 4.9288 4.9288 7.2947 7.2947 7.3959 7.3959 7.8759 7.8759 8.1523 8.1523 13.0797 13.0797 13.9790 13.9790 14.2974 14.2974 14.9341 14.9341 k = 0.0370 0.0642 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6311 -33.6311 -33.3453 -33.3453 -33.3403 -33.3403 -4.7014 -4.7014 -2.9500 -2.9500 4.3044 4.3044 4.9391 4.9391 7.3474 7.3474 7.4362 7.4362 7.9429 7.9429 8.1669 8.1669 13.0191 13.0191 13.9308 13.9308 14.3941 14.3941 15.0118 15.0118 k = 0.0317 0.0550 0.2903 ( 2950 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3402 -33.3402 -4.7162 -4.7162 -2.9630 -2.9630 4.2935 4.2935 4.9473 4.9473 7.3962 7.3962 7.4690 7.4690 8.0058 8.0058 8.1787 8.1787 12.9614 12.9614 13.8847 13.8847 14.4928 14.4928 15.0324 15.0324 k = 0.0265 0.0458 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3402 -33.3402 -4.7288 -4.7288 -2.9740 -2.9740 4.2841 4.2841 4.9538 4.9538 7.4399 7.4399 7.4954 7.4954 8.0628 8.0628 8.1880 8.1880 12.9088 12.9088 13.8424 13.8424 14.5907 14.5907 14.9938 14.9938 k = 0.0212 0.0367 0.2903 ( 2952 PWs) bands (ev): -66.6921 -66.6921 -33.6310 -33.6310 -33.3453 -33.3453 -33.3401 -33.3401 -4.7391 -4.7391 -2.9830 -2.9830 4.2765 4.2765 4.9587 4.9587 7.4773 7.4773 7.5163 7.5163 8.1119 8.1119 8.1950 8.1950 12.8632 12.8632 13.8056 13.8056 14.6845 14.6845 14.9627 14.9627 k = 0.0159 0.0275 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7471 -4.7471 -2.9901 -2.9901 4.2705 4.2705 4.9623 4.9623 7.5074 7.5074 7.5323 7.5323 8.1518 8.1518 8.2000 8.2000 12.8260 12.8260 13.7757 13.7757 14.7700 14.7700 14.9390 14.9390 k = 0.0106 0.0183 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7528 -4.7528 -2.9951 -2.9951 4.2662 4.2662 4.9648 4.9648 7.5287 7.5287 7.5444 7.5444 8.1810 8.1810 8.2034 8.2034 12.7986 12.7986 13.7535 13.7535 14.8410 14.8410 14.9227 14.9227 k = 0.0053 0.0092 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7562 -4.7562 -2.9981 -2.9981 4.2636 4.2636 4.9662 4.9662 7.5404 7.5404 7.5528 7.5528 8.1981 8.1981 8.2061 8.2061 12.7818 12.7818 13.7399 13.7399 14.8879 14.8879 14.9148 14.9148 k = 0.0000 0.0000 0.2903 ( 2954 PWs) bands (ev): -66.6921 -66.6921 -33.6309 -33.6309 -33.3453 -33.3453 -33.3400 -33.3400 -4.7574 -4.7574 -2.9991 -2.9991 4.2628 4.2628 4.9667 4.9667 7.5440 7.5440 7.5561 7.5561 8.2025 8.2025 8.2083 8.2083 12.7762 12.7762 13.7353 13.7353 14.9000 14.9000 14.9171 14.9171 k = 0.5000 0.2887 0.2903 ( 2960 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3901 -2.3901 -1.6236 -1.6236 1.8890 1.8890 2.6424 2.6424 6.0334 6.0334 6.4428 6.4428 6.7134 6.7134 7.2657 7.2657 10.0879 10.0879 12.1868 12.1868 12.8343 12.8343 13.1455 13.1455 k = 0.5000 0.2887 0.2799 ( 2960 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.3906 -2.3906 -1.6233 -1.6233 1.8895 1.8895 2.6448 2.6448 6.0328 6.0328 6.4246 6.4246 6.7261 6.7261 7.2669 7.2669 10.0851 10.0851 12.1961 12.1961 12.8209 12.8209 13.1632 13.1632 k = 0.5000 0.2887 0.2695 ( 2956 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.3920 -2.3920 -1.6226 -1.6226 1.8910 1.8910 2.6520 2.6520 6.0307 6.0307 6.3779 6.3779 6.7559 6.7559 7.2703 7.2703 10.0770 10.0770 12.2233 12.2233 12.7884 12.7884 13.2090 13.2090 k = 0.5000 0.2887 0.2592 ( 2956 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.3944 -2.3944 -1.6214 -1.6214 1.8936 1.8936 2.6639 2.6639 6.0274 6.0274 6.3147 6.3147 6.7910 6.7910 7.2761 7.2761 10.0648 10.0648 12.2660 12.2660 12.7498 12.7498 13.2712 13.2712 k = 0.5000 0.2887 0.2488 ( 2952 PWs) bands (ev): -66.6913 -66.6913 -33.6357 -33.6357 -33.3506 -33.3506 -33.3446 -33.3446 -2.3976 -2.3976 -1.6197 -1.6197 1.8974 1.8974 2.6803 2.6803 6.0229 6.0229 6.2421 6.2421 6.8241 6.8241 7.2839 7.2839 10.0501 10.0501 12.3190 12.3190 12.7158 12.7158 13.3423 13.3423 k = 0.5000 0.2887 0.2384 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4017 -2.4017 -1.6176 -1.6176 1.9024 1.9024 2.7011 2.7011 6.0172 6.0172 6.1638 6.1638 6.8516 6.8516 7.2938 7.2938 10.0346 10.0346 12.3727 12.3727 12.6978 12.6978 13.4182 13.4182 k = 0.5000 0.2887 0.2281 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4066 -2.4066 -1.6152 -1.6152 1.9087 1.9087 2.7259 2.7259 6.0105 6.0105 6.0817 6.0817 6.8716 6.8716 7.3056 7.3056 10.0202 10.0202 12.4102 12.4102 12.7127 12.7127 13.4965 13.4965 k = 0.5000 0.2887 0.2177 ( 2976 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4120 -2.4120 -1.6125 -1.6125 1.9164 1.9164 2.7546 2.7546 5.9959 5.9959 6.0042 6.0042 6.8830 6.8830 7.3190 7.3190 10.0085 10.0085 12.4198 12.4198 12.7718 12.7718 13.5755 13.5755 k = 0.5000 0.2887 0.2073 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4181 -2.4181 -1.6096 -1.6096 1.9256 1.9256 2.7867 2.7867 5.9108 5.9108 5.9948 5.9948 6.8854 6.8854 7.3339 7.3339 10.0006 10.0006 12.4090 12.4090 12.8663 12.8663 13.6535 13.6535 k = 0.5000 0.2887 0.1970 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4246 -2.4246 -1.6065 -1.6065 1.9362 1.9362 2.8221 2.8221 5.8239 5.8239 5.9859 5.9859 6.8785 6.8785 7.3500 7.3500 9.9973 9.9973 12.3905 12.3905 12.9828 12.9828 13.7286 13.7286 k = 0.5000 0.2887 0.1866 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4315 -2.4315 -1.6033 -1.6033 1.9485 1.9485 2.8602 2.8602 5.7369 5.7369 5.9765 5.9765 6.8626 6.8626 7.3672 7.3672 9.9990 9.9990 12.3715 12.3715 13.1131 13.1131 13.7992 13.7992 k = 0.5000 0.2887 0.1762 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.4387 -2.4387 -1.6001 -1.6001 1.9622 1.9622 2.9008 2.9008 5.6503 5.6503 5.9669 5.9669 6.8383 6.8383 7.3851 7.3851 10.0057 10.0057 12.3556 12.3556 13.2531 13.2531 13.8632 13.8632 k = 0.5000 0.2887 0.1659 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.4461 -2.4461 -1.5968 -1.5968 1.9774 1.9774 2.9435 2.9435 5.5647 5.5647 5.9570 5.9570 6.8062 6.8062 7.4036 7.4036 10.0169 10.0169 12.3444 12.3444 13.4000 13.4000 13.9185 13.9185 k = 0.5000 0.2887 0.1555 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.4535 -2.4535 -1.5937 -1.5937 1.9940 1.9940 2.9878 2.9878 5.4806 5.4806 5.9472 5.9472 6.7673 6.7673 7.4224 7.4224 10.0320 10.0320 12.3392 12.3392 13.5516 13.5516 13.9633 13.9633 k = 0.5000 0.2887 0.1451 ( 2962 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.4609 -2.4609 -1.5906 -1.5906 2.0117 2.0117 3.0334 3.0334 5.3985 5.3985 5.9374 5.9374 6.7228 6.7228 7.4413 7.4413 10.0503 10.0503 12.3407 12.3407 13.7047 13.7047 13.9975 13.9975 k = 0.5000 0.2887 0.1348 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4682 -2.4682 -1.5877 -1.5877 2.0306 2.0306 3.0797 3.0797 5.3189 5.3189 5.9278 5.9278 6.6738 6.6738 7.4600 7.4600 10.0708 10.0708 12.3493 12.3493 13.8493 13.8493 14.0281 14.0281 k = 0.5000 0.2887 0.1244 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4752 -2.4752 -1.5850 -1.5850 2.0502 2.0502 3.1263 3.1263 5.2423 5.2423 5.9186 5.9186 6.6215 6.6215 7.4784 7.4784 10.0927 10.0927 12.3655 12.3655 13.9388 13.9388 14.1003 14.1003 k = 0.5000 0.2887 0.1140 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4821 -2.4821 -1.5824 -1.5824 2.0703 2.0703 3.1727 3.1727 5.1692 5.1692 5.9097 5.9097 6.5672 6.5672 7.4962 7.4962 10.1150 10.1150 12.3894 12.3894 13.9448 13.9448 14.2414 14.2414 k = 0.5000 0.2887 0.1037 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4885 -2.4885 -1.5801 -1.5801 2.0907 2.0907 3.2183 3.2183 5.1001 5.1001 5.9014 5.9014 6.5121 6.5121 7.5132 7.5132 10.1370 10.1370 12.4211 12.4211 13.9157 13.9157 14.4036 14.4036 k = 0.5000 0.2887 0.0933 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.4945 -2.4945 -1.5779 -1.5779 2.1110 2.1110 3.2624 3.2624 5.0355 5.0355 5.8936 5.8936 6.4574 6.4574 7.5293 7.5293 10.1580 10.1580 12.4607 12.4607 13.8680 13.8680 14.5712 14.5712 k = 0.5000 0.2887 0.0829 ( 2976 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5001 -2.5001 -1.5760 -1.5760 2.1308 2.1308 3.3046 3.3046 4.9759 4.9759 5.8864 5.8864 6.4044 6.4044 7.5441 7.5441 10.1776 10.1776 12.5079 12.5079 13.8067 13.8067 14.7405 14.7405 k = 0.5000 0.2887 0.0726 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5051 -2.5051 -1.5743 -1.5743 2.1496 2.1496 3.3440 3.3440 4.9218 4.9218 5.8800 5.8800 6.3541 6.3541 7.5577 7.5577 10.1954 10.1954 12.5624 12.5624 13.7351 13.7351 14.7079 14.7079 k = 0.5000 0.2887 0.0622 ( 2972 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5096 -2.5096 -1.5729 -1.5729 2.1671 2.1671 3.3800 3.3800 4.8738 4.8738 5.8743 5.8743 6.3077 6.3077 7.5697 7.5697 10.2109 10.2109 12.6238 12.6238 13.6554 13.6554 14.6750 14.6750 k = 0.5000 0.2887 0.0518 ( 2974 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5134 -2.5134 -1.5717 -1.5717 2.1828 2.1828 3.4119 3.4119 4.8323 4.8323 5.8694 5.8694 6.2663 6.2663 7.5802 7.5802 10.2242 10.2242 12.6915 12.6915 13.5701 13.5701 14.6468 14.6468 k = 0.5000 0.2887 0.0415 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5166 -2.5166 -1.5707 -1.5707 2.1964 2.1964 3.4390 3.4390 4.7977 4.7977 5.8654 5.8654 6.2309 6.2309 7.5889 7.5889 10.2351 10.2351 12.7650 12.7650 13.4808 13.4808 14.6234 14.6234 k = 0.5000 0.2887 0.0311 ( 2968 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5191 -2.5191 -1.5699 -1.5699 2.2074 2.2074 3.4609 3.4609 4.7703 4.7703 5.8622 5.8622 6.2024 6.2024 7.5958 7.5958 10.2436 10.2436 12.8433 12.8433 13.3893 13.3893 14.6050 14.6050 k = 0.5000 0.2887 0.0207 ( 2964 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5209 -2.5209 -1.5693 -1.5693 2.2155 2.2155 3.4769 3.4769 4.7506 4.7506 5.8599 5.8599 6.1814 6.1814 7.6008 7.6008 10.2496 10.2496 12.9255 12.9255 13.2974 13.2974 14.5918 14.5918 k = 0.5000 0.2887 0.0104 ( 2966 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3506 -33.3506 -33.3446 -33.3446 -2.5220 -2.5220 -1.5690 -1.5690 2.2204 2.2204 3.4866 3.4866 4.7387 4.7387 5.8586 5.8586 6.1686 6.1686 7.6038 7.6038 10.2532 10.2532 13.0087 13.0087 13.2082 13.2082 14.5839 14.5839 k = 0.5000 0.2887-0.0000 ( 2970 PWs) bands (ev): -66.6913 -66.6913 -33.6358 -33.6358 -33.3507 -33.3507 -33.3446 -33.3446 -2.5224 -2.5224 -1.5689 -1.5689 2.2221 2.2221 3.4899 3.4899 4.7347 4.7347 5.8581 5.8581 6.1643 6.1643 7.6048 7.6048 10.2544 10.2544 13.0670 13.0670 13.1478 13.1478 14.5812 14.5812 k = 0.3333 0.5774-0.0000 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7540 -1.7540 -1.7506 -1.7506 2.7734 2.7734 3.7483 3.7483 3.7499 3.7499 5.3432 5.3432 5.7545 5.7545 5.7562 5.7562 10.5159 10.5159 14.6608 14.6608 14.6608 14.6608 15.2193 15.2193 k = 0.3333 0.5774 0.0104 ( 2970 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7538 -1.7538 -1.7504 -1.7504 2.7742 2.7742 3.7450 3.7450 3.7466 3.7466 5.3409 5.3409 5.7596 5.7596 5.7613 5.7613 10.5202 10.5202 14.6448 14.6448 14.6449 14.6449 15.2193 15.2193 k = 0.3333 0.5774 0.0207 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7534 -1.7534 -1.7499 -1.7499 2.7764 2.7764 3.7352 3.7352 3.7367 3.7367 5.3341 5.3341 5.7748 5.7748 5.7764 5.7764 10.5330 10.5330 14.5989 14.5989 14.5989 14.5989 15.2193 15.2193 k = 0.3333 0.5774 0.0311 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7526 -1.7526 -1.7491 -1.7491 2.7800 2.7800 3.7192 3.7192 3.7207 3.7207 5.3228 5.3228 5.7997 5.7997 5.8013 5.8013 10.5543 10.5543 14.5276 14.5276 14.5277 14.5277 15.2193 15.2193 k = 0.3333 0.5774 0.0415 ( 2973 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7515 -1.7515 -1.7480 -1.7480 2.7852 2.7852 3.6977 3.6977 3.6991 3.6991 5.3073 5.3073 5.8336 5.8336 5.8351 5.8351 10.5839 10.5839 14.4367 14.4367 14.4369 14.4369 15.2192 15.2192 k = 0.3333 0.5774 0.0518 ( 2973 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7501 -1.7501 -1.7466 -1.7466 2.7917 2.7917 3.6713 3.6713 3.6726 3.6726 5.2878 5.2878 5.8759 5.8759 5.8773 5.8773 10.6214 10.6214 14.3313 14.3313 14.3317 14.3317 15.2191 15.2191 k = 0.3333 0.5774 0.0622 ( 2967 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7484 -1.7484 -1.7450 -1.7450 2.7996 2.7996 3.6408 3.6408 3.6420 3.6420 5.2645 5.2645 5.9256 5.9256 5.9268 5.9268 10.6666 10.6666 14.2156 14.2156 14.2162 14.2162 15.2187 15.2187 k = 0.3333 0.5774 0.0726 ( 2967 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7465 -1.7465 -1.7431 -1.7431 2.8088 2.8088 3.6070 3.6070 3.6081 3.6081 5.2378 5.2378 5.9818 5.9818 5.9829 5.9829 10.7190 10.7190 14.0928 14.0928 14.0935 14.0935 15.2181 15.2181 k = 0.3333 0.5774 0.0829 ( 2955 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7444 -1.7444 -1.7409 -1.7409 2.8192 2.8192 3.5707 3.5707 3.5718 3.5718 5.2081 5.2081 6.0435 6.0435 6.0445 6.0445 10.7782 10.7782 13.9652 13.9652 13.9661 13.9661 15.2172 15.2172 k = 0.3333 0.5774 0.0933 ( 2952 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7420 -1.7420 -1.7386 -1.7386 2.8309 2.8309 3.5327 3.5327 3.5336 3.5336 5.1756 5.1756 6.1099 6.1099 6.1108 6.1108 10.8437 10.8437 13.8348 13.8348 13.8358 13.8358 15.2157 15.2157 k = 0.3333 0.5774 0.1037 ( 2952 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7395 -1.7395 -1.7360 -1.7360 2.8437 2.8437 3.4935 3.4935 3.4943 3.4943 5.1409 5.1409 6.1802 6.1802 6.1809 6.1809 10.9150 10.9150 13.7029 13.7029 13.7041 13.7041 15.2136 15.2136 k = 0.3333 0.5774 0.1140 ( 2955 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7368 -1.7368 -1.7333 -1.7333 2.8574 2.8574 3.4539 3.4539 3.4546 3.4546 5.1043 5.1043 6.2533 6.2533 6.2539 6.2539 10.9915 10.9915 13.5708 13.5708 13.5722 13.5722 15.2107 15.2107 k = 0.3333 0.5774 0.1244 ( 2955 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3470 -33.3470 -1.7340 -1.7340 -1.7305 -1.7305 2.8721 2.8721 3.4143 3.4143 3.4149 3.4149 5.0664 5.0664 6.3286 6.3286 6.3290 6.3290 11.0725 11.0725 13.4396 13.4396 13.4412 13.4412 15.2068 15.2068 k = 0.3333 0.5774 0.1348 ( 2982 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7312 -1.7312 -1.7277 -1.7277 2.8876 2.8876 3.3752 3.3752 3.3758 3.3758 5.0274 5.0274 6.4052 6.4052 6.4055 6.4055 11.1574 11.1574 13.3101 13.3101 13.3119 13.3119 15.2016 15.2016 k = 0.3333 0.5774 0.1451 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7282 -1.7282 -1.7247 -1.7247 2.9036 2.9036 3.3371 3.3371 3.3376 3.3376 4.9880 4.9880 6.4825 6.4825 6.4826 6.4826 11.2455 11.2455 13.1833 13.1833 13.1852 13.1852 15.1950 15.1950 k = 0.3333 0.5774 0.1555 ( 2985 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7253 -1.7253 -1.7218 -1.7218 2.9202 2.9202 3.3004 3.3004 3.3007 3.3007 4.9485 4.9485 6.5595 6.5595 6.5596 6.5596 11.3360 11.3360 13.0600 13.0600 13.0621 13.0621 15.1867 15.1867 k = 0.3333 0.5774 0.1659 ( 2973 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7224 -1.7224 -1.7189 -1.7189 2.9370 2.9370 3.2652 3.2652 3.2655 3.2655 4.9094 4.9094 6.6355 6.6355 6.6357 6.6357 11.4280 11.4280 12.9410 12.9410 12.9432 12.9432 15.1763 15.1763 k = 0.3333 0.5774 0.1762 ( 2973 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7196 -1.7196 -1.7160 -1.7160 2.9539 2.9539 3.2320 3.2320 3.2322 3.2322 4.8711 4.8711 6.7097 6.7097 6.7101 6.7101 11.5205 11.5205 12.8270 12.8270 12.8294 12.8294 15.1638 15.1638 k = 0.3333 0.5774 0.1866 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7168 -1.7168 -1.7133 -1.7133 2.9706 2.9706 3.2009 3.2009 3.2011 3.2011 4.8341 4.8341 6.7814 6.7814 6.7819 6.7819 11.6127 11.6127 12.7190 12.7190 12.7215 12.7215 15.1488 15.1488 k = 0.3333 0.5774 0.1970 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7142 -1.7142 -1.7106 -1.7106 2.9870 2.9870 3.1722 3.1722 3.1723 3.1723 4.7988 4.7988 6.8498 6.8498 6.8504 6.8504 11.7032 11.7032 12.6177 12.6177 12.6203 12.6203 15.1314 15.1314 k = 0.3333 0.5774 0.2073 ( 2979 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7118 -1.7118 -1.7082 -1.7082 3.0027 3.0027 3.1461 3.1461 3.1461 3.1461 4.7657 4.7657 6.9140 6.9140 6.9148 6.9148 11.7909 11.7909 12.5239 12.5239 12.5267 12.5267 15.1115 15.1115 k = 0.3333 0.5774 0.2177 ( 2982 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7095 -1.7095 -1.7060 -1.7060 3.0175 3.0175 3.1227 3.1227 3.1227 3.1227 4.7352 4.7352 6.9733 6.9733 6.9741 6.9741 11.8742 11.8742 12.4386 12.4386 12.4416 12.4416 15.0896 15.0896 k = 0.3333 0.5774 0.2281 ( 2985 PWs) bands (ev): -66.6912 -66.6912 -33.6363 -33.6363 -33.3495 -33.3495 -33.3471 -33.3471 -1.7075 -1.7075 -1.7040 -1.7040 3.0311 3.0311 3.1021 3.1021 3.1021 3.1021 4.7076 4.7076 7.0267 7.0267 7.0277 7.0277 11.9516 11.9516 12.3626 12.3626 12.3656 12.3656 15.0663 15.0663 k = 0.3333 0.5774 0.2384 ( 2991 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7058 -1.7058 -1.7022 -1.7022 3.0432 3.0432 3.0845 3.0845 3.0846 3.0846 4.6836 4.6836 7.0736 7.0736 7.0747 7.0747 12.0214 12.0214 12.2965 12.2965 12.2997 12.2997 15.0426 15.0426 k = 0.3333 0.5774 0.2488 ( 3000 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3496 -33.3496 -33.3471 -33.3471 -1.7043 -1.7043 -1.7007 -1.7007 3.0536 3.0536 3.0699 3.0699 3.0700 3.0700 4.6633 4.6633 7.1131 7.1131 7.1142 7.1142 12.0818 12.0818 12.2413 12.2413 12.2445 12.2445 15.0199 15.0199 k = 0.3333 0.5774 0.2592 ( 3000 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3496 -33.3496 -33.3471 -33.3471 -1.7032 -1.7032 -1.6996 -1.6996 3.0585 3.0585 3.0587 3.0587 3.0620 3.0620 4.6471 4.6471 7.1446 7.1446 7.1458 7.1458 12.1310 12.1310 12.1977 12.1977 12.2009 12.2009 14.9999 14.9999 k = 0.3333 0.5774 0.2695 ( 3000 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3496 -33.3496 -33.3471 -33.3471 -1.7024 -1.7024 -1.6987 -1.6987 3.0504 3.0504 3.0505 3.0505 3.0681 3.0681 4.6354 4.6354 7.1676 7.1676 7.1688 7.1688 12.1632 12.1632 12.1693 12.1693 12.1705 12.1705 14.9840 14.9840 k = 0.3333 0.5774 0.2799 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7018 -1.7018 -1.6982 -1.6982 3.0455 3.0455 3.0456 3.0456 3.0718 3.0718 4.6283 4.6283 7.1815 7.1815 7.1828 7.1828 12.1464 12.1464 12.1501 12.1501 12.1907 12.1907 14.9739 14.9739 k = 0.3333 0.5774 0.2903 ( 2988 PWs) bands (ev): -66.6912 -66.6912 -33.6364 -33.6364 -33.3495 -33.3495 -33.3471 -33.3471 -1.7017 -1.7017 -1.6981 -1.6981 3.0438 3.0438 3.0440 3.0440 3.0731 3.0731 4.6259 4.6259 7.1862 7.1862 7.1875 7.1875 12.1401 12.1401 12.1437 12.1437 12.1982 12.1982 14.9704 14.9704 Writing output data file MgxAlCx2.save init_run : 0.31s CPU 0.78s WALL ( 1 calls) electrons : 67.65s CPU 70.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.17s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 67.65s CPU 70.70s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 391 calls) cegterg : 60.26s CPU 61.46s WALL ( 433 calls) Called by sum_band: Called by *egterg: h_psi : 30.42s CPU 31.13s WALL ( 7545 calls) s_psi : 1.91s CPU 2.02s WALL ( 7545 calls) g_psi : 0.11s CPU 0.13s WALL ( 6721 calls) cdiaghg : 26.66s CPU 27.07s WALL ( 7112 calls) cegterg:over : 2.23s CPU 2.18s WALL ( 6721 calls) cegterg:upda : 1.62s CPU 1.66s WALL ( 6721 calls) cegterg:last : 1.01s CPU 1.02s WALL ( 1220 calls) cdiaghg:chol : 1.37s CPU 1.42s WALL ( 7112 calls) cdiaghg:inve : 0.80s CPU 0.70s WALL ( 7112 calls) cdiaghg:para : 1.64s CPU 1.55s WALL ( 14224 calls) Called by h_psi: h_psi:vloc : 25.57s CPU 26.22s WALL ( 7545 calls) h_psi:vnl : 4.78s CPU 4.83s WALL ( 7545 calls) add_vuspsi : 2.42s CPU 2.50s WALL ( 7545 calls) General routines calbec : 2.34s CPU 2.32s WALL ( 7545 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.72s CPU 24.36s WALL ( 522980 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.17s WALL ( 782 calls) Parallel routines fft_scatter : 11.64s CPU 12.22s WALL ( 523003 calls) PWSCF : 1m19.14s CPU 1m54.83s WALL This run was terminated on: 16: 7:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=