----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:43:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.327507209414810 1.343786913896433 4.967275543333328 b -2.327507209414806 1.343786913896433 4.967275543333328 c 0.000000000000002 -2.687573827792869 4.967275543333328 Atomic positions (fractional): *1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 *3 O 0.47235401007282 0.02764598992718 0.75000000000000 15.999 4 O 0.75000000000000 0.47235401007282 0.02764598992718 15.999 5 O 0.97235401007282 0.25000000000000 0.52764598992718 15.999 6 O 0.52764598992718 0.97235401007282 0.25000000000000 15.999 7 O 0.25000000000000 0.52764598992718 0.97235401007282 15.999 8 O 0.02764598992718 0.75000000000000 0.47235401007282 15.999 *9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.655014418829616 0.000000000000000 0.000000000000000 b -2.327507209414808 4.031360741689302 0.000000000000000 c 0.000000000000000 0.000000000000000 14.901826629999999 Atomic positions (fractional): *1 C 0.66666666666667 0.33333333333333 0.08333333333333 12.011 > 1 2 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 3 C 0.33333333333333 0.66666666666667 0.41666666666667 12.011 > 1 4 C 0.66666666666667 0.33333333333333 0.58333333333333 12.011 > 2 5 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 6 C 0.33333333333333 0.66666666666667 0.91666666666667 12.011 > 2 *7 O 0.38902067673949 0.33333333333333 0.08333333333333 15.999 > 3 8 O 0.66666666666667 0.05568734340615 0.08333333333333 15.999 > 4 9 O 0.72235401007282 0.72235401007282 0.25000000000000 15.999 > 5 10 O 0.27764598992718 0.00000000000000 0.25000000000000 15.999 > 6 11 O 0.00000000000000 0.27764598992718 0.25000000000000 15.999 > 7 12 O 0.94431265659385 0.61097932326051 0.08333333333333 15.999 > 8 13 O 0.05568734340615 0.66666666666667 0.41666666666667 15.999 > 3 14 O 0.33333333333333 0.38902067673949 0.41666666666667 15.999 > 4 15 O 0.38902067673949 0.05568734340615 0.58333333333333 15.999 > 5 16 O 0.94431265659385 0.33333333333333 0.58333333333333 15.999 > 6 17 O 0.66666666666667 0.61097932326051 0.58333333333333 15.999 > 7 18 O 0.61097932326051 0.94431265659385 0.41666666666667 15.999 > 8 19 O 0.72235401007282 0.00000000000000 0.75000000000000 15.999 > 3 20 O 0.00000000000000 0.72235401007282 0.75000000000000 15.999 > 4 21 O 0.05568734340615 0.38902067673949 0.91666666666667 15.999 > 5 22 O 0.61097932326051 0.66666666666667 0.91666666666667 15.999 > 6 23 O 0.33333333333333 0.94431265659385 0.91666666666667 15.999 > 7 24 O 0.27764598992718 0.27764598992718 0.75000000000000 15.999 > 8 *25 Mg 0.33333333333333 0.66666666666667 0.16666666666667 24.305 > 9 26 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 10 27 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 28 Mg 0.66666666666667 0.33333333333333 0.33333333333333 24.305 > 10 29 Mg 0.66666666666667 0.33333333333333 0.83333333333333 24.305 > 9 30 Mg 0.33333333333333 0.66666666666667 0.66666666666667 24.305 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.310028837659232 0.000000000000000 0.000000000000000 b -4.655014418829616 8.062721483378605 0.000000000000000 c 0.000000000000000 0.000000000000000 14.901826629999999 Atomic positions (fractional): *1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 2 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 2 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 2 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 2 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 2 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 2 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 2 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 2 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 2 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 2 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 2 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 2 *25 O 0.19451033836974 0.16666666666667 0.08333333333333 15.999 > 3 26 O 0.69451033836974 0.16666666666667 0.08333333333333 15.999 > 3 27 O 0.19451033836974 0.66666666666667 0.08333333333333 15.999 > 3 28 O 0.69451033836974 0.66666666666667 0.08333333333333 15.999 > 3 29 O 0.33333333333333 0.02784367170308 0.08333333333333 15.999 > 4 30 O 0.83333333333333 0.02784367170308 0.08333333333333 15.999 > 4 31 O 0.33333333333333 0.52784367170308 0.08333333333333 15.999 > 4 32 O 0.83333333333333 0.52784367170308 0.08333333333333 15.999 > 4 33 O 0.36117700503641 0.36117700503641 0.25000000000000 15.999 > 5 34 O 0.86117700503641 0.36117700503641 0.25000000000000 15.999 > 5 35 O 0.36117700503641 0.86117700503641 0.25000000000000 15.999 > 5 36 O 0.86117700503641 0.86117700503641 0.25000000000000 15.999 > 5 37 O 0.13882299496359 0.00000000000000 0.25000000000000 15.999 > 6 38 O 0.63882299496359 0.00000000000000 0.25000000000000 15.999 > 6 39 O 0.13882299496359 0.50000000000000 0.25000000000000 15.999 > 6 40 O 0.63882299496359 0.50000000000000 0.25000000000000 15.999 > 6 41 O 0.00000000000000 0.13882299496359 0.25000000000000 15.999 > 7 42 O 0.50000000000000 0.13882299496359 0.25000000000000 15.999 > 7 43 O 0.00000000000000 0.63882299496359 0.25000000000000 15.999 > 7 44 O 0.50000000000000 0.63882299496359 0.25000000000000 15.999 > 7 45 O 0.47215632829692 0.30548966163026 0.08333333333333 15.999 > 8 46 O 0.97215632829692 0.30548966163026 0.08333333333333 15.999 > 8 47 O 0.47215632829692 0.80548966163026 0.08333333333333 15.999 > 8 48 O 0.97215632829692 0.80548966163026 0.08333333333333 15.999 > 8 49 O 0.02784367170308 0.33333333333333 0.41666666666667 15.999 > 3 50 O 0.52784367170308 0.33333333333333 0.41666666666667 15.999 > 3 51 O 0.02784367170308 0.83333333333333 0.41666666666667 15.999 > 3 52 O 0.52784367170308 0.83333333333333 0.41666666666667 15.999 > 3 53 O 0.16666666666667 0.19451033836974 0.41666666666667 15.999 > 4 54 O 0.66666666666667 0.19451033836974 0.41666666666667 15.999 > 4 55 O 0.16666666666667 0.69451033836974 0.41666666666667 15.999 > 4 56 O 0.66666666666667 0.69451033836974 0.41666666666667 15.999 > 4 57 O 0.19451033836974 0.02784367170308 0.58333333333333 15.999 > 5 58 O 0.69451033836974 0.02784367170308 0.58333333333333 15.999 > 5 59 O 0.19451033836974 0.52784367170308 0.58333333333333 15.999 > 5 60 O 0.69451033836974 0.52784367170308 0.58333333333333 15.999 > 5 61 O 0.47215632829692 0.16666666666667 0.58333333333333 15.999 > 6 62 O 0.97215632829692 0.16666666666667 0.58333333333333 15.999 > 6 63 O 0.47215632829692 0.66666666666667 0.58333333333333 15.999 > 6 64 O 0.97215632829692 0.66666666666667 0.58333333333333 15.999 > 6 65 O 0.33333333333333 0.30548966163026 0.58333333333333 15.999 > 7 66 O 0.83333333333333 0.30548966163026 0.58333333333333 15.999 > 7 67 O 0.33333333333333 0.80548966163026 0.58333333333333 15.999 > 7 68 O 0.83333333333333 0.80548966163026 0.58333333333333 15.999 > 7 69 O 0.30548966163026 0.47215632829692 0.41666666666667 15.999 > 8 70 O 0.80548966163026 0.47215632829692 0.41666666666667 15.999 > 8 71 O 0.30548966163026 0.97215632829692 0.41666666666667 15.999 > 8 72 O 0.80548966163026 0.97215632829692 0.41666666666667 15.999 > 8 73 O 0.36117700503641 0.00000000000000 0.75000000000000 15.999 > 3 74 O 0.86117700503641 0.00000000000000 0.75000000000000 15.999 > 3 75 O 0.36117700503641 0.50000000000000 0.75000000000000 15.999 > 3 76 O 0.86117700503641 0.50000000000000 0.75000000000000 15.999 > 3 77 O 0.00000000000000 0.36117700503641 0.75000000000000 15.999 > 4 78 O 0.50000000000000 0.36117700503641 0.75000000000000 15.999 > 4 79 O 0.00000000000000 0.86117700503641 0.75000000000000 15.999 > 4 80 O 0.50000000000000 0.86117700503641 0.75000000000000 15.999 > 4 81 O 0.02784367170308 0.19451033836974 0.91666666666667 15.999 > 5 82 O 0.52784367170308 0.19451033836974 0.91666666666667 15.999 > 5 83 O 0.02784367170308 0.69451033836974 0.91666666666667 15.999 > 5 84 O 0.52784367170308 0.69451033836974 0.91666666666667 15.999 > 5 85 O 0.30548966163026 0.33333333333333 0.91666666666667 15.999 > 6 86 O 0.80548966163026 0.33333333333333 0.91666666666667 15.999 > 6 87 O 0.30548966163026 0.83333333333333 0.91666666666667 15.999 > 6 88 O 0.80548966163026 0.83333333333333 0.91666666666667 15.999 > 6 89 O 0.16666666666667 0.47215632829692 0.91666666666667 15.999 > 7 90 O 0.66666666666667 0.47215632829692 0.91666666666667 15.999 > 7 91 O 0.16666666666667 0.97215632829692 0.91666666666667 15.999 > 7 92 O 0.66666666666667 0.97215632829692 0.91666666666667 15.999 > 7 93 O 0.13882299496359 0.13882299496359 0.75000000000000 15.999 > 8 94 O 0.63882299496359 0.13882299496359 0.75000000000000 15.999 > 8 95 O 0.13882299496359 0.63882299496359 0.75000000000000 15.999 > 8 96 O 0.63882299496359 0.63882299496359 0.75000000000000 15.999 > 8 *97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 9 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 9 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 9 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 9 101 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 10 102 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 10 103 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 10 104 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 10 105 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 9 106 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 9 107 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 9 108 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 9 109 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 10 110 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 10 111 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 10 112 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 10 113 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 9 114 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 9 115 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 9 116 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 9 117 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 10 118 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 10 119 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 10 120 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0358503 0.0000000 0.0000000 0.0000000 3.0358503 0.0000000 0.0000000 0.0000000 2.3937040 -------------------------- Born effective charges -------------------------- 1 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 2 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 3 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 4 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 5 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 6 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 7 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 8 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 9 Mg 2.3113324 -0.2904210 0.0000000 0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 10 Mg 2.3113324 0.2904210 0.0000000 -0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 265 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 160 - Time: 0.448 Solver_block: 160 / 160 - Time: 0.302 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.766 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 510 Number of blocks in projector: 265 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:43:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:43:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.327507209414810 1.343786913896433 4.967275543333328 b -2.327507209414806 1.343786913896433 4.967275543333328 c 0.000000000000002 -2.687573827792869 4.967275543333328 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.47235401007282 0.02764598992718 0.75000000000000 15.999 4 O 0.75000000000000 0.47235401007282 0.02764598992718 15.999 5 O 0.97235401007282 0.25000000000000 0.52764598992718 15.999 6 O 0.52764598992718 0.97235401007282 0.25000000000000 15.999 7 O 0.25000000000000 0.52764598992718 0.97235401007282 15.999 8 O 0.02764598992718 0.75000000000000 0.47235401007282 15.999 9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.310028837659232 0.000000000000000 0.000000000000000 b -4.655014418829616 8.062721483378605 0.000000000000000 c 0.000000000000000 0.000000000000000 14.901826629999999 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.19451033836974 0.16666666666667 0.08333333333333 15.999 > 25 26 O 0.69451033836974 0.16666666666667 0.08333333333333 15.999 > 25 27 O 0.19451033836974 0.66666666666667 0.08333333333333 15.999 > 25 28 O 0.69451033836974 0.66666666666667 0.08333333333333 15.999 > 25 29 O 0.33333333333333 0.02784367170308 0.08333333333333 15.999 > 29 30 O 0.83333333333333 0.02784367170308 0.08333333333333 15.999 > 29 31 O 0.33333333333333 0.52784367170308 0.08333333333333 15.999 > 29 32 O 0.83333333333333 0.52784367170308 0.08333333333333 15.999 > 29 33 O 0.36117700503641 0.36117700503641 0.25000000000000 15.999 > 33 34 O 0.86117700503641 0.36117700503641 0.25000000000000 15.999 > 33 35 O 0.36117700503641 0.86117700503641 0.25000000000000 15.999 > 33 36 O 0.86117700503641 0.86117700503641 0.25000000000000 15.999 > 33 37 O 0.13882299496359 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.63882299496359 0.00000000000000 0.25000000000000 15.999 > 37 39 O 0.13882299496359 0.50000000000000 0.25000000000000 15.999 > 37 40 O 0.63882299496359 0.50000000000000 0.25000000000000 15.999 > 37 41 O 0.00000000000000 0.13882299496359 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.13882299496359 0.25000000000000 15.999 > 41 43 O 0.00000000000000 0.63882299496359 0.25000000000000 15.999 > 41 44 O 0.50000000000000 0.63882299496359 0.25000000000000 15.999 > 41 45 O 0.47215632829692 0.30548966163026 0.08333333333333 15.999 > 45 46 O 0.97215632829692 0.30548966163026 0.08333333333333 15.999 > 45 47 O 0.47215632829692 0.80548966163026 0.08333333333333 15.999 > 45 48 O 0.97215632829692 0.80548966163026 0.08333333333333 15.999 > 45 49 O 0.02784367170308 0.33333333333333 0.41666666666667 15.999 > 25 50 O 0.52784367170308 0.33333333333333 0.41666666666667 15.999 > 25 51 O 0.02784367170308 0.83333333333333 0.41666666666667 15.999 > 25 52 O 0.52784367170308 0.83333333333333 0.41666666666667 15.999 > 25 53 O 0.16666666666667 0.19451033836974 0.41666666666667 15.999 > 29 54 O 0.66666666666667 0.19451033836974 0.41666666666667 15.999 > 29 55 O 0.16666666666667 0.69451033836974 0.41666666666667 15.999 > 29 56 O 0.66666666666667 0.69451033836974 0.41666666666667 15.999 > 29 57 O 0.19451033836974 0.02784367170308 0.58333333333333 15.999 > 33 58 O 0.69451033836974 0.02784367170308 0.58333333333333 15.999 > 33 59 O 0.19451033836974 0.52784367170308 0.58333333333333 15.999 > 33 60 O 0.69451033836974 0.52784367170308 0.58333333333333 15.999 > 33 61 O 0.47215632829692 0.16666666666667 0.58333333333333 15.999 > 37 62 O 0.97215632829692 0.16666666666667 0.58333333333333 15.999 > 37 63 O 0.47215632829692 0.66666666666667 0.58333333333333 15.999 > 37 64 O 0.97215632829692 0.66666666666667 0.58333333333333 15.999 > 37 65 O 0.33333333333333 0.30548966163026 0.58333333333333 15.999 > 41 66 O 0.83333333333333 0.30548966163026 0.58333333333333 15.999 > 41 67 O 0.33333333333333 0.80548966163026 0.58333333333333 15.999 > 41 68 O 0.83333333333333 0.80548966163026 0.58333333333333 15.999 > 41 69 O 0.30548966163026 0.47215632829692 0.41666666666667 15.999 > 45 70 O 0.80548966163026 0.47215632829692 0.41666666666667 15.999 > 45 71 O 0.30548966163026 0.97215632829692 0.41666666666667 15.999 > 45 72 O 0.80548966163026 0.97215632829692 0.41666666666667 15.999 > 45 73 O 0.36117700503641 0.00000000000000 0.75000000000000 15.999 > 25 74 O 0.86117700503641 0.00000000000000 0.75000000000000 15.999 > 25 75 O 0.36117700503641 0.50000000000000 0.75000000000000 15.999 > 25 76 O 0.86117700503641 0.50000000000000 0.75000000000000 15.999 > 25 77 O 0.00000000000000 0.36117700503641 0.75000000000000 15.999 > 29 78 O 0.50000000000000 0.36117700503641 0.75000000000000 15.999 > 29 79 O 0.00000000000000 0.86117700503641 0.75000000000000 15.999 > 29 80 O 0.50000000000000 0.86117700503641 0.75000000000000 15.999 > 29 81 O 0.02784367170308 0.19451033836974 0.91666666666667 15.999 > 33 82 O 0.52784367170308 0.19451033836974 0.91666666666667 15.999 > 33 83 O 0.02784367170308 0.69451033836974 0.91666666666667 15.999 > 33 84 O 0.52784367170308 0.69451033836974 0.91666666666667 15.999 > 33 85 O 0.30548966163026 0.33333333333333 0.91666666666667 15.999 > 37 86 O 0.80548966163026 0.33333333333333 0.91666666666667 15.999 > 37 87 O 0.30548966163026 0.83333333333333 0.91666666666667 15.999 > 37 88 O 0.80548966163026 0.83333333333333 0.91666666666667 15.999 > 37 89 O 0.16666666666667 0.47215632829692 0.91666666666667 15.999 > 41 90 O 0.66666666666667 0.47215632829692 0.91666666666667 15.999 > 41 91 O 0.16666666666667 0.97215632829692 0.91666666666667 15.999 > 41 92 O 0.66666666666667 0.97215632829692 0.91666666666667 15.999 > 41 93 O 0.13882299496359 0.13882299496359 0.75000000000000 15.999 > 45 94 O 0.63882299496359 0.13882299496359 0.75000000000000 15.999 > 45 95 O 0.13882299496359 0.63882299496359 0.75000000000000 15.999 > 45 96 O 0.63882299496359 0.63882299496359 0.75000000000000 15.999 > 45 97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 97 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 97 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 97 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 101 102 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 101 103 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 101 104 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 101 105 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 106 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 107 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 108 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 109 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 101 110 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 101 111 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 101 112 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 101 113 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 97 114 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 97 115 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 97 116 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 97 117 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 101 118 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 101 119 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 101 120 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0358503 0.0000000 0.0000000 0.0000000 3.0358503 0.0000000 0.0000000 0.0000000 2.3937040 -------------------------- Born effective charges -------------------------- 1 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 2 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 3 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 4 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 5 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 6 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 7 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 8 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 9 Mg 2.3113324 -0.2904210 0.0000000 0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 10 Mg 2.3113324 0.2904210 0.0000000 -0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:44:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:44:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.327507209414810 1.343786913896433 4.967275543333328 b -2.327507209414806 1.343786913896433 4.967275543333328 c 0.000000000000002 -2.687573827792869 4.967275543333328 Atomic positions (fractional): 1 C 0.75000000000000 0.75000000000000 0.75000000000000 12.011 2 C 0.25000000000000 0.25000000000000 0.25000000000000 12.011 3 O 0.47235401007282 0.02764598992718 0.75000000000000 15.999 4 O 0.75000000000000 0.47235401007282 0.02764598992718 15.999 5 O 0.97235401007282 0.25000000000000 0.52764598992718 15.999 6 O 0.52764598992718 0.97235401007282 0.25000000000000 15.999 7 O 0.25000000000000 0.52764598992718 0.97235401007282 15.999 8 O 0.02764598992718 0.75000000000000 0.47235401007282 15.999 9 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 10 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.310028837659232 0.000000000000000 0.000000000000000 b -4.655014418829616 8.062721483378605 0.000000000000000 c 0.000000000000000 0.000000000000000 14.901826629999999 Atomic positions (fractional): 1 C 0.33333333333333 0.16666666666667 0.08333333333333 12.011 > 1 2 C 0.83333333333333 0.16666666666667 0.08333333333333 12.011 > 1 3 C 0.33333333333333 0.66666666666667 0.08333333333333 12.011 > 1 4 C 0.83333333333333 0.66666666666667 0.08333333333333 12.011 > 1 5 C 0.00000000000000 0.00000000000000 0.25000000000000 12.011 > 5 6 C 0.50000000000000 0.00000000000000 0.25000000000000 12.011 > 5 7 C 0.00000000000000 0.50000000000000 0.25000000000000 12.011 > 5 8 C 0.50000000000000 0.50000000000000 0.25000000000000 12.011 > 5 9 C 0.16666666666667 0.33333333333333 0.41666666666667 12.011 > 1 10 C 0.66666666666667 0.33333333333333 0.41666666666667 12.011 > 1 11 C 0.16666666666667 0.83333333333333 0.41666666666667 12.011 > 1 12 C 0.66666666666667 0.83333333333333 0.41666666666667 12.011 > 1 13 C 0.33333333333333 0.16666666666667 0.58333333333333 12.011 > 5 14 C 0.83333333333333 0.16666666666667 0.58333333333333 12.011 > 5 15 C 0.33333333333333 0.66666666666667 0.58333333333333 12.011 > 5 16 C 0.83333333333333 0.66666666666667 0.58333333333333 12.011 > 5 17 C 0.00000000000000 0.00000000000000 0.75000000000000 12.011 > 1 18 C 0.50000000000000 0.00000000000000 0.75000000000000 12.011 > 1 19 C 0.00000000000000 0.50000000000000 0.75000000000000 12.011 > 1 20 C 0.50000000000000 0.50000000000000 0.75000000000000 12.011 > 1 21 C 0.16666666666667 0.33333333333333 0.91666666666667 12.011 > 5 22 C 0.66666666666667 0.33333333333333 0.91666666666667 12.011 > 5 23 C 0.16666666666667 0.83333333333333 0.91666666666667 12.011 > 5 24 C 0.66666666666667 0.83333333333333 0.91666666666667 12.011 > 5 25 O 0.19451033836974 0.16666666666667 0.08333333333333 15.999 > 25 26 O 0.69451033836974 0.16666666666667 0.08333333333333 15.999 > 25 27 O 0.19451033836974 0.66666666666667 0.08333333333333 15.999 > 25 28 O 0.69451033836974 0.66666666666667 0.08333333333333 15.999 > 25 29 O 0.33333333333333 0.02784367170308 0.08333333333333 15.999 > 29 30 O 0.83333333333333 0.02784367170308 0.08333333333333 15.999 > 29 31 O 0.33333333333333 0.52784367170308 0.08333333333333 15.999 > 29 32 O 0.83333333333333 0.52784367170308 0.08333333333333 15.999 > 29 33 O 0.36117700503641 0.36117700503641 0.25000000000000 15.999 > 33 34 O 0.86117700503641 0.36117700503641 0.25000000000000 15.999 > 33 35 O 0.36117700503641 0.86117700503641 0.25000000000000 15.999 > 33 36 O 0.86117700503641 0.86117700503641 0.25000000000000 15.999 > 33 37 O 0.13882299496359 0.00000000000000 0.25000000000000 15.999 > 37 38 O 0.63882299496359 0.00000000000000 0.25000000000000 15.999 > 37 39 O 0.13882299496359 0.50000000000000 0.25000000000000 15.999 > 37 40 O 0.63882299496359 0.50000000000000 0.25000000000000 15.999 > 37 41 O 0.00000000000000 0.13882299496359 0.25000000000000 15.999 > 41 42 O 0.50000000000000 0.13882299496359 0.25000000000000 15.999 > 41 43 O 0.00000000000000 0.63882299496359 0.25000000000000 15.999 > 41 44 O 0.50000000000000 0.63882299496359 0.25000000000000 15.999 > 41 45 O 0.47215632829692 0.30548966163026 0.08333333333333 15.999 > 45 46 O 0.97215632829692 0.30548966163026 0.08333333333333 15.999 > 45 47 O 0.47215632829692 0.80548966163026 0.08333333333333 15.999 > 45 48 O 0.97215632829692 0.80548966163026 0.08333333333333 15.999 > 45 49 O 0.02784367170308 0.33333333333333 0.41666666666667 15.999 > 25 50 O 0.52784367170308 0.33333333333333 0.41666666666667 15.999 > 25 51 O 0.02784367170308 0.83333333333333 0.41666666666667 15.999 > 25 52 O 0.52784367170308 0.83333333333333 0.41666666666667 15.999 > 25 53 O 0.16666666666667 0.19451033836974 0.41666666666667 15.999 > 29 54 O 0.66666666666667 0.19451033836974 0.41666666666667 15.999 > 29 55 O 0.16666666666667 0.69451033836974 0.41666666666667 15.999 > 29 56 O 0.66666666666667 0.69451033836974 0.41666666666667 15.999 > 29 57 O 0.19451033836974 0.02784367170308 0.58333333333333 15.999 > 33 58 O 0.69451033836974 0.02784367170308 0.58333333333333 15.999 > 33 59 O 0.19451033836974 0.52784367170308 0.58333333333333 15.999 > 33 60 O 0.69451033836974 0.52784367170308 0.58333333333333 15.999 > 33 61 O 0.47215632829692 0.16666666666667 0.58333333333333 15.999 > 37 62 O 0.97215632829692 0.16666666666667 0.58333333333333 15.999 > 37 63 O 0.47215632829692 0.66666666666667 0.58333333333333 15.999 > 37 64 O 0.97215632829692 0.66666666666667 0.58333333333333 15.999 > 37 65 O 0.33333333333333 0.30548966163026 0.58333333333333 15.999 > 41 66 O 0.83333333333333 0.30548966163026 0.58333333333333 15.999 > 41 67 O 0.33333333333333 0.80548966163026 0.58333333333333 15.999 > 41 68 O 0.83333333333333 0.80548966163026 0.58333333333333 15.999 > 41 69 O 0.30548966163026 0.47215632829692 0.41666666666667 15.999 > 45 70 O 0.80548966163026 0.47215632829692 0.41666666666667 15.999 > 45 71 O 0.30548966163026 0.97215632829692 0.41666666666667 15.999 > 45 72 O 0.80548966163026 0.97215632829692 0.41666666666667 15.999 > 45 73 O 0.36117700503641 0.00000000000000 0.75000000000000 15.999 > 25 74 O 0.86117700503641 0.00000000000000 0.75000000000000 15.999 > 25 75 O 0.36117700503641 0.50000000000000 0.75000000000000 15.999 > 25 76 O 0.86117700503641 0.50000000000000 0.75000000000000 15.999 > 25 77 O 0.00000000000000 0.36117700503641 0.75000000000000 15.999 > 29 78 O 0.50000000000000 0.36117700503641 0.75000000000000 15.999 > 29 79 O 0.00000000000000 0.86117700503641 0.75000000000000 15.999 > 29 80 O 0.50000000000000 0.86117700503641 0.75000000000000 15.999 > 29 81 O 0.02784367170308 0.19451033836974 0.91666666666667 15.999 > 33 82 O 0.52784367170308 0.19451033836974 0.91666666666667 15.999 > 33 83 O 0.02784367170308 0.69451033836974 0.91666666666667 15.999 > 33 84 O 0.52784367170308 0.69451033836974 0.91666666666667 15.999 > 33 85 O 0.30548966163026 0.33333333333333 0.91666666666667 15.999 > 37 86 O 0.80548966163026 0.33333333333333 0.91666666666667 15.999 > 37 87 O 0.30548966163026 0.83333333333333 0.91666666666667 15.999 > 37 88 O 0.80548966163026 0.83333333333333 0.91666666666667 15.999 > 37 89 O 0.16666666666667 0.47215632829692 0.91666666666667 15.999 > 41 90 O 0.66666666666667 0.47215632829692 0.91666666666667 15.999 > 41 91 O 0.16666666666667 0.97215632829692 0.91666666666667 15.999 > 41 92 O 0.66666666666667 0.97215632829692 0.91666666666667 15.999 > 41 93 O 0.13882299496359 0.13882299496359 0.75000000000000 15.999 > 45 94 O 0.63882299496359 0.13882299496359 0.75000000000000 15.999 > 45 95 O 0.13882299496359 0.63882299496359 0.75000000000000 15.999 > 45 96 O 0.63882299496359 0.63882299496359 0.75000000000000 15.999 > 45 97 Mg 0.16666666666667 0.33333333333333 0.16666666666667 24.305 > 97 98 Mg 0.66666666666667 0.33333333333333 0.16666666666667 24.305 > 97 99 Mg 0.16666666666667 0.83333333333333 0.16666666666667 24.305 > 97 100 Mg 0.66666666666667 0.83333333333333 0.16666666666667 24.305 > 97 101 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 101 102 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 101 103 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 101 104 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 101 105 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 97 106 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 97 107 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 97 108 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 97 109 Mg 0.33333333333333 0.16666666666667 0.33333333333333 24.305 > 101 110 Mg 0.83333333333333 0.16666666666667 0.33333333333333 24.305 > 101 111 Mg 0.33333333333333 0.66666666666667 0.33333333333333 24.305 > 101 112 Mg 0.83333333333333 0.66666666666667 0.33333333333333 24.305 > 101 113 Mg 0.33333333333333 0.16666666666667 0.83333333333333 24.305 > 97 114 Mg 0.83333333333333 0.16666666666667 0.83333333333333 24.305 > 97 115 Mg 0.33333333333333 0.66666666666667 0.83333333333333 24.305 > 97 116 Mg 0.83333333333333 0.66666666666667 0.83333333333333 24.305 > 97 117 Mg 0.16666666666667 0.33333333333333 0.66666666666667 24.305 > 101 118 Mg 0.66666666666667 0.33333333333333 0.66666666666667 24.305 > 101 119 Mg 0.16666666666667 0.83333333333333 0.66666666666667 24.305 > 101 120 Mg 0.66666666666667 0.83333333333333 0.66666666666667 24.305 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0358503 0.0000000 0.0000000 0.0000000 3.0358503 0.0000000 0.0000000 0.0000000 2.3937040 -------------------------- Born effective charges -------------------------- 1 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 2 C 3.0422959 0.0000000 0.0000000 0.0000000 3.0422959 0.0000000 0.0000000 -0.0000000 0.4880751 3 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 4 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 5 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 6 O -2.3958441 -0.0000000 0.0000000 0.0000000 -1.1732414 -0.1476302 0.0000000 -0.1035451 -0.8559130 7 O -1.4788921 0.5294025 0.1278515 0.5294025 -2.0901934 0.0738151 0.0896727 0.0517725 -0.8559130 8 O -1.4788921 -0.5294025 -0.1278515 -0.5294025 -2.0901934 0.0738151 -0.0896727 0.0517725 -0.8559130 9 Mg 2.3113324 -0.2904210 0.0000000 0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 10 Mg 2.3113324 0.2904210 0.0000000 -0.2904210 2.3113324 0.0000000 0.0000000 -0.0000000 2.0796640 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000007 (yxy) 0.00000007 (yxy) 0.00000007 (yyx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 13 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.92, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/231) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 8.968 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 10.844 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 10.915 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.180 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.264 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 21.496 ( 0.000 0.000 0.000) 0.000 24.677 ( 0.000 0.000 0.000) 0.000 24.885 ( 0.000 0.000 0.000) 0.000 32.506 ( 0.000 0.000 0.000) 0.000 32.569 ( 0.000 0.000 0.000) 0.000 42.906 ( 0.000 0.000 0.000) 0.000 42.906 ( 0.000 0.000 0.000) 0.000 43.462 ( 0.000 0.000 0.000) 0.000 43.462 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/231) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 34.388 19.854 3.955) 39.905 0.902 ( 43.017 24.836 -7.670) 50.260 1.857 ( 77.480 44.733 22.959) 92.365 6.394 ( 3.687 2.129 1.983) 4.697 6.411 ( 6.436 3.716 -11.272) 13.501 6.565 ( -0.030 -0.017 1.595) 1.596 6.669 ( 1.358 0.784 -5.912) 6.117 7.016 ( -1.574 -0.909 27.528) 27.588 8.895 ( -6.817 -3.936 -0.782) 7.911 9.151 ( -2.454 -1.417 0.483) 2.875 9.345 ( 0.815 0.470 -4.064) 4.172 9.717 ( -5.030 -2.904 1.894) 6.109 9.775 ( 0.173 0.100 1.830) 1.841 10.816 ( 2.433 1.404 -22.863) 23.035 10.944 ( 2.089 1.206 1.493) 2.837 11.070 ( -3.284 -1.896 21.282) 21.617 11.149 ( -2.295 -1.325 0.966) 2.821 14.094 ( -12.282 -7.091 -14.798) 20.496 21.224 ( -3.347 -1.933 -0.524) 3.901 21.295 ( 2.302 1.329 0.763) 2.765 21.468 ( -2.208 -1.275 -1.217) 2.825 21.592 ( -1.717 -0.991 -1.713) 2.620 24.722 ( -2.897 -1.672 13.944) 14.340 24.887 ( 0.006 0.004 0.668) 0.668 32.514 ( 0.783 0.452 -0.423) 0.998 32.558 ( -0.972 -0.561 -0.059) 1.124 42.948 ( 3.096 1.788 3.291) 4.859 43.495 ( 3.875 2.237 -4.323) 6.222 43.579 ( 9.452 5.457 3.640) 11.505 47.291 ( 17.126 9.888 -88.870) 91.043 ======================= Grid point 2 (3/231) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 34.200 19.745 6.090) 39.958 1.817 ( 43.542 25.139 -7.448) 50.826 3.618 ( 71.404 41.225 20.354) 84.925 6.385 ( -2.583 -1.491 -9.432) 9.893 6.487 ( 2.245 1.296 2.415) 3.543 6.664 ( 8.000 4.619 -9.640) 13.351 6.706 ( 4.544 2.623 0.367) 5.259 7.167 ( 3.825 2.208 20.271) 20.747 8.678 ( -11.122 -6.421 -0.631) 12.858 9.109 ( -0.916 -0.529 -3.119) 3.293 9.351 ( 2.261 1.305 -5.086) 5.717 9.562 ( -11.282 -6.513 7.964) 15.268 9.783 ( -0.995 -0.574 3.217) 3.416 10.720 ( -1.062 -0.613 -17.027) 17.071 11.010 ( 1.847 1.067 5.836) 6.214 11.075 ( -6.247 -3.607 6.281) 9.565 11.143 ( 1.791 1.034 11.676) 11.858 13.613 ( -22.588 -13.041 -18.427) 31.935 21.122 ( -5.267 -3.041 -0.853) 6.141 21.344 ( 0.657 0.379 0.992) 1.249 21.392 ( -3.740 -2.159 -2.107) 4.805 21.539 ( -2.075 -1.198 0.248) 2.409 24.734 ( -0.625 -0.361 5.803) 5.848 24.892 ( -0.055 -0.032 1.060) 1.062 32.530 ( -1.382 -0.798 -0.141) 1.602 32.533 ( 1.203 0.695 -0.809) 1.608 43.075 ( 6.007 3.468 6.357) 9.409 43.582 ( 6.814 3.934 -8.270) 11.415 43.894 ( 15.984 9.229 7.412) 19.890 47.172 ( 3.996 2.307 -46.794) 47.021 ======================= Grid point 3 (4/231) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 33.446 19.310 9.005) 39.656 2.735 ( 42.946 24.795 -7.412) 50.141 5.170 ( 59.611 34.416 16.240) 70.723 6.270 ( -3.332 -1.924 -6.047) 7.168 6.499 ( -1.409 -0.813 1.321) 2.096 6.692 ( 0.151 0.087 -19.152) 19.153 6.872 ( 7.499 4.329 6.994) 11.131 7.398 ( 9.229 5.328 16.035) 19.253 8.464 ( -6.818 -3.936 -1.663) 8.047 9.036 ( -4.149 -2.396 -12.843) 13.707 9.334 ( -14.378 -8.301 22.228) 27.744 9.405 ( 5.064 2.924 -5.475) 8.011 9.740 ( -5.496 -3.173 5.168) 8.184 10.628 ( -0.660 -0.381 -8.757) 8.790 10.937 ( -9.264 -5.349 7.780) 13.227 11.071 ( 0.055 0.032 8.384) 8.384 11.250 ( 4.599 2.655 0.549) 5.338 12.966 ( -25.319 -14.618 -21.312) 36.179 20.998 ( -5.328 -3.076 -0.926) 6.222 21.295 ( -5.321 -3.072 1.229) 6.266 21.295 ( -3.657 -2.112 -2.382) 4.849 21.530 ( 0.596 0.344 0.357) 0.775 24.754 ( 0.382 0.221 2.891) 2.924 24.895 ( -0.212 -0.123 1.070) 1.098 32.501 ( -1.069 -0.617 -0.202) 1.250 32.554 ( 1.052 0.607 -1.102) 1.640 43.268 ( 7.521 4.342 9.134) 12.604 43.699 ( 8.156 4.709 -11.521) 14.881 44.334 ( 19.014 10.978 11.151) 24.625 46.989 ( -1.734 -1.001 -33.671) 33.730 ======================= Grid point 4 (5/231) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( 31.685 18.293 12.123) 38.543 3.618 ( 40.412 23.332 -7.892) 47.326 6.169 ( -5.982 -3.454 -4.539) 8.266 6.319 ( 29.207 16.862 17.524) 38.006 6.459 ( 3.643 2.103 -5.405) 6.849 6.532 ( -0.769 -0.444 -19.254) 19.274 7.087 ( 8.318 4.803 12.741) 15.956 7.776 ( 19.747 11.401 8.523) 24.343 8.348 ( -3.560 -2.056 -4.340) 5.978 8.731 ( -17.087 -9.865 -7.201) 21.003 9.227 ( -6.552 -3.783 19.327) 20.755 9.395 ( -11.468 -6.621 -6.798) 14.886 9.672 ( 3.040 1.755 10.356) 10.935 10.610 ( 2.016 1.164 -4.201) 4.803 10.779 ( -6.738 -3.890 4.058) 8.775 11.089 ( -2.414 -1.394 8.051) 8.520 11.329 ( 3.138 1.812 -4.634) 5.883 12.339 ( -21.057 -12.157 -19.218) 30.992 20.890 ( -3.848 -2.222 -0.907) 4.535 21.158 ( -7.185 -4.148 1.483) 8.428 21.223 ( -1.577 -0.910 -1.855) 2.600 21.532 ( -0.883 -0.510 -0.364) 1.083 24.780 ( 0.935 0.540 1.495) 1.845 24.892 ( -0.454 -0.262 0.785) 0.944 32.484 ( -0.278 -0.161 -0.155) 0.357 32.565 ( 0.392 0.226 -1.226) 1.307 43.486 ( 7.042 4.066 11.562) 14.135 43.811 ( 7.679 4.433 -13.851) 16.446 44.825 ( 19.058 11.003 14.566) 26.391 46.752 ( -5.332 -3.079 -27.642) 28.320 ======================= Grid point 5 (6/231) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 28.525 16.469 14.920) 36.159 4.409 ( 34.323 19.817 -9.168) 40.680 5.856 ( -15.427 -8.907 -14.072) 22.701 6.247 ( -14.739 -8.509 9.976) 19.727 6.665 ( 17.483 10.094 -3.237) 20.445 6.947 ( 18.922 10.924 -5.302) 22.483 7.420 ( 13.490 7.789 18.345) 24.067 8.172 ( -16.242 -9.377 4.376) 19.259 8.295 ( 21.133 12.201 -1.388) 24.441 8.328 ( -10.864 -6.272 -12.001) 17.361 8.869 ( -28.197 -16.280 -3.893) 32.791 9.180 ( -5.866 -3.387 12.258) 14.005 9.951 ( 14.334 8.276 12.266) 20.601 10.655 ( 2.620 1.513 -1.868) 3.556 10.714 ( 0.496 0.287 -2.629) 2.690 11.041 ( -5.905 -3.409 7.153) 9.882 11.336 ( 0.774 0.447 -6.923) 6.981 11.860 ( -15.191 -8.770 -12.030) 21.270 20.826 ( -1.317 -0.760 -0.987) 1.813 21.010 ( -6.656 -3.843 1.489) 7.829 21.216 ( 1.591 0.918 -0.699) 1.965 21.481 ( -3.296 -1.903 -0.984) 3.931 24.809 ( 1.178 0.680 0.782) 1.569 24.882 ( -0.738 -0.426 0.380) 0.933 32.488 ( 0.569 0.329 0.062) 0.660 32.558 ( -0.447 -0.258 -1.128) 1.241 43.683 ( 4.767 2.752 13.526) 14.603 43.884 ( 5.581 3.222 -15.160) 16.473 45.309 ( 17.099 9.872 17.458) 26.356 46.469 ( -8.224 -4.748 -24.266) 26.058 ======================= Grid point 6 (7/231) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.509 ( 22.797 13.162 16.630) 31.136 4.883 ( 5.129 2.961 -13.730) 14.953 5.561 ( 4.238 2.447 -13.061) 13.948 5.888 ( -21.573 -12.455 10.337) 26.970 7.205 ( 29.796 17.203 4.550) 34.705 7.312 ( 18.895 10.909 -7.238) 22.987 7.739 ( -22.820 -13.175 10.781) 28.471 7.779 ( 8.754 5.054 12.751) 16.272 8.000 ( -31.889 -18.411 -3.845) 37.023 8.088 ( -7.006 -4.045 -17.749) 19.506 8.828 ( 15.335 8.854 -4.256) 18.212 9.069 ( -9.436 -5.448 7.958) 13.492 10.365 ( 14.928 8.619 15.012) 22.858 10.646 ( -3.178 -1.835 -8.276) 9.053 10.757 ( 5.908 3.411 -9.538) 11.727 10.890 ( -10.783 -6.226 9.939) 15.932 11.356 ( 5.101 2.945 -4.048) 7.147 11.534 ( -10.807 -6.240 -3.615) 12.992 20.825 ( 1.753 1.012 -1.160) 2.333 20.890 ( -4.653 -2.686 1.349) 5.540 21.280 ( 4.080 2.356 0.471) 4.735 21.385 ( -4.664 -2.693 -1.086) 5.494 24.838 ( 1.178 0.680 0.364) 1.408 24.864 ( -1.005 -0.580 -0.012) 1.161 32.508 ( 1.085 0.626 0.425) 1.323 32.536 ( -1.037 -0.599 -0.827) 1.455 43.826 ( 1.360 0.785 14.878) 14.961 43.893 ( 2.350 1.357 -15.469) 15.705 45.751 ( 14.188 8.191 19.833) 25.724 46.137 ( -11.114 -6.417 -21.938) 25.416 ======================= Grid point 14 (8/231) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.000 40.347 15.795) 43.328 1.210 ( -0.000 47.532 28.915) 55.636 1.772 ( 0.000 82.267 16.036) 83.816 6.274 ( 0.000 0.067 -12.894) 12.894 6.491 ( 0.000 14.969 -2.669) 15.205 6.611 ( -0.000 -0.527 9.001) 9.017 6.638 ( 0.000 2.401 -5.201) 5.728 7.122 ( -0.000 -14.673 32.113) 35.307 8.874 ( 0.000 -9.732 -3.399) 10.309 9.076 ( 0.000 -5.180 -7.938) 9.478 9.307 ( 0.000 0.792 -7.746) 7.786 9.758 ( -0.000 -4.114 6.190) 7.433 9.809 ( -0.000 1.360 5.687) 5.847 10.680 ( 0.000 1.131 -24.797) 24.823 10.928 ( 0.000 2.549 -1.696) 3.061 11.103 ( 0.000 -2.487 -3.472) 4.271 11.188 ( -0.000 -3.384 22.054) 22.312 14.154 ( 0.000 -3.594 -7.279) 8.118 21.236 ( -0.000 -3.358 0.938) 3.486 21.277 ( 0.000 1.975 -1.421) 2.433 21.484 ( -0.000 -1.730 0.790) 1.902 21.549 ( 0.000 -1.999 -5.826) 6.160 24.814 ( -0.000 -11.930 21.100) 24.239 24.893 ( -0.000 -0.029 1.314) 1.314 32.511 ( 0.000 0.866 -0.662) 1.090 32.557 ( -0.000 -1.106 -0.096) 1.110 42.906 ( 0.000 1.332 -2.163) 2.540 43.515 ( 0.000 7.695 -4.564) 8.947 43.551 ( -0.000 7.537 2.959) 8.097 46.747 ( 0.000 68.789 -127.306) 144.702 ======================= Grid point 15 (9/231) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 9.305 33.986 22.560) 41.840 1.783 ( 8.874 53.630 5.789) 54.667 3.178 ( 53.135 62.555 20.908) 84.697 6.236 ( 4.526 -2.265 -15.209) 16.029 6.542 ( -4.627 2.151 2.076) 5.509 6.635 ( 0.387 3.309 -4.483) 5.585 6.731 ( 2.858 14.066 3.321) 14.733 7.205 ( 4.530 -4.321 22.125) 22.993 8.692 ( -3.958 -15.342 -4.541) 16.483 9.020 ( 3.258 -6.002 -8.067) 10.569 9.257 ( -0.294 -1.743 -10.499) 10.646 9.767 ( 0.819 -4.234 8.182) 9.249 9.788 ( -7.253 1.436 9.469) 12.013 10.590 ( 2.948 -0.330 -21.682) 21.884 10.960 ( 1.463 -0.847 1.623) 2.343 11.115 ( 4.245 -2.356 0.193) 4.859 11.244 ( -1.830 -1.949 17.405) 17.609 13.825 ( -24.688 -9.311 -7.350) 27.390 21.224 ( -6.643 1.960 -1.414) 7.069 21.261 ( 5.169 -4.657 0.971) 7.025 21.425 ( -2.956 -2.385 -1.446) 4.064 21.516 ( 0.698 -4.242 -2.067) 4.770 24.784 ( -2.147 -4.242 9.824) 10.914 24.899 ( -0.074 -0.120 1.658) 1.664 32.521 ( 0.439 0.819 -0.910) 1.300 32.539 ( -0.582 -0.920 -0.248) 1.117 42.993 ( 8.196 0.840 0.983) 8.297 43.570 ( 0.170 10.666 -7.225) 12.884 43.769 ( 12.445 9.944 5.206) 16.759 46.845 ( 9.317 26.877 -69.886) 75.454 ======================= Grid point 16 (10/231) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 21.288 27.703 19.210) 39.871 2.546 ( 21.455 47.683 -0.171) 52.288 4.713 ( 53.634 48.644 17.667) 74.531 6.192 ( 3.361 -5.340 -12.885) 14.347 6.498 ( -2.917 -0.988 2.866) 4.207 6.634 ( -0.042 1.692 -7.453) 7.643 6.937 ( 1.830 16.601 1.294) 16.752 7.383 ( 6.651 -0.130 16.377) 17.677 8.462 ( -3.219 -12.823 -2.993) 13.555 8.967 ( 2.322 -6.237 -9.290) 11.428 9.141 ( -0.171 -10.922 -10.402) 15.084 9.725 ( -9.418 3.868 14.260) 17.521 9.785 ( -0.206 -3.773 8.667) 9.455 10.544 ( 3.221 0.212 -15.482) 15.815 10.946 ( -1.532 -8.187 8.605) 11.976 11.184 ( 2.729 4.140 -0.013) 4.958 11.284 ( -1.626 1.902 9.189) 9.523 13.173 ( -32.006 -15.002 -11.825) 37.273 21.104 ( -8.456 1.441 -1.097) 8.647 21.263 ( 0.355 -6.245 -1.002) 6.335 21.359 ( -2.600 -1.798 -0.170) 3.166 21.477 ( 1.886 -4.746 -0.806) 5.171 24.772 ( -0.673 -1.241 4.546) 4.760 24.904 ( -0.239 -0.250 1.584) 1.621 32.507 ( -0.828 -1.089 -0.235) 1.388 32.544 ( 0.679 1.376 -1.250) 1.979 43.179 ( 10.864 1.298 4.689) 11.904 43.652 ( 1.696 11.933 -9.612) 15.416 44.170 ( 18.835 11.028 8.271) 23.340 46.810 ( 1.657 10.019 -44.728) 45.866 ======================= Grid point 17 (11/231) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( 27.325 22.988 17.160) 39.617 3.362 ( 25.486 41.611 -1.810) 48.829 5.948 ( 35.144 24.718 7.833) 43.674 6.166 ( 9.467 -1.290 -7.221) 11.976 6.408 ( -6.740 -0.378 -5.397) 8.642 6.591 ( -2.865 3.580 -1.090) 4.713 7.129 ( 3.146 11.671 7.292) 14.117 7.594 ( 13.273 0.284 4.814) 14.122 8.347 ( -0.962 -2.587 -1.617) 3.199 8.824 ( -9.664 -4.485 -12.205) 16.201 8.975 ( 6.869 -25.707 0.432) 26.612 9.726 ( -2.732 4.918 11.493) 12.797 9.757 ( -8.338 1.053 10.384) 13.359 10.545 ( 2.981 2.659 -9.940) 10.713 10.849 ( -5.419 -8.504 9.710) 13.999 11.264 ( 0.048 5.689 0.855) 5.753 11.309 ( -3.615 4.845 3.434) 6.952 12.436 ( -26.339 -19.763 -14.612) 36.025 20.976 ( -7.555 1.173 -0.824) 7.690 21.185 ( -1.351 -5.424 -1.316) 5.742 21.265 ( -5.694 -2.181 0.323) 6.106 21.481 ( 3.348 -4.866 -0.715) 5.950 24.781 ( 0.343 -0.077 2.187) 2.215 24.902 ( -0.468 -0.387 1.183) 1.330 32.487 ( -0.445 -0.461 -0.168) 0.662 32.559 ( 0.342 1.204 -1.399) 1.877 43.410 ( 11.352 1.678 6.920) 13.400 43.746 ( 2.242 11.408 -10.685) 15.790 44.660 ( 21.145 10.648 11.295) 26.231 46.651 ( -3.295 2.751 -33.559) 33.833 ======================= Grid point 18 (12/231) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( 28.438 19.627 17.094) 38.551 4.136 ( 24.958 34.385 -3.572) 42.638 5.975 ( -15.220 -7.768 -8.360) 19.023 6.258 ( 8.872 -8.842 -0.082) 12.526 6.518 ( 3.250 6.384 -9.089) 11.573 6.839 ( 11.413 19.213 7.125) 23.456 7.391 ( 10.549 9.521 14.888) 20.581 7.884 ( 22.151 -3.998 -9.051) 24.260 8.313 ( -3.072 2.664 -3.063) 5.091 8.461 ( -16.144 -14.648 -4.817) 22.325 8.849 ( -0.364 -15.520 2.595) 15.740 9.608 ( -19.405 4.871 11.432) 23.043 9.884 ( 9.135 7.129 8.513) 14.378 10.566 ( 1.229 -0.508 -2.256) 2.619 10.755 ( -2.607 -1.142 2.111) 3.543 11.246 ( -12.223 4.833 9.547) 16.245 11.308 ( -0.003 2.614 -6.643) 7.139 11.856 ( -10.799 -19.899 -12.272) 25.753 20.878 ( -5.094 1.461 -0.735) 5.350 21.088 ( -5.381 -3.923 0.574) 6.684 21.189 ( -0.050 -1.355 -0.613) 1.488 21.463 ( 0.728 -5.430 -1.092) 5.586 24.802 ( 0.895 0.427 1.082) 1.468 24.893 ( -0.729 -0.514 0.655) 1.107 32.484 ( 0.278 0.349 0.012) 0.446 32.561 ( -0.403 0.749 -1.306) 1.559 43.640 ( 9.723 1.849 6.121) 11.637 43.825 ( 1.398 9.095 -8.499) 12.526 45.169 ( 20.648 9.211 13.752) 26.463 46.417 ( -6.509 -1.474 -27.707) 28.499 ======================= Grid point 19 (13/231) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.337 ( 25.663 16.624 17.969) 35.466 4.743 ( 15.253 20.378 -6.832) 26.356 5.579 ( -13.331 -3.104 -12.252) 18.370 6.150 ( -14.533 -10.246 9.395) 20.111 6.789 ( 26.251 5.007 -2.979) 26.890 7.172 ( 12.373 15.269 -4.254) 20.108 7.726 ( 9.475 2.698 9.133) 13.434 7.943 ( -3.102 -15.100 -15.069) 21.557 7.998 ( -14.954 -13.313 4.014) 20.420 8.210 ( -6.468 -9.980 -2.790) 12.215 8.811 ( -0.143 15.240 -0.547) 15.251 9.372 ( -20.541 4.305 11.391) 23.879 10.236 ( 18.715 6.477 6.815) 20.944 10.565 ( 1.562 -3.007 1.533) 3.719 10.726 ( -2.087 0.896 -6.188) 6.591 11.067 ( -13.135 -6.721 9.925) 17.782 11.306 ( 1.755 4.245 -6.224) 7.735 11.566 ( -4.105 -9.558 -4.296) 11.254 20.835 ( -1.739 2.393 -0.872) 3.084 20.963 ( -5.860 -2.230 0.908) 6.335 21.220 ( 4.288 -0.290 0.171) 4.301 21.393 ( -1.741 -5.648 -1.230) 6.037 24.828 ( 1.083 0.590 0.539) 1.345 24.875 ( -0.989 -0.622 0.174) 1.181 32.502 ( 0.875 1.012 0.322) 1.377 32.547 ( -1.108 0.257 -1.011) 1.522 43.791 ( 4.318 3.785 -8.971) 10.651 43.896 ( 1.375 3.658 8.242) 9.122 45.648 ( 18.501 7.338 15.188) 25.036 46.125 ( -9.148 -4.471 -23.745) 25.836 ======================= Grid point 20 (14/231) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.679 ( -19.281 -7.847 -12.590) 24.328 4.926 ( 14.053 10.861 18.693) 25.786 5.631 ( 14.853 13.101 -10.472) 22.403 5.797 ( -18.582 -6.269 10.421) 22.208 7.292 ( 17.355 -4.047 -6.896) 19.108 7.321 ( -4.338 -22.868 -2.654) 23.426 7.527 ( 5.055 8.037 -13.925) 16.854 7.741 ( -3.860 -2.846 8.808) 10.029 7.882 ( -5.492 4.367 -11.961) 13.867 8.135 ( 3.231 4.342 16.860) 17.707 9.018 ( 4.830 14.273 -4.863) 15.834 9.128 ( -18.499 2.153 9.339) 20.834 10.430 ( -7.400 -5.730 -13.395) 16.340 10.621 ( 2.635 -3.575 8.817) 9.872 10.686 ( 11.331 2.797 -8.585) 14.489 10.879 ( -5.631 -5.373 13.213) 15.335 11.404 ( 5.081 1.874 -2.045) 5.789 11.452 ( -1.112 0.474 4.110) 4.284 20.857 ( 1.138 2.961 -1.379) 3.459 20.877 ( -3.191 0.479 1.166) 3.431 21.297 ( -2.229 -4.924 -0.851) 5.472 21.311 ( 5.753 -0.300 0.903) 5.831 24.850 ( -1.201 -0.692 -0.198) 1.400 24.853 ( 0.987 0.544 0.203) 1.145 32.522 ( -1.387 -0.075 -0.601) 1.513 32.532 ( 1.009 1.314 0.673) 1.788 43.776 ( -1.235 2.290 -13.899) 14.140 44.000 ( -0.289 1.218 14.916) 14.968 45.775 ( -11.130 -7.195 -21.991) 25.676 46.082 ( 15.017 5.927 17.384) 23.725 ======================= Grid point 21 (15/231) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.101 ( -27.821 -13.688 -11.585) 33.100 4.889 ( -29.803 -7.262 11.351) 32.708 5.779 ( 12.155 7.039 11.586) 18.208 5.996 ( 15.978 8.331 -8.511) 19.928 6.812 ( -13.607 -15.059 -0.379) 20.299 7.219 ( -17.347 -5.880 1.021) 18.345 7.507 ( -13.457 -2.689 -16.186) 21.220 7.849 ( 25.366 9.640 -12.758) 29.985 8.183 ( 15.771 -3.239 12.625) 20.460 8.314 ( 8.814 -5.363 9.300) 13.890 8.834 ( -16.855 4.559 2.811) 17.685 9.245 ( 2.943 20.212 -4.859) 20.995 10.064 ( -15.607 -6.089 -14.112) 21.904 10.588 ( 2.032 -8.568 1.955) 9.020 10.779 ( -0.256 -0.336 0.451) 0.618 10.993 ( 5.886 8.489 1.425) 10.428 11.397 ( -1.956 1.102 5.179) 5.645 11.665 ( 16.571 -1.045 8.845) 18.813 20.847 ( -0.886 2.189 0.622) 2.442 20.948 ( 4.426 4.652 -1.064) 6.509 21.220 ( -1.197 -3.568 0.189) 3.768 21.409 ( 5.835 -1.432 0.807) 6.063 24.820 ( -1.358 -0.718 -0.497) 1.615 24.873 ( 0.749 0.400 -0.097) 0.855 32.498 ( -1.075 -0.159 -0.207) 1.106 32.562 ( 0.564 1.186 0.924) 1.606 43.667 ( -4.354 -0.967 -12.176) 12.967 44.047 ( -4.751 1.052 14.817) 15.596 45.377 ( -14.272 -9.265 -19.206) 25.659 46.455 ( 12.672 4.807 18.011) 22.541 ======================= Grid point 22 (16/231) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( -31.458 -15.688 -8.718) 36.218 4.230 ( -43.058 -8.699 8.260) 44.697 6.063 ( 9.128 -1.737 0.891) 9.334 6.244 ( 11.380 4.503 -0.871) 12.270 6.625 ( -5.232 -2.515 2.291) 6.241 6.812 ( -25.727 -6.347 5.781) 27.121 7.192 ( -12.792 1.806 -10.014) 16.346 7.961 ( -21.913 -17.171 0.136) 27.840 8.216 ( 15.894 1.843 -12.895) 20.550 8.542 ( 16.006 2.829 4.867) 16.967 8.861 ( 11.223 -4.725 3.997) 12.816 9.474 ( 4.654 18.298 -5.734) 19.732 9.747 ( -10.881 -0.393 -9.205) 14.257 10.592 ( 4.536 -3.695 1.953) 6.168 10.747 ( -3.643 2.240 -0.758) 4.343 11.133 ( 0.064 11.908 -4.319) 12.667 11.398 ( -3.043 0.040 4.762) 5.651 12.073 ( 27.605 -2.274 15.615) 31.797 20.890 ( 1.526 4.811 0.773) 5.106 21.075 ( 6.045 4.268 -1.061) 7.475 21.203 ( 1.701 -1.306 1.139) 2.428 21.472 ( 4.196 -3.564 0.108) 5.507 24.787 ( -1.392 -0.667 -0.836) 1.755 24.884 ( 0.443 0.225 -0.373) 0.621 32.485 ( -0.276 -0.040 0.053) 0.284 32.579 ( -0.284 0.751 0.969) 1.259 43.497 ( -6.524 -3.419 -9.886) 12.329 44.018 ( -9.016 1.444 13.836) 16.578 44.934 ( -16.619 -10.548 -16.291) 25.551 46.781 ( 10.307 4.058 18.455) 21.524 ======================= Grid point 23 (17/231) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -34.050 -15.590 -5.264) 37.818 3.435 ( -48.739 -6.038 7.377) 49.662 5.801 ( -50.178 -15.579 -11.631) 53.813 6.230 ( 2.332 -3.693 2.175) 4.879 6.421 ( 5.445 -1.590 1.259) 5.811 6.783 ( -1.401 1.394 15.446) 15.572 7.033 ( -8.902 7.945 -3.082) 12.323 7.464 ( -16.576 -8.590 -10.966) 21.652 8.319 ( 9.464 -5.113 -5.818) 12.229 8.906 ( 20.947 -1.338 -6.048) 21.844 9.012 ( 8.325 -0.057 10.293) 13.238 9.578 ( -4.084 3.649 -8.497) 10.109 9.649 ( 2.689 5.328 -2.443) 6.449 10.662 ( 1.734 1.133 4.777) 5.207 10.738 ( 4.798 -0.457 -4.881) 6.860 11.181 ( -4.592 11.453 -5.015) 13.319 11.328 ( -6.348 -1.626 1.815) 6.799 12.681 ( 33.582 3.656 16.559) 37.621 20.990 ( 2.967 7.049 0.982) 7.711 21.199 ( 5.922 0.540 0.353) 5.957 21.265 ( 4.482 2.212 0.428) 5.017 21.481 ( 2.468 -5.254 -0.849) 5.867 24.754 ( -1.310 -0.536 -1.281) 1.909 24.888 ( 0.179 0.085 -0.531) 0.567 32.489 ( 0.699 0.127 0.138) 0.724 32.577 ( -1.134 0.275 0.787) 1.407 43.297 ( -7.434 -4.303 -7.219) 11.220 43.927 ( -11.994 2.328 12.073) 17.177 44.470 ( -17.682 -10.629 -13.066) 24.420 47.065 ( 8.309 3.377 18.381) 20.453 ======================= Grid point 24 (18/231) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -36.236 -11.946 -2.061) 38.210 2.599 ( -51.643 -1.990 6.242) 52.057 4.499 ( -75.652 -16.624 -9.804) 78.075 6.324 ( 6.379 -2.573 4.157) 8.037 6.470 ( 2.135 0.012 -0.916) 2.323 6.763 ( -5.141 -0.780 5.475) 7.551 6.937 ( -13.399 3.964 4.023) 14.541 7.143 ( -8.702 -3.793 -12.203) 15.460 8.470 ( 15.438 -1.201 -2.446) 15.677 9.036 ( 6.240 -3.566 -1.683) 7.381 9.273 ( 9.484 0.288 6.135) 11.299 9.562 ( 0.213 10.724 -5.792) 12.190 9.698 ( 4.186 -4.916 -1.201) 6.567 10.735 ( 3.686 1.350 6.216) 7.352 10.824 ( 8.591 -2.281 -5.121) 10.258 11.161 ( -5.323 6.870 -3.520) 9.376 11.189 ( -8.152 -1.823 -1.467) 8.481 13.356 ( 31.650 6.065 11.177) 34.109 21.122 ( 3.054 8.219 1.160) 8.844 21.272 ( 4.018 -4.458 0.185) 6.004 21.363 ( 4.022 1.759 0.302) 4.400 21.476 ( 3.617 -2.718 -1.124) 4.662 24.721 ( -1.176 -0.326 -1.611) 2.021 24.887 ( 0.018 0.012 -0.431) 0.432 32.510 ( 1.413 0.142 0.095) 1.423 32.558 ( -1.554 0.027 0.431) 1.613 43.110 ( -6.805 -3.189 -4.032) 8.529 43.802 ( -13.029 3.718 9.538) 16.569 44.030 ( -16.453 -9.054 -9.655) 21.116 47.307 ( 6.784 2.287 15.901) 17.438 ======================= Grid point 25 (19/231) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -37.939 -0.000 0.000) 37.939 1.753 ( -52.504 -0.000 0.000) 52.504 3.009 ( -87.336 -0.000 0.000) 87.336 6.374 ( 0.398 0.000 -0.000) 0.398 6.516 ( 3.116 0.000 -0.000) 3.116 6.696 ( -17.199 -0.000 0.000) 17.199 6.716 ( -2.233 -0.000 0.000) 2.233 6.973 ( -5.015 -0.000 0.000) 5.015 8.729 ( 14.874 0.000 -0.000) 14.874 9.089 ( 3.441 0.000 -0.000) 3.441 9.351 ( 0.811 0.000 -0.000) 0.811 9.692 ( 4.232 0.000 -0.000) 4.232 9.707 ( 3.890 0.000 -0.000) 3.890 10.874 ( 8.450 0.000 -0.000) 8.450 10.901 ( 3.357 0.000 -0.000) 3.357 11.026 ( -8.221 -0.000 0.000) 8.221 11.126 ( -0.989 -0.000 0.000) 0.989 13.888 ( 23.671 0.000 -0.000) 23.671 21.244 ( 1.773 0.000 -0.000) 1.773 21.245 ( 1.180 0.000 -0.000) 1.180 21.435 ( 3.393 0.000 -0.000) 3.393 21.538 ( 4.574 0.000 -0.000) 4.574 24.695 ( -1.027 -0.000 0.000) 1.027 24.886 ( -0.027 -0.000 0.000) 0.027 32.528 ( -0.463 -0.000 0.000) 0.463 32.542 ( 0.603 0.000 -0.000) 0.603 42.985 ( -4.835 -0.000 0.000) 4.835 43.675 ( -11.664 -0.000 0.000) 11.664 43.680 ( -12.343 -0.000 0.000) 12.343 47.476 ( 5.614 0.000 -0.000) 5.614 ======================= Grid point 28 (20/231) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.000 39.710 18.101) 43.641 2.405 ( -0.000 47.022 27.330) 54.387 3.426 ( 0.000 74.018 12.717) 75.103 6.107 ( 0.000 0.792 -19.605) 19.621 6.615 ( 0.000 0.779 -5.375) 5.431 6.633 ( -0.000 -0.252 5.186) 5.192 6.903 ( 0.000 19.987 4.403) 20.466 7.215 ( -0.000 -3.684 20.976) 21.297 8.486 ( 0.000 -21.492 -10.612) 23.969 8.900 ( 0.000 -4.378 -8.993) 10.002 9.206 ( 0.000 -0.495 -11.883) 11.893 9.744 ( -0.000 -7.237 11.895) 13.924 9.921 ( -0.000 0.776 9.964) 9.994 10.430 ( 0.000 -1.741 -21.808) 21.877 10.988 ( 0.000 6.296 -2.813) 6.895 10.995 ( -0.000 -7.054 1.676) 7.250 11.321 ( -0.000 -3.840 16.327) 16.773 13.950 ( -0.000 -13.610 0.130) 13.610 21.164 ( -0.000 -5.404 1.800) 5.695 21.302 ( 0.000 1.756 -1.797) 2.513 21.416 ( 0.000 -4.780 -5.931) 7.617 21.447 ( -0.000 -3.196 1.360) 3.473 24.802 ( -0.000 -5.073 8.167) 9.614 24.908 ( -0.000 -0.282 1.965) 1.985 32.524 ( 0.000 1.425 -1.158) 1.836 32.530 ( -0.000 -1.498 -0.147) 1.505 42.919 ( 0.000 3.242 -3.628) 4.866 43.643 ( 0.000 12.203 -8.289) 14.752 43.797 ( -0.000 13.207 5.257) 14.215 46.737 ( 0.000 30.729 -58.966) 66.492 ======================= Grid point 29 (21/231) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.204 36.143 23.419) 43.272 2.911 ( -2.563 51.820 14.712) 53.928 4.527 ( 38.117 56.766 13.523) 69.700 6.026 ( 1.472 -0.285 -18.761) 18.821 6.577 ( -2.250 1.027 -2.878) 3.795 6.624 ( -1.233 -1.381 2.698) 3.272 7.103 ( -0.796 18.849 0.062) 18.866 7.356 ( 4.683 -0.806 16.948) 17.602 8.259 ( 4.782 -20.490 -6.454) 22.009 8.810 ( 0.345 -6.328 -9.058) 11.055 9.088 ( -5.160 -1.890 -13.904) 14.950 9.761 ( 2.645 -7.357 13.014) 15.182 9.910 ( -5.462 -3.347 11.176) 12.882 10.380 ( 6.936 1.230 -18.083) 19.406 10.938 ( -0.361 -5.445 5.173) 7.519 11.107 ( 6.915 4.419 -2.902) 8.705 11.343 ( -1.400 -2.894 10.477) 10.959 13.558 ( -28.408 -15.150 0.357) 32.197 21.157 ( 3.148 -6.587 1.041) 7.374 21.257 ( -5.637 1.828 -1.169) 6.040 21.318 ( -0.283 -5.482 -3.823) 6.689 21.429 ( -0.489 -3.342 -0.087) 3.379 24.790 ( -0.594 -2.666 4.815) 5.536 24.913 ( -0.173 -0.461 1.854) 1.918 32.508 ( -0.668 -1.079 -0.223) 1.288 32.540 ( 0.715 1.397 -1.282) 2.027 43.022 ( 9.626 2.732 -1.638) 10.140 43.716 ( -0.104 13.295 -9.872) 16.560 44.061 ( 11.657 13.802 6.664) 19.255 46.714 ( -0.814 18.444 -43.139) 46.923 ======================= Grid point 30 (22/231) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( 9.634 31.966 25.152) 41.800 3.515 ( 9.730 49.441 5.723) 50.713 5.668 ( 36.541 30.374 6.629) 47.977 5.964 ( 3.061 -1.518 -11.381) 11.883 6.522 ( -4.917 3.749 -9.002) 10.921 6.648 ( 1.714 4.025 8.784) 9.813 7.219 ( 1.522 9.772 -6.462) 11.813 7.443 ( 1.847 -5.164 6.869) 8.790 8.269 ( 10.075 -4.720 7.369) 13.345 8.674 ( -0.049 -14.661 -9.206) 17.312 8.879 ( -8.113 -0.852 -12.521) 14.944 9.801 ( -1.406 -2.954 10.019) 10.539 9.846 ( 0.848 -9.649 11.875) 15.324 10.469 ( 7.164 8.042 -13.053) 16.923 10.896 ( -2.883 -7.431 9.897) 12.708 11.246 ( 5.013 5.211 -3.053) 7.849 11.348 ( 1.738 -2.114 2.642) 3.804 12.821 ( -40.637 -15.246 -0.077) 43.403 21.102 ( -2.854 -4.964 -0.593) 5.757 21.155 ( -5.732 0.697 -1.995) 6.109 21.297 ( 2.348 -4.867 -0.276) 5.411 21.369 ( -0.726 -4.700 -0.450) 4.777 24.787 ( 0.007 -0.891 2.530) 2.683 24.911 ( -0.406 -0.595 1.404) 1.578 32.489 ( -0.457 -0.546 -0.142) 0.726 32.558 ( 0.574 1.488 -1.435) 2.146 43.241 ( 13.324 2.213 1.577) 13.599 43.792 ( 0.435 12.913 -10.628) 16.730 44.480 ( 18.407 12.195 8.419) 23.631 46.602 ( -4.777 9.139 -32.775) 34.359 ======================= Grid point 31 (23/231) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.565 ( 16.425 27.689 22.634) 39.354 4.183 ( 13.935 42.228 2.763) 44.553 5.973 ( 11.908 -5.971 -6.574) 14.855 6.106 ( -7.781 -3.119 -0.462) 8.395 6.474 ( 3.306 8.446 -12.395) 15.359 6.931 ( 8.504 17.005 13.125) 23.103 7.376 ( 17.827 1.140 -7.546) 19.392 7.446 ( 3.895 -4.036 1.649) 5.847 8.325 ( -7.112 -10.359 -10.268) 16.227 8.474 ( -1.590 -10.576 4.170) 11.479 8.806 ( 2.100 9.034 0.556) 9.292 9.785 ( 2.387 -3.733 4.491) 6.309 9.867 ( -0.103 -5.192 11.710) 12.810 10.606 ( 3.757 11.499 -8.068) 14.541 10.796 ( -6.095 -8.236 10.392) 14.594 11.293 ( -0.343 2.167 -6.220) 6.595 11.413 ( 5.326 -0.669 0.700) 5.413 12.010 ( -38.181 -14.207 1.770) 40.777 20.993 ( -6.053 -0.322 -0.342) 6.071 21.086 ( -1.028 -1.999 -1.687) 2.810 21.224 ( -5.123 -2.432 0.382) 5.683 21.351 ( 4.094 -7.283 -0.839) 8.397 24.798 ( 0.628 0.038 1.293) 1.437 24.902 ( -0.657 -0.664 0.821) 1.243 32.484 ( 0.155 0.292 0.008) 0.331 32.569 ( -0.060 1.242 -1.381) 1.858 43.498 ( 12.810 2.777 2.837) 13.411 43.862 ( 0.637 10.345 -8.939) 13.687 44.963 ( 21.177 9.569 9.744) 25.199 46.401 ( -7.888 3.124 -26.317) 27.651 ======================= Grid point 32 (24/231) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.227 ( 20.288 23.283 19.928) 36.754 4.751 ( 10.094 29.207 -0.125) 30.902 5.772 ( -18.560 -2.744 -7.731) 20.292 6.138 ( 11.572 -8.216 7.174) 15.902 6.551 ( 5.047 5.587 -6.984) 10.269 7.153 ( 2.417 8.174 0.821) 8.563 7.555 ( 19.580 -6.473 -13.862) 24.848 7.652 ( 5.795 -5.314 -3.279) 8.519 7.997 ( -2.389 -13.761 -0.340) 13.971 8.321 ( -11.844 0.358 1.771) 11.981 8.987 ( -0.720 15.088 3.562) 15.520 9.778 ( -13.719 1.758 10.556) 17.399 9.941 ( 17.056 -5.435 -0.288) 17.903 10.663 ( -7.402 -1.393 11.489) 13.738 10.710 ( 1.458 3.214 -6.824) 7.683 11.203 ( -5.598 -10.900 -4.250) 12.969 11.430 ( -19.581 2.629 4.052) 20.168 11.479 ( 3.082 -3.372 -0.248) 4.575 20.911 ( -4.331 1.975 -0.280) 4.768 21.032 ( -3.866 -1.555 -0.598) 4.210 21.157 ( 0.892 -1.844 0.346) 2.077 21.324 ( 1.603 -7.295 -1.030) 7.540 24.819 ( 0.965 0.428 0.672) 1.251 24.886 ( -0.910 -0.681 0.298) 1.175 32.500 ( 0.824 1.076 0.252) 1.378 32.564 ( -0.888 0.813 -1.131) 1.652 43.715 ( 7.269 5.325 -3.003) 9.498 43.927 ( 2.288 4.775 0.013) 5.295 45.445 ( 21.047 6.822 9.628) 24.129 46.138 ( -9.984 -1.021 -21.208) 23.462 ======================= Grid point 33 (25/231) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.844 ( 6.511 13.393 6.361) 16.194 4.895 ( -1.759 5.556 5.104) 7.746 5.588 ( -0.567 12.072 -5.522) 13.287 6.077 ( -13.630 -7.673 10.450) 18.811 6.820 ( 24.770 1.828 -3.910) 25.144 7.174 ( -2.222 -21.916 -5.041) 22.598 7.461 ( 1.160 9.044 -15.837) 18.275 7.714 ( 9.952 -4.177 -14.576) 18.137 7.987 ( -6.745 2.301 7.798) 10.564 8.226 ( -1.718 0.564 11.164) 11.309 9.111 ( -0.563 16.251 -2.859) 16.510 9.541 ( -20.597 1.536 10.584) 23.208 10.192 ( 18.560 -6.636 -5.350) 20.423 10.568 ( -1.426 -10.057 0.113) 10.158 10.685 ( -8.377 1.487 -1.570) 8.652 10.980 ( -4.465 -5.920 12.554) 14.580 11.358 ( 0.252 5.888 -4.340) 7.319 11.496 ( -0.530 0.326 3.149) 3.210 20.888 ( -1.573 3.778 -0.803) 4.170 20.946 ( -4.159 -0.134 0.329) 4.174 21.204 ( 5.423 -1.951 0.525) 5.787 21.261 ( -0.295 -6.504 -0.733) 6.551 24.843 ( 0.998 0.489 0.334) 1.160 24.863 ( -1.155 -0.661 -0.065) 1.332 32.532 ( 1.163 1.520 0.516) 1.982 32.545 ( -1.485 0.387 -0.752) 1.709 43.772 ( -1.417 5.503 -11.153) 12.517 44.051 ( 4.562 1.239 11.241) 12.195 45.756 ( -3.126 -2.014 -16.716) 17.125 45.960 ( 10.635 2.520 8.407) 13.789 ======================= Grid point 34 (26/231) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.402 ( -27.665 -8.715 -7.945) 30.073 5.279 ( -7.018 5.412 16.466) 18.700 5.661 ( 4.973 3.053 -8.424) 10.248 5.938 ( 0.114 6.662 9.043) 11.233 6.803 ( -5.742 -18.871 -5.997) 20.616 7.203 ( 16.277 -4.016 -3.667) 17.162 7.582 ( 1.144 12.308 -15.022) 19.454 7.627 ( -3.757 0.276 -6.754) 7.734 8.016 ( 5.887 4.897 2.828) 8.163 8.270 ( -0.090 -8.517 15.341) 17.547 9.170 ( -12.514 5.436 -0.326) 13.648 9.401 ( -3.301 16.000 3.756) 16.763 10.188 ( -11.553 -5.358 -11.474) 17.142 10.463 ( 3.175 -7.129 -3.848) 8.702 10.620 ( 12.549 -7.781 3.472) 15.169 11.046 ( -0.105 5.628 9.623) 11.149 11.420 ( 3.448 1.744 -1.017) 3.996 11.523 ( 1.806 -0.733 6.110) 6.413 20.884 ( -1.404 2.035 -0.978) 2.659 20.951 ( 1.246 5.186 0.502) 5.357 21.190 ( -0.407 -5.168 -0.237) 5.189 21.286 ( 6.268 -3.287 0.718) 7.114 24.835 ( -1.377 -0.609 -0.283) 1.532 24.864 ( 0.807 0.378 0.103) 0.897 32.518 ( -1.552 0.099 -0.366) 1.597 32.568 ( 0.948 1.487 0.684) 1.891 43.694 ( -5.177 1.921 -9.789) 11.239 44.176 ( 0.638 2.034 12.734) 12.911 45.429 ( -13.660 -6.597 -18.082) 23.603 46.325 ( 16.890 3.381 11.955) 20.967 ======================= Grid point 35 (27/231) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( -31.910 -9.470 -5.683) 33.767 4.876 ( -36.368 -3.853 6.125) 37.080 5.852 ( 11.539 0.000 -4.904) 12.538 6.154 ( 8.746 5.856 9.720) 14.327 6.631 ( 0.529 -4.992 -3.930) 6.375 7.131 ( -13.305 -1.778 0.521) 13.434 7.396 ( -13.330 1.910 -6.051) 14.763 7.857 ( 17.493 8.950 -16.909) 25.923 8.135 ( -11.904 -16.831 14.980) 25.483 8.256 ( 16.787 -2.595 1.954) 17.099 8.944 ( -14.295 3.798 1.567) 14.874 9.555 ( 0.012 11.778 -2.662) 12.076 9.870 ( -11.236 -1.574 -8.690) 14.291 10.472 ( 5.452 -4.770 1.598) 7.418 10.825 ( 3.851 6.204 -1.335) 7.423 11.183 ( 7.161 11.049 -0.657) 13.183 11.466 ( -0.935 1.557 2.115) 2.788 11.639 ( 17.547 -12.727 11.214) 24.405 20.907 ( 1.650 3.428 -0.474) 3.834 21.049 ( 3.047 6.352 0.318) 7.052 21.157 ( 1.513 -3.011 0.436) 3.398 21.345 ( 5.434 -5.617 0.106) 7.817 24.803 ( -1.555 -0.498 -0.392) 1.679 24.877 ( 0.513 0.208 -0.083) 0.560 32.495 ( -1.036 -0.006 -0.082) 1.039 32.594 ( 0.223 1.036 0.647) 1.242 43.549 ( -7.447 -0.775 -6.925) 10.199 44.234 ( -4.686 3.321 12.334) 13.605 45.026 ( -16.047 -8.022 -15.142) 23.476 46.676 ( 15.016 2.613 10.282) 18.385 ======================= Grid point 36 (28/231) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -34.648 -6.844 -2.751) 35.425 4.202 ( -43.978 -1.899 3.420) 44.151 5.998 ( 9.660 -0.529 -0.726) 9.702 6.341 ( 5.352 0.388 4.525) 7.019 6.417 ( -26.004 -5.775 -9.467) 28.270 6.965 ( -8.469 3.444 11.664) 14.820 7.214 ( -7.669 4.348 -3.605) 9.525 7.697 ( -24.787 -7.784 -1.894) 26.050 8.043 ( 10.582 -3.761 -8.323) 13.978 8.555 ( 20.166 -1.643 1.178) 20.267 8.917 ( 5.443 1.874 3.689) 6.838 9.579 ( -1.543 2.355 -3.410) 4.422 9.722 ( -4.733 1.513 -3.172) 5.895 10.554 ( 6.920 -1.713 0.709) 7.164 10.818 ( -6.424 3.547 0.017) 7.338 11.330 ( -3.197 9.829 -3.486) 10.908 11.431 ( -5.380 0.526 1.112) 5.519 12.105 ( 41.042 -6.161 9.220) 42.514 20.995 ( 4.444 4.206 -0.218) 6.123 21.141 ( 2.446 1.186 1.747) 3.231 21.209 ( 4.614 3.247 -0.587) 5.672 21.359 ( 4.120 -7.035 -0.574) 8.173 24.771 ( -1.658 -0.302 -0.384) 1.728 24.884 ( 0.233 0.068 -0.152) 0.287 32.485 ( -0.130 0.004 0.032) 0.134 32.600 ( -0.693 0.432 0.396) 0.907 43.374 ( -8.625 -1.546 -3.666) 9.499 44.213 ( -9.479 4.461 10.728) 14.995 44.600 ( -17.661 -7.733 -11.780) 22.594 46.974 ( 13.059 1.702 7.022) 14.925 ======================= Grid point 37 (29/231) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( -36.398 -0.000 0.000) 36.398 3.436 ( -48.491 -0.000 0.000) 48.491 5.574 ( -62.391 -0.000 0.000) 62.391 6.180 ( 10.238 0.000 -0.000) 10.238 6.422 ( 3.426 0.000 -0.000) 3.426 6.886 ( -7.349 -0.000 0.000) 7.349 7.143 ( -6.831 -0.000 0.000) 6.831 7.298 ( -16.722 -0.000 0.000) 16.722 8.191 ( 14.156 0.000 -0.000) 14.156 8.845 ( 14.385 0.000 -0.000) 14.385 9.110 ( 12.851 0.000 -0.000) 12.851 9.574 ( 1.647 0.000 -0.000) 1.647 9.659 ( -3.084 -0.000 0.000) 3.084 10.667 ( 7.702 0.000 -0.000) 7.702 10.749 ( -2.860 -0.000 0.000) 2.860 11.282 ( -5.860 -0.000 0.000) 5.860 11.321 ( -8.183 -0.000 0.000) 8.183 12.803 ( 40.424 0.000 -0.000) 40.424 21.112 ( 5.865 0.000 -0.000) 5.865 21.187 ( 2.224 0.000 -0.000) 2.224 21.305 ( 4.046 0.000 -0.000) 4.046 21.382 ( 4.456 0.000 -0.000) 4.456 24.740 ( -1.626 -0.000 0.000) 1.626 24.886 ( 0.060 0.000 -0.000) 0.060 32.491 ( 0.816 0.000 -0.000) 0.816 32.585 ( -1.380 -0.000 0.000) 1.380 43.212 ( -8.418 -0.000 0.000) 8.418 44.105 ( -12.181 -0.000 0.000) 12.181 44.206 ( -18.394 -0.000 0.000) 18.394 47.202 ( 10.898 0.000 -0.000) 10.898 ======================= Grid point 42 (30/231) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -0.000 38.034 21.085) 43.488 3.557 ( -0.000 45.010 25.156) 51.563 4.766 ( 0.000 52.057 5.657) 52.364 5.950 ( 0.000 6.524 -19.013) 20.101 6.558 ( 0.000 0.768 -8.163) 8.199 6.611 ( -0.000 -7.558 1.143) 7.644 7.303 ( 0.000 15.952 1.773) 16.051 7.444 ( -0.000 7.231 18.164) 19.550 7.944 ( 0.000 -21.696 -8.263) 23.217 8.728 ( 0.000 -3.799 -7.237) 8.174 9.066 ( 0.000 0.510 -13.409) 13.419 9.706 ( -0.000 -12.128 14.282) 18.736 9.981 ( -0.000 -7.484 10.621) 12.993 10.197 ( 0.000 0.323 -17.810) 17.813 10.914 ( -0.000 -3.584 4.636) 5.860 11.106 ( 0.000 8.444 -2.226) 8.733 11.376 ( -0.000 -3.651 8.634) 9.374 13.652 ( -0.000 -19.069 3.217) 19.338 21.076 ( -0.000 -5.860 2.378) 6.324 21.202 ( 0.000 -8.439 -3.126) 8.999 21.358 ( 0.000 3.664 -4.817) 6.052 21.395 ( -0.000 -3.788 1.611) 4.116 24.791 ( -0.000 -2.364 3.700) 4.391 24.918 ( -0.000 -0.674 1.760) 1.884 32.503 ( -0.000 -1.073 -0.128) 1.081 32.540 ( 0.000 1.558 -1.362) 2.069 42.953 ( 0.000 4.399 -4.148) 6.047 43.794 ( 0.000 13.291 -10.216) 16.763 44.141 ( -0.000 15.883 6.592) 17.197 46.694 ( 0.000 15.854 -35.611) 38.981 ======================= Grid point 43 (31/231) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.306 ( 2.635 34.900 24.453) 42.696 4.024 ( -5.649 46.696 17.230) 50.093 5.403 ( 23.781 19.898 -2.636) 31.119 5.957 ( -0.568 13.428 -7.719) 15.499 6.516 ( 0.143 -0.670 -10.257) 10.279 6.595 ( 9.282 -2.930 -4.177) 10.592 7.314 ( -12.583 5.346 -4.287) 14.328 7.498 ( -3.065 -0.886 9.202) 9.739 8.013 ( 19.911 -0.405 7.743) 21.367 8.613 ( -6.516 -4.862 -6.824) 10.615 8.951 ( -6.276 2.913 -10.598) 12.657 9.706 ( 5.884 -13.663 11.213) 18.629 9.866 ( -4.797 -8.428 8.112) 12.643 10.268 ( 12.533 0.827 -11.922) 17.317 10.920 ( -0.608 -1.073 6.515) 6.631 11.206 ( 3.550 6.671 -0.860) 7.605 11.357 ( -2.375 -2.284 3.026) 4.474 13.259 ( -25.817 -18.279 4.076) 31.895 21.035 ( 0.173 -6.892 0.366) 6.904 21.146 ( 4.825 -7.496 -1.534) 9.045 21.290 ( -6.483 1.417 -1.395) 6.781 21.378 ( -1.438 -1.440 -0.841) 2.202 24.789 ( 0.021 -1.213 2.329) 2.625 24.917 ( -0.239 -0.797 1.354) 1.589 32.490 ( -0.364 -0.529 -0.103) 0.650 32.554 ( 0.672 1.444 -1.357) 2.092 43.062 ( 9.970 3.633 -2.596) 10.925 43.860 ( -0.465 12.801 -10.781) 16.743 44.412 ( 9.812 14.805 7.413) 19.246 46.619 ( -4.208 9.925 -28.473) 30.445 ======================= Grid point 44 (32/231) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 5.098 31.109 26.289) 41.047 4.500 ( 1.955 43.676 9.751) 44.794 5.690 ( 11.402 -2.700 -11.235) 16.233 6.139 ( 6.644 3.474 6.353) 9.827 6.441 ( -0.858 0.055 -14.125) 14.151 6.810 ( 16.762 -0.589 -14.110) 21.918 7.167 ( -3.167 6.507 4.113) 8.323 7.497 ( -0.350 -1.109 6.441) 6.545 8.257 ( -6.473 -14.891 -10.267) 19.211 8.459 ( 5.021 10.287 6.458) 13.143 8.905 ( -1.172 11.624 -0.714) 11.705 9.661 ( 1.800 -14.520 3.742) 15.102 9.875 ( 3.559 -2.354 12.790) 13.483 10.421 ( 13.625 -3.732 -11.335) 18.112 10.922 ( -4.177 1.076 8.951) 9.936 11.277 ( -1.399 -5.472 -0.426) 5.664 11.335 ( 2.558 6.982 -2.722) 7.918 12.585 ( -37.771 -13.025 5.819) 40.375 20.971 ( 0.629 -6.327 -0.701) 6.397 21.154 ( 0.450 -3.624 -1.870) 4.102 21.201 ( -1.708 -1.165 0.588) 2.150 21.305 ( -4.709 -1.830 -0.689) 5.098 24.795 ( 0.445 -0.264 1.321) 1.419 24.909 ( -0.495 -0.802 0.815) 1.246 32.485 ( 0.058 0.173 -0.003) 0.182 32.570 ( 0.479 1.261 -1.289) 1.866 43.298 ( 14.886 2.661 0.264) 15.124 43.911 ( -0.568 11.036 -10.819) 15.465 44.797 ( 15.863 11.671 8.137) 21.308 46.452 ( -8.229 4.798 -22.829) 24.736 ======================= Grid point 45 (33/231) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 9.429 27.761 24.299) 38.079 4.959 ( 2.346 32.184 5.151) 32.678 5.818 ( 13.341 -3.718 -3.691) 14.333 6.067 ( -15.231 -1.497 3.552) 15.711 6.473 ( 8.192 2.393 -8.713) 12.196 6.950 ( 24.109 -9.333 -22.053) 33.980 7.240 ( -3.098 0.530 3.504) 4.707 7.600 ( 0.340 1.707 1.550) 2.331 7.887 ( -1.895 -12.327 -5.339) 13.567 8.541 ( -8.482 7.462 0.398) 11.304 9.139 ( 4.003 16.524 6.509) 18.205 9.623 ( 9.935 -11.423 -0.314) 15.143 9.963 ( -1.966 0.979 10.782) 11.003 10.496 ( 9.956 -13.144 -5.840) 17.493 10.908 ( -6.158 6.154 7.792) 11.684 11.148 ( -4.390 -7.039 -5.677) 10.053 11.430 ( 2.730 3.297 0.231) 4.287 11.927 ( -33.220 -3.584 7.046) 34.147 20.936 ( 1.132 -3.779 -0.009) 3.945 21.087 ( -4.256 1.942 -1.791) 5.009 21.180 ( -3.007 -2.846 0.281) 4.150 21.214 ( 0.848 -5.288 -0.300) 5.364 24.811 ( 0.832 0.240 0.724) 1.129 24.895 ( -0.750 -0.718 0.332) 1.090 32.497 ( 0.779 0.839 0.164) 1.157 32.577 ( -0.270 0.952 -1.085) 1.468 43.581 ( 14.326 3.152 1.976) 14.801 43.939 ( -0.360 7.214 -8.722) 11.324 45.223 ( 18.808 8.192 7.719) 21.919 46.213 ( -10.942 0.808 -18.059) 21.131 ======================= Grid point 46 (34/231) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.896 ( 12.627 24.011 20.754) 34.157 5.113 ( -12.075 8.461 -2.134) 14.898 5.785 ( -11.043 8.759 -2.253) 14.274 6.084 ( 10.548 -7.232 11.693) 17.329 6.551 ( 6.940 -0.042 -7.639) 10.321 7.044 ( -11.110 -17.836 -3.947) 21.381 7.245 ( 29.488 -4.842 -17.090) 34.424 7.473 ( -0.128 11.509 -15.243) 19.100 8.029 ( 8.595 -1.545 10.499) 13.656 8.416 ( -13.216 5.136 2.693) 14.433 9.277 ( -2.986 11.308 1.109) 11.748 9.781 ( 16.397 -7.199 -1.914) 18.010 9.875 ( -11.487 -2.704 5.586) 13.057 10.448 ( 2.447 -14.799 2.245) 15.167 10.862 ( -11.100 -0.253 -2.087) 11.297 11.036 ( 0.396 2.147 6.636) 6.986 11.476 ( -3.205 3.396 0.369) 4.684 11.558 ( -11.739 1.625 2.648) 12.144 20.933 ( 0.503 0.291 0.399) 0.705 21.021 ( -5.314 1.410 -1.689) 5.752 21.125 ( 1.102 -2.158 0.589) 2.494 21.186 ( 1.376 -5.788 -0.285) 5.956 24.833 ( 0.988 0.380 0.386) 1.127 24.875 ( -1.003 -0.589 0.013) 1.163 32.526 ( 1.349 1.225 0.333) 1.852 32.568 ( -1.126 0.576 -0.760) 1.476 43.792 ( 2.956 6.594 -4.329) 8.424 43.985 ( 6.778 0.391 1.598) 6.975 45.625 ( 15.497 5.539 2.536) 16.652 45.944 ( -8.800 -2.350 -10.067) 13.576 ======================= Grid point 47 (35/231) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.760 ( -26.297 -3.641 -4.362) 26.904 5.403 ( 10.509 18.833 16.323) 27.047 5.711 ( -8.899 2.910 -3.210) 9.897 6.098 ( -6.197 -1.775 9.974) 11.876 6.584 ( 2.911 -19.045 -12.617) 23.030 6.852 ( 15.158 -2.452 -0.374) 15.359 7.545 ( 13.955 -0.464 -8.408) 16.299 7.622 ( 4.259 21.676 -15.619) 27.055 8.087 ( -3.985 -1.593 6.267) 7.595 8.282 ( -5.514 -6.402 9.110) 12.425 9.345 ( -3.001 11.453 -4.047) 12.513 9.654 ( -9.980 0.690 8.105) 12.875 9.999 ( 17.611 -7.527 -4.144) 19.596 10.361 ( 1.343 -9.740 1.608) 9.962 10.569 ( -15.942 -5.189 -3.060) 17.043 11.166 ( 0.074 6.046 11.073) 12.616 11.402 ( -2.132 2.564 -4.268) 5.416 11.542 ( 0.131 0.297 2.649) 2.669 20.939 ( -3.750 2.146 -1.239) 4.495 20.977 ( 1.494 2.896 0.578) 3.310 21.136 ( 1.258 -4.514 -0.315) 4.697 21.169 ( 3.607 -3.290 0.642) 4.924 24.850 ( -0.943 -0.342 -0.114) 1.010 24.854 ( 0.595 0.207 0.154) 0.649 32.545 ( -1.642 0.249 -0.404) 1.709 32.564 ( 1.423 1.158 0.405) 1.879 43.768 ( -5.521 3.615 -6.578) 9.317 44.166 ( 8.763 0.538 7.289) 11.411 45.539 ( -14.502 -2.202 -12.508) 19.277 46.099 ( 18.701 1.605 6.891) 19.994 ======================= Grid point 48 (36/231) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( -31.233 -3.713 -2.641) 31.563 5.387 ( -25.545 -2.323 2.656) 25.788 5.720 ( 4.429 6.078 -0.088) 7.521 6.152 ( 4.338 4.494 11.487) 13.075 6.446 ( 8.183 -9.921 -10.424) 16.554 7.118 ( 12.309 -1.925 -0.851) 12.487 7.572 ( -6.539 1.399 -2.097) 7.008 7.763 ( 0.408 14.717 -10.981) 18.367 8.076 ( 3.296 2.517 -2.760) 4.982 8.169 ( -2.670 -15.338 14.019) 20.950 9.243 ( -14.243 2.069 0.235) 14.394 9.668 ( -2.622 7.151 0.889) 7.668 10.024 ( -12.042 -2.512 -4.167) 12.988 10.348 ( 5.238 -1.327 -2.348) 5.891 10.538 ( 25.787 -3.194 1.888) 26.053 11.201 ( -3.212 2.578 3.691) 5.530 11.428 ( 2.800 -0.093 -0.532) 2.851 11.547 ( -0.972 -1.142 2.792) 3.169 20.913 ( -0.509 1.537 -0.635) 1.739 21.065 ( 3.390 5.667 0.287) 6.610 21.111 ( 0.701 -2.571 0.245) 2.676 21.206 ( 4.611 -5.074 0.122) 6.857 24.824 ( -1.486 -0.247 -0.137) 1.513 24.869 ( 0.674 0.140 0.034) 0.689 32.517 ( -1.608 0.057 -0.124) 1.613 32.595 ( 0.952 0.662 0.294) 1.196 43.649 ( -7.721 0.716 -3.527) 8.519 44.318 ( 3.736 1.483 6.109) 7.313 45.187 ( -17.620 -3.164 -8.127) 19.660 46.452 ( 18.279 1.064 4.267) 18.801 ======================= Grid point 49 (37/231) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.656 ( -33.651 -0.000 0.000) 33.651 4.867 ( -36.225 -0.000 0.000) 36.225 5.827 ( 8.182 0.000 -0.000) 8.182 6.282 ( 4.298 0.000 -0.000) 4.298 6.530 ( 4.863 0.000 -0.000) 4.863 7.144 ( -5.579 -0.000 0.000) 5.579 7.389 ( -13.261 -0.000 0.000) 13.261 7.876 ( 6.808 0.000 -0.000) 6.808 8.008 ( -13.137 -0.000 0.000) 13.137 8.237 ( 14.975 0.000 -0.000) 14.975 8.993 ( -13.097 -0.000 0.000) 13.097 9.636 ( -4.114 -0.000 0.000) 4.114 9.814 ( -7.976 -0.000 0.000) 7.976 10.436 ( 6.485 0.000 -0.000) 6.485 10.904 ( 3.514 0.000 -0.000) 3.514 11.405 ( 33.961 0.000 -0.000) 33.961 11.425 ( -1.906 -0.000 0.000) 1.906 11.513 ( -3.206 -0.000 0.000) 3.206 20.943 ( 3.067 0.000 -0.000) 3.067 21.120 ( 1.530 0.000 -0.000) 1.530 21.174 ( 4.073 0.000 -0.000) 4.073 21.236 ( 4.275 0.000 -0.000) 4.275 24.796 ( -1.653 -0.000 0.000) 1.653 24.879 ( 0.415 0.000 -0.000) 0.415 32.495 ( -1.020 -0.000 0.000) 1.020 32.608 ( 0.116 0.000 -0.000) 0.116 43.504 ( -8.761 -0.000 0.000) 8.761 44.362 ( -2.140 -0.000 0.000) 2.140 44.838 ( -19.208 -0.000 0.000) 19.208 46.755 ( 16.157 0.000 -0.000) 16.157 ======================= Grid point 56 (38/231) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( -0.000 34.607 23.594) 41.885 4.617 ( -0.000 39.353 21.951) 45.061 5.296 ( 0.000 8.304 -10.773) 13.602 6.124 ( 0.000 19.079 -2.816) 19.286 6.296 ( 0.000 -17.469 -13.676) 22.186 6.494 ( 0.000 5.336 -12.189) 13.306 7.480 ( -0.000 0.536 1.831) 1.908 7.595 ( -0.000 -11.525 2.279) 11.748 7.864 ( -0.000 20.556 8.021) 22.066 8.642 ( 0.000 -0.047 -3.093) 3.093 9.013 ( 0.000 7.219 -6.090) 9.445 9.555 ( -0.000 -13.259 6.248) 14.658 9.823 ( -0.000 -19.473 9.937) 21.862 10.115 ( 0.000 4.076 -7.455) 8.496 10.963 ( -0.000 2.536 4.602) 5.254 11.240 ( -0.000 4.889 1.166) 5.026 11.379 ( -0.000 0.429 0.180) 0.466 13.305 ( -0.000 -20.909 4.284) 21.343 20.996 ( -0.000 -4.984 2.443) 5.551 21.005 ( 0.000 -8.244 -3.101) 8.808 21.342 ( -0.000 -3.353 1.500) 3.674 21.380 ( 0.000 3.024 -3.785) 4.845 24.789 ( -0.000 -0.877 1.764) 1.970 24.918 ( -0.000 -0.893 1.060) 1.386 32.488 ( -0.000 -0.341 -0.065) 0.347 32.554 ( 0.000 1.336 -1.232) 1.818 42.995 ( 0.000 4.116 -3.825) 5.619 43.930 ( 0.000 11.577 -9.675) 15.087 44.515 ( -0.000 15.341 6.974) 16.852 46.605 ( 0.000 6.972 -23.755) 24.757 ======================= Grid point 57 (39/231) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.197 ( 1.539 31.141 25.116) 40.037 4.976 ( -5.314 31.352 12.526) 34.177 5.439 ( 13.283 4.243 -8.048) 16.099 6.015 ( 1.324 -9.916 -9.882) 14.062 6.322 ( 5.283 -2.295 -8.344) 10.139 6.585 ( 6.539 10.074 -9.698) 15.437 7.394 ( -11.013 -0.681 3.738) 11.650 7.465 ( 1.073 -3.491 3.407) 4.994 8.183 ( 3.660 6.663 -7.079) 10.388 8.554 ( -3.615 3.695 1.641) 5.423 9.058 ( -3.201 13.060 2.448) 13.668 9.526 ( 2.426 -10.585 4.594) 11.791 9.756 ( 10.506 -14.378 10.145) 20.495 10.163 ( 4.855 0.037 -6.008) 7.724 11.009 ( -0.356 2.669 3.902) 4.741 11.267 ( -1.076 -3.093 3.262) 4.622 11.385 ( -1.132 7.246 -4.080) 8.393 12.957 ( -20.314 -17.750 4.775) 27.395 20.902 ( -0.386 -6.248 -1.274) 6.388 21.016 ( 4.835 -5.396 0.618) 7.272 21.285 ( -3.943 -1.448 0.777) 4.272 21.361 ( -3.147 1.264 -2.445) 4.180 24.793 ( 0.277 -0.314 1.149) 1.223 24.912 ( -0.263 -0.842 0.653) 1.097 32.486 ( -0.028 0.079 -0.017) 0.086 32.566 ( 0.604 1.109 -1.078) 1.660 43.101 ( 10.198 3.046 -2.439) 10.919 43.976 ( -1.086 9.976 -9.067) 13.525 44.757 ( 7.924 12.920 7.154) 16.760 46.500 ( -5.195 3.556 -19.198) 20.204 ======================= Grid point 58 (40/231) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.644 ( 3.240 27.346 25.165) 37.304 5.245 ( 3.587 17.651 6.321) 19.089 5.629 ( 3.961 8.273 -1.903) 9.368 6.067 ( 23.131 -10.023 -10.034) 27.133 6.293 ( -3.688 1.356 -4.579) 6.034 6.594 ( -1.803 -1.821 -13.212) 13.459 7.300 ( -2.366 -1.137 0.440) 2.662 7.591 ( 9.909 4.471 7.969) 13.479 7.878 ( -19.146 -10.699 -12.030) 25.015 8.699 ( 1.102 10.121 -1.833) 10.344 9.220 ( 6.127 11.752 4.858) 14.116 9.443 ( -0.819 -11.236 4.958) 12.309 9.978 ( 12.408 0.104 12.437) 17.568 10.172 ( 5.012 -7.530 -7.497) 11.748 11.035 ( -1.335 1.537 2.662) 3.352 11.173 ( -5.880 -3.685 -0.285) 6.945 11.440 ( 1.055 5.881 -1.675) 6.205 12.425 ( -28.820 -9.917 5.290) 30.934 20.861 ( 2.080 -4.333 -0.608) 4.845 21.046 ( 4.206 -4.837 -0.194) 6.413 21.209 ( -4.326 -0.218 0.620) 4.376 21.279 ( -6.127 0.299 -1.451) 6.304 24.804 ( 0.656 0.092 0.668) 0.941 24.900 ( -0.524 -0.677 0.283) 0.902 32.492 ( 0.563 0.497 0.073) 0.755 32.579 ( 0.396 0.827 -0.873) 1.266 43.343 ( 16.344 1.868 -0.081) 16.450 43.990 ( -2.109 7.558 -8.234) 11.374 45.078 ( 13.254 9.136 6.927) 17.525 46.309 ( -9.536 0.762 -14.787) 17.612 ======================= Grid point 59 (41/231) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.088 ( 5.980 23.305 22.052) 32.637 5.399 ( -7.788 9.882 1.856) 12.718 5.764 ( 11.405 -1.356 1.181) 11.546 6.169 ( -14.049 5.938 6.663) 16.644 6.353 ( 12.251 -6.400 -7.464) 15.709 6.566 ( 26.781 -6.896 -20.525) 34.439 7.169 ( -16.882 -8.663 1.343) 19.022 7.524 ( -2.479 10.846 -16.211) 19.662 7.855 ( 12.874 -4.378 9.140) 16.384 8.686 ( -10.082 6.298 -0.687) 11.907 9.377 ( 1.064 -5.911 3.818) 7.117 9.473 ( 12.245 4.111 -0.386) 12.922 10.004 ( -7.440 -6.406 -0.034) 9.818 10.273 ( 8.765 -3.346 6.067) 11.172 10.978 ( -6.103 -1.746 -3.293) 7.152 11.095 ( -0.962 2.422 3.956) 4.737 11.499 ( 1.305 3.141 -0.055) 3.402 11.928 ( -26.044 -2.461 3.580) 26.404 20.878 ( 3.748 -2.137 0.024) 4.314 21.058 ( 2.215 -2.724 -0.937) 3.633 21.150 ( -3.715 0.125 0.312) 3.730 21.164 ( -5.672 -0.891 -0.323) 5.750 24.822 ( 0.919 0.228 0.344) 1.008 24.885 ( -0.783 -0.460 0.047) 0.910 32.514 ( 1.294 0.703 0.156) 1.481 32.582 ( -0.380 0.507 -0.589) 0.865 43.650 ( 17.292 1.817 1.827) 17.482 43.964 ( -2.941 3.882 -6.286) 7.952 45.430 ( 16.435 5.888 5.484) 18.299 46.057 ( -12.429 -1.464 -10.339) 16.234 ======================= Grid point 60 (42/231) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.133 ( -21.604 -0.145 -1.136) 21.634 5.563 ( 5.969 22.737 18.271) 29.773 5.877 ( -3.786 2.423 -2.790) 5.290 6.093 ( 0.255 -8.739 5.316) 10.233 6.280 ( 6.383 -10.757 -11.642) 17.088 6.794 ( -12.215 -3.979 -0.308) 12.851 7.065 ( 35.804 -0.819 -7.013) 36.494 7.696 ( 5.343 24.154 -13.715) 28.285 7.984 ( 8.064 -15.682 10.612) 20.581 8.508 ( -15.615 1.954 0.921) 15.764 9.429 ( 4.635 3.783 0.707) 6.024 9.675 ( 10.922 -0.371 -3.485) 11.470 9.784 ( -8.584 -7.986 2.991) 12.100 10.303 ( -1.532 -3.980 3.056) 5.247 10.796 ( -13.498 -0.972 -1.937) 13.671 11.206 ( 6.147 4.180 4.275) 8.575 11.535 ( -2.391 1.874 0.457) 3.072 11.571 ( -13.917 -1.012 -0.102) 13.954 20.938 ( 4.518 0.008 0.199) 4.523 21.036 ( -5.790 1.635 -1.446) 6.188 21.076 ( 1.166 -2.859 0.624) 3.150 21.126 ( -0.371 -1.057 0.291) 1.158 24.841 ( 0.972 0.156 0.130) 0.993 24.866 ( -1.036 -0.230 -0.035) 1.062 32.547 ( 1.686 0.533 0.149) 1.774 32.570 ( -1.210 0.208 -0.263) 1.256 43.864 ( -3.522 3.934 -2.314) 5.765 43.984 ( 13.962 -1.445 1.182) 14.087 45.715 ( -6.220 4.104 -2.688) 7.922 45.840 ( 9.799 -3.152 0.095) 10.294 ======================= Grid point 61 (43/231) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.698 ( -28.673 -0.000 0.000) 28.673 5.701 ( -14.678 -0.000 0.000) 14.678 5.804 ( -4.438 -0.000 0.000) 4.438 6.097 ( 14.346 0.000 -0.000) 14.346 6.246 ( -3.008 -0.000 0.000) 3.008 6.832 ( 15.964 0.000 -0.000) 15.964 7.503 ( 16.587 0.000 -0.000) 16.587 7.853 ( -1.220 -0.000 0.000) 1.220 8.018 ( 6.339 0.000 -0.000) 6.339 8.255 ( -14.251 -0.000 0.000) 14.251 9.437 ( -8.537 -0.000 0.000) 8.537 9.733 ( 0.799 0.000 -0.000) 0.799 9.867 ( 19.842 0.000 -0.000) 19.842 10.275 ( 1.394 0.000 -0.000) 1.394 10.501 ( -18.313 -0.000 0.000) 18.313 11.338 ( -9.722 -0.000 0.000) 9.722 11.355 ( 6.072 0.000 -0.000) 6.072 11.557 ( 0.098 0.000 -0.000) 0.098 20.955 ( -3.851 -0.000 0.000) 3.851 21.022 ( 4.931 0.000 -0.000) 4.931 21.086 ( 1.103 0.000 -0.000) 1.103 21.129 ( 1.598 0.000 -0.000) 1.598 24.845 ( -1.249 -0.000 0.000) 1.249 24.858 ( 0.823 0.000 -0.000) 0.823 32.545 ( -1.689 -0.000 0.000) 1.689 32.578 ( 1.544 0.000 -0.000) 1.544 43.769 ( -7.111 -0.000 0.000) 7.111 44.211 ( 11.163 0.000 -0.000) 11.163 45.449 ( -17.571 -0.000 0.000) 17.571 46.150 ( 19.795 0.000 -0.000) 19.795 ======================= Grid point 70 (44/231) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.599 ( -0.000 28.844 23.488) 37.198 5.216 ( 0.000 -0.735 -9.483) 9.512 5.326 ( -0.000 6.735 3.150) 7.436 5.957 ( 0.000 7.667 -1.016) 7.734 6.190 ( 0.000 -3.936 -9.849) 10.606 6.621 ( 0.000 12.470 -4.485) 13.252 7.323 ( -0.000 -13.036 -0.579) 13.049 7.566 ( -0.000 -0.324 5.224) 5.234 8.250 ( 0.000 20.058 -11.094) 22.922 8.571 ( 0.000 -6.743 -1.932) 7.015 9.306 ( -0.000 19.168 9.729) 21.496 9.424 ( -0.000 -3.064 1.199) 3.290 9.498 ( -0.000 -22.506 9.388) 24.386 10.146 ( 0.000 2.697 -1.017) 2.882 11.039 ( -0.000 0.898 1.004) 1.347 11.267 ( -0.000 -2.636 2.218) 3.445 11.445 ( 0.000 6.897 -3.269) 7.633 12.969 ( -0.000 -17.747 3.800) 18.149 20.839 ( 0.000 -5.900 -2.104) 6.264 20.939 ( -0.000 -3.240 1.863) 3.738 21.301 ( -0.000 -2.225 1.047) 2.459 21.393 ( 0.000 1.824 -2.551) 3.136 24.793 ( -0.000 -0.158 0.841) 0.856 24.909 ( -0.000 -0.741 0.412) 0.848 32.487 ( 0.000 0.117 -0.011) 0.118 32.565 ( 0.000 0.886 -0.835) 1.218 43.027 ( 0.000 2.759 -2.746) 3.893 44.031 ( 0.000 7.780 -6.804) 10.336 44.847 ( -0.000 11.685 6.114) 13.188 46.480 ( 0.000 1.563 -15.253) 15.333 ======================= Grid point 71 (45/231) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( 1.664 24.502 21.562) 32.681 5.189 ( 5.145 -1.246 -1.692) 5.557 5.448 ( 18.496 -7.774 -9.241) 22.089 5.942 ( -9.677 5.678 -3.002) 11.615 6.253 ( 5.439 9.332 -2.165) 11.015 6.667 ( -5.007 3.662 -1.943) 6.501 7.230 ( 4.123 -8.902 -3.030) 10.268 7.570 ( -0.395 1.881 5.048) 5.401 8.121 ( -20.689 -0.236 -8.664) 22.431 8.649 ( 11.199 6.598 -5.585) 14.147 9.259 ( -2.959 -6.290 4.561) 8.314 9.406 ( -0.465 -7.728 6.459) 10.083 9.763 ( 17.159 12.307 7.669) 22.466 10.148 ( -1.973 0.534 -0.327) 2.070 11.040 ( 0.365 -1.653 -0.788) 1.867 11.226 ( -3.148 -2.341 1.044) 4.060 11.483 ( -0.567 5.257 -2.043) 5.668 12.708 ( -15.071 -11.735 3.265) 19.378 20.791 ( 1.141 -3.733 -1.070) 4.048 20.948 ( 2.899 -2.712 0.865) 4.063 21.264 ( -2.710 -1.248 0.676) 3.059 21.364 ( -3.763 1.075 -1.612) 4.232 24.799 ( 0.383 0.023 0.502) 0.632 24.902 ( -0.266 -0.526 0.187) 0.619 32.489 ( 0.228 0.240 0.017) 0.331 32.573 ( 0.552 0.595 -0.585) 1.001 43.125 ( 10.347 1.642 -1.478) 10.580 44.051 ( -1.566 5.437 -5.114) 7.626 45.028 ( 6.625 8.072 5.093) 11.618 46.374 ( -5.483 0.077 -10.741) 12.059 ======================= Grid point 72 (46/231) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.329 ( 6.542 13.081 13.228) 19.720 5.357 ( 9.120 5.317 7.789) 13.119 5.701 ( 14.604 -4.469 -7.546) 17.035 5.853 ( 12.615 -2.377 -6.231) 14.269 6.315 ( -5.424 1.412 -5.756) 8.034 6.511 ( -13.844 1.952 1.787) 14.094 7.306 ( 6.863 5.053 -0.950) 8.575 7.536 ( -8.635 -10.736 -2.585) 14.019 7.788 ( -6.628 4.267 -0.628) 7.908 8.808 ( 1.446 4.707 -3.323) 5.941 9.219 ( 4.587 -7.074 1.637) 8.589 9.404 ( 3.801 -2.078 3.194) 5.382 10.065 ( -5.121 0.547 -2.270) 5.628 10.163 ( 11.324 5.037 6.988) 14.228 11.007 ( -1.329 -1.999 -1.954) 3.096 11.151 ( -3.611 -0.687 1.158) 3.853 11.510 ( 0.304 2.424 -0.654) 2.529 12.325 ( -22.832 -4.055 2.026) 23.278 20.799 ( 3.227 -1.554 -0.259) 3.591 20.981 ( 3.296 -1.765 0.069) 3.740 21.205 ( -3.544 -0.422 0.320) 3.583 21.279 ( -6.543 0.483 -0.667) 6.595 24.811 ( 0.735 0.084 0.212) 0.770 24.892 ( -0.529 -0.261 0.043) 0.592 32.501 ( 0.879 0.252 0.041) 0.915 32.584 ( 0.346 0.287 -0.306) 0.544 43.366 ( 17.238 0.631 -0.067) 17.250 44.029 ( -3.192 2.709 -3.064) 5.188 45.262 ( 12.023 3.818 3.188) 13.011 46.197 ( -10.228 -0.569 -5.681) 11.714 ======================= Grid point 73 (47/231) ======================= q-point: (-0.38 -0.62 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.414 ( -10.663 -0.000 0.000) 10.663 5.626 ( 14.540 0.000 -0.000) 14.540 5.745 ( 6.687 0.000 -0.000) 6.687 6.125 ( -7.622 -0.000 0.000) 7.622 6.294 ( -14.524 -0.000 0.000) 14.524 6.379 ( 40.928 0.000 -0.000) 40.928 7.081 ( -22.895 -0.000 0.000) 22.895 7.634 ( 16.328 0.000 -0.000) 16.328 7.807 ( 2.256 0.000 -0.000) 2.256 8.742 ( -10.036 -0.000 0.000) 10.036 9.297 ( 8.268 0.000 -0.000) 8.268 9.523 ( 9.217 0.000 -0.000) 9.217 9.917 ( -10.321 -0.000 0.000) 10.321 10.316 ( 1.636 0.000 -0.000) 1.636 10.942 ( -5.505 -0.000 0.000) 5.505 11.143 ( 3.019 0.000 -0.000) 3.019 11.531 ( 0.965 0.000 -0.000) 0.965 11.919 ( -24.057 -0.000 0.000) 24.057 20.858 ( 4.594 0.000 -0.000) 4.594 21.023 ( 2.801 0.000 -0.000) 2.801 21.150 ( -2.895 -0.000 0.000) 2.895 21.161 ( -7.290 -0.000 0.000) 7.290 24.826 ( 0.940 0.000 -0.000) 0.940 24.880 ( -0.791 -0.000 0.000) 0.791 32.523 ( 1.497 0.000 -0.000) 1.497 32.584 ( -0.414 -0.000 0.000) 0.414 43.678 ( 19.222 0.000 -0.000) 19.222 43.967 ( -4.759 -0.000 0.000) 4.759 45.526 ( 16.494 0.000 -0.000) 16.494 45.977 ( -13.843 -0.000 0.000) 13.843 ======================= Grid point 85 (48/231) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.086 ( 0.000 2.420 -4.372) 4.997 5.141 ( 0.000 -6.920 -5.670) 8.946 5.354 ( -0.000 16.590 23.500) 28.766 5.897 ( 0.000 -10.717 -18.130) 21.060 6.427 ( -0.000 18.007 10.167) 20.679 6.742 ( 0.000 3.187 -0.908) 3.314 7.063 ( 0.000 -9.942 -4.514) 10.919 7.607 ( -0.000 -0.138 2.561) 2.565 8.392 ( 0.000 -6.567 -1.556) 6.748 8.459 ( 0.000 12.869 -9.083) 15.752 9.163 ( -0.000 -15.799 6.669) 17.149 9.430 ( -0.000 1.062 0.358) 1.120 9.795 ( -0.000 13.975 6.543) 15.431 10.176 ( -0.000 0.676 0.205) 0.706 11.005 ( 0.000 -2.686 -1.435) 3.045 11.239 ( -0.000 -1.122 0.352) 1.176 11.521 ( 0.000 2.818 -1.107) 3.028 12.749 ( -0.000 -7.221 1.655) 7.408 20.746 ( 0.000 -2.143 -0.739) 2.267 20.911 ( -0.000 -1.109 0.702) 1.313 21.280 ( -0.000 -0.771 0.372) 0.856 21.398 ( 0.000 0.598 -0.904) 1.084 24.798 ( -0.000 0.016 0.259) 0.259 24.901 ( -0.000 -0.283 0.082) 0.294 32.489 ( 0.000 0.111 0.003) 0.111 32.570 ( 0.000 0.310 -0.292) 0.426 43.043 ( 0.000 0.950 -1.009) 1.386 44.084 ( 0.000 2.730 -2.432) 3.656 45.057 ( -0.000 4.620 2.745) 5.374 46.376 ( 0.000 -0.242 -5.702) 5.707 ======================= Grid point 86 (49/231) ======================= q-point: (-0.46 -0.54 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.159 ( 8.053 0.000 -0.000) 8.053 5.240 ( 18.585 0.000 -0.000) 18.585 5.564 ( -0.420 -0.000 0.000) 0.420 5.725 ( -0.036 -0.000 0.000) 0.036 6.481 ( -8.461 -0.000 0.000) 8.461 6.700 ( -6.743 -0.000 0.000) 6.743 7.096 ( 12.008 0.000 -0.000) 12.008 7.602 ( -1.890 -0.000 0.000) 1.890 8.067 ( -21.691 -0.000 0.000) 21.691 8.704 ( 12.186 0.000 -0.000) 12.186 9.121 ( 2.548 0.000 -0.000) 2.548 9.397 ( -2.836 -0.000 0.000) 2.836 10.005 ( 12.218 0.000 -0.000) 12.218 10.150 ( -3.553 -0.000 0.000) 3.553 10.991 ( 0.470 0.000 -0.000) 0.470 11.209 ( -2.986 -0.000 0.000) 2.986 11.525 ( -0.600 -0.000 0.000) 0.600 12.608 ( -12.970 -0.000 0.000) 12.970 20.748 ( 1.723 0.000 -0.000) 1.723 20.927 ( 2.178 0.000 -0.000) 2.178 21.255 ( -2.476 -0.000 0.000) 2.476 21.366 ( -3.776 -0.000 0.000) 3.776 24.802 ( 0.412 0.000 -0.000) 0.412 24.898 ( -0.265 -0.000 0.000) 0.265 32.492 ( 0.324 0.000 -0.000) 0.324 32.576 ( 0.533 0.000 -0.000) 0.533 43.133 ( 10.394 0.000 -0.000) 10.394 44.076 ( -1.733 -0.000 0.000) 1.733 45.138 ( 6.231 0.000 -0.000) 6.231 46.313 ( -5.612 -0.000 0.000) 5.612 ======================= Grid point 187 (50/231) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.000 -0.000 42.961) 42.961 0.667 ( -0.000 0.000 42.961) 42.961 0.987 ( -0.000 -0.000 63.872) 63.872 6.261 ( 0.000 -0.000 -9.970) 9.970 6.261 ( 0.000 0.000 -9.970) 9.970 6.639 ( -0.000 -0.000 7.124) 7.124 6.639 ( -0.000 0.000 7.124) 7.124 8.042 ( -0.000 -0.000 2.348) 2.348 8.938 ( 0.000 0.000 -3.954) 3.954 9.134 ( 0.000 -0.000 -6.377) 6.377 9.134 ( 0.000 0.000 -6.377) 6.377 9.821 ( -0.000 -0.000 6.446) 6.446 9.821 ( -0.000 0.000 6.446) 6.446 10.519 ( 0.000 0.000 -27.395) 27.395 10.911 ( 0.000 0.000 -0.532) 0.532 10.911 ( 0.000 0.000 -0.532) 0.532 11.346 ( -0.000 -0.000 22.755) 22.755 13.891 ( 0.000 0.000 -2.327) 2.327 21.267 ( -0.000 -0.000 0.381) 0.381 21.267 ( -0.000 0.000 0.381) 0.381 21.493 ( 0.000 0.000 -0.436) 0.436 21.493 ( 0.000 0.000 -0.436) 0.436 24.902 ( -0.000 -0.000 2.054) 2.054 25.567 ( 0.000 0.000 -2.388) 2.388 32.507 ( -0.000 -0.000 0.144) 0.144 32.568 ( 0.000 0.000 -0.151) 0.151 42.914 ( 0.000 -0.000 1.033) 1.033 42.914 ( -0.000 0.000 1.033) 1.033 43.454 ( 0.000 -0.000 -1.086) 1.086 43.454 ( 0.000 0.000 -1.086) 1.086 ======================= Grid point 188 (51/231) ======================= q-point: ( 0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 26.609 15.363 21.135) 37.293 1.121 ( 18.060 10.427 35.922) 41.536 2.363 ( 66.647 38.479 40.012) 86.738 6.192 ( 3.151 1.819 -17.014) 17.399 6.350 ( 7.805 4.506 -7.139) 11.497 6.619 ( -2.692 -1.554 5.542) 6.354 6.695 ( -0.655 -0.378 7.724) 7.761 7.495 ( -15.813 -9.130 27.320) 32.860 8.851 ( -6.250 -3.608 -4.901) 8.724 9.079 ( -2.670 -1.542 -9.170) 9.675 9.206 ( 3.858 2.227 -12.020) 12.819 9.818 ( -3.567 -2.059 9.887) 10.711 9.853 ( -0.621 -0.359 7.231) 7.266 10.431 ( 4.516 2.608 -25.751) 26.274 10.958 ( 3.261 1.883 0.457) 3.793 11.120 ( 6.836 3.947 -3.869) 8.790 11.408 ( -4.618 -2.666 21.493) 22.144 13.850 ( -11.478 -6.627 -13.274) 18.757 21.220 ( -3.740 -2.159 -0.099) 4.319 21.303 ( 2.658 1.535 0.449) 3.102 21.447 ( -2.853 -1.647 -1.533) 3.634 21.543 ( 1.073 0.619 -2.958) 3.207 24.912 ( -0.154 -0.089 2.445) 2.452 25.031 ( -19.460 -11.235 18.058) 28.827 32.504 ( 0.380 0.219 -0.585) 0.731 32.556 ( -0.985 -0.569 -0.204) 1.156 43.008 ( 5.122 2.957 4.305) 7.315 43.419 ( 1.289 0.744 -5.363) 5.566 43.627 ( 12.315 7.110 2.431) 14.426 45.363 ( 100.261 57.886 -112.642) 161.528 ======================= Grid point 189 (52/231) ======================= q-point: ( 0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 28.144 16.249 24.704) 40.822 1.819 ( 37.156 21.452 7.698) 43.589 4.006 ( 64.442 37.205 29.399) 80.008 6.171 ( 2.770 1.599 -18.687) 18.959 6.493 ( 5.447 3.145 -1.524) 6.471 6.582 ( -2.538 -1.465 -0.108) 2.932 6.745 ( 4.505 2.601 4.276) 6.734 7.490 ( 0.058 0.033 20.080) 20.080 8.619 ( -10.688 -6.171 -6.751) 14.068 8.966 ( -2.327 -1.343 -13.391) 13.658 9.224 ( 3.872 2.236 -10.173) 11.112 9.769 ( -6.548 -3.781 14.994) 16.793 9.869 ( -1.509 -0.871 7.012) 7.226 10.432 ( 5.239 3.025 -18.148) 19.130 11.054 ( 4.871 2.813 1.138) 5.739 11.167 ( -2.121 -1.224 4.750) 5.344 11.380 ( -6.429 -3.712 16.931) 18.487 13.337 ( -25.694 -14.834 -16.022) 33.719 21.113 ( -5.496 -3.173 -0.350) 6.356 21.357 ( 0.894 0.516 0.705) 1.250 21.358 ( -4.070 -2.350 -2.200) 5.189 21.522 ( -0.831 -0.480 -1.883) 2.114 24.853 ( -5.773 -3.333 8.313) 10.655 24.919 ( -0.408 -0.236 2.323) 2.370 32.516 ( 1.058 0.611 -1.233) 1.736 32.527 ( -1.399 -0.808 -0.258) 1.636 43.182 ( 7.851 4.533 7.439) 11.727 43.448 ( 4.541 2.622 -8.874) 10.308 43.999 ( 18.905 10.915 6.036) 22.649 46.199 ( 32.130 18.550 -70.096) 79.309 ======================= Grid point 190 (53/231) ======================= q-point: ( 0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 31.061 17.933 20.715) 41.419 2.692 ( 39.186 22.624 1.996) 45.292 5.438 ( 52.271 30.179 18.539) 63.140 6.143 ( 3.409 1.968 -13.355) 13.923 6.451 ( -8.294 -4.788 -8.853) 13.042 6.548 ( 0.072 0.041 5.169) 5.170 6.968 ( 12.361 7.137 4.741) 15.040 7.625 ( 4.179 2.413 12.803) 13.682 8.374 ( -6.989 -4.035 -9.298) 12.312 8.818 ( -4.938 -2.851 -15.021) 16.067 9.287 ( 5.843 3.373 -8.672) 10.987 9.687 ( -9.256 -5.344 20.646) 23.248 9.846 ( -4.135 -2.387 7.757) 9.108 10.460 ( 4.090 2.361 -10.607) 11.611 11.080 ( -9.245 -5.338 9.858) 14.530 11.173 ( 4.831 2.789 1.618) 5.808 11.317 ( -5.536 -3.196 10.353) 12.168 12.648 ( -26.465 -15.280 -19.158) 36.068 20.987 ( -5.458 -3.151 -0.416) 6.316 21.259 ( -3.519 -2.032 -2.186) 4.614 21.311 ( -5.081 -2.933 0.829) 5.925 21.520 ( 0.934 0.539 -1.431) 1.792 24.808 ( -1.674 -0.966 3.787) 4.252 24.917 ( -0.678 -0.391 1.777) 1.942 32.497 ( -1.042 -0.601 -0.248) 1.228 32.533 ( 1.044 0.603 -1.486) 1.914 43.419 ( 9.119 5.265 10.312) 14.737 43.518 ( 6.374 3.680 -11.631) 13.764 44.494 ( 21.799 12.586 9.401) 26.870 46.337 ( 10.731 6.196 -47.699) 49.283 ======================= Grid point 191 (54/231) ======================= q-point: ( 0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 30.961 17.875 19.732) 40.835 3.543 ( 37.538 21.673 -1.605) 43.375 6.103 ( -15.966 -9.218 -5.697) 19.297 6.260 ( 11.633 6.716 -13.977) 19.385 6.327 ( 18.033 10.411 -4.051) 21.213 6.640 ( 7.236 4.178 16.677) 18.653 7.306 ( 13.668 7.891 15.309) 21.987 7.850 ( 14.714 8.495 0.946) 17.016 8.207 ( -3.898 -2.250 -12.612) 13.391 8.578 ( -10.643 -6.145 -11.831) 17.059 9.277 ( -8.190 -4.729 -8.233) 12.539 9.575 ( -11.048 -6.379 22.458) 25.828 9.835 ( 2.903 1.676 10.656) 11.171 10.514 ( 5.039 2.909 -6.756) 8.916 10.883 ( -11.689 -6.749 8.948) 16.195 11.241 ( -2.203 -1.272 -2.795) 3.779 11.262 ( -0.872 -0.503 9.896) 9.947 12.059 ( -17.450 -10.075 -16.809) 26.240 20.879 ( -4.016 -2.318 -0.540) 4.668 21.176 ( -6.978 -4.029 0.918) 8.110 21.197 ( -0.969 -0.559 -1.386) 1.781 21.516 ( -0.919 -0.531 -1.527) 1.860 24.806 ( 0.027 0.016 1.797) 1.797 24.907 ( -0.909 -0.525 1.056) 1.489 32.482 ( -0.166 -0.096 -0.097) 0.215 32.543 ( 0.510 0.294 -1.453) 1.568 43.598 ( 6.478 3.740 -13.446) 15.386 43.675 ( 8.316 4.801 12.772) 15.979 45.033 ( 21.564 12.450 12.112) 27.690 46.244 ( 1.388 0.801 -36.699) 36.734 ======================= Grid point 192 (55/231) ======================= q-point: ( 0.46 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.132 ( 28.475 16.440 20.183) 38.581 4.302 ( 31.658 18.278 -4.383) 36.817 5.656 ( -18.162 -10.486 -11.272) 23.809 6.341 ( -9.256 -5.344 1.998) 10.874 6.617 ( 23.664 13.662 -3.387) 27.534 6.908 ( 9.990 5.768 1.345) 11.613 7.681 ( 11.747 6.782 13.650) 19.244 8.039 ( -5.075 -2.930 -16.045) 17.082 8.236 ( -16.103 -9.297 -4.330) 19.091 8.248 ( 15.930 9.197 -3.423) 18.710 8.816 ( -23.983 -13.847 -3.061) 27.862 9.431 ( -11.659 -6.732 18.553) 22.923 10.122 ( 15.885 9.171 9.607) 20.705 10.585 ( 2.711 1.565 -6.198) 6.943 10.722 ( -5.355 -3.092 3.785) 7.250 11.165 ( -3.490 -2.015 0.656) 4.083 11.262 ( -2.303 -1.330 5.206) 5.846 11.700 ( -9.987 -5.766 -8.893) 14.562 20.812 ( -1.531 -0.884 -0.841) 1.958 21.029 ( -6.553 -3.783 0.982) 7.630 21.209 ( 2.337 1.349 -0.170) 2.704 21.461 ( -3.245 -1.874 -1.615) 4.080 24.822 ( 0.745 0.430 0.893) 1.240 24.889 ( -1.099 -0.635 0.394) 1.329 32.490 ( 0.766 0.442 0.198) 0.907 32.540 ( -0.220 -0.127 -1.180) 1.207 43.655 ( 4.975 2.872 -14.277) 15.389 43.902 ( 5.635 3.253 14.634) 16.015 45.553 ( 19.337 11.164 13.925) 26.315 46.039 ( -3.996 -2.307 -30.512) 30.859 ======================= Grid point 193 (56/231) ======================= q-point: ( 0.54 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.717 ( -0.557 -0.322 -7.309) 7.337 4.809 ( 22.124 12.773 21.230) 33.217 5.374 ( 6.836 3.947 -10.859) 13.425 6.028 ( -19.698 -11.372 7.064) 23.817 7.153 ( 14.899 8.602 -11.738) 20.827 7.215 ( 28.925 16.700 -3.310) 33.563 7.754 ( -18.284 -10.556 -7.833) 22.519 7.800 ( -9.305 -5.372 -17.503) 20.537 7.880 ( -13.067 -7.544 5.548) 16.076 8.156 ( -2.449 -1.414 15.511) 15.767 8.790 ( 12.242 7.068 -0.536) 14.146 9.240 ( -13.806 -7.971 13.539) 20.915 10.477 ( -8.947 -5.165 -12.526) 16.237 10.533 ( 15.943 9.205 1.787) 18.496 10.678 ( -0.203 -0.117 4.434) 4.440 11.062 ( -8.544 -4.933 8.739) 13.180 11.330 ( 8.229 4.751 3.449) 10.109 11.499 ( -6.024 -3.478 -1.406) 7.096 20.807 ( 1.558 0.900 -1.228) 2.178 20.909 ( -4.626 -2.671 1.019) 5.438 21.290 ( 4.553 2.629 0.731) 5.308 21.367 ( -4.289 -2.476 -1.234) 5.104 24.844 ( 0.910 0.525 0.440) 1.139 24.863 ( -1.261 -0.728 -0.099) 1.459 32.515 ( 1.319 0.761 0.547) 1.618 32.523 ( -0.754 -0.435 -0.755) 1.152 43.663 ( 2.290 1.322 -14.197) 14.441 44.064 ( 1.750 1.010 15.721) 15.850 45.759 ( -8.001 -4.619 -26.351) 27.924 46.021 ( 16.327 9.427 14.848) 23.998 ======================= Grid point 194 (57/231) ======================= q-point: (-0.38 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( -23.996 -13.854 -7.980) 28.834 5.127 ( -12.622 -7.287 17.325) 22.640 5.721 ( 21.126 12.197 -10.956) 26.741 5.763 ( 1.692 0.977 12.092) 12.249 7.075 ( -19.525 -11.273 -11.603) 25.356 7.352 ( -12.412 -7.166 -3.139) 14.671 7.490 ( -10.383 -5.994 -19.499) 22.890 7.585 ( 17.777 10.264 -7.943) 22.011 8.145 ( 29.333 16.935 10.557) 35.478 8.332 ( 5.873 3.391 13.109) 14.759 8.927 ( -20.474 -11.821 8.663) 25.179 8.997 ( 6.497 3.751 -1.324) 7.618 10.116 ( -14.608 -8.434 -16.781) 23.793 10.639 ( 1.392 0.804 -8.097) 8.255 10.875 ( 7.997 4.617 6.887) 11.520 10.909 ( -8.891 -5.133 9.018) 13.665 11.422 ( -1.662 -0.959 4.125) 4.549 11.630 ( 15.065 8.698 9.444) 19.794 20.843 ( -1.779 -1.027 1.070) 2.316 20.867 ( 4.524 2.612 -1.620) 5.469 21.275 ( -3.355 -1.937 -0.254) 3.882 21.400 ( 4.695 2.711 0.829) 5.484 24.832 ( -1.392 -0.803 -0.433) 1.664 24.865 ( 0.753 0.435 0.145) 0.882 32.502 ( -0.823 -0.475 -0.317) 1.002 32.548 ( 1.236 0.714 0.797) 1.634 43.606 ( -0.944 -0.545 -13.347) 13.392 44.137 ( -2.494 -1.440 15.902) 16.161 45.417 ( -11.492 -6.635 -22.893) 26.461 46.426 ( 13.445 7.763 15.009) 21.594 ======================= Grid point 195 (58/231) ======================= q-point: (-0.31 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.695 ( -28.588 -16.505 -4.898) 33.372 4.578 ( -36.091 -20.837 12.428) 43.488 6.055 ( 13.689 7.903 -14.092) 21.176 6.068 ( 11.140 6.431 12.084) 17.649 6.733 ( -6.928 -4.000 6.130) 10.078 6.998 ( -19.028 -10.986 -3.468) 22.244 7.161 ( -10.301 -5.947 -11.703) 16.686 7.997 ( 22.234 12.837 -15.637) 30.060 8.296 ( -29.298 -16.915 -0.245) 33.831 8.509 ( 5.590 3.227 9.691) 11.644 8.935 ( 27.367 15.800 4.518) 31.922 9.076 ( 1.871 1.080 -1.356) 2.551 9.752 ( -10.336 -5.968 -13.065) 17.696 10.616 ( 0.324 0.187 -6.567) 6.578 10.786 ( -5.262 -3.038 5.964) 8.514 11.004 ( 2.475 1.429 2.032) 3.507 11.430 ( -1.130 -0.652 5.007) 5.174 12.076 ( 19.436 11.221 15.848) 27.474 20.843 ( 1.269 0.733 1.164) 1.872 20.983 ( 6.650 3.840 -1.929) 7.918 21.229 ( -0.768 -0.444 1.050) 1.374 21.490 ( 2.977 1.719 0.074) 3.438 24.798 ( -1.470 -0.849 -0.675) 1.827 24.878 ( 0.461 0.266 -0.072) 0.537 32.487 ( -0.396 -0.229 0.005) 0.458 32.573 ( 0.560 0.323 0.815) 1.040 43.486 ( -3.947 -2.279 -11.886) 12.730 44.120 ( -6.304 -3.640 15.100) 16.763 45.020 ( -14.453 -8.344 -19.484) 25.654 46.772 ( 11.142 6.433 14.378) 19.294 ======================= Grid point 196 (59/231) ======================= q-point: (-0.23 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -31.440 -18.152 -0.073) 36.304 3.781 ( -41.349 -23.873 12.930) 49.466 6.010 ( -20.677 -11.938 -20.123) 31.224 6.254 ( 3.632 2.097 6.338) 7.600 6.534 ( -12.766 -7.370 -0.509) 14.750 6.837 ( 5.907 3.410 19.787) 20.929 6.941 ( -6.547 -3.780 -4.886) 9.001 7.618 ( -25.020 -14.445 -9.801) 30.507 8.284 ( 9.622 5.555 -13.705) 17.643 8.758 ( 15.937 9.201 -2.626) 18.589 9.100 ( 0.923 0.533 3.716) 3.866 9.466 ( 16.780 9.688 -1.904) 19.469 9.531 ( -4.848 -2.799 -3.493) 6.598 10.603 ( 1.761 1.017 -5.580) 5.939 10.760 ( 1.456 0.841 1.306) 2.129 11.035 ( -0.050 -0.029 1.283) 1.284 11.385 ( -4.914 -2.837 2.500) 6.201 12.645 ( 23.482 13.558 19.942) 33.659 20.907 ( 3.808 2.199 1.318) 4.590 21.131 ( 7.388 4.266 -2.021) 8.767 21.253 ( 2.090 1.207 2.074) 3.182 21.525 ( 0.444 0.257 -1.312) 1.409 24.761 ( -1.469 -0.848 -0.806) 1.878 24.885 ( 0.185 0.107 -0.150) 0.261 32.487 ( 0.340 0.196 0.139) 0.416 32.579 ( -0.367 -0.212 0.566) 0.707 43.319 ( -5.885 -3.398 -9.954) 12.052 44.022 ( -9.001 -5.196 13.291) 16.872 44.587 ( -16.304 -9.413 -15.867) 24.621 47.067 ( 9.381 5.416 12.240) 16.345 ======================= Grid point 197 (60/231) ======================= q-point: (-0.15 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -33.357 -19.259 5.855) 38.960 2.913 ( -43.635 -25.193 15.275) 52.650 4.937 ( -60.199 -34.756 -13.441) 70.799 6.378 ( 4.391 2.535 8.115) 9.569 6.444 ( 0.095 0.055 -8.536) 8.537 6.801 ( -4.684 -2.704 -1.672) 5.661 6.984 ( -4.294 -2.479 17.568) 18.255 7.169 ( -11.489 -6.633 -10.638) 17.005 8.398 ( 9.655 5.574 -10.875) 15.574 9.001 ( 7.144 4.125 -14.296) 16.505 9.273 ( 11.750 6.784 12.719) 18.598 9.407 ( -2.365 -1.365 -5.763) 6.377 9.728 ( 5.206 3.006 4.058) 7.253 10.648 ( 5.435 3.138 -7.358) 9.671 10.856 ( 6.852 3.956 -2.521) 8.304 11.025 ( -1.728 -0.998 3.567) 4.087 11.248 ( -7.695 -4.443 0.163) 8.887 13.285 ( 24.364 14.067 18.991) 33.943 21.016 ( 5.229 3.019 1.444) 6.208 21.273 ( 5.799 3.348 -1.639) 6.894 21.332 ( 3.650 2.107 2.339) 4.820 21.503 ( -0.836 -0.482 -3.120) 3.265 24.727 ( -1.329 -0.768 -0.400) 1.586 24.886 ( 0.023 0.013 0.032) 0.042 32.503 ( 1.051 0.607 0.106) 1.218 32.564 ( -1.077 -0.622 0.124) 1.249 43.137 ( -6.081 -3.511 -7.661) 10.392 43.871 ( -10.044 -5.799 10.538) 15.670 44.153 ( -16.153 -9.326 -12.060) 22.211 47.304 ( 7.583 4.378 5.587) 10.387 ======================= Grid point 198 (61/231) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -34.418 -19.871 12.287) 41.599 2.034 ( -43.917 -25.355 19.771) 54.428 3.395 ( -72.703 -41.975 -7.515) 84.286 6.369 ( -1.580 -0.912 -13.259) 13.384 6.514 ( 3.593 2.074 8.273) 9.255 6.717 ( -2.297 -1.326 -3.703) 4.555 6.815 ( -15.232 -8.794 8.130) 19.376 6.981 ( -3.470 -2.004 3.292) 5.186 8.630 ( 14.241 8.222 -6.807) 17.797 9.041 ( 3.249 1.876 -9.013) 9.763 9.348 ( -0.591 -0.341 -5.587) 5.628 9.581 ( 9.479 5.473 8.138) 13.639 9.798 ( -0.009 -0.005 5.185) 5.185 10.737 ( 6.272 3.621 -16.533) 18.049 11.001 ( 6.901 3.984 -2.669) 8.403 11.011 ( -2.275 -1.313 3.563) 4.427 11.089 ( -5.662 -3.269 8.674) 10.862 13.858 ( 19.042 10.994 11.742) 24.927 21.139 ( 4.993 2.883 1.342) 5.920 21.326 ( -0.792 -0.457 -1.366) 1.644 21.423 ( 3.291 1.900 1.823) 4.215 21.502 ( 3.216 1.857 -4.466) 5.808 24.707 ( -0.519 -0.300 2.781) 2.845 24.888 ( -0.006 -0.003 0.549) 0.549 32.531 ( 1.345 0.777 -0.002) 1.554 32.537 ( -1.235 -0.713 -0.383) 1.476 42.987 ( -4.312 -2.489 -5.065) 7.102 43.701 ( -9.165 -5.291 7.009) 12.693 43.772 ( -13.111 -7.570 -8.231) 17.232 47.409 ( 2.234 1.290 -18.787) 18.963 ======================= Grid point 201 (62/231) ======================= q-point: ( 0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -0.000 33.356 23.297) 40.687 1.723 ( -0.000 40.084 35.956) 53.847 2.297 ( -0.000 54.628 46.173) 71.528 6.028 ( 0.000 -3.437 -18.569) 18.884 6.383 ( 0.000 17.662 -10.959) 20.786 6.644 ( -0.000 -4.113 4.778) 6.305 6.783 ( -0.000 2.522 12.758) 13.005 7.588 ( -0.000 -24.497 24.846) 34.892 8.792 ( 0.000 -12.705 -7.129) 14.568 8.930 ( 0.000 -5.544 -10.776) 12.119 9.146 ( 0.000 1.143 -12.360) 12.413 9.880 ( -0.000 -2.147 8.721) 8.981 9.934 ( -0.000 2.729 9.957) 10.324 10.277 ( 0.000 3.841 -26.838) 27.112 10.899 ( 0.000 1.533 -2.147) 2.638 11.066 ( 0.000 3.080 -1.454) 3.406 11.522 ( -0.000 -5.488 21.038) 21.743 13.984 ( 0.000 6.340 -12.075) 13.638 21.253 ( -0.000 -2.808 1.333) 3.108 21.259 ( 0.000 0.398 -0.734) 0.835 21.470 ( 0.000 -2.321 -3.966) 4.595 21.492 ( -0.000 -0.913 0.271) 0.952 24.926 ( -0.000 -0.285 2.894) 2.907 25.111 ( -0.000 -23.274 13.688) 27.000 32.501 ( 0.000 0.149 -0.393) 0.421 32.555 ( -0.000 -1.091 -0.236) 1.116 42.882 ( 0.000 -0.745 -0.984) 1.234 43.440 ( 0.000 4.847 -5.098) 7.034 43.585 ( 0.000 10.505 1.342) 10.590 44.975 ( 0.000 119.163 -83.110) 145.283 ======================= Grid point 202 (63/231) ======================= q-point: ( 0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 15.339 36.301 18.686) 43.615 2.055 ( -11.455 43.088 31.153) 54.390 3.618 ( 51.151 49.090 34.602) 78.890 5.950 ( 5.907 -2.894 -21.246) 22.241 6.511 ( 1.185 14.574 -8.224) 16.776 6.612 ( -1.353 -3.569 2.472) 4.547 6.835 ( -4.184 6.179 10.617) 12.977 7.546 ( 1.436 -8.372 20.584) 22.268 8.597 ( -1.535 -16.524 -7.453) 18.192 8.862 ( 3.091 -5.079 -12.139) 13.517 9.061 ( -0.231 -3.033 -14.325) 14.644 9.905 ( -0.148 -2.271 8.905) 9.191 9.967 ( -5.376 3.956 11.480) 13.279 10.247 ( 7.068 2.096 -20.817) 22.084 10.972 ( 5.713 1.129 -0.338) 5.834 11.117 ( 5.553 -2.665 0.311) 6.167 11.520 ( -4.702 -6.974 17.968) 19.839 13.685 ( -28.926 -1.813 -10.146) 30.707 21.204 ( -5.790 0.820 -1.145) 5.959 21.276 ( 3.974 -4.329 1.018) 5.964 21.391 ( -1.907 -3.011 -2.589) 4.405 21.492 ( 0.471 -2.877 -1.002) 3.083 24.935 ( -0.311 -0.544 2.794) 2.863 24.941 ( -5.441 -9.957 9.074) 14.529 32.505 ( 0.364 0.732 -0.932) 1.239 32.535 ( -0.754 -1.146 -0.304) 1.405 43.013 ( 13.529 -2.281 1.560) 13.808 43.458 ( -0.897 8.682 -7.204) 11.317 43.837 ( 14.374 12.024 3.499) 19.064 45.710 ( 20.979 58.716 -68.158) 92.375 ======================= Grid point 203 (64/231) ======================= q-point: ( 0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 15.566 26.909 28.767) 42.355 2.608 ( 14.844 46.205 8.987) 49.356 5.044 ( 48.760 38.951 24.948) 67.210 5.930 ( 8.152 -2.857 -20.477) 22.224 6.518 ( -5.986 -3.981 0.885) 7.243 6.606 ( -0.155 5.481 0.667) 5.523 6.944 ( 3.356 13.243 0.778) 13.684 7.615 ( 2.500 -6.157 13.124) 14.711 8.394 ( -4.065 -6.689 -5.473) 9.551 8.783 ( -1.548 -1.543 -14.242) 14.409 8.967 ( 8.467 -14.718 -11.357) 20.428 9.908 ( -2.308 -2.738 8.991) 9.678 9.978 ( -6.778 6.478 12.613) 15.716 10.299 ( 8.600 -0.989 -13.004) 15.622 11.064 ( 3.721 -3.005 5.478) 7.272 11.181 ( 3.420 -0.738 0.078) 3.500 11.446 ( -5.087 -5.390 11.923) 14.039 13.000 ( -39.318 -7.262 -10.383) 41.309 21.089 ( -7.847 0.805 -0.844) 7.933 21.243 ( -1.029 -6.179 -1.505) 6.442 21.358 ( -1.064 -1.754 0.084) 2.054 21.458 ( 1.755 -4.083 -1.403) 4.660 24.848 ( -2.710 -3.645 4.795) 6.605 24.934 ( -0.643 -0.730 2.183) 2.390 32.502 ( -0.657 -0.895 -0.373) 1.172 32.524 ( 0.397 1.145 -1.267) 1.753 43.246 ( 14.280 -1.401 3.333) 14.731 43.516 ( 1.544 10.719 -7.316) 13.069 44.283 ( 21.544 12.193 6.283) 25.540 46.045 ( 9.501 26.815 -50.492) 57.955 ======================= Grid point 204 (65/231) ======================= q-point: ( 0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 21.631 24.114 23.274) 39.888 3.387 ( 22.409 40.408 5.442) 46.525 5.981 ( 13.609 -1.286 -16.749) 21.619 6.078 ( 23.602 15.781 9.871) 30.059 6.296 ( -12.550 -2.403 -3.554) 13.264 6.719 ( 4.038 10.611 9.965) 15.106 7.221 ( 15.268 11.318 4.289) 19.484 7.629 ( 5.784 -10.896 1.429) 12.419 8.277 ( -6.265 4.623 -7.406) 10.745 8.616 ( -7.562 -1.733 -14.767) 16.681 8.956 ( 13.549 -21.112 -1.840) 25.153 9.879 ( -2.630 -3.030 8.087) 9.027 9.975 ( -9.978 6.461 14.926) 19.081 10.381 ( 8.102 2.031 -9.264) 12.473 11.029 ( -7.185 -9.339 12.575) 17.232 11.215 ( 1.187 2.263 -4.363) 5.056 11.418 ( -2.105 0.825 8.162) 8.469 12.237 ( -32.857 -10.877 -10.971) 36.307 20.965 ( -7.320 0.905 -0.609) 7.401 21.164 ( -0.528 -5.132 -1.309) 5.323 21.271 ( -5.963 -2.242 0.312) 6.378 21.463 ( 3.221 -4.511 -1.493) 5.740 24.818 ( -0.698 -1.130 2.419) 2.759 24.922 ( -0.912 -0.822 1.345) 1.821 32.485 ( -0.369 -0.344 -0.129) 0.521 32.536 ( 0.371 1.232 -1.480) 1.961 43.452 ( 9.009 2.802 -4.405) 10.412 43.657 ( 7.041 7.652 2.059) 10.600 44.815 ( 23.986 10.976 8.582) 27.739 46.079 ( 0.959 12.784 -38.656) 40.727 ======================= Grid point 205 (66/231) ======================= q-point: ( 0.46 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.905 ( 26.039 20.521 17.641) 37.555 4.137 ( 21.362 33.765 4.846) 40.248 5.836 ( -19.130 -7.922 -9.159) 22.641 6.245 ( 18.994 -0.227 -1.325) 19.041 6.408 ( 3.954 5.146 -4.143) 7.699 6.961 ( 0.947 11.677 7.012) 13.653 7.611 ( 9.190 1.645 9.019) 12.981 7.719 ( 21.799 -8.178 -8.144) 24.666 8.184 ( -1.091 1.830 -9.978) 10.203 8.358 ( -11.585 -5.013 -9.240) 15.644 8.901 ( -3.529 -10.632 2.668) 11.516 9.802 ( -15.107 2.034 11.908) 19.344 10.017 ( 7.133 1.635 8.964) 11.571 10.505 ( 5.515 6.082 -4.810) 9.516 10.842 ( -9.912 -6.906 7.936) 14.454 11.205 ( -1.694 2.717 -5.875) 6.691 11.416 ( -9.033 2.121 12.362) 15.457 11.690 ( -10.312 -13.789 -9.341) 19.589 20.867 ( -5.202 1.419 -0.675) 5.434 21.093 ( -3.962 -4.347 0.198) 5.885 21.184 ( -0.498 -0.746 -0.091) 0.902 21.441 ( 0.574 -5.142 -1.636) 5.426 24.820 ( 0.380 -0.054 1.251) 1.309 24.902 ( -1.101 -0.828 0.559) 1.487 32.486 ( 0.421 0.496 0.150) 0.668 32.541 ( -0.221 0.862 -1.313) 1.586 43.557 ( 4.032 6.291 -11.351) 13.590 43.885 ( 9.001 3.100 10.735) 14.348 45.350 ( 23.280 8.438 9.110) 26.384 45.956 ( -4.196 5.887 -30.409) 31.256 ======================= Grid point 206 (67/231) ======================= q-point: ( 0.54 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.581 ( 22.197 16.604 7.889) 28.821 4.735 ( 13.796 18.166 10.586) 25.147 5.420 ( -14.358 -1.009 -8.043) 16.489 6.255 ( -12.839 -5.820 3.633) 14.557 6.743 ( 27.996 3.951 -2.336) 28.370 7.102 ( 6.158 12.442 -4.527) 14.602 7.656 ( -5.224 -19.588 -15.758) 25.676 7.741 ( 8.010 -5.825 -9.743) 13.893 8.048 ( -12.214 -5.642 -0.058) 13.455 8.265 ( 1.748 -1.641 9.737) 10.028 8.808 ( -3.388 13.287 0.181) 13.713 9.578 ( -20.374 0.793 14.264) 24.884 10.271 ( 16.501 -2.783 -0.799) 16.753 10.558 ( -4.750 3.713 -7.444) 9.579 10.715 ( -2.332 -1.930 8.540) 9.060 11.189 ( -5.293 5.696 -2.973) 8.325 11.278 ( -1.206 -10.125 10.246) 14.455 11.529 ( -1.473 -2.865 0.040) 3.222 20.820 ( -2.058 2.438 -0.998) 3.343 20.975 ( -5.441 -2.516 0.623) 6.027 21.226 ( 4.722 -0.011 0.582) 4.758 21.372 ( -1.588 -5.268 -1.436) 5.687 24.838 ( 0.798 0.345 0.679) 1.103 24.877 ( -1.252 -0.796 -0.015) 1.484 32.508 ( 1.060 1.148 0.474) 1.633 32.532 ( -0.828 0.406 -0.945) 1.320 43.596 ( 1.211 5.750 -12.633) 13.933 44.095 ( 5.897 1.055 13.754) 15.002 45.680 ( -0.526 -0.811 -22.859) 22.880 45.899 ( 13.699 8.245 6.914) 17.420 ======================= Grid point 207 (68/231) ======================= q-point: (-0.38 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( -21.555 -9.089 -3.716) 23.686 5.229 ( 15.014 9.231 18.285) 25.396 5.491 ( 9.819 12.159 -6.059) 16.762 5.931 ( -16.064 -3.455 5.924) 17.467 7.109 ( 0.528 -0.137 -13.916) 13.927 7.199 ( 7.493 -14.417 -13.192) 20.929 7.376 ( 6.523 -0.833 -6.837) 9.486 7.629 ( -7.130 -2.270 -10.228) 12.673 7.942 ( 5.672 4.532 7.460) 10.410 8.366 ( 3.172 4.349 12.209) 13.343 8.979 ( 4.551 11.320 0.046) 12.200 9.302 ( -22.071 -0.093 12.712) 25.470 10.208 ( -13.696 -6.047 -15.365) 21.453 10.511 ( 7.371 -2.795 -8.738) 11.768 10.815 ( 4.897 -1.465 10.897) 12.036 11.056 ( -7.155 -2.665 8.257) 11.246 11.397 ( 8.232 -0.629 1.414) 8.376 11.545 ( 4.099 3.013 8.963) 10.306 20.834 ( 1.013 2.835 -1.532) 3.378 20.893 ( -3.133 0.513 0.936) 3.310 21.285 ( -1.681 -4.566 -0.740) 4.921 21.325 ( 5.853 -0.241 0.883) 5.924 24.846 ( -1.395 -0.757 -0.360) 1.627 24.857 ( 0.776 0.389 0.363) 0.941 32.514 ( -1.089 0.057 -0.509) 1.203 32.543 ( 1.171 1.389 0.696) 1.946 43.574 ( -1.639 3.736 -12.060) 12.731 44.232 ( 0.988 -0.055 14.731) 14.764 45.416 ( -9.801 -3.580 -23.719) 25.913 46.304 ( 17.148 5.717 11.041) 21.181 ======================= Grid point 208 (69/231) ======================= q-point: (-0.31 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( -28.121 -13.891 -1.213) 31.388 5.078 ( -33.077 -11.616 12.505) 37.221 5.767 ( 17.860 5.315 -9.523) 20.926 6.043 ( 9.457 10.589 10.061) 17.401 6.780 ( -6.354 -10.970 -3.291) 13.097 7.162 ( -11.536 -2.192 -9.736) 15.254 7.289 ( -10.656 1.789 -10.241) 14.887 7.642 ( 18.065 5.108 -12.280) 22.433 8.319 ( 22.707 -2.300 5.216) 23.411 8.477 ( -3.508 -7.756 10.719) 13.688 8.904 ( -17.939 1.036 6.162) 18.996 9.217 ( -0.277 18.689 1.127) 18.725 9.829 ( -13.083 -3.113 -15.658) 20.640 10.548 ( 4.310 -0.765 -6.679) 7.985 10.826 ( -1.979 -7.419 6.046) 9.773 11.058 ( -0.803 5.306 5.027) 7.353 11.463 ( 0.444 0.448 3.392) 3.450 11.846 ( 20.832 -1.042 14.391) 25.341 20.853 ( 0.214 1.526 0.120) 1.546 20.932 ( 3.266 5.421 -0.882) 6.390 21.225 ( -0.370 -3.205 0.452) 3.257 21.417 ( 5.474 -1.682 0.228) 5.732 24.812 ( -1.544 -0.704 -0.518) 1.774 24.873 ( 0.541 0.271 0.173) 0.629 32.495 ( -0.841 -0.083 -0.146) 0.857 32.575 ( 0.650 1.174 0.671) 1.500 43.490 ( -4.444 1.480 -10.557) 11.549 44.277 ( -4.410 -0.438 14.418) 15.084 45.068 ( -12.888 -5.962 -20.224) 24.712 46.669 ( 14.925 4.079 9.328) 18.067 ======================= Grid point 209 (70/231) ======================= q-point: (-0.23 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.371 ( -30.876 -16.128 3.393) 34.999 4.382 ( -42.102 -12.990 11.132) 45.445 5.969 ( 8.098 1.448 -11.051) 13.777 6.254 ( 1.659 3.309 0.358) 3.718 6.620 ( -8.983 -11.420 -1.526) 14.610 6.957 ( -6.173 4.571 10.408) 12.936 7.082 ( -10.469 4.948 -5.029) 12.624 7.834 ( -5.535 -11.035 -16.286) 20.437 8.078 ( -8.968 -2.376 -1.683) 9.429 8.590 ( 12.838 -1.317 1.235) 12.964 8.949 ( 11.006 -2.900 6.481) 13.097 9.427 ( 2.933 14.754 -0.670) 15.057 9.606 ( -5.832 3.632 -8.414) 10.862 10.592 ( 2.726 4.558 -4.519) 6.973 10.743 ( -3.250 -4.113 2.835) 5.960 11.117 ( -1.679 7.132 1.654) 7.512 11.451 ( -3.626 -1.231 2.142) 4.388 12.333 ( 30.524 -3.795 17.550) 35.413 20.902 ( 2.182 4.156 0.757) 4.755 21.055 ( 5.525 5.659 -1.423) 8.036 21.223 ( 2.336 -1.662 1.443) 3.209 21.465 ( 3.548 -3.789 -1.092) 5.305 24.777 ( -1.633 -0.602 -0.458) 1.800 24.882 ( 0.264 0.124 0.133) 0.321 32.486 ( -0.151 -0.039 0.048) 0.163 32.590 ( -0.284 0.668 0.356) 0.808 43.353 ( -6.629 -0.071 -8.466) 10.752 44.230 ( -9.366 -0.121 13.039) 16.055 44.675 ( -15.082 -7.584 -16.705) 23.749 46.970 ( 12.763 2.761 5.678) 14.240 ======================= Grid point 210 (71/231) ======================= q-point: (-0.15 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( -32.852 -17.279 9.104) 38.219 3.583 ( -46.587 -12.451 11.447) 49.562 5.610 ( -49.177 -7.196 -11.790) 51.080 6.239 ( 7.842 -6.605 -2.969) 10.674 6.449 ( -1.135 -0.310 3.276) 3.481 6.876 ( -7.493 -0.356 -4.606) 8.803 7.134 ( -1.550 4.330 13.664) 14.418 7.333 ( -19.426 -5.879 -2.559) 20.457 8.161 ( 12.179 0.653 -13.641) 18.298 8.803 ( 12.421 2.371 -6.212) 14.089 9.149 ( 12.159 -2.567 5.122) 13.441 9.468 ( -2.785 6.768 -3.675) 8.189 9.669 ( 4.986 2.514 3.839) 6.777 10.636 ( -2.782 7.961 -8.083) 11.681 10.733 ( 6.480 -3.361 4.060) 8.353 11.150 ( -4.071 8.095 0.932) 9.109 11.344 ( -7.331 -2.534 0.238) 7.760 12.933 ( 34.676 -3.859 15.416) 38.144 21.007 ( 3.504 6.424 1.082) 7.397 21.194 ( 5.863 3.888 -0.979) 7.103 21.279 ( 4.555 -0.715 1.184) 4.760 21.454 ( 1.708 -4.779 -2.532) 5.671 24.745 ( -1.519 -0.384 0.161) 1.575 24.887 ( 0.092 0.032 0.342) 0.355 32.491 ( 0.726 0.072 0.057) 0.732 32.582 ( -1.184 0.171 -0.160) 1.207 43.194 ( -7.598 -0.074 -5.920) 9.632 44.107 ( -12.927 0.678 10.444) 16.633 44.264 ( -15.994 -7.826 -12.808) 21.934 47.191 ( 10.099 0.978 -2.406) 10.428 ======================= Grid point 211 (72/231) ======================= q-point: (-0.08 0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -34.282 -16.158 15.418) 40.915 2.726 ( -48.806 -13.966 9.886) 51.718 4.421 ( -75.779 -6.409 0.344) 76.050 6.272 ( 3.591 -1.498 -11.697) 12.327 6.495 ( 3.208 -0.733 5.651) 6.539 6.730 ( -4.511 -1.082 -8.613) 9.783 7.047 ( -14.453 -5.922 7.109) 17.161 7.124 ( -7.818 3.505 10.353) 13.438 8.384 ( 17.208 6.379 -8.135) 20.074 8.944 ( 6.277 3.394 -8.187) 10.861 9.266 ( 5.253 -2.767 -7.872) 9.860 9.583 ( 4.854 9.005 8.594) 13.361 9.759 ( 3.934 -5.436 7.849) 10.327 10.628 ( 1.458 4.817 -13.292) 14.213 10.867 ( 7.701 -0.640 4.300) 8.844 11.141 ( -5.815 5.467 -1.083) 8.055 11.208 ( -5.951 -0.593 5.655) 8.231 13.500 ( 31.398 -7.507 6.903) 33.012 21.140 ( 3.425 7.552 1.141) 8.371 21.269 ( 2.669 -4.790 -0.510) 5.507 21.361 ( 5.068 0.665 -1.121) 5.233 21.446 ( 3.086 0.132 -2.141) 3.759 24.729 ( -0.563 0.061 2.551) 2.613 24.891 ( 0.072 0.008 0.873) 0.876 32.510 ( 1.389 0.067 -0.060) 1.392 32.556 ( -1.596 -0.045 -0.689) 1.739 43.056 ( -6.981 2.165 -2.863) 7.850 43.872 ( -13.492 -7.674 -9.851) 18.384 43.945 ( -15.692 3.303 8.029) 17.933 47.251 ( 3.153 -2.457 -22.153) 22.511 ======================= Grid point 215 (73/231) ======================= q-point: ( 0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.000 40.682 19.165) 44.970 2.863 ( -0.000 42.345 31.357) 52.692 3.788 ( -0.000 55.823 32.713) 64.702 5.775 ( 0.000 0.498 -23.173) 23.179 6.585 ( 0.000 11.772 -12.103) 16.884 6.587 ( -0.000 -5.320 1.893) 5.647 7.027 ( -0.000 10.076 12.409) 15.985 7.548 ( -0.000 -6.928 20.823) 21.945 8.331 ( 0.000 -22.412 -9.071) 24.178 8.747 ( 0.000 -2.975 -11.318) 11.702 8.996 ( 0.000 -0.794 -14.875) 14.896 9.933 ( -0.000 -2.852 11.208) 11.565 10.077 ( 0.000 0.852 -22.277) 22.293 10.094 ( -0.000 0.903 12.092) 12.126 10.939 ( 0.000 6.004 -3.469) 6.934 11.038 ( -0.000 -5.317 3.315) 6.265 11.572 ( -0.000 -9.148 16.089) 18.508 13.879 ( 0.000 -5.189 -8.640) 10.079 21.195 ( -0.000 -5.008 2.203) 5.472 21.270 ( 0.000 2.290 -2.307) 3.250 21.336 ( 0.000 -6.734 -4.094) 7.881 21.464 ( -0.000 -2.547 0.768) 2.660 24.925 ( -0.000 -9.677 7.066) 11.982 24.945 ( -0.000 -0.883 2.742) 2.881 32.506 ( 0.000 1.043 -0.997) 1.443 32.527 ( -0.000 -1.435 -0.269) 1.460 42.875 ( 0.000 1.767 -2.104) 2.748 43.520 ( 0.000 10.029 -7.444) 12.490 43.863 ( 0.000 15.587 3.242) 15.921 45.825 ( 0.000 54.557 -54.016) 76.774 ======================= Grid point 216 (74/231) ======================= q-point: ( 0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 9.581 38.409 20.655) 44.650 3.220 ( -15.406 46.570 25.831) 55.437 4.831 ( 37.886 41.394 24.745) 61.328 5.710 ( 3.955 3.543 -21.383) 22.032 6.532 ( -1.220 -5.154 0.038) 5.296 6.613 ( 2.983 3.176 -10.256) 11.143 7.123 ( -7.039 12.018 5.892) 15.123 7.600 ( -0.717 -5.494 13.414) 14.513 8.210 ( 12.200 -14.537 0.159) 18.978 8.656 ( -0.416 -4.077 -11.154) 11.883 8.853 ( -6.510 -0.356 -16.155) 17.421 9.959 ( -1.326 -1.812 9.244) 9.513 10.034 ( 7.268 -8.770 -7.007) 13.373 10.151 ( 0.647 4.807 3.406) 5.927 11.018 ( 2.617 -0.887 4.135) 4.973 11.059 ( 6.590 1.560 -2.629) 7.264 11.518 ( -4.211 -9.281 12.000) 15.743 13.511 ( -29.391 -7.844 -6.188) 31.043 21.170 ( 0.578 -6.455 0.587) 6.507 21.223 ( -5.738 1.877 -3.206) 6.835 21.275 ( 3.416 -5.840 -1.188) 6.869 21.432 ( -1.372 -3.109 0.292) 3.411 24.865 ( -1.554 -5.357 4.598) 7.229 24.945 ( -0.392 -1.127 2.191) 2.495 32.503 ( -0.585 -0.638 -0.414) 0.960 32.521 ( 0.519 0.876 -1.081) 1.485 43.005 ( 13.080 0.999 -0.568) 13.131 43.572 ( -0.759 11.618 -8.520) 14.427 44.149 ( 12.852 15.704 4.666) 20.822 46.028 ( 1.288 34.728 -42.817) 55.145 ======================= Grid point 217 (75/231) ======================= q-point: ( 0.38 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.357 ( 10.334 31.115 27.031) 42.493 3.649 ( 0.771 49.101 12.822) 50.753 5.636 ( 17.219 0.822 -14.863) 22.761 5.944 ( 21.218 22.568 13.022) 33.602 6.422 ( -6.802 -4.813 -2.404) 8.673 6.710 ( 11.511 4.774 -7.309) 14.447 7.112 ( -0.585 3.249 -0.665) 3.367 7.565 ( -2.181 -4.711 7.698) 9.284 8.366 ( 0.942 3.322 1.835) 3.910 8.522 ( 5.801 -17.885 -9.759) 21.183 8.693 ( -3.060 7.478 -9.257) 12.287 9.913 ( -2.477 -6.358 2.727) 7.348 10.062 ( 4.587 -11.862 14.443) 19.244 10.273 ( 6.284 11.696 -9.124) 16.110 11.044 ( 1.358 -7.098 7.966) 10.755 11.192 ( 4.157 5.224 -3.624) 7.597 11.414 ( -2.141 -7.596 6.606) 10.292 12.798 ( -42.153 -7.510 -3.158) 42.933 21.091 ( -2.835 -4.806 -0.717) 5.626 21.121 ( -5.203 0.446 -2.296) 5.704 21.296 ( 3.396 -4.968 0.093) 6.019 21.363 ( -1.935 -4.110 -0.332) 4.555 24.828 ( -0.800 -2.283 2.688) 3.617 24.934 ( -0.731 -1.176 1.370) 1.948 32.486 ( -0.388 -0.404 -0.129) 0.575 32.536 ( 0.507 1.488 -1.407) 2.109 43.265 ( 15.506 1.119 1.395) 15.608 43.642 ( 1.854 10.995 -8.594) 14.078 44.594 ( 19.742 13.329 6.328) 24.647 46.075 ( -3.076 20.346 -33.732) 39.513 ======================= Grid point 218 (76/231) ======================= q-point: ( 0.46 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.945 ( 11.477 27.449 25.750) 39.348 4.257 ( 10.768 42.655 6.821) 44.519 5.806 ( 14.110 0.171 -13.086) 19.245 6.155 ( -13.411 -5.144 3.633) 14.816 6.367 ( 6.517 5.292 0.006) 8.395 6.957 ( 17.609 2.422 -13.723) 22.456 7.258 ( 9.832 -4.468 1.211) 10.867 7.587 ( 4.249 2.931 10.720) 11.898 8.134 ( -7.274 -13.389 -12.334) 19.604 8.434 ( -5.574 0.952 -7.952) 9.758 8.882 ( 7.430 10.717 7.296) 14.943 9.839 ( 2.871 -8.642 2.000) 9.324 10.070 ( -2.586 -6.444 13.435) 15.123 10.468 ( 8.369 11.077 -7.956) 16.001 10.970 ( -7.549 -7.523 9.718) 14.423 11.197 ( -0.923 -0.889 -5.413) 5.563 11.438 ( 5.544 -3.178 3.723) 7.396 12.039 ( -39.037 -4.983 1.281) 39.374 20.985 ( -6.409 0.692 -0.627) 6.477 21.063 ( 0.307 -3.011 -1.205) 3.257 21.229 ( -5.032 -2.390 0.262) 5.577 21.337 ( 3.584 -6.790 -0.951) 7.736 24.820 ( 0.134 -0.663 1.527) 1.670 24.914 ( -0.966 -1.060 0.576) 1.545 32.485 ( 0.278 0.414 0.132) 0.516 32.547 ( 0.016 1.389 -1.365) 1.947 43.501 ( 7.799 6.000 -2.848) 10.244 43.776 ( 9.183 4.964 -1.873) 10.606 45.089 ( 21.965 9.750 6.477) 24.890 45.986 ( -6.655 11.445 -26.152) 29.312 ======================= Grid point 219 (77/231) ======================= q-point: ( 0.54 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.529 ( 14.602 24.771 17.799) 33.818 4.806 ( 8.233 26.290 7.822) 28.638 5.665 ( -17.836 -0.062 -5.984) 18.813 6.244 ( 16.749 -2.209 5.831) 17.872 6.454 ( 4.133 4.040 -5.003) 7.644 7.145 ( 0.911 4.888 -3.438) 6.045 7.297 ( 19.472 -11.207 -14.957) 26.990 7.519 ( -7.517 -19.162 -13.329) 24.523 8.092 ( 7.482 -1.471 8.936) 11.747 8.309 ( -6.750 5.597 -1.869) 8.966 9.039 ( -5.629 13.234 2.986) 14.688 9.906 ( 3.843 -1.535 2.718) 4.951 9.981 ( -1.761 -8.243 7.893) 11.548 10.597 ( 0.354 0.570 -7.480) 7.510 10.840 ( -6.877 2.276 9.906) 12.271 11.141 ( 2.786 -7.797 -2.244) 8.578 11.451 ( -11.318 -2.574 0.234) 11.609 11.553 ( -9.734 0.779 7.789) 12.491 20.903 ( -4.815 2.673 -0.697) 5.551 21.025 ( -2.466 -2.575 -0.337) 3.581 21.164 ( 0.817 -1.558 0.536) 1.839 21.308 ( 1.358 -6.754 -1.100) 6.977 24.831 ( 0.683 0.057 0.885) 1.120 24.888 ( -1.136 -0.870 0.002) 1.431 32.505 ( 0.985 1.145 0.421) 1.568 32.547 ( -0.691 1.023 -1.094) 1.650 43.603 ( 0.270 9.114 -8.607) 12.538 44.002 ( 12.392 -0.167 6.440) 13.967 45.518 ( 14.411 5.942 -2.628) 15.808 45.855 ( -2.183 5.978 -12.076) 13.650 ======================= Grid point 220 (78/231) ======================= q-point: ( 0.62 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.815 ( -16.821 -0.190 0.780) 16.841 5.133 ( 14.853 15.326 12.765) 24.868 5.559 ( -0.984 14.029 3.157) 14.413 6.204 ( -14.791 -3.564 4.633) 15.904 6.749 ( 22.976 -1.801 -4.679) 23.517 7.060 ( -5.221 -22.833 -9.741) 25.367 7.218 ( 5.087 10.912 -13.563) 18.136 7.509 ( 13.656 -2.582 -11.696) 18.165 8.057 ( -9.020 3.827 1.424) 9.901 8.397 ( 4.158 0.488 10.144) 10.974 9.080 ( -2.951 13.802 -0.704) 14.132 9.714 ( -18.600 -0.689 11.197) 21.722 10.119 ( 13.301 -7.311 -4.314) 15.779 10.416 ( -9.279 -4.313 -12.594) 16.227 10.813 ( -3.404 -7.233 11.125) 13.699 11.168 ( 1.115 -3.724 11.052) 11.715 11.292 ( -1.118 6.505 -4.215) 7.831 11.567 ( 0.999 -0.504 6.516) 6.611 20.871 ( -2.404 3.701 -1.343) 4.613 20.953 ( -3.113 -0.158 0.530) 3.162 21.211 ( 5.015 -2.467 0.448) 5.607 21.252 ( 0.406 -5.511 -0.450) 5.544 24.850 ( 0.798 0.249 0.513) 0.981 24.860 ( -1.283 -0.663 -0.299) 1.475 32.533 ( -1.213 0.596 -0.691) 1.517 32.540 ( 1.284 1.488 0.591) 2.053 43.612 ( -3.009 7.593 -9.131) 12.251 44.215 ( 8.715 -1.114 9.133) 12.673 45.460 ( -10.404 1.808 -18.542) 21.338 46.094 ( 18.524 3.425 6.843) 20.042 ======================= Grid point 221 (79/231) ======================= q-point: (-0.31 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.355 ( -28.196 -9.469 2.014) 29.812 5.508 ( -16.468 -5.407 -0.011) 17.333 5.546 ( 7.947 9.969 7.148) 14.616 6.092 ( 1.076 8.904 9.096) 12.774 6.670 ( 0.012 -17.739 -10.645) 20.688 7.118 ( 12.582 2.580 -6.501) 14.396 7.341 ( 2.186 11.280 -15.283) 19.120 7.531 ( -2.747 1.034 -4.624) 5.477 8.056 ( 6.419 1.376 1.529) 6.740 8.482 ( 1.679 -6.233 11.588) 13.264 9.168 ( -4.667 7.005 0.738) 8.450 9.504 ( -13.776 8.766 8.812) 18.555 9.967 ( -15.711 -1.165 -16.055) 22.494 10.361 ( 11.911 -3.209 -6.690) 14.033 10.763 ( 3.309 -11.767 10.953) 16.412 11.162 ( -4.167 3.452 4.695) 7.164 11.418 ( 7.073 1.017 1.137) 7.236 11.644 ( 6.527 -3.817 9.880) 12.442 20.865 ( -0.686 2.354 -1.340) 2.794 20.959 ( 0.585 4.977 0.528) 5.039 21.189 ( 0.175 -4.724 0.007) 4.728 21.295 ( 5.972 -3.603 0.404) 6.986 24.830 ( -1.478 -0.497 -0.397) 1.609 24.867 ( 0.669 0.216 0.314) 0.770 32.513 ( -1.328 0.247 -0.322) 1.389 32.577 ( 1.014 1.342 0.532) 1.764 43.558 ( -5.601 5.182 -7.625) 10.788 44.351 ( 3.178 -0.953 8.839) 9.441 45.165 ( -14.714 -0.707 -14.839) 20.910 46.457 ( 18.093 1.519 4.962) 18.822 ======================= Grid point 222 (80/231) ======================= q-point: (-0.23 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.782 ( -31.434 -10.553 5.877) 33.675 4.972 ( -35.295 -9.079 6.156) 36.960 5.777 ( 10.246 4.161 -4.410) 11.905 6.256 ( 2.111 2.925 0.788) 3.692 6.587 ( 4.681 -4.972 0.856) 6.882 7.132 ( -6.173 1.280 -1.084) 6.397 7.312 ( -11.692 9.221 -6.084) 16.086 7.569 ( 9.581 5.942 -17.047) 20.438 8.261 ( 17.021 -5.719 -1.397) 18.010 8.368 ( -13.416 -13.248 14.061) 23.520 8.987 ( -13.002 1.192 3.768) 13.589 9.553 ( -2.106 10.913 2.425) 11.376 9.699 ( -7.743 4.861 -12.207) 15.251 10.503 ( 8.223 -0.607 -0.132) 8.247 10.801 ( 0.428 2.218 0.381) 2.291 11.191 ( 1.700 5.773 0.988) 6.099 11.486 ( 0.093 -0.579 0.542) 0.798 11.846 ( 22.349 -15.010 14.894) 30.767 20.898 ( 2.234 3.174 -0.723) 3.948 21.052 ( 2.804 7.353 0.039) 7.869 21.167 ( 1.831 -3.410 0.810) 3.954 21.341 ( 4.874 -5.818 -0.626) 7.616 24.798 ( -1.621 -0.290 -0.265) 1.668 24.879 ( 0.429 0.092 0.257) 0.508 32.494 ( -0.902 0.050 -0.074) 0.907 32.600 ( 0.198 0.815 0.171) 0.856 43.454 ( -7.712 3.484 -5.226) 9.946 44.386 ( -2.458 -1.299 5.059) 5.772 44.825 ( -17.547 -0.942 -8.601) 19.565 46.761 ( 15.815 -0.024 0.674) 15.829 ======================= Grid point 223 (81/231) ======================= q-point: (-0.15 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( -33.634 -9.243 10.605) 36.458 4.271 ( -42.823 -8.476 5.466) 43.994 5.958 ( 9.138 4.666 -4.786) 11.322 6.189 ( -12.667 1.238 -9.896) 16.122 6.545 ( -9.283 -3.702 11.835) 15.490 6.973 ( -10.619 -2.809 -9.483) 14.511 7.255 ( -2.509 4.144 7.687) 9.086 7.544 ( -9.112 1.671 -14.878) 17.526 8.067 ( -7.497 -0.561 9.193) 11.876 8.536 ( 18.442 -1.427 -3.611) 18.847 8.955 ( 5.843 -2.689 0.922) 6.497 9.573 ( -3.122 5.169 2.388) 6.494 9.671 ( -0.029 4.935 -2.356) 5.469 10.618 ( 6.668 -4.090 6.520) 10.183 10.765 ( -6.951 6.622 -6.234) 11.447 11.287 ( -1.750 10.158 -1.735) 10.453 11.429 ( -4.951 -1.323 -1.412) 5.316 12.276 ( 38.598 -17.438 12.052) 44.036 20.989 ( 4.871 3.892 -0.441) 6.250 21.166 ( 2.495 2.243 1.414) 3.641 21.199 ( 4.388 1.840 -0.786) 4.823 21.344 ( 3.679 -6.167 -1.350) 7.307 24.770 ( -1.566 -0.016 0.248) 1.585 24.886 ( 0.256 0.001 0.425) 0.496 32.485 ( -0.097 -0.027 -0.010) 0.101 32.600 ( -0.774 0.215 -0.385) 0.891 43.327 ( -8.843 3.487 -2.312) 9.782 44.268 ( -8.369 -5.662 -7.196) 12.405 44.520 ( -18.517 4.544 5.129) 19.744 46.973 ( 12.411 -1.896 -6.953) 14.351 ======================= Grid point 224 (82/231) ======================= q-point: (-0.08 0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -35.116 -4.637 15.238) 38.559 3.454 ( -48.439 -8.820 2.418) 49.295 5.592 ( -57.438 9.891 2.705) 58.346 6.122 ( 7.713 2.271 -7.616) 11.075 6.477 ( -0.262 -3.816 7.206) 8.158 6.743 ( -4.763 -2.051 -13.646) 14.599 7.206 ( -8.302 -7.157 5.620) 12.318 7.366 ( -9.892 6.038 5.202) 12.703 8.195 ( 9.769 9.499 1.674) 13.728 8.795 ( 13.226 4.924 -6.001) 15.336 9.045 ( 10.237 -5.172 -8.067) 14.022 9.642 ( 2.276 4.561 8.417) 9.841 9.711 ( 1.149 -1.077 6.217) 6.413 10.632 ( -3.732 0.535 -6.890) 7.854 10.770 ( 6.325 0.313 5.202) 8.195 11.279 ( -6.243 2.627 -0.934) 6.837 11.322 ( -5.383 0.988 0.685) 5.516 12.811 ( 38.449 -16.202 0.889) 41.733 21.109 ( 5.829 0.078 -0.347) 5.840 21.179 ( 2.256 -3.592 -1.007) 4.359 21.302 ( 3.736 2.129 -0.285) 4.309 21.377 ( 4.396 1.899 -0.534) 4.818 24.754 ( -0.893 0.290 1.617) 1.870 24.893 ( 0.237 -0.036 0.882) 0.914 32.491 ( 0.789 -0.072 -0.091) 0.797 32.577 ( -1.457 -0.139 -0.940) 1.740 43.220 ( -8.462 5.631 1.010) 10.215 43.965 ( -12.606 -6.967 -11.396) 18.367 44.335 ( -18.119 8.776 10.072) 22.512 47.033 ( 5.787 -4.322 -20.942) 22.152 ======================= Grid point 229 (83/231) ======================= q-point: ( 0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -0.000 40.480 20.058) 45.176 3.970 ( -0.000 41.130 27.876) 49.686 4.937 ( -0.000 30.067 14.011) 33.171 5.674 ( 0.000 17.270 -14.356) 22.458 6.476 ( 0.000 -7.276 -18.843) 20.199 6.482 ( 0.000 -5.942 -1.507) 6.130 7.360 ( -0.000 10.973 7.887) 13.513 7.707 ( -0.000 3.312 14.829) 15.195 7.880 ( -0.000 -16.855 -2.231) 17.002 8.604 ( 0.000 0.388 -8.926) 8.934 8.864 ( 0.000 3.514 -11.951) 12.457 9.821 ( 0.000 -8.749 -11.349) 14.330 10.015 ( -0.000 1.278 6.249) 6.378 10.157 ( -0.000 -8.812 11.967) 14.861 10.989 ( -0.000 -2.943 4.780) 5.613 11.056 ( 0.000 9.881 -3.902) 10.624 11.517 ( -0.000 -9.882 9.254) 13.538 13.631 ( 0.000 -12.468 -5.703) 13.710 21.116 ( -0.000 -5.798 2.717) 6.403 21.148 ( 0.000 -8.336 -3.639) 9.096 21.295 ( 0.000 3.260 -3.287) 4.629 21.416 ( -0.000 -3.384 1.069) 3.549 24.850 ( -0.000 -4.479 3.647) 5.776 24.947 ( -0.000 -1.394 1.772) 2.254 32.500 ( -0.000 -0.967 -0.212) 0.990 32.519 ( 0.000 1.459 -1.236) 1.912 42.903 ( 0.000 3.445 -2.319) 4.153 43.658 ( 0.000 12.027 -7.091) 13.961 44.224 ( -0.000 17.728 4.061) 18.187 46.134 ( 0.000 28.282 -35.055) 45.041 ======================= Grid point 230 (84/231) ======================= q-point: ( 0.38 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.671 ( 5.913 37.022 21.930) 43.435 4.330 ( -13.494 42.505 22.684) 50.033 5.311 ( 15.911 4.488 -10.986) 19.849 5.951 ( 9.079 21.076 7.486) 24.139 6.372 ( 8.138 -7.851 -14.373) 18.287 6.424 ( 4.664 -3.509 -9.071) 10.786 7.336 ( -15.064 4.863 6.178) 16.992 7.596 ( -2.472 -4.938 3.175) 6.370 8.114 ( 19.688 -1.963 2.745) 19.975 8.514 ( -8.210 0.634 -5.350) 9.820 8.816 ( -4.977 10.781 -5.657) 13.153 9.759 ( 7.297 -10.526 -7.641) 14.913 10.021 ( -1.089 -4.923 12.718) 13.681 10.182 ( 6.637 -5.358 3.014) 9.046 11.007 ( 0.986 -0.913 4.191) 4.401 11.171 ( 3.915 9.273 -2.828) 10.456 11.429 ( -3.935 -9.102 5.827) 11.501 13.262 ( -24.728 -12.647 -3.786) 28.031 21.029 ( -0.832 -7.494 -1.217) 7.637 21.133 ( 4.682 -6.106 -0.002) 7.694 21.260 ( -4.947 2.603 -1.994) 5.935 21.377 ( -1.784 -2.948 0.362) 3.465 24.827 ( -0.345 -2.596 2.547) 3.653 24.937 ( -0.391 -1.409 1.097) 1.827 32.488 ( -0.327 -0.404 -0.121) 0.534 32.533 ( 0.612 1.497 -1.285) 2.065 43.033 ( 12.247 2.671 -1.142) 12.586 43.720 ( -1.807 12.160 -7.110) 14.202 44.509 ( 10.904 16.136 5.032) 20.114 46.171 ( -3.510 19.337 -28.303) 34.457 ======================= Grid point 231 (85/231) ======================= q-point: ( 0.46 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.223 ( 6.306 30.561 25.470) 40.280 4.684 ( -4.329 42.420 14.656) 45.089 5.503 ( 14.009 3.442 -12.912) 19.361 6.201 ( 15.019 -7.183 -8.841) 18.850 6.314 ( -2.231 -4.570 4.761) 6.967 6.545 ( 6.686 0.187 -13.514) 15.079 7.249 ( -1.743 5.823 2.238) 6.477 7.595 ( 3.814 -1.179 6.844) 7.923 8.076 ( -10.054 -15.050 -11.939) 21.682 8.497 ( 0.349 9.305 -1.574) 9.443 8.950 ( 5.014 17.623 6.350) 19.392 9.699 ( 1.481 -12.696 -0.157) 12.783 10.084 ( 3.424 -3.503 13.514) 14.374 10.279 ( 11.970 -4.617 -5.718) 14.047 11.031 ( -0.562 -0.229 4.358) 4.400 11.227 ( -6.225 0.328 -4.941) 7.955 11.360 ( 4.041 -1.848 5.579) 7.132 12.626 ( -35.633 -8.716 -0.685) 36.690 20.960 ( 1.158 -6.204 -0.667) 6.347 21.124 ( -2.044 -1.260 -1.971) 3.106 21.208 ( 0.124 -2.231 0.411) 2.272 21.299 ( -4.354 -2.599 -0.119) 5.072 24.818 ( 0.087 -1.098 1.646) 1.980 24.919 ( -0.691 -1.196 0.423) 1.444 32.485 ( 0.164 0.251 0.091) 0.313 32.550 ( 0.458 1.484 -1.278) 2.012 43.309 ( 17.334 1.806 0.981) 17.455 43.766 ( -1.171 11.005 -7.713) 13.490 44.907 ( 16.493 12.214 6.131) 21.419 46.098 ( -7.422 12.157 -22.195) 26.372 ======================= Grid point 232 (86/231) ======================= q-point: ( 0.54 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.727 ( 6.509 26.611 24.282) 36.608 5.071 ( -2.166 30.134 9.491) 31.668 5.734 ( 12.303 3.217 -6.627) 14.340 6.131 ( -6.441 0.795 2.540) 6.970 6.401 ( 3.714 -2.328 0.244) 4.390 6.607 ( 27.872 -9.787 -21.207) 36.364 7.234 ( -2.637 -0.298 -5.245) 5.878 7.503 ( -17.759 -13.983 -9.876) 24.667 7.940 ( 14.016 -1.070 8.850) 16.610 8.506 ( -7.800 10.134 -4.288) 13.488 9.244 ( 1.473 15.362 6.935) 16.919 9.632 ( 7.874 -12.420 0.715) 14.723 10.107 ( -4.250 -3.284 7.298) 9.061 10.426 ( 12.551 -7.419 -2.634) 14.816 11.018 ( -4.178 0.129 5.313) 6.760 11.068 ( -5.231 -1.584 -4.042) 6.798 11.457 ( 3.609 0.227 3.836) 5.272 11.997 ( -32.051 -2.872 1.793) 32.229 20.939 ( 1.786 -3.799 0.355) 4.213 21.055 ( -4.348 1.997 -2.218) 5.274 21.185 ( -2.828 -2.796 0.387) 3.995 21.211 ( 0.459 -4.735 -0.130) 4.759 24.825 ( 0.585 -0.265 1.023) 1.208 24.897 ( -0.908 -0.874 -0.059) 1.261 32.501 ( 0.921 0.830 0.332) 1.283 32.560 ( -0.192 1.275 -1.098) 1.693 43.603 ( 11.371 4.952 0.913) 12.436 43.828 ( 4.965 5.341 -5.656) 9.229 45.323 ( 17.550 8.267 5.302) 20.111 45.944 ( -9.277 6.621 -16.048) 19.684 ======================= Grid point 233 (87/231) ======================= q-point: ( 0.62 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.130 ( -15.203 7.827 5.316) 17.907 5.205 ( 6.692 19.192 17.363) 26.732 5.770 ( -6.260 10.396 0.611) 12.151 6.270 ( 8.831 -5.008 10.891) 14.889 6.399 ( 8.655 -3.965 -11.095) 14.620 6.954 ( -9.472 -13.420 -7.756) 18.165 7.017 ( 26.196 -4.625 -11.582) 29.013 7.232 ( 1.543 12.314 -15.048) 19.505 8.180 ( 5.973 -1.162 8.275) 10.271 8.427 ( -7.371 5.764 -0.769) 9.389 9.301 ( -7.908 10.282 2.073) 13.136 9.763 ( 16.540 -8.839 -0.546) 18.761 9.966 ( -10.000 -6.539 5.886) 13.319 10.415 ( -2.161 -7.528 -6.543) 10.206 10.900 ( -8.195 -7.908 6.853) 13.291 11.117 ( 5.941 6.969 3.480) 9.796 11.492 ( -7.198 2.541 1.724) 7.825 11.597 ( -10.216 -1.649 2.364) 10.615 20.940 ( -0.386 0.927 0.316) 1.053 20.994 ( -3.549 0.617 -1.623) 3.951 21.134 ( 0.783 -2.279 0.607) 2.485 21.183 ( 1.153 -5.010 -0.200) 5.144 24.840 ( 0.832 0.046 0.616) 1.036 24.873 ( -1.097 -0.549 -0.291) 1.261 32.533 ( 1.468 1.088 0.472) 1.887 32.556 ( -0.973 0.923 -0.768) 1.546 43.715 ( -3.204 9.332 -4.469) 10.831 44.021 ( 15.226 -1.768 1.536) 15.405 45.583 ( -3.877 7.159 -6.091) 10.167 45.867 ( 10.164 0.737 -1.128) 10.252 ======================= Grid point 234 (88/231) ======================= q-point: (-0.31 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.763 ( -27.037 -5.007 4.723) 27.900 5.543 ( 0.711 16.718 1.234) 16.778 5.773 ( -6.346 0.293 10.589) 12.348 6.233 ( -1.948 -1.720 5.268) 5.874 6.383 ( 0.673 -17.972 -10.623) 20.888 6.833 ( 16.025 -1.820 -1.455) 16.194 7.354 ( 5.319 21.535 -17.211) 28.076 7.453 ( 15.308 5.492 -4.601) 16.902 8.145 ( -10.158 2.645 0.936) 10.538 8.413 ( 3.131 -9.323 7.711) 12.497 9.304 ( -3.983 10.542 -1.204) 11.333 9.782 ( -9.122 -2.276 8.305) 12.545 9.943 ( 14.797 -6.547 -3.593) 16.575 10.214 ( -8.433 -1.764 -13.126) 15.701 10.711 ( -6.844 -12.325 13.867) 19.775 11.316 ( -0.756 4.118 8.237) 9.240 11.325 ( -1.394 1.784 -5.607) 6.047 11.591 ( 2.208 -2.714 3.952) 5.278 20.918 ( -3.536 2.747 -1.463) 4.711 20.986 ( 1.479 2.557 0.652) 3.025 21.135 ( 1.174 -4.167 0.107) 4.331 21.175 ( 3.693 -3.554 0.228) 5.130 24.847 ( -1.258 -0.268 -0.296) 1.320 24.858 ( 0.773 0.061 0.342) 0.848 32.539 ( -1.497 0.541 -0.398) 1.641 32.570 ( 1.474 0.899 0.382) 1.769 43.688 ( -6.333 6.999 -3.795) 10.173 44.237 ( 11.290 -2.207 1.317) 11.579 45.390 ( -16.164 4.353 -6.033) 17.794 46.164 ( 19.523 -0.542 1.528) 19.590 ======================= Grid point 235 (89/231) ======================= q-point: (-0.23 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( -30.887 -4.952 7.693) 32.214 5.407 ( -22.564 -3.953 0.441) 22.912 5.733 ( -1.073 4.051 0.984) 4.304 6.215 ( 1.781 -7.666 -7.249) 10.700 6.403 ( 12.691 1.354 8.612) 15.396 7.090 ( 11.872 0.386 -2.351) 12.108 7.513 ( -2.051 22.405 -17.466) 28.482 7.569 ( -3.565 4.295 -0.002) 5.582 8.037 ( 0.171 -1.129 -3.723) 3.894 8.379 ( 1.129 -16.346 12.549) 20.639 9.257 ( -11.659 1.220 1.463) 11.813 9.717 ( -5.285 3.009 5.368) 8.112 9.868 ( -13.541 7.488 -13.366) 20.447 10.293 ( 18.581 2.441 -3.860) 19.134 10.675 ( 9.637 -9.656 12.278) 18.354 11.213 ( -3.067 -0.158 -2.040) 3.687 11.443 ( 3.199 -0.454 2.217) 3.918 11.609 ( 2.574 -7.260 5.446) 9.433 20.902 ( -0.387 2.408 -0.769) 2.558 21.068 ( 3.279 5.214 0.132) 6.160 21.118 ( 0.972 -2.450 0.632) 2.710 21.203 ( 4.327 -5.389 -0.471) 6.927 24.821 ( -1.478 -0.008 -0.162) 1.487 24.872 ( 0.652 -0.032 0.244) 0.696 32.515 ( -1.524 0.245 -0.114) 1.548 32.598 ( 0.898 0.337 0.021) 0.959 43.611 ( -8.045 5.135 -1.414) 9.648 44.341 ( 4.468 -3.343 -3.497) 6.585 45.132 ( -18.073 4.989 1.336) 18.797 46.464 ( 18.054 -1.918 -2.666) 18.351 ======================= Grid point 236 (90/231) ======================= q-point: (-0.15 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.747 ( -32.915 -1.953 11.492) 34.918 4.876 ( -35.531 -5.080 1.123) 35.910 5.829 ( 7.245 3.855 0.370) 8.215 6.181 ( 4.776 -3.327 -8.689) 10.458 6.622 ( 5.407 0.446 6.101) 8.164 7.109 ( -9.662 -0.387 -2.262) 9.930 7.423 ( -10.878 2.016 3.518) 11.609 7.629 ( -2.461 20.324 -19.515) 28.283 8.129 ( 14.034 -5.535 -0.673) 15.102 8.296 ( -0.865 -8.333 11.388) 14.138 9.007 ( -14.220 -2.360 1.845) 14.532 9.677 ( -3.546 -0.147 5.097) 6.211 9.753 ( -5.244 9.820 -6.213) 12.749 10.500 ( 7.347 -3.276 6.536) 10.365 10.858 ( 1.460 3.066 -4.863) 5.931 11.321 ( 14.845 9.638 -5.732) 18.605 11.444 ( -0.854 -3.518 -0.204) 3.626 11.619 ( 13.691 -19.811 10.531) 26.283 20.941 ( 3.032 1.146 -0.172) 3.246 21.118 ( 1.320 -2.053 -0.297) 2.459 21.174 ( 4.056 -0.535 0.096) 4.092 21.231 ( 4.295 1.626 -0.568) 4.628 24.798 ( -1.516 0.261 0.196) 1.551 24.882 ( 0.501 -0.115 0.324) 0.608 32.495 ( -1.031 0.067 0.002) 1.033 32.604 ( -0.006 -0.286 -0.521) 0.595 43.516 ( -8.939 4.931 1.452) 10.312 44.267 ( -3.876 -5.733 -10.224) 12.346 44.927 ( -17.657 8.540 9.543) 21.812 46.681 ( 14.580 -3.445 -9.309) 17.638 ======================= Grid point 237 (91/231) ======================= q-point: (-0.08 0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -34.005 3.833 14.884) 37.317 4.168 ( -44.233 -4.233 -0.744) 44.442 6.000 ( 6.335 4.362 0.058) 7.691 6.202 ( 1.372 5.174 -9.059) 10.523 6.647 ( -5.677 -0.931 8.389) 10.172 6.745 ( -24.519 -3.819 -7.763) 26.001 7.298 ( -8.094 -4.194 6.532) 11.215 7.613 ( -9.300 16.546 -10.662) 21.770 8.259 ( 0.572 3.609 15.407) 15.834 8.497 ( 23.053 3.178 -6.120) 24.063 8.851 ( 0.318 -4.836 -4.494) 6.610 9.674 ( 0.335 -1.760 8.402) 8.591 9.763 ( -2.107 4.619 2.799) 5.798 10.602 ( 4.783 -4.855 6.124) 9.163 10.771 ( -4.897 0.876 -5.022) 7.069 11.365 ( -3.929 -2.667 -1.208) 4.900 11.404 ( -4.202 -0.936 -0.708) 4.362 12.011 ( 38.919 -11.272 -2.711) 40.609 20.996 ( 3.926 -4.556 -0.053) 6.015 21.113 ( 2.300 -0.795 -1.841) 3.051 21.217 ( 4.671 -3.349 0.475) 5.767 21.361 ( 4.326 7.390 -0.314) 8.569 24.781 ( -1.172 0.484 0.920) 1.566 24.891 ( 0.472 -0.154 0.647) 0.816 32.485 ( -0.208 -0.022 -0.045) 0.214 32.588 ( -0.821 -0.591 -1.055) 1.462 43.438 ( -8.619 6.582 4.357) 11.687 44.029 ( -9.734 -6.000 -11.988) 16.567 44.792 ( -17.908 11.483 12.161) 24.505 46.764 ( 8.665 -5.036 -19.427) 21.859 ======================= Grid point 243 (92/231) ======================= q-point: ( 0.38 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( -0.000 36.740 20.122) 41.889 4.970 ( -0.000 33.448 23.411) 40.827 5.131 ( 0.000 3.448 -10.700) 11.242 6.007 ( 0.000 -13.848 -22.104) 26.083 6.174 ( -0.000 17.125 9.232) 19.455 6.344 ( 0.000 1.294 -6.513) 6.640 7.530 ( -0.000 -4.655 2.953) 5.512 7.621 ( -0.000 -6.292 1.337) 6.432 7.912 ( 0.000 9.630 -2.140) 9.865 8.595 ( 0.000 3.144 -2.949) 4.310 8.987 ( 0.000 16.068 2.993) 16.344 9.534 ( 0.000 -8.470 -9.216) 12.517 9.990 ( -0.000 -20.448 11.435) 23.428 10.109 ( -0.000 1.163 6.819) 6.918 11.025 ( -0.000 1.094 3.228) 3.408 11.218 ( 0.000 10.348 -3.092) 10.800 11.407 ( -0.000 -7.418 2.644) 7.875 13.303 ( 0.000 -15.907 -4.577) 16.552 20.959 ( 0.000 -7.688 -2.750) 8.165 21.036 ( -0.000 -5.361 2.624) 5.969 21.324 ( 0.000 3.352 -3.368) 4.751 21.362 ( -0.000 -3.305 1.179) 3.509 24.819 ( -0.000 -2.024 2.116) 2.928 24.931 ( -0.000 -1.391 0.633) 1.528 32.487 ( 0.000 -0.247 -0.078) 0.258 32.535 ( 0.000 1.507 -1.183) 1.916 42.951 ( 0.000 3.669 -1.873) 4.119 43.823 ( 0.000 10.943 -3.842) 11.598 44.599 ( 0.000 16.643 3.703) 17.050 46.234 ( 0.000 14.797 -23.217) 27.531 ======================= Grid point 244 (93/231) ======================= q-point: ( 0.46 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.558 ( 4.189 31.867 19.894) 37.799 5.110 ( 0.725 11.244 2.671) 11.580 5.398 ( 6.441 17.781 4.784) 19.507 5.811 ( 2.209 -6.162 -14.443) 15.857 6.217 ( 3.546 -7.129 -6.881) 10.523 6.547 ( 4.640 11.058 6.427) 13.606 7.377 ( -7.385 -6.697 -6.417) 11.856 7.548 ( -0.573 1.539 7.063) 7.251 8.037 ( -1.059 -0.090 -10.825) 10.877 8.569 ( -0.659 3.279 0.067) 3.345 9.126 ( -3.493 16.324 5.418) 17.551 9.556 ( 7.230 -1.812 -1.406) 7.585 9.901 ( 9.603 -18.851 8.784) 22.907 10.155 ( 0.292 -0.697 5.167) 5.222 11.049 ( 0.327 0.614 1.268) 1.446 11.314 ( -4.131 -6.026 1.284) 7.418 11.320 ( 2.050 8.772 -2.551) 9.362 12.965 ( -18.897 -13.793 -3.722) 23.689 20.880 ( 0.591 -6.173 -1.433) 6.365 21.032 ( 3.371 -5.206 1.275) 6.332 21.285 ( -4.546 1.188 -0.936) 4.791 21.334 ( -2.038 -0.963 -0.720) 2.366 24.814 ( 0.112 -1.174 1.572) 1.965 24.918 ( -0.342 -1.132 0.162) 1.193 32.486 ( 0.035 0.130 0.045) 0.142 32.549 ( 0.566 1.414 -1.098) 1.877 43.075 ( 11.546 2.709 -0.912) 11.895 43.882 ( -2.684 9.973 -2.834) 10.710 44.844 ( 8.985 13.427 3.859) 16.610 46.207 ( -4.815 10.330 -17.982) 21.290 ======================= Grid point 245 (94/231) ======================= q-point: ( 0.54 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.015 ( 4.400 25.707 21.559) 33.838 5.335 ( 10.869 7.537 4.582) 13.998 5.630 ( -0.667 14.469 2.866) 14.766 5.860 ( 21.869 -5.833 -13.793) 26.506 6.210 ( 4.602 0.265 -8.891) 10.015 6.534 ( -13.117 -1.641 6.421) 14.696 7.225 ( -1.526 -0.244 -9.714) 9.837 7.694 ( -15.798 -1.030 -4.730) 16.523 7.734 ( 7.315 -6.306 3.103) 10.144 8.650 ( 0.620 8.058 -3.909) 8.978 9.276 ( 7.027 4.803 2.124) 8.773 9.552 ( -4.164 -4.959 8.443) 10.640 10.069 ( 12.818 -7.209 -3.186) 15.047 10.171 ( 3.638 -0.586 9.729) 10.403 11.039 ( -1.747 -2.001 -1.475) 3.038 11.185 ( -6.094 -1.031 1.315) 6.319 11.422 ( 3.229 4.114 -0.396) 5.245 12.449 ( -27.162 -7.972 -2.303) 28.401 20.854 ( 2.770 -4.237 -0.226) 5.067 21.042 ( 2.831 -4.288 -0.251) 5.144 21.214 ( -4.541 0.711 -0.037) 4.596 21.262 ( -5.118 -0.577 -0.713) 5.200 24.818 ( 0.481 -0.528 1.059) 1.278 24.901 ( -0.606 -0.748 -0.169) 0.977 32.495 ( 0.669 0.452 0.223) 0.837 32.565 ( 0.393 1.250 -0.948) 1.618 43.346 ( 18.124 1.375 0.323) 18.179 43.903 ( -3.814 8.798 -2.767) 9.981 45.163 ( 14.028 8.366 3.996) 16.815 46.093 ( -9.136 6.957 -12.588) 17.039 ======================= Grid point 246 (95/231) ======================= q-point: ( 0.62 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.399 ( -1.311 12.265 16.367) 20.495 5.467 ( -2.836 10.661 7.701) 13.454 5.767 ( 9.641 0.358 -1.215) 9.723 6.187 ( 0.485 -7.368 -14.380) 16.165 6.266 ( 13.817 6.302 -1.341) 15.245 6.379 ( 13.951 -3.018 5.122) 15.165 7.156 ( -20.483 -8.099 -3.256) 22.265 7.269 ( -0.355 15.293 -16.204) 22.285 7.993 ( 14.094 -5.260 8.467) 17.262 8.643 ( -8.171 7.802 -4.481) 12.154 9.424 ( 9.325 -9.757 1.416) 13.570 9.514 ( -0.784 4.647 5.814) 7.484 10.000 ( -3.927 -8.949 0.251) 9.775 10.332 ( 3.681 -1.946 0.553) 4.201 10.965 ( -3.139 -1.765 1.955) 4.097 11.142 ( -0.432 1.436 2.009) 2.507 11.498 ( 2.696 1.858 0.041) 3.275 11.942 ( -25.738 -2.623 -1.787) 25.933 20.883 ( 4.150 -2.383 0.570) 4.820 21.039 ( 0.562 -1.285 -1.504) 2.056 21.152 ( -4.174 0.017 0.081) 4.174 21.165 ( -3.832 -1.364 0.219) 4.073 24.829 ( 0.794 -0.222 0.644) 1.046 24.883 ( -0.828 -0.364 -0.304) 0.954 32.518 ( 1.382 0.527 0.333) 1.517 32.573 ( -0.323 0.984 -0.676) 1.237 43.673 ( 18.683 0.926 0.838) 18.725 43.897 ( -4.060 6.431 -2.213) 7.921 45.494 ( 16.385 4.096 2.762) 17.114 45.919 ( -12.020 4.418 -7.145) 14.664 ======================= Grid point 247 (96/231) ======================= q-point: (-0.31 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.177 ( -22.466 -2.517 6.725) 23.586 5.776 ( -0.690 13.213 -1.318) 13.296 5.820 ( 4.823 -1.448 2.813) 5.768 6.017 ( -1.156 -12.138 -8.122) 14.651 6.302 ( 5.395 -5.613 10.327) 12.933 6.755 ( -11.500 -1.212 -4.777) 12.512 7.014 ( 35.807 6.667 0.728) 36.430 7.475 ( 3.851 27.386 -14.494) 31.224 8.143 ( 9.040 -13.560 9.679) 18.955 8.485 ( -14.194 2.897 -3.692) 14.950 9.462 ( 0.301 2.736 3.490) 4.445 9.630 ( 8.675 -1.243 -2.590) 9.138 9.847 ( -3.091 -9.597 5.298) 11.389 10.249 ( -5.607 -1.611 -8.443) 10.262 10.866 ( -10.211 -4.480 9.287) 14.512 11.227 ( 6.648 0.813 -1.503) 6.864 11.542 ( -2.794 1.168 0.427) 3.058 11.564 ( -12.386 -1.266 -0.629) 12.467 20.945 ( 4.562 -0.532 0.704) 4.647 21.009 ( -4.192 2.436 -1.846) 5.188 21.091 ( -0.406 -2.456 1.091) 2.717 21.126 ( -0.404 -1.240 -0.181) 1.316 24.844 ( 0.901 -0.175 0.343) 0.979 24.864 ( -1.034 -0.043 -0.273) 1.071 32.550 ( 1.688 0.243 0.256) 1.724 32.566 ( -1.127 0.653 -0.329) 1.343 43.849 ( -6.116 6.324 0.547) 8.815 43.981 ( 16.292 -1.935 -1.794) 16.504 45.691 ( -14.160 7.344 0.326) 15.955 45.832 ( 17.700 -2.818 -1.693) 18.003 ======================= Grid point 248 (97/231) ======================= q-point: (-0.23 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.769 ( -28.224 -1.397 9.006) 29.659 5.628 ( -4.005 -10.387 -12.136) 16.469 5.775 ( -6.864 -2.545 1.658) 7.506 6.041 ( 1.949 -0.880 -3.573) 4.165 6.392 ( 2.293 5.725 12.306) 13.765 6.808 ( 16.752 1.474 -2.977) 17.079 7.537 ( 15.698 4.913 4.303) 17.002 7.684 ( -0.771 24.288 -14.909) 28.509 8.137 ( -3.222 -9.096 5.921) 11.321 8.238 ( -6.126 -9.644 0.567) 11.440 9.440 ( -9.392 3.750 0.321) 10.118 9.734 ( 6.466 -9.449 0.020) 11.449 9.898 ( 12.916 4.400 3.705) 14.139 10.115 ( -3.973 6.424 -13.052) 15.080 10.679 ( -10.825 -7.052 15.546) 20.214 11.222 ( -1.722 -4.594 -9.051) 10.295 11.437 ( -1.215 1.053 4.745) 5.010 11.558 ( 0.676 -2.560 0.159) 2.652 20.951 ( -3.632 1.512 -0.404) 3.955 21.025 ( 4.864 -0.662 0.375) 4.923 21.090 ( 0.839 -0.346 0.530) 1.051 21.124 ( 1.573 -0.150 -0.675) 1.718 24.844 ( -1.232 0.214 -0.110) 1.255 24.859 ( 0.849 -0.237 0.151) 0.894 32.545 ( -1.673 0.344 -0.014) 1.708 32.577 ( 1.458 -0.341 -0.062) 1.499 43.790 ( -7.466 4.110 2.553) 8.897 44.165 ( 9.925 -2.762 -5.461) 11.660 45.499 ( -16.746 6.795 5.935) 19.022 46.110 ( 19.158 -3.029 -4.948) 20.017 ======================= Grid point 249 (98/231) ======================= q-point: (-0.15 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.339 ( -30.423 2.368 12.202) 32.864 5.310 ( -20.044 -5.487 -7.196) 21.992 5.757 ( 5.587 -2.448 4.672) 7.684 5.992 ( 2.931 -3.772 -8.160) 9.455 6.586 ( 3.672 6.931 6.361) 10.099 7.115 ( 13.438 4.286 -1.088) 14.147 7.623 ( -7.928 0.872 3.592) 8.747 7.771 ( -1.206 14.353 -9.230) 17.107 7.974 ( -5.202 2.930 -10.044) 11.684 8.185 ( 6.405 -14.482 10.429) 18.960 9.248 ( -14.540 -3.162 0.721) 14.897 9.688 ( 0.971 -10.775 3.340) 11.322 9.979 ( -9.241 15.217 -7.483) 19.312 10.361 ( 15.989 5.002 0.952) 16.780 10.648 ( 10.592 -6.020 12.412) 17.392 11.113 ( 1.470 -5.120 -7.015) 8.809 11.450 ( -0.105 -0.814 1.923) 2.091 11.518 ( -1.520 -4.154 -0.984) 4.531 20.922 ( -0.544 -0.634 0.442) 0.945 21.058 ( 2.892 -6.046 -0.650) 6.733 21.111 ( 0.699 2.472 0.202) 2.576 21.200 ( 4.802 4.912 -0.498) 6.887 24.826 ( -1.367 0.442 0.127) 1.442 24.870 ( 0.772 -0.305 0.142) 0.842 32.519 ( -1.682 0.144 0.148) 1.695 32.589 ( 0.786 -0.938 -0.528) 1.333 43.718 ( -7.968 3.821 5.073) 10.189 44.184 ( 1.497 -4.667 -10.136) 11.258 45.350 ( -16.141 9.523 11.679) 22.082 46.335 ( 16.550 -4.206 -10.529) 20.062 ======================= Grid point 250 (99/231) ======================= q-point: (-0.08 0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.947 ( -31.321 8.046 15.176) 35.722 4.791 ( -34.276 -1.717 -4.468) 34.609 5.881 ( 11.552 -7.022 -3.937) 14.081 6.057 ( 7.915 4.454 0.700) 9.109 6.640 ( -3.077 1.516 -3.317) 4.772 7.135 ( -14.406 2.515 1.062) 14.663 7.513 ( -11.933 3.104 8.820) 15.160 7.859 ( -4.781 20.577 -16.051) 26.531 8.044 ( 23.927 -3.216 -0.183) 24.143 8.256 ( 8.313 -5.119 4.194) 10.625 8.944 ( -15.233 -5.863 1.542) 16.395 9.634 ( 2.934 -12.863 7.489) 15.171 9.943 ( -9.567 12.634 1.096) 15.886 10.511 ( 4.520 -2.671 6.990) 8.742 10.802 ( 0.154 -1.717 -4.353) 4.682 11.217 ( 17.035 -12.981 2.578) 21.572 11.418 ( -3.089 -5.230 -3.174) 6.854 11.516 ( 10.412 8.394 -4.512) 14.115 20.912 ( 1.028 -3.965 0.132) 4.098 21.042 ( 3.156 -4.602 -0.574) 5.610 21.154 ( 1.310 2.301 0.008) 2.648 21.338 ( 5.643 5.380 -0.704) 7.828 24.810 ( -1.270 0.608 0.509) 1.497 24.881 ( 0.742 -0.331 0.315) 0.871 32.497 ( -1.188 0.080 0.135) 1.198 32.581 ( 0.035 -1.157 -0.990) 1.523 43.661 ( -7.648 5.216 7.030) 11.624 44.041 ( -5.296 -5.143 -11.718) 13.850 45.257 ( -16.240 12.122 14.047) 24.658 46.451 ( 11.482 -5.294 -18.132) 22.106 ======================= Grid point 257 (100/231) ======================= q-point: ( 0.46 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.845 ( 0.000 21.709 2.390) 21.840 5.186 ( -0.000 11.671 10.968) 16.016 5.289 ( 0.000 -10.236 -6.614) 12.187 6.025 ( 0.000 -11.838 -11.200) 16.296 6.040 ( -0.000 26.256 10.819) 28.397 6.645 ( -0.000 9.466 7.492) 12.072 7.260 ( 0.000 -13.033 -7.296) 14.936 7.645 ( -0.000 -1.760 4.615) 4.939 8.061 ( 0.000 16.040 -12.524) 20.351 8.542 ( 0.000 -7.408 -1.839) 7.633 9.382 ( 0.000 1.526 -6.354) 6.534 9.468 ( -0.000 21.718 10.755) 24.235 9.665 ( -0.000 -24.347 11.776) 27.045 10.184 ( -0.000 -0.270 5.366) 5.373 11.044 ( 0.000 -1.469 -0.383) 1.518 11.286 ( -0.000 -3.711 0.155) 3.715 11.393 ( 0.000 8.360 -3.280) 8.980 12.957 ( 0.000 -14.019 -5.369) 15.012 20.811 ( 0.000 -5.155 -1.522) 5.375 20.968 ( -0.000 -4.042 1.840) 4.441 21.317 ( -0.000 -2.578 1.038) 2.779 21.353 ( 0.000 2.913 -2.600) 3.904 24.810 ( -0.000 -0.956 1.323) 1.632 24.911 ( -0.000 -0.867 -0.105) 0.874 32.487 ( -0.000 0.139 0.056) 0.150 32.551 ( 0.000 1.280 -0.907) 1.569 43.001 ( 0.000 2.858 -0.685) 2.939 43.986 ( 0.000 7.242 1.143) 7.332 44.906 ( 0.000 11.993 1.294) 12.063 46.257 ( 0.000 8.218 -13.038) 15.412 ======================= Grid point 258 (101/231) ======================= q-point: ( 0.54 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.102 ( 15.466 12.400 -3.303) 20.096 5.220 ( 6.444 -4.415 -2.343) 8.155 5.478 ( 5.390 12.287 18.402) 22.774 5.813 ( -2.316 -11.068 -12.491) 16.849 6.294 ( -4.793 19.852 6.507) 21.434 6.719 ( -4.610 0.332 7.835) 9.096 7.137 ( 3.480 -6.281 -8.370) 11.028 7.630 ( 0.675 -1.527 2.354) 2.886 7.983 ( -18.088 6.484 -8.656) 21.075 8.570 ( 10.291 1.594 -4.292) 11.264 9.294 ( -4.830 1.650 -0.950) 5.192 9.534 ( 1.998 -19.223 10.325) 21.912 9.852 ( 13.200 13.847 4.260) 19.599 10.188 ( -1.191 -1.904 4.850) 5.345 11.021 ( 0.262 -2.700 -1.470) 3.086 11.235 ( -2.424 -2.923 0.065) 3.798 11.447 ( -0.261 6.874 -2.539) 7.333 12.689 ( -14.170 -9.099 -5.750) 17.794 20.778 ( 1.671 -3.207 -0.534) 3.655 20.961 ( 2.178 -3.276 0.824) 4.020 21.275 ( -2.864 -1.577 0.694) 3.342 21.339 ( -3.401 2.132 -1.683) 4.353 24.810 ( 0.303 -0.664 0.968) 1.213 24.901 ( -0.289 -0.494 -0.286) 0.640 32.491 ( 0.280 0.194 0.139) 0.368 32.563 ( 0.535 1.084 -0.716) 1.405 43.115 ( 10.772 1.840 0.156) 10.929 44.031 ( -2.786 5.484 2.701) 6.718 45.068 ( 7.528 7.156 -0.168) 10.388 46.230 ( -5.355 6.870 -7.415) 11.439 ======================= Grid point 259 (102/231) ======================= q-point: ( 0.62 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.352 ( 13.756 -2.453 -1.741) 14.081 5.553 ( 9.955 6.544 3.676) 12.468 5.600 ( 10.173 -7.792 -6.555) 14.394 5.799 ( 12.781 7.072 5.799) 15.716 6.291 ( -10.892 6.064 3.238) 12.880 6.580 ( -12.686 -3.864 5.763) 14.459 7.245 ( 9.937 12.840 -5.921) 17.282 7.459 ( -19.484 -6.180 -6.710) 21.514 7.830 ( 1.656 1.033 4.779) 5.162 8.728 ( 3.596 6.993 -5.944) 9.857 9.257 ( 1.908 -3.781 1.287) 4.427 9.483 ( 4.624 -11.392 7.770) 14.544 10.041 ( -3.880 3.017 -0.812) 4.982 10.233 ( 7.535 -2.373 1.851) 8.114 10.996 ( -0.633 -0.207 0.685) 0.955 11.164 ( -2.764 -2.301 0.543) 3.637 11.491 ( 0.720 3.799 -1.884) 4.301 12.296 ( -21.833 -3.032 -5.756) 22.782 20.800 ( 3.517 -1.441 0.348) 3.817 20.980 ( 2.814 -1.750 -0.149) 3.317 21.209 ( -3.663 -0.851 0.307) 3.773 21.268 ( -6.209 1.441 -0.667) 6.409 24.817 ( 0.653 -0.477 0.599) 1.006 24.890 ( -0.532 -0.125 -0.342) 0.645 32.503 ( 0.929 0.103 0.213) 0.958 32.578 ( 0.355 0.843 -0.464) 1.026 43.368 ( 17.326 0.564 0.284) 17.337 44.033 ( -4.377 4.163 3.482) 6.972 45.273 ( 12.780 1.284 -1.729) 12.960 46.141 ( -10.144 6.418 -1.527) 12.100 ======================= Grid point 260 (103/231) ======================= q-point: (-0.31 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.377 ( 0.318 -15.106 -9.563) 17.882 5.532 ( 5.151 -7.762 -4.356) 10.284 5.747 ( 2.057 0.179 1.268) 2.423 6.170 ( -0.421 11.980 2.739) 12.297 6.306 ( -2.893 -6.514 1.818) 7.355 6.507 ( 25.415 8.997 14.955) 30.830 7.042 ( -21.300 1.685 -4.873) 21.915 7.557 ( 9.747 20.369 -7.104) 23.672 7.893 ( 7.048 -13.406 8.299) 17.270 8.703 ( -9.494 3.433 -4.557) 11.076 9.314 ( 7.703 -2.491 1.388) 8.213 9.561 ( 8.936 -3.609 5.286) 10.992 9.924 ( -10.289 0.832 0.824) 10.355 10.254 ( 0.212 -3.308 -7.193) 7.920 10.994 ( -3.470 -0.479 6.006) 6.953 11.124 ( 1.835 -2.651 -2.553) 4.113 11.521 ( 1.114 0.867 -1.382) 1.975 11.879 ( -22.385 0.059 -4.844) 22.903 20.862 ( 4.569 -0.357 0.594) 4.621 21.019 ( 2.496 0.892 -0.513) 2.700 21.149 ( -2.808 -0.364 -0.174) 2.836 21.163 ( -7.108 0.418 0.340) 7.129 24.828 ( 0.894 -0.435 0.284) 1.034 24.878 ( -0.756 0.170 -0.288) 0.827 32.524 ( 1.482 -0.245 0.167) 1.512 32.583 ( -0.388 0.556 -0.135) 0.691 43.667 ( 18.213 -0.847 -1.248) 18.275 44.006 ( -5.390 2.880 4.761) 7.747 45.493 ( 16.633 -3.288 -3.989) 17.418 46.012 ( -13.528 6.832 4.046) 15.686 ======================= Grid point 261 (104/231) ======================= q-point: (-0.23 -0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.187 ( -6.987 -9.629 -0.655) 11.915 5.287 ( -5.081 -16.372 -10.079) 19.886 5.907 ( 4.483 -0.472 -0.122) 4.509 5.991 ( -4.836 -4.313 -4.777) 8.050 6.473 ( 6.732 10.436 10.257) 16.107 6.773 ( -11.953 9.201 -2.516) 15.293 7.220 ( 31.698 7.043 12.588) 34.825 7.792 ( 2.574 10.474 -8.997) 14.045 7.921 ( 9.475 -14.105 10.266) 19.853 8.457 ( -17.137 -1.176 -5.505) 18.038 9.433 ( 8.030 -5.675 0.815) 9.867 9.733 ( -0.741 8.470 1.540) 8.641 9.769 ( -0.447 -2.745 3.765) 4.681 10.183 ( -2.633 6.431 -10.276) 12.405 10.904 ( -10.299 -2.115 10.019) 14.523 11.097 ( 1.976 -6.862 -9.685) 12.034 11.525 ( -0.041 -1.550 -1.074) 1.886 11.568 ( -11.427 0.018 -0.434) 11.435 20.938 ( 4.310 -0.639 0.228) 4.363 21.043 ( -5.505 1.640 -0.468) 5.763 21.081 ( 1.020 0.670 1.195) 1.708 21.118 ( -0.537 1.091 -0.595) 1.353 24.840 ( 0.984 -0.476 0.066) 1.095 24.865 ( -0.965 0.382 -0.162) 1.050 32.545 ( 1.583 -0.810 -0.053) 1.779 32.574 ( -1.235 0.267 0.190) 1.277 43.892 ( 9.224 -3.372 -0.894) 9.861 43.977 ( -1.433 2.579 2.627) 3.950 45.711 ( 16.392 -5.439 -4.356) 17.812 45.885 ( -12.462 7.950 6.634) 16.202 ======================= Grid point 262 (105/231) ======================= q-point: (-0.15 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.893 ( -24.669 2.155 12.419) 27.702 5.129 ( 12.115 -19.223 -17.433) 28.639 5.805 ( -3.493 -4.593 7.947) 9.821 5.944 ( -4.745 -1.277 -9.665) 10.843 6.746 ( 0.435 17.360 8.059) 19.145 6.832 ( 14.805 5.488 -3.221) 16.114 7.694 ( 8.911 2.775 10.274) 13.880 7.798 ( 1.614 -7.146 2.277) 7.672 8.006 ( 5.156 -3.935 0.941) 6.554 8.131 ( -13.739 1.976 -10.388) 17.338 9.426 ( -1.511 -11.529 6.187) 13.171 9.533 ( -9.901 -4.374 -7.503) 13.170 10.083 ( 17.564 7.885 7.068) 20.509 10.221 ( -0.638 17.644 -10.507) 20.546 10.753 ( -11.569 -2.052 14.719) 18.834 10.975 ( 1.258 -8.281 -13.548) 15.928 11.459 ( -1.719 -2.608 3.184) 4.460 11.503 ( -1.010 -1.893 -2.547) 3.330 20.956 ( -3.748 -1.394 0.891) 4.097 20.967 ( 1.201 -3.400 -0.640) 3.662 21.144 ( 1.212 4.651 0.712) 4.859 21.157 ( 3.516 3.281 -0.843) 4.882 24.851 ( -0.299 0.129 0.063) 0.332 24.852 ( 0.155 -0.113 -0.080) 0.208 32.551 ( -1.748 0.070 0.407) 1.796 32.558 ( 1.226 -1.352 -0.410) 1.871 43.888 ( -5.173 -0.203 8.753) 10.169 44.032 ( 5.467 -2.739 -9.429) 11.238 45.751 ( -12.805 7.914 14.054) 20.594 45.954 ( 16.515 -3.998 -11.617) 20.583 ======================= Grid point 263 (106/231) ======================= q-point: (-0.08 0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.590 ( -26.456 8.031 15.700) 31.795 5.040 ( 0.557 -10.065 -13.627) 16.950 5.690 ( -8.631 -2.729 -5.842) 10.774 5.919 ( 12.207 -7.580 8.017) 16.454 6.851 ( -10.718 19.559 0.314) 22.305 7.222 ( 17.402 7.589 -1.103) 19.017 7.648 ( -5.777 -0.176 -6.299) 8.549 7.798 ( 4.302 -7.886 11.917) 14.923 7.964 ( -5.776 4.772 -10.308) 12.743 8.094 ( 6.572 -2.535 1.520) 7.206 9.155 ( -17.497 -5.601 -2.371) 18.524 9.411 ( 6.744 -20.098 5.200) 21.828 10.270 ( -8.259 18.984 -2.466) 20.849 10.474 ( 8.317 3.725 4.488) 10.158 10.717 ( 2.628 0.462 8.625) 9.028 10.894 ( 8.448 -8.335 -7.463) 14.019 11.422 ( -3.750 -1.868 -2.935) 5.115 11.464 ( 2.327 -0.757 0.194) 2.455 20.893 ( -2.327 -2.235 0.184) 3.232 20.945 ( 2.094 -4.801 -0.182) 5.241 21.196 ( -0.896 5.490 0.442) 5.580 21.274 ( 6.256 3.101 -0.839) 7.033 24.839 ( -1.182 0.641 0.246) 1.366 24.863 ( 0.987 -0.531 0.007) 1.121 32.524 ( -1.757 0.074 0.433) 1.810 32.557 ( 0.719 -1.529 -0.757) 1.851 43.851 ( -5.905 2.008 9.133) 11.059 43.982 ( -0.160 -4.495 -10.716) 11.621 45.697 ( -14.081 11.277 15.616) 23.860 46.096 ( 14.257 -5.677 -16.927) 22.847 ======================= Grid point 271 (107/231) ======================= q-point: ( 0.54 0.54 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.021 ( 0.000 8.250 -3.875) 9.115 5.109 ( -0.000 -1.280 1.555) 2.014 5.579 ( 0.000 -17.066 -14.047) 22.103 5.751 ( -0.000 15.872 18.887) 24.671 6.529 ( -0.000 6.858 1.740) 7.075 6.796 ( -0.000 -0.414 7.677) 7.688 6.991 ( 0.000 -3.556 -3.383) 4.908 7.619 ( 0.000 -2.569 -1.026) 2.766 8.297 ( 0.000 20.651 -10.798) 23.304 8.372 ( -0.000 -4.759 -0.928) 4.849 9.318 ( -0.000 -22.189 12.453) 25.445 9.395 ( 0.000 3.685 -4.766) 6.025 9.871 ( -0.000 5.931 3.121) 6.702 10.208 ( -0.000 -1.834 3.629) 4.067 10.987 ( 0.000 -1.194 -0.809) 1.443 11.233 ( 0.000 -0.893 -1.158) 1.463 11.499 ( 0.000 4.741 -1.602) 5.005 12.700 ( 0.000 -4.621 -7.907) 9.159 20.740 ( -0.000 -1.294 -0.114) 1.299 20.921 ( -0.000 -2.157 0.552) 2.227 21.287 ( -0.000 -1.431 0.572) 1.541 21.381 ( 0.000 2.144 -1.186) 2.450 24.806 ( -0.000 -0.680 0.755) 1.016 24.899 ( 0.000 -0.174 -0.371) 0.410 32.490 ( -0.000 0.057 0.114) 0.127 32.564 ( 0.000 0.848 -0.466) 0.968 43.044 ( -0.000 1.390 1.212) 1.844 44.114 ( -0.000 1.997 6.306) 6.615 45.049 ( 0.000 3.696 -3.817) 5.314 46.317 ( 0.000 6.909 -1.827) 7.146 ======================= Grid point 272 (108/231) ======================= q-point: (-0.38 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.144 ( 7.338 2.520 -0.964) 7.818 5.303 ( 4.300 -16.961 -12.271) 21.372 5.325 ( 15.430 6.172 0.897) 16.643 5.958 ( -3.766 8.312 17.828) 20.028 6.440 ( -3.520 -7.261 -6.011) 10.062 6.743 ( -8.469 -2.929 6.527) 11.087 7.109 ( 10.370 5.331 1.210) 11.723 7.569 ( -2.709 -1.534 -4.044) 5.103 8.071 ( -19.687 6.335 0.552) 20.689 8.651 ( 11.658 11.679 -5.367) 17.353 9.211 ( 1.442 -12.121 9.575) 15.514 9.373 ( -0.955 -1.563 -2.375) 2.999 9.963 ( 10.987 -7.218 -5.063) 14.087 10.178 ( -3.208 -2.261 3.234) 5.085 11.002 ( 0.806 2.118 1.409) 2.669 11.201 ( -2.681 -0.162 -1.078) 2.894 11.517 ( -0.827 2.139 -0.961) 2.486 12.537 ( -12.549 2.007 -9.020) 15.584 20.753 ( 1.729 0.599 0.610) 1.929 20.926 ( 2.158 -0.725 -0.164) 2.283 21.256 ( -2.521 -0.678 0.162) 2.616 21.364 ( -3.714 1.499 -0.268) 4.014 24.806 ( 0.381 -0.646 0.467) 0.884 24.894 ( -0.249 0.130 -0.402) 0.491 32.493 ( 0.342 -0.099 0.131) 0.379 32.575 ( 0.536 0.584 -0.199) 0.817 43.147 ( 9.957 0.347 1.823) 10.128 44.139 ( -2.309 -0.146 7.865) 8.198 45.091 ( 6.669 -1.392 -5.775) 8.931 46.342 ( -5.547 6.956 3.405) 9.526 ======================= Grid point 273 (109/231) ======================= q-point: (-0.31 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.014 ( 3.375 -24.276 -21.449) 32.570 5.328 ( 11.547 1.086 -0.392) 11.605 5.828 ( 3.280 -4.016 7.003) 8.713 5.949 ( 16.342 5.951 7.411) 18.905 6.347 ( -3.850 -2.576 -1.450) 4.854 6.615 ( -7.161 2.914 13.915) 15.918 7.267 ( -1.061 -0.525 -5.593) 5.717 7.526 ( 3.463 9.072 -2.838) 10.116 7.863 ( -10.958 -1.595 7.648) 13.458 8.804 ( -1.058 3.341 -3.484) 4.941 9.248 ( 3.807 2.468 4.115) 6.126 9.372 ( 7.069 -6.057 0.293) 9.314 10.019 ( 9.376 -8.494 -10.451) 16.410 10.118 ( -3.306 0.483 3.790) 5.052 11.040 ( 0.073 0.790 1.320) 1.540 11.134 ( -4.589 0.136 -0.514) 4.619 11.511 ( -0.234 -0.466 -0.614) 0.806 12.236 ( -22.001 5.085 -9.214) 24.389 20.807 ( 2.945 1.567 0.810) 3.433 20.978 ( 3.627 1.882 -0.254) 4.094 21.200 ( -3.594 -0.127 -0.331) 3.611 21.288 ( -6.607 0.624 0.570) 6.661 24.810 ( 0.723 -0.636 0.175) 0.979 24.889 ( -0.470 0.357 -0.376) 0.700 32.502 ( 0.857 -0.407 0.111) 0.955 32.587 ( 0.365 0.308 0.116) 0.491 43.373 ( 15.700 -0.777 0.901) 15.745 44.123 ( -3.604 -1.528 8.697) 9.537 45.182 ( 12.303 -5.494 -6.750) 15.070 46.305 ( -10.134 6.783 7.659) 14.400 ======================= Grid point 274 (110/231) ======================= q-point: (-0.23 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.747 ( 7.898 -26.569 -21.312) 34.964 5.396 ( -1.574 -14.388 0.945) 14.505 5.743 ( 7.069 1.859 -1.091) 7.390 6.097 ( -13.277 -6.187 -2.209) 14.814 6.471 ( 10.799 7.916 6.557) 14.909 6.892 ( 23.057 9.152 20.965) 32.480 7.123 ( -12.444 9.749 -4.029) 16.313 7.704 ( 4.960 -4.593 -4.770) 8.274 7.773 ( 2.824 0.009 10.333) 10.712 8.656 ( -12.240 -4.024 -4.624) 13.689 9.326 ( 1.660 -1.855 -2.784) 3.735 9.522 ( 15.467 -3.203 6.149) 16.950 9.961 ( -4.032 -2.422 -6.510) 8.031 10.206 ( 3.669 13.453 -0.858) 13.971 10.993 ( -2.122 -5.008 -5.869) 8.002 11.070 ( -5.739 2.112 4.492) 7.588 11.496 ( 0.374 -2.259 -0.610) 2.370 11.839 ( -23.048 1.781 -7.414) 24.277 20.882 ( 3.321 1.807 0.429) 3.805 21.068 ( 2.955 4.007 0.291) 4.987 21.142 ( -2.802 0.095 -0.707) 2.891 21.176 ( -7.151 0.345 0.998) 7.229 24.819 ( 0.950 -0.663 -0.060) 1.160 24.882 ( -0.672 0.492 -0.297) 0.884 32.513 ( 1.193 -0.871 -0.010) 1.477 32.591 ( -0.386 0.029 0.445) 0.589 43.622 ( 15.357 -2.272 -1.639) 15.611 44.085 ( -4.167 -2.400 9.067) 10.263 45.327 ( 16.970 -7.015 -7.518) 19.842 46.225 ( -12.704 6.747 10.874) 18.033 ======================= Grid point 275 (111/231) ======================= q-point: (-0.15 -0.46 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.584 ( 15.283 -24.521 -18.704) 34.419 5.190 ( -5.350 -14.362 7.190) 16.929 5.819 ( -10.222 -4.695 -0.013) 11.248 5.941 ( 6.336 6.047 -4.361) 9.784 6.624 ( 5.091 1.551 1.433) 5.512 7.090 ( -5.490 16.254 2.183) 17.295 7.515 ( 23.573 6.130 16.667) 29.514 7.665 ( 3.270 -7.699 7.254) 11.072 7.899 ( 5.092 -0.951 -3.362) 6.175 8.335 ( -16.343 -3.208 -7.804) 18.392 9.262 ( 1.692 -13.063 -0.965) 13.207 9.761 ( -11.141 -1.142 -5.313) 12.396 9.866 ( 16.998 3.625 5.607) 18.262 10.394 ( -1.440 19.908 -3.311) 20.233 10.835 ( -4.202 -6.440 -9.652) 12.340 11.005 ( -9.448 4.302 5.523) 11.759 11.472 ( -0.488 -2.501 -0.584) 2.614 11.521 ( -8.600 -3.748 -1.655) 9.526 20.928 ( 0.327 -0.407 -0.352) 0.630 21.044 ( -6.246 -1.221 1.194) 6.475 21.117 ( 1.462 1.956 -0.480) 2.489 21.192 ( 1.645 6.427 0.490) 6.652 24.828 ( 1.073 -0.694 -0.204) 1.294 24.873 ( -0.844 0.559 -0.174) 1.027 32.522 ( 1.172 -1.323 -0.217) 1.781 32.579 ( -1.218 -0.173 0.686) 1.409 43.794 ( 10.516 -4.000 -3.910) 11.911 44.035 ( -4.347 -2.633 7.941) 9.428 45.521 ( 19.060 -6.701 -9.710) 22.415 46.142 ( -12.931 7.662 13.739) 20.363 ======================= Grid point 285 (112/231) ======================= q-point: (-0.38 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( 0.000 -23.820 -22.603) 32.838 5.178 ( -0.000 7.454 5.178) 9.076 5.281 ( -0.000 8.653 12.097) 14.873 6.176 ( -0.000 6.016 18.047) 19.024 6.239 ( 0.000 -19.544 -13.756) 23.900 6.820 ( -0.000 -5.800 8.659) 10.422 7.101 ( 0.000 9.082 -0.198) 9.085 7.547 ( 0.000 -1.349 -4.671) 4.862 8.421 ( -0.000 7.902 2.264) 8.220 8.541 ( 0.000 6.202 0.733) 6.245 9.147 ( -0.000 -2.686 5.203) 5.856 9.386 ( 0.000 0.821 -5.140) 5.205 9.672 ( 0.000 -19.448 -9.204) 21.516 10.203 ( -0.000 -2.189 3.613) 4.224 11.028 ( -0.000 2.379 1.471) 2.797 11.221 ( 0.000 1.054 -1.996) 2.257 11.532 ( -0.000 -0.617 0.338) 0.703 12.651 ( 0.000 10.022 -10.708) 14.666 20.762 ( -0.000 2.985 1.289) 3.251 20.900 ( 0.000 0.110 -0.795) 0.802 21.275 ( 0.000 0.028 -0.218) 0.220 21.409 ( -0.000 1.049 0.559) 1.189 24.798 ( -0.000 -0.710 0.250) 0.753 24.897 ( 0.000 0.351 -0.474) 0.590 32.490 ( -0.000 -0.180 0.088) 0.200 32.573 ( -0.000 0.277 0.081) 0.288 43.076 ( -0.000 -0.598 3.322) 3.375 44.186 ( -0.000 -3.682 10.537) 11.161 44.970 ( 0.000 -4.855 -8.141) 9.479 46.483 ( -0.000 6.803 7.533) 10.150 ======================= Grid point 286 (113/231) ======================= q-point: (-0.31 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.620 ( 0.872 -26.830 -23.372) 35.593 5.244 ( 0.682 0.506 4.588) 4.666 5.585 ( 17.301 -2.489 5.784) 18.411 5.949 ( -4.530 -5.288 1.176) 7.061 6.348 ( 3.780 0.693 9.362) 10.120 6.774 ( -3.045 -4.426 10.747) 12.015 7.219 ( 3.379 8.102 -4.655) 9.936 7.490 ( -1.222 -2.609 -4.433) 5.287 8.244 ( -19.713 6.629 7.057) 21.962 8.720 ( 9.006 -8.006 2.619) 12.331 9.197 ( 1.535 -0.146 -2.823) 3.217 9.323 ( -1.404 3.738 -3.734) 5.467 9.619 ( 16.163 -9.688 -10.225) 21.440 10.197 ( -0.795 -0.315 5.438) 5.505 11.040 ( -0.304 -1.232 -0.995) 1.613 11.203 ( -2.213 1.885 -1.842) 3.442 11.508 ( -0.996 -2.974 1.159) 3.344 12.593 ( -15.205 14.498 -11.311) 23.860 20.810 ( 0.550 4.017 1.397) 4.288 20.935 ( 3.632 2.434 -0.758) 4.437 21.254 ( -2.669 0.665 -0.667) 2.830 21.387 ( -3.971 0.291 1.355) 4.206 24.795 ( 0.402 -0.713 -0.015) 0.819 24.896 ( -0.213 0.494 -0.530) 0.755 32.490 ( 0.217 -0.309 0.067) 0.384 32.581 ( 0.571 -0.022 0.372) 0.682 43.163 ( 9.130 -1.626 3.431) 9.888 44.183 ( -1.589 -5.844 11.621) 13.104 44.918 ( 6.701 -8.095 -8.795) 13.703 46.546 ( -5.564 6.070 10.767) 13.555 ======================= Grid point 287 (114/231) ======================= q-point: (-0.23 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 3.961 -29.429 -22.935) 37.520 5.151 ( 2.615 -26.548 -5.705) 27.280 5.669 ( 4.868 0.391 2.971) 5.716 6.136 ( 6.771 1.133 2.372) 7.263 6.459 ( 3.018 6.681 13.691) 15.530 6.843 ( 6.601 3.641 17.405) 18.968 7.228 ( -2.741 0.566 -7.429) 7.939 7.487 ( 7.393 -4.593 -5.222) 10.150 8.062 ( -16.565 10.852 10.973) 22.641 8.685 ( -0.141 -12.761 -4.243) 13.449 9.136 ( 5.362 -14.225 -5.547) 16.182 9.421 ( 4.040 9.586 2.551) 10.711 9.787 ( 10.863 -0.421 -11.586) 15.888 10.304 ( 5.339 10.647 9.018) 14.940 10.962 ( -3.086 -5.082 -6.136) 8.544 11.188 ( -2.163 3.799 1.185) 4.529 11.466 ( -0.403 -4.388 1.569) 4.678 12.292 ( -28.913 11.733 -11.551) 33.273 20.872 ( 1.596 4.222 0.821) 4.588 21.049 ( 5.046 5.407 0.174) 7.398 21.196 ( -4.187 0.370 -0.911) 4.301 21.303 ( -6.813 -0.134 1.580) 6.995 24.797 ( 0.736 -0.719 -0.261) 1.062 24.893 ( -0.396 0.543 -0.537) 0.861 32.492 ( 0.504 -0.559 0.028) 0.753 32.591 ( 0.419 -0.304 0.668) 0.845 43.353 ( 13.719 -2.531 1.365) 14.017 44.148 ( -2.380 -7.079 11.784) 13.951 44.954 ( 13.359 -9.429 -8.843) 18.590 46.532 ( -9.737 5.281 13.343) 17.342 ======================= Grid point 288 (115/231) ======================= q-point: (-0.15 -0.38 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.996 ( 12.223 -28.815 -20.034) 37.163 4.903 ( 7.859 -33.674 -2.464) 34.667 5.838 ( 7.123 8.223 -0.519) 10.891 6.073 ( -10.698 1.353 4.440) 11.662 6.613 ( 1.541 0.392 7.043) 7.221 7.138 ( 3.845 -6.706 -4.944) 9.176 7.299 ( 20.370 10.463 19.634) 30.164 7.516 ( 7.247 -7.738 -5.802) 12.085 8.031 ( -10.345 15.815 9.628) 21.209 8.473 ( -8.401 -6.883 -8.670) 13.897 9.053 ( 4.913 -16.204 -4.279) 17.465 9.658 ( 11.965 7.078 4.410) 14.584 9.799 ( 0.224 -2.714 -9.598) 9.977 10.564 ( 0.759 14.086 0.690) 14.123 10.817 ( -1.750 -7.022 -1.983) 7.503 11.236 ( -2.134 10.927 5.544) 12.438 11.436 ( 1.049 -3.614 0.678) 3.824 11.788 ( -31.373 3.846 -10.478) 33.300 20.938 ( 0.375 3.586 0.194) 3.610 21.108 ( -3.681 -1.180 0.960) 3.983 21.176 ( -2.904 2.971 -0.181) 4.158 21.221 ( 0.462 5.244 0.627) 5.302 24.802 ( 0.980 -0.753 -0.433) 1.310 24.888 ( -0.548 0.521 -0.468) 0.889 32.495 ( 0.662 -0.848 -0.050) 1.077 32.593 ( -0.304 -0.539 0.903) 1.095 43.546 ( 12.574 -3.597 -2.285) 13.276 44.094 ( -2.651 -7.583 11.119) 13.718 45.085 ( 18.334 -8.769 -9.998) 22.649 46.481 ( -11.145 5.553 15.871) 20.173 ======================= Grid point 299 (116/231) ======================= q-point: (-0.31 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.225 ( 0.000 -29.390 -23.399) 37.567 5.202 ( 0.000 -29.347 -11.457) 31.504 5.391 ( -0.000 4.171 12.569) 13.243 6.047 ( -0.000 12.368 8.593) 15.060 6.347 ( -0.000 -4.289 11.212) 12.004 6.757 ( -0.000 -10.998 11.552) 15.950 7.267 ( 0.000 12.637 -8.170) 15.048 7.510 ( 0.000 2.110 -0.649) 2.208 8.375 ( -0.000 -29.007 4.256) 29.318 8.602 ( -0.000 6.032 1.957) 6.342 9.178 ( 0.000 -5.784 -6.705) 8.855 9.356 ( 0.000 3.836 -6.754) 7.767 9.392 ( 0.000 14.530 -3.532) 14.953 10.211 ( -0.000 -2.229 6.784) 7.141 11.012 ( 0.000 -3.699 -2.540) 4.487 11.219 ( 0.000 1.515 -3.915) 4.198 11.488 ( -0.000 -5.055 2.097) 5.473 12.845 ( 0.000 21.338 -11.747) 24.358 20.875 ( -0.000 6.603 2.439) 7.039 20.911 ( 0.000 2.540 -1.758) 3.089 21.284 ( 0.000 1.676 -1.130) 2.022 21.431 ( -0.000 -0.408 2.289) 2.325 24.784 ( 0.000 -0.678 -0.295) 0.739 24.900 ( 0.000 0.556 -0.704) 0.897 32.487 ( -0.000 -0.133 0.033) 0.137 32.576 ( -0.000 -0.367 0.617) 0.718 43.087 ( -0.000 -2.851 5.022) 5.775 44.188 ( -0.000 -8.994 13.121) 15.908 44.723 ( 0.000 -10.685 -9.663) 14.407 46.708 ( -0.000 4.913 13.396) 14.268 ======================= Grid point 300 (117/231) ======================= q-point: (-0.23 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 0.754 -31.789 -22.868) 39.167 4.771 ( -0.746 -39.207 -13.394) 41.439 5.592 ( 10.805 1.331 11.112) 15.556 6.128 ( -4.356 1.484 6.156) 7.685 6.483 ( 9.540 2.754 10.205) 14.239 6.769 ( 6.995 -9.378 12.570) 17.172 7.311 ( -6.015 8.670 -7.776) 13.108 7.437 ( -6.382 -0.777 2.327) 6.837 8.216 ( 13.006 -23.016 -3.339) 26.647 8.546 ( -10.462 3.838 1.493) 11.244 9.050 ( -5.469 -3.484 0.544) 6.507 9.454 ( 4.917 7.018 -3.429) 9.230 9.606 ( 7.894 13.132 -8.519) 17.531 10.300 ( 7.748 2.630 10.461) 13.281 10.931 ( -2.508 -4.778 -6.023) 8.087 11.215 ( 0.787 1.618 -3.473) 3.911 11.438 ( -0.685 -6.084 2.694) 6.689 12.824 ( -20.794 21.443 -11.950) 32.171 20.915 ( -0.394 5.483 0.294) 5.505 21.016 ( 5.146 6.346 0.619) 8.194 21.268 ( -3.415 1.850 -1.292) 4.093 21.402 ( -4.079 -0.962 2.643) 4.954 24.779 ( 0.384 -0.623 -0.609) 0.952 24.900 ( -0.167 0.530 -0.820) 0.991 32.486 ( -0.039 -0.064 0.026) 0.079 32.581 ( 0.631 -0.660 0.835) 1.237 43.153 ( 8.223 -3.644 4.370) 9.999 44.153 ( -0.877 -10.849 13.315) 17.198 44.626 ( 7.723 -12.024 -9.606) 17.219 46.777 ( -5.426 3.657 15.654) 16.966 ======================= Grid point 301 (118/231) ======================= q-point: (-0.15 -0.31 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( 6.423 -32.631 -21.020) 39.343 4.370 ( 7.810 -42.942 -7.276) 44.248 5.848 ( 7.255 7.284 9.024) 13.680 6.100 ( 4.779 -7.724 1.561) 9.216 6.641 ( 2.278 -0.120 6.472) 6.862 6.850 ( 7.506 -19.357 -1.042) 20.788 7.280 ( 3.153 7.540 14.593) 16.726 7.391 ( -0.565 -1.741 -6.191) 6.456 8.249 ( 11.822 -10.035 -11.744) 19.453 8.450 ( -10.921 12.179 6.735) 17.691 8.941 ( -5.215 -2.899 2.531) 6.482 9.614 ( 6.540 8.673 -2.111) 11.065 9.708 ( 1.995 2.230 -7.917) 8.464 10.598 ( 11.783 5.657 10.426) 16.719 10.776 ( -6.031 -3.927 -9.015) 11.535 11.275 ( 5.671 3.809 0.070) 6.832 11.391 ( 0.175 -5.772 3.352) 6.677 12.456 ( -37.665 18.321 -10.520) 43.186 20.981 ( 0.601 6.298 0.605) 6.355 21.178 ( 5.249 7.120 0.749) 8.878 21.190 ( -5.735 -0.372 -0.436) 5.764 21.321 ( -5.847 0.658 1.372) 6.042 24.778 ( 0.710 -0.653 -0.846) 1.283 24.896 ( -0.290 0.437 -0.809) 0.964 32.485 ( 0.016 -0.120 0.034) 0.126 32.589 ( 0.504 -0.906 1.002) 1.442 43.303 ( 11.538 -4.012 0.896) 12.249 44.094 ( -1.166 -11.697 12.472) 17.139 44.657 ( 15.297 -11.276 -9.756) 21.362 46.775 ( -8.604 3.344 17.815) 20.065 ======================= Grid point 313 (119/231) ======================= q-point: (-0.23 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.387 ( 0.000 -33.923 -21.193) 39.999 4.294 ( 0.000 -43.724 -19.620) 47.924 5.479 ( -0.000 -16.409 13.364) 21.163 6.238 ( -0.000 -14.915 10.795) 18.412 6.404 ( 0.000 12.564 0.664) 12.582 6.702 ( -0.000 -7.778 13.739) 15.787 7.377 ( 0.000 7.367 -12.537) 14.541 7.682 ( -0.000 10.079 14.764) 17.876 7.696 ( 0.000 -29.312 -12.104) 31.713 8.688 ( -0.000 2.950 2.655) 3.969 9.150 ( -0.000 -1.264 10.682) 10.756 9.406 ( 0.000 10.214 -11.284) 15.220 9.686 ( 0.000 17.661 -7.648) 19.246 10.279 ( -0.000 -0.326 12.149) 12.153 10.886 ( 0.000 -3.208 -5.259) 6.161 11.185 ( 0.000 -0.382 -5.173) 5.187 11.395 ( -0.000 -6.350 1.369) 6.496 13.175 ( 0.000 25.180 -12.149) 27.958 20.961 ( 0.000 4.686 -2.130) 5.148 21.052 ( -0.000 8.618 2.980) 9.119 21.316 ( 0.000 3.204 -1.826) 3.688 21.439 ( -0.000 -2.019 3.756) 4.264 24.766 ( 0.000 -0.457 -1.095) 1.186 24.901 ( 0.000 0.449 -1.035) 1.128 32.489 ( 0.000 0.397 0.008) 0.397 32.571 ( -0.000 -0.986 0.947) 1.367 43.070 ( -0.000 -4.766 5.944) 7.619 44.113 ( -0.000 -13.256 13.584) 18.980 44.385 ( 0.000 -13.724 -9.691) 16.800 46.937 ( -0.000 2.101 17.911) 18.034 ======================= Grid point 314 (120/231) ======================= q-point: (-0.15 -0.23 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 0.870 -35.496 -20.246) 40.873 3.783 ( 3.937 -47.237 -14.223) 49.489 5.464 ( 22.885 -36.253 6.526) 43.366 6.118 ( -6.743 -2.177 11.008) 13.091 6.539 ( 4.031 0.760 -6.685) 7.843 6.719 ( 1.339 -7.135 13.047) 14.930 7.330 ( -0.393 -1.651 -11.782) 11.904 7.370 ( -2.124 -11.221 -1.466) 11.514 7.978 ( 8.682 9.060 6.161) 13.979 8.712 ( -3.995 7.811 5.884) 10.564 9.110 ( -8.697 2.890 8.619) 12.581 9.527 ( 7.496 8.107 -9.953) 14.866 9.751 ( -3.349 8.517 -6.521) 11.237 10.469 ( 11.485 0.943 12.745) 17.183 10.817 ( -3.514 1.955 -6.436) 7.589 11.186 ( 4.660 -0.977 -2.794) 5.520 11.341 ( 0.441 -5.844 0.278) 5.867 13.141 ( -24.683 23.784 -10.945) 35.983 21.023 ( 2.300 6.450 -1.022) 6.924 21.172 ( 2.839 7.785 1.675) 8.454 21.295 ( -5.079 1.958 -0.628) 5.479 21.409 ( -3.282 -0.958 2.888) 4.475 24.758 ( 0.340 -0.419 -1.530) 1.622 24.898 ( -0.103 0.318 -1.069) 1.120 32.491 ( -0.348 0.616 0.036) 0.709 32.573 ( 0.703 -1.199 0.986) 1.704 43.115 ( 7.080 -4.947 4.270) 9.635 44.045 ( -0.348 -14.411 12.651) 19.179 44.281 ( 9.314 -13.368 -9.327) 18.774 47.008 ( -4.807 1.356 20.008) 20.622 ======================= Grid point 327 (121/231) ======================= q-point: (-0.15 -0.15 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 0.000 -37.235 -17.371) 41.087 3.197 ( 0.000 -48.439 -21.093) 52.832 4.776 ( -0.000 -64.207 6.395) 64.525 6.234 ( -0.000 -2.367 17.022) 17.186 6.515 ( 0.000 5.873 -8.916) 10.676 6.714 ( -0.000 -4.769 10.303) 11.353 7.188 ( 0.000 -10.464 -12.449) 16.263 7.211 ( 0.000 -11.093 -10.892) 15.546 8.157 ( -0.000 18.323 17.533) 25.361 8.839 ( -0.000 6.800 7.680) 10.258 9.263 ( -0.000 -0.243 11.615) 11.618 9.484 ( 0.000 11.681 -14.114) 18.320 9.832 ( 0.000 6.019 -8.499) 10.414 10.458 ( -0.000 4.052 15.388) 15.913 10.857 ( 0.000 5.143 -2.292) 5.631 11.103 ( 0.000 -3.086 -3.507) 4.672 11.271 ( 0.000 -5.595 -3.929) 6.837 13.531 ( 0.000 24.892 -12.245) 27.741 21.042 ( 0.000 5.942 -1.939) 6.250 21.243 ( -0.000 7.581 2.225) 7.901 21.366 ( 0.000 4.065 -2.065) 4.559 21.437 ( -0.000 -2.343 5.099) 5.612 24.743 ( 0.000 -0.240 -2.325) 2.337 24.895 ( 0.000 0.182 -1.111) 1.126 32.504 ( 0.000 1.156 0.015) 1.157 32.558 ( -0.000 -1.413 0.890) 1.669 43.032 ( -0.000 -5.585 5.971) 8.176 43.967 ( -0.000 -15.631 11.815) 19.594 44.021 ( 0.000 -13.792 -8.822) 16.372 47.163 ( -0.000 0.239 22.185) 22.187 ======================= Grid point 370 (122/231) ======================= q-point: ( 0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -0.000 -0.000 42.470) 42.470 1.329 ( -0.000 0.000 42.470) 42.470 1.980 ( -0.000 -0.000 64.394) 64.394 6.051 ( 0.000 -0.000 -16.962) 16.962 6.051 ( 0.000 0.000 -16.962) 16.962 6.785 ( -0.000 -0.000 11.534) 11.534 6.785 ( -0.000 -0.000 11.534) 11.534 8.095 ( -0.000 -0.000 4.563) 4.563 8.839 ( 0.000 0.000 -9.083) 9.083 9.004 ( 0.000 -0.000 -10.103) 10.103 9.004 ( 0.000 0.000 -10.103) 10.103 9.948 ( -0.000 -0.000 9.553) 9.553 9.948 ( -0.000 -0.000 9.553) 9.553 10.070 ( 0.000 0.000 -30.064) 30.064 10.898 ( 0.000 0.000 -1.240) 1.240 10.898 ( 0.000 -0.000 -1.240) 1.240 11.694 ( -0.000 -0.000 22.051) 22.051 13.836 ( 0.000 0.000 -4.766) 4.766 21.276 ( 0.000 -0.000 0.757) 0.757 21.276 ( 0.000 0.000 0.757) 0.757 21.483 ( 0.000 -0.000 -0.855) 0.855 21.483 ( 0.000 -0.000 -0.855) 0.855 24.946 ( -0.000 -0.000 3.517) 3.517 25.515 ( 0.000 0.000 -4.172) 4.172 32.510 ( -0.000 -0.000 0.265) 0.265 32.565 ( 0.000 0.000 -0.278) 0.278 42.938 ( 0.000 -0.000 1.999) 1.999 42.938 ( 0.000 0.000 1.999) 1.999 43.429 ( 0.000 0.000 -2.093) 2.093 43.429 ( -0.000 -0.000 -2.093) 2.093 ======================= Grid point 371 (123/231) ======================= q-point: ( 0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 10.506 6.066 33.883) 35.989 1.758 ( 8.448 4.877 43.929) 44.999 3.052 ( 54.617 31.533 48.215) 79.385 5.885 ( 0.876 0.506 -22.497) 22.520 6.179 ( 11.823 6.826 -14.825) 20.154 6.741 ( -5.336 -3.081 10.305) 12.007 6.862 ( -2.708 -1.563 13.170) 13.536 7.830 ( -13.550 -7.823 17.106) 23.182 8.741 ( -5.550 -3.204 -9.439) 11.408 8.885 ( -5.232 -3.020 -15.651) 16.776 9.009 ( 4.812 2.778 -12.935) 14.078 9.912 ( -0.721 -0.416 -11.223) 11.254 9.979 ( -1.286 -0.742 8.800) 8.924 10.107 ( 8.108 4.681 -2.918) 9.806 10.958 ( 3.965 2.289 -0.474) 4.603 11.051 ( 10.697 6.176 -4.734) 13.228 11.735 ( -6.251 -3.609 20.736) 21.956 13.688 ( -14.493 -8.368 -8.747) 18.884 21.221 ( -4.079 -2.355 0.328) 4.721 21.313 ( 2.340 1.351 0.938) 2.861 21.422 ( -3.371 -1.946 -1.735) 4.262 21.510 ( 0.604 0.349 -1.555) 1.705 24.959 ( -0.479 -0.277 3.517) 3.561 25.212 ( -17.183 -9.920 6.135) 20.768 32.499 ( -0.420 -0.242 -0.040) 0.486 32.552 ( -0.994 -0.574 -0.319) 1.191 43.081 ( 7.171 4.140 5.136) 9.744 43.330 ( -0.835 -0.482 -6.017) 6.094 43.654 ( 15.061 8.695 1.086) 17.425 44.135 ( 78.321 45.219 -51.526) 104.086 ======================= Grid point 372 (124/231) ======================= q-point: ( 0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 27.049 15.617 20.435) 37.325 2.280 ( 19.804 11.434 35.515) 42.240 4.517 ( 55.489 32.036 36.173) 73.578 5.827 ( 4.689 2.707 -25.024) 25.603 6.405 ( 13.698 7.908 -10.568) 19.022 6.646 ( -8.148 -4.704 7.718) 12.168 6.857 ( -1.079 -0.623 10.376) 10.450 7.772 ( -2.490 -1.438 16.241) 16.494 8.474 ( -11.507 -6.643 -11.920) 17.850 8.720 ( -2.226 -1.285 -18.214) 18.395 9.058 ( 5.718 3.301 -11.013) 12.840 9.864 ( 1.070 0.618 -9.081) 9.164 9.988 ( -1.992 -1.150 8.164) 8.481 10.285 ( 6.383 3.685 4.958) 8.882 11.060 ( 5.150 2.973 -0.289) 5.954 11.205 ( 4.000 2.310 0.009) 4.619 11.650 ( -9.795 -5.655 17.872) 21.150 13.130 ( -29.378 -16.961 -10.913) 35.635 21.112 ( -5.688 -3.284 0.147) 6.569 21.325 ( -4.239 -2.447 -2.118) 5.333 21.367 ( 1.042 0.602 0.647) 1.367 21.491 ( -0.739 -0.427 -1.929) 2.109 24.960 ( -0.986 -0.570 2.868) 3.086 24.965 ( -8.537 -4.929 5.833) 11.455 32.499 ( 0.588 0.339 -0.839) 1.079 32.522 ( -1.385 -0.800 -0.336) 1.635 43.304 ( 9.796 5.656 8.231) 13.989 43.311 ( 2.504 1.446 -8.731) 9.197 44.080 ( 21.668 12.510 4.401) 25.404 45.186 ( 43.610 25.178 -57.855) 76.700 ======================= Grid point 373 (125/231) ======================= q-point: ( 0.38 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 32.829 18.954 11.348) 39.570 2.960 ( 26.336 15.205 27.860) 41.243 5.753 ( 39.410 22.753 22.436) 50.737 5.845 ( 8.849 5.109 -23.038) 25.202 6.432 ( -14.264 -8.236 4.312) 17.026 6.613 ( 7.592 4.383 0.490) 8.780 7.038 ( 15.540 8.972 6.213) 18.990 7.797 ( -2.067 -1.194 9.690) 9.979 8.191 ( -7.517 -4.340 -13.964) 16.442 8.566 ( -3.666 -2.116 -17.804) 18.301 9.151 ( 6.562 3.789 -8.654) 11.503 9.859 ( 0.727 0.420 -2.069) 2.232 9.974 ( -2.993 -1.728 8.720) 9.380 10.405 ( 1.604 0.926 6.889) 7.134 11.158 ( 3.345 1.931 -2.247) 4.468 11.217 ( -5.047 -2.914 6.995) 9.105 11.529 ( -7.922 -4.574 16.065) 18.487 12.387 ( -29.362 -16.952 -14.286) 36.791 20.985 ( -5.639 -3.256 0.049) 6.512 21.228 ( -3.205 -1.851 -1.775) 4.105 21.320 ( -5.044 -2.912 0.346) 5.834 21.492 ( 1.134 0.655 -1.912) 2.318 24.864 ( -3.370 -1.946 3.366) 5.145 24.946 ( -1.320 -0.762 1.850) 2.397 32.493 ( -0.955 -0.552 -0.236) 1.128 32.512 ( 0.889 0.514 -1.252) 1.619 43.343 ( 4.779 2.759 -10.841) 12.165 43.585 ( 10.826 6.250 11.096) 16.714 44.623 ( 24.248 14.000 7.300) 28.935 45.586 ( 19.916 11.499 -47.397) 52.681 ======================= Grid point 374 (126/231) ======================= q-point: ( 0.46 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.571 ( 33.008 19.057 5.157) 38.462 3.703 ( 28.848 16.655 22.647) 40.280 5.913 ( -3.721 -2.148 -16.346) 16.902 6.179 ( 1.701 0.982 0.802) 2.122 6.323 ( 7.786 4.495 3.912) 9.805 6.833 ( 9.362 5.405 6.778) 12.759 7.559 ( 19.482 11.248 17.274) 28.363 7.826 ( 8.153 4.707 -2.558) 9.756 7.984 ( -5.089 -2.938 -15.518) 16.594 8.368 ( -6.575 -3.796 -15.373) 17.145 9.145 ( -6.776 -3.912 -8.618) 11.640 9.839 ( -5.225 -3.017 8.967) 10.808 10.002 ( 3.326 1.920 10.909) 11.566 10.453 ( 1.893 1.093 0.708) 2.297 11.040 ( -14.142 -8.165 10.757) 19.555 11.146 ( -2.007 -1.159 -6.382) 6.790 11.495 ( -3.866 -2.232 17.380) 17.944 11.818 ( -13.888 -8.018 -14.290) 21.480 20.873 ( -4.307 -2.487 -0.237) 4.979 21.181 ( -0.284 -0.164 -0.705) 0.777 21.186 ( -6.776 -3.912 0.285) 7.830 21.488 ( -0.884 -0.510 -1.992) 2.238 24.834 ( -0.843 -0.487 1.838) 2.080 24.922 ( -1.443 -0.833 0.835) 1.864 32.482 ( 0.002 0.001 0.028) 0.028 32.522 ( 0.583 0.337 -1.276) 1.443 43.399 ( 5.411 3.124 -12.105) 13.623 43.879 ( 9.648 5.570 13.469) 17.479 45.197 ( 23.488 13.561 9.171) 28.630 45.653 ( 7.387 4.265 -38.620) 39.550 ======================= Grid point 375 (127/231) ======================= q-point: ( 0.54 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.276 ( 28.528 16.471 1.027) 32.958 4.448 ( 28.428 16.413 19.585) 38.224 5.517 ( -19.225 -11.100 -6.478) 23.125 6.343 ( -5.393 -3.114 0.054) 6.228 6.549 ( 25.753 14.868 -5.791) 30.295 6.972 ( 1.017 0.587 5.278) 5.407 7.765 ( 3.755 2.168 -3.682) 5.689 7.782 ( -6.065 -3.502 -16.407) 17.839 8.124 ( -9.218 -5.322 -9.790) 14.462 8.281 ( 17.384 10.037 9.438) 22.182 8.768 ( -17.665 -10.199 -3.172) 20.642 9.702 ( -12.405 -7.162 14.909) 20.675 10.248 ( 12.417 7.169 6.763) 15.853 10.480 ( -0.395 -0.228 -7.151) 7.165 10.823 ( -7.840 -4.527 8.663) 12.530 11.072 ( 0.397 0.229 -7.097) 7.112 11.489 ( -5.314 -3.068 18.843) 19.817 11.577 ( -5.003 -2.888 -7.073) 9.132 20.800 ( -1.875 -1.083 -0.701) 2.276 21.040 ( -6.341 -3.661 0.419) 7.334 21.211 ( 2.941 1.698 0.476) 3.429 21.433 ( -3.014 -1.740 -1.891) 3.960 24.837 ( 0.294 0.170 1.045) 1.099 24.893 ( -1.453 -0.839 0.069) 1.679 32.494 ( 0.968 0.559 0.381) 1.181 32.523 ( 0.004 0.002 -1.021) 1.021 43.446 ( 4.439 2.563 -12.519) 13.528 44.133 ( 6.477 3.739 15.098) 16.849 45.547 ( 0.113 0.065 -32.374) 32.375 45.736 ( 20.761 11.986 9.713) 25.866 ======================= Grid point 376 (128/231) ======================= q-point: ( 0.62 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.664 ( -3.420 -1.974 0.581) 3.991 5.133 ( 23.610 13.631 19.265) 33.383 5.230 ( 6.091 3.517 -7.532) 10.305 6.089 ( -17.027 -9.831 0.888) 19.681 7.008 ( 2.266 1.308 -5.478) 6.070 7.087 ( 21.652 12.501 -13.682) 28.500 7.551 ( -7.399 -4.272 -13.710) 16.154 7.637 ( -12.875 -7.433 -6.954) 16.413 7.936 ( -1.294 -0.747 1.951) 2.457 8.351 ( -0.611 -0.353 8.385) 8.415 8.824 ( 11.288 6.517 5.550) 14.167 9.464 ( -16.221 -9.365 14.503) 23.689 10.269 ( -13.254 -7.652 -14.214) 20.886 10.476 ( 5.695 3.288 -4.826) 8.157 10.836 ( 4.085 2.359 11.563) 12.488 11.094 ( 0.687 0.396 -2.503) 2.625 11.482 ( -1.951 -1.126 -0.897) 2.425 11.524 ( 2.609 1.506 19.280) 19.514 20.788 ( 1.221 0.705 -1.237) 1.876 20.922 ( -4.429 -2.557 0.657) 5.156 21.303 ( 4.695 2.711 0.999) 5.513 21.347 ( -3.702 -2.138 -1.259) 4.457 24.853 ( 0.637 0.368 0.627) 0.967 24.860 ( -1.455 -0.840 -0.390) 1.724 32.513 ( -0.472 -0.273 -0.626) 0.830 32.525 ( 1.470 0.849 0.649) 1.817 43.458 ( 2.234 1.290 -12.179) 12.449 44.309 ( 2.033 1.174 15.791) 15.965 45.337 ( -4.849 -2.799 -27.605) 28.167 46.206 ( 17.415 10.054 8.962) 22.015 ======================= Grid point 377 (129/231) ======================= q-point: (-0.31 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( -24.590 -14.197 2.546) 28.508 5.402 ( -21.324 -12.312 17.602) 30.268 5.555 ( 18.881 10.901 -10.340) 24.129 5.891 ( 11.568 6.679 2.734) 13.635 6.912 ( -7.031 -4.060 -6.409) 10.344 7.116 ( -5.917 -3.416 -21.724) 22.773 7.316 ( -9.444 -5.452 -7.831) 13.425 7.500 ( 6.649 3.839 -3.452) 8.418 8.290 ( 25.238 14.571 8.081) 30.242 8.474 ( 5.857 3.382 4.974) 8.395 9.030 ( 4.718 2.724 5.389) 7.663 9.092 ( -25.182 -14.539 12.161) 31.518 9.851 ( -14.094 -8.137 -17.322) 23.768 10.504 ( 1.562 0.902 -8.478) 8.668 10.994 ( 3.568 2.060 7.545) 8.597 11.014 ( -7.033 -4.061 4.338) 9.207 11.478 ( 0.514 0.297 2.992) 3.050 11.837 ( 15.712 9.071 17.018) 24.875 20.841 ( 4.244 2.450 -1.793) 5.219 20.858 ( -1.609 -0.929 0.984) 2.103 21.272 ( -2.485 -1.435 -0.095) 2.871 21.410 ( 4.295 2.480 0.504) 4.985 24.825 ( -1.486 -0.858 -0.583) 1.813 24.869 ( 0.554 0.320 0.403) 0.756 32.498 ( -0.581 -0.336 -0.241) 0.713 32.560 ( 1.266 0.731 0.651) 1.600 43.416 ( -0.593 -0.342 -11.231) 11.252 44.381 ( -2.791 -1.611 15.460) 15.792 45.055 ( -8.738 -5.045 -23.475) 25.551 46.596 ( 14.285 8.247 6.921) 17.888 ======================= Grid point 378 (130/231) ======================= q-point: (-0.23 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.712 ( -28.030 -16.183 7.024) 33.120 4.785 ( -36.314 -20.966 13.948) 44.191 5.826 ( 10.239 5.911 -14.996) 19.096 6.193 ( 8.756 5.055 3.258) 10.623 6.797 ( -13.040 -7.529 -16.692) 22.480 6.873 ( 4.613 2.663 12.151) 13.268 7.074 ( -8.769 -5.063 -5.533) 11.539 7.748 ( 16.873 9.742 -15.014) 24.597 8.317 ( -35.454 -20.469 3.188) 41.063 8.610 ( 4.360 2.517 3.309) 6.025 9.008 ( 22.686 13.098 4.927) 26.655 9.119 ( 1.829 1.056 6.022) 6.382 9.557 ( -5.632 -3.251 -11.663) 13.353 10.485 ( 1.153 0.666 -9.469) 9.562 10.881 ( -6.659 -3.844 5.828) 9.648 11.067 ( 0.720 0.415 5.187) 5.253 11.488 ( -1.857 -1.072 2.431) 3.242 12.343 ( 21.354 12.328 18.146) 30.615 20.863 ( 1.405 0.811 1.368) 2.122 20.951 ( 6.510 3.759 -2.278) 7.855 21.247 ( 0.057 0.033 1.209) 1.210 21.483 ( 2.182 1.260 -0.913) 2.680 24.789 ( -1.492 -0.861 -0.494) 1.792 24.881 ( 0.328 0.190 0.354) 0.519 32.487 ( -0.261 -0.151 0.009) 0.301 32.582 ( 0.459 0.265 0.311) 0.615 43.318 ( -3.255 -1.879 -9.818) 10.513 44.347 ( -7.177 -4.143 14.116) 16.369 44.716 ( -11.807 -6.817 -19.523) 23.812 46.906 ( 11.479 6.627 2.992) 13.588 ======================= Grid point 379 (131/231) ======================= q-point: (-0.15 0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -30.339 -17.517 12.587) 37.225 4.012 ( -40.406 -23.329 16.708) 49.559 5.717 ( -18.580 -10.727 -17.348) 27.590 6.354 ( 5.590 3.228 5.838) 8.703 6.422 ( -11.001 -6.352 -11.563) 17.177 6.877 ( -6.325 -3.652 -7.219) 10.269 7.134 ( 7.556 4.363 18.040) 20.039 7.555 ( -29.006 -16.747 3.546) 33.681 7.984 ( 12.222 7.056 -21.919) 26.069 8.723 ( 6.136 3.542 -1.936) 7.345 9.231 ( 5.598 3.232 10.824) 12.607 9.323 ( 2.076 1.199 -11.232) 11.485 9.585 ( 12.135 7.006 5.534) 15.066 10.464 ( 1.976 1.141 -11.200) 11.430 10.808 ( -1.848 -1.067 4.482) 4.964 11.098 ( -0.280 -0.162 5.584) 5.593 11.406 ( -5.954 -3.438 0.198) 6.878 12.941 ( 23.798 13.740 17.656) 32.663 20.931 ( 3.884 2.242 1.739) 4.810 21.095 ( 7.523 4.343 -2.547) 9.052 21.286 ( 2.496 1.441 2.047) 3.535 21.491 ( -0.542 -0.313 -2.896) 2.963 24.756 ( -1.275 -0.736 0.159) 1.481 24.888 ( 0.166 0.096 0.563) 0.594 32.488 ( 0.360 0.208 0.071) 0.421 32.581 ( -0.537 -0.310 -0.279) 0.680 43.179 ( -4.901 -2.830 -8.043) 9.835 44.218 ( -10.420 -6.016 11.850) 16.888 44.341 ( -13.665 -7.890 -15.610) 22.196 47.122 ( 8.018 4.629 -4.909) 10.480 ======================= Grid point 384 (132/231) ======================= q-point: ( 0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.000 16.239 33.644) 37.358 2.299 ( -0.000 34.492 37.913) 51.255 3.093 ( -0.000 38.803 55.017) 67.324 5.701 ( 0.000 -5.542 -23.538) 24.182 6.153 ( 0.000 19.731 -18.580) 27.102 6.766 ( -0.000 -9.167 10.682) 14.076 7.003 ( -0.000 3.832 15.527) 15.993 7.898 ( -0.000 -17.577 16.321) 23.985 8.661 ( 0.000 -13.828 -9.573) 16.818 8.730 ( 0.000 -4.873 -15.889) 16.619 8.934 ( 0.000 -0.088 -14.908) 14.908 9.827 ( 0.000 5.589 -25.732) 26.332 10.052 ( -0.000 0.501 8.399) 8.414 10.105 ( -0.000 3.623 11.809) 12.352 10.860 ( 0.000 0.703 -2.880) 2.965 11.047 ( 0.000 7.087 -1.228) 7.192 11.841 ( -0.000 -7.718 20.308) 21.725 13.804 ( 0.000 3.593 -11.269) 11.828 21.254 ( -0.000 -1.259 0.029) 1.260 21.277 ( -0.000 -2.236 1.692) 2.804 21.420 ( 0.000 -3.832 -2.682) 4.677 21.492 ( 0.000 -0.166 -0.298) 0.341 24.978 ( -0.000 -0.727 3.672) 3.744 25.237 ( -0.000 -17.788 3.622) 18.153 32.500 ( -0.000 -0.681 0.108) 0.689 32.550 ( 0.000 -1.080 -0.343) 1.134 42.876 ( -0.000 -2.578 0.197) 2.585 43.360 ( 0.000 2.693 -5.165) 5.825 43.592 ( 0.000 13.654 -0.410) 13.660 44.120 ( 0.000 87.044 -33.767) 93.364 ======================= Grid point 385 (133/231) ======================= q-point: ( 0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 10.438 30.152 24.942) 40.500 2.620 ( -12.770 32.623 39.318) 52.661 4.220 ( 44.415 38.878 42.417) 72.687 5.585 ( 5.853 -2.588 -25.729) 26.513 6.297 ( 6.397 18.239 -18.625) 26.841 6.706 ( -2.521 -9.691 9.233) 13.620 7.039 ( -8.459 3.744 14.988) 17.612 7.827 ( -1.319 -9.365 15.473) 18.134 8.472 ( -1.226 -13.161 -8.277) 15.596 8.634 ( 1.023 -1.404 -17.891) 17.975 8.826 ( 2.100 -5.559 -15.605) 16.698 9.810 ( 4.532 8.181 -22.677) 24.530 10.072 ( -3.102 0.542 9.505) 10.013 10.236 ( 4.674 -0.121 13.543) 14.328 10.948 ( 8.631 1.432 -2.585) 9.123 11.121 ( 4.420 0.767 -0.003) 4.486 11.800 ( -5.924 -10.630 18.143) 21.847 13.520 ( -27.781 -0.684 -11.118) 29.931 21.191 ( -5.211 -0.676 -0.445) 5.274 21.291 ( 1.836 -4.647 0.711) 5.047 21.355 ( 0.101 -3.131 -1.843) 3.634 21.480 ( -0.742 -1.768 -0.719) 2.048 24.981 ( -0.642 -1.157 3.118) 3.387 25.048 ( -6.047 -10.741 4.789) 13.223 32.495 ( 0.018 0.152 -0.388) 0.417 32.530 ( -0.794 -1.177 -0.371) 1.468 43.038 ( 17.464 -4.649 1.439) 18.129 43.351 ( -1.273 7.051 -6.484) 9.663 43.877 ( 16.196 14.059 1.696) 21.514 44.844 ( 16.876 62.534 -43.462) 78.002 ======================= Grid point 386 (134/231) ======================= q-point: ( 0.38 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.789 ( 15.492 37.847 16.481) 44.091 3.022 ( 4.118 26.555 34.958) 44.093 5.466 ( 38.134 23.615 22.730) 50.284 5.588 ( 12.817 6.664 -16.666) 22.055 6.505 ( 11.130 11.536 -14.509) 21.621 6.580 ( -7.770 -9.125 7.213) 13.988 7.029 ( -2.550 5.528 10.216) 11.892 7.776 ( -0.776 -11.627 7.140) 13.666 8.300 ( -9.047 2.571 -6.349) 11.348 8.523 ( -3.647 2.074 -19.423) 19.871 8.810 ( 15.973 -14.780 -8.404) 23.328 9.873 ( 4.185 10.358 -17.754) 20.976 10.072 ( -3.697 2.384 8.881) 9.911 10.356 ( 4.614 -8.069 14.867) 17.534 11.093 ( 6.386 2.794 -1.052) 7.049 11.195 ( 5.229 -3.732 1.113) 6.520 11.661 ( -7.338 -11.318 15.804) 20.777 12.849 ( -41.452 -3.551 -9.382) 42.648 21.079 ( -7.165 -0.202 -0.379) 7.177 21.218 ( -1.580 -5.891 -1.587) 6.302 21.361 ( -0.320 -1.932 0.305) 1.982 21.437 ( 0.787 -3.312 -1.340) 3.658 24.913 ( -3.894 -4.862 3.613) 7.201 24.967 ( -1.156 -1.367 2.078) 2.743 32.496 ( -0.195 -0.336 -0.484) 0.620 32.508 ( -0.269 0.352 -0.738) 0.861 43.250 ( 7.741 1.511 -3.377) 8.580 43.456 ( 11.670 4.155 0.053) 12.388 44.364 ( 23.827 13.283 4.078) 27.583 45.323 ( 10.456 36.835 -41.261) 56.291 ======================= Grid point 387 (135/231) ======================= q-point: ( 0.46 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 14.377 36.843 12.578) 41.501 3.619 ( 19.526 23.769 25.686) 40.075 5.685 ( 15.513 3.339 -20.479) 25.907 6.266 ( 12.702 9.755 13.936) 21.230 6.312 ( -15.521 -9.119 5.071) 18.702 6.754 ( 13.236 10.454 -7.623) 18.509 7.308 ( 23.795 5.248 8.603) 25.841 7.679 ( -0.809 -9.549 5.089) 10.850 8.131 ( -10.570 5.357 -10.398) 15.765 8.362 ( -5.330 0.694 -18.021) 18.806 8.931 ( 13.302 -10.917 -1.353) 17.261 9.917 ( 0.716 2.784 -6.995) 7.563 10.121 ( -2.812 10.676 6.239) 12.681 10.386 ( 3.460 -10.918 10.521) 15.552 11.133 ( -3.868 -2.624 -4.112) 6.225 11.207 ( -0.603 -3.567 6.860) 7.755 11.576 ( -0.104 -7.287 13.450) 15.297 12.096 ( -37.014 -2.966 -7.261) 37.836 20.958 ( -7.053 0.285 -0.343) 7.067 21.146 ( 0.093 -4.726 -0.877) 4.807 21.273 ( -6.020 -2.213 -0.036) 6.414 21.439 ( 2.787 -4.073 -1.548) 5.172 24.854 ( -1.540 -1.869 2.264) 3.315 24.941 ( -1.400 -1.321 0.962) 2.152 32.483 ( -0.229 -0.184 -0.025) 0.294 32.515 ( 0.330 1.113 -1.178) 1.654 43.330 ( 2.399 7.167 -8.938) 11.705 43.751 ( 16.722 0.395 7.496) 18.329 44.920 ( 25.704 10.776 4.563) 28.242 45.505 ( 2.597 22.011 -33.653) 40.296 ======================= Grid point 388 (136/231) ======================= q-point: ( 0.54 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.106 ( 17.572 27.777 9.541) 34.225 4.325 ( 22.333 25.456 17.524) 38.130 5.701 ( -13.090 -5.188 -8.017) 16.203 6.221 ( 16.714 3.714 -1.817) 17.218 6.402 ( -1.437 0.498 3.318) 3.650 7.002 ( 6.543 7.632 -3.595) 10.676 7.517 ( 9.329 -16.079 -7.678) 20.113 7.735 ( -0.862 -6.908 -3.832) 7.946 8.122 ( 9.195 5.573 1.118) 10.810 8.194 ( -2.581 4.266 -7.394) 8.918 8.916 ( -7.359 -2.743 -0.491) 7.869 9.918 ( -2.840 1.794 2.033) 3.927 10.165 ( -0.297 -2.628 9.635) 9.992 10.451 ( 4.380 4.456 -1.484) 6.422 10.929 ( -8.837 -7.460 1.237) 11.631 11.171 ( -6.962 3.129 2.943) 8.181 11.555 ( -6.185 -6.815 -6.703) 11.385 11.642 ( -8.113 -3.431 15.773) 18.066 20.858 ( -5.289 1.068 -0.573) 5.426 21.095 ( -3.193 -4.403 0.016) 5.439 21.185 ( -0.364 -0.346 0.280) 0.575 21.414 ( 0.371 -4.737 -1.750) 5.064 24.841 ( -0.118 -0.459 1.386) 1.465 24.908 ( -1.447 -1.124 0.093) 1.835 32.489 ( 0.592 0.658 0.336) 0.946 32.522 ( -0.057 0.882 -1.093) 1.405 43.385 ( 1.553 7.801 -10.307) 13.020 44.057 ( 14.081 -0.608 10.562) 17.612 45.355 ( 10.656 6.628 -16.830) 20.994 45.602 ( 10.599 14.513 -5.842) 18.896 ======================= Grid point 389 (137/231) ======================= q-point: ( 0.62 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.643 ( 12.370 17.571 4.326) 21.920 4.975 ( 18.482 15.581 14.872) 28.382 5.337 ( -13.885 1.379 -2.621) 14.197 6.276 ( -11.960 -4.048 0.596) 12.640 6.693 ( 26.788 7.370 -6.580) 28.552 7.044 ( -2.934 2.652 -2.278) 4.564 7.424 ( -1.578 -17.083 -13.013) 21.532 7.575 ( 6.857 -10.285 -10.332) 16.110 7.995 ( -7.065 1.368 -5.634) 9.139 8.433 ( 1.692 -0.761 9.197) 9.382 8.830 ( -1.105 12.527 3.568) 13.072 9.781 ( -17.240 -0.424 11.004) 20.457 10.236 ( 6.756 -7.317 -4.185) 10.802 10.425 ( -6.316 -0.951 -7.887) 10.149 10.869 ( 1.167 1.816 9.345) 9.591 11.127 ( -3.350 8.070 -2.788) 9.172 11.395 ( 1.525 -10.420 1.664) 10.662 11.643 ( -1.851 -2.344 16.036) 16.312 20.805 ( -2.370 2.179 -1.007) 3.373 20.982 ( -5.068 -2.465 0.293) 5.643 21.238 ( 4.981 0.003 0.980) 5.077 21.350 ( -1.337 -4.727 -1.436) 5.118 24.850 ( 0.501 0.108 0.873) 1.012 24.873 ( -1.446 -0.905 -0.417) 1.756 32.517 ( 1.136 1.213 0.581) 1.761 32.519 ( -0.497 0.524 -0.745) 1.037 43.417 ( 0.064 6.861 -10.378) 12.441 44.299 ( 9.203 -1.716 11.864) 15.113 45.284 ( -5.560 4.724 -24.885) 25.933 46.020 ( 19.850 8.049 6.333) 22.336 ======================= Grid point 390 (138/231) ======================= q-point: (-0.31 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( -22.511 -9.806 5.848) 25.241 5.304 ( 16.190 10.605 -5.352) 20.081 5.609 ( 7.324 10.981 16.747) 21.324 5.948 ( -15.924 -0.306 -3.511) 16.309 6.910 ( -2.973 -10.406 -16.905) 20.072 6.991 ( 5.508 2.554 -5.734) 8.351 7.263 ( 3.242 -6.405 -8.347) 11.010 7.516 ( -2.623 -1.780 -4.870) 5.811 8.028 ( 12.363 2.991 3.880) 13.298 8.497 ( 2.764 7.242 4.734) 9.083 9.026 ( 5.147 7.069 5.925) 10.563 9.506 ( -22.798 -1.642 13.106) 26.348 9.958 ( -17.719 -6.773 -16.637) 25.231 10.397 ( 5.880 -3.607 -6.224) 9.291 10.964 ( 2.224 -2.666 7.960) 8.684 11.119 ( -3.842 3.129 0.908) 5.038 11.434 ( 6.484 -2.159 2.597) 7.311 11.754 ( 8.464 -0.393 17.595) 19.529 20.810 ( 0.808 2.634 -1.568) 3.170 20.906 ( -2.958 0.626 0.716) 3.108 21.274 ( -1.074 -4.082 -0.599) 4.263 21.338 ( 5.639 -0.446 0.801) 5.713 24.839 ( -1.484 -0.730 -0.606) 1.762 24.865 ( 0.594 0.234 0.581) 0.863 32.507 ( -0.805 0.153 -0.421) 0.921 32.554 ( 1.183 1.365 0.652) 1.920 43.406 ( -2.221 5.230 -9.631) 11.182 44.442 ( 3.370 -2.861 11.451) 12.275 45.064 ( -10.057 1.559 -20.459) 22.850 46.423 ( 17.719 5.041 4.376) 18.935 ======================= Grid point 391 (139/231) ======================= q-point: (-0.23 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -27.431 -13.867 9.776) 32.254 5.253 ( -30.717 -15.277 8.946) 35.453 5.629 ( 11.247 7.794 -6.740) 15.254 6.125 ( 8.328 11.979 -1.173) 14.637 6.710 ( 0.618 -9.209 -7.584) 11.946 7.015 ( -3.469 8.785 -3.788) 10.176 7.148 ( -6.553 -1.347 -9.583) 11.687 7.500 ( 6.925 -0.313 -5.897) 9.101 8.360 ( 21.186 -5.262 0.302) 21.832 8.622 ( -5.661 -3.472 7.713) 10.178 9.015 ( -17.445 -2.635 7.825) 19.301 9.273 ( -3.756 15.296 5.648) 16.732 9.596 ( -9.418 -0.887 -13.553) 16.528 10.426 ( 3.637 1.573 -8.310) 9.207 10.927 ( -3.236 -7.808 6.115) 10.433 11.125 ( -1.160 3.338 3.563) 5.019 11.503 ( 1.040 -0.526 1.728) 2.084 12.100 ( 22.497 -2.247 17.737) 28.736 20.849 ( 2.086 1.314 -0.726) 2.570 20.923 ( 1.380 5.660 -0.203) 5.829 21.234 ( 0.475 -2.785 0.601) 2.888 21.416 ( 4.673 -2.109 -0.394) 5.142 24.804 ( -1.533 -0.574 -0.501) 1.712 24.878 ( 0.450 0.171 0.473) 0.675 32.493 ( -0.638 -0.032 -0.124) 0.650 32.583 ( 0.515 1.034 0.308) 1.195 43.343 ( -4.774 3.614 -8.287) 10.224 44.470 ( -2.344 -4.038 8.231) 9.463 44.781 ( -13.562 -0.532 -14.302) 19.717 46.742 ( 14.794 2.796 0.298) 15.059 ======================= Grid point 392 (140/231) ======================= q-point: (-0.15 0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( -29.407 -15.956 15.087) 36.702 4.568 ( -39.038 -16.993 12.710) 44.432 5.778 ( 1.349 7.067 -12.675) 14.575 6.218 ( 1.696 -4.459 -4.845) 6.800 6.587 ( -8.498 2.000 -3.359) 9.354 6.949 ( -10.330 -0.231 -9.769) 14.220 7.153 ( 6.495 8.390 11.440) 15.603 7.575 ( 7.439 -9.478 -14.541) 18.884 8.124 ( -31.127 -3.004 6.250) 31.890 8.582 ( 12.241 -4.562 -2.052) 13.223 9.033 ( 9.084 -4.293 3.572) 10.664 9.434 ( -4.618 9.696 0.356) 10.746 9.525 ( 6.773 9.782 0.059) 11.898 10.465 ( 0.247 9.267 -10.300) 13.858 10.829 ( -2.880 -6.936 6.791) 10.125 11.161 ( -0.996 3.680 3.421) 5.123 11.464 ( -4.215 -2.490 -0.489) 4.920 12.600 ( 30.875 -5.518 16.456) 35.419 20.912 ( 3.364 3.192 0.519) 4.666 21.033 ( 4.454 6.908 -1.413) 8.340 21.246 ( 2.918 -1.828 1.482) 3.749 21.439 ( 2.435 -4.001 -2.120) 5.141 24.774 ( -1.394 -0.350 0.045) 1.438 24.888 ( 0.311 0.090 0.609) 0.690 32.486 ( -0.070 -0.052 0.007) 0.087 32.590 ( -0.510 0.474 -0.323) 0.767 43.237 ( -6.871 2.809 -6.481) 9.855 44.351 ( -7.726 -6.929 -6.578) 12.287 44.491 ( -15.885 0.601 2.347) 16.068 46.958 ( 10.969 0.375 -6.854) 12.939 ======================= Grid point 398 (141/231) ======================= q-point: ( 0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -0.000 35.488 24.112) 42.905 3.365 ( -0.000 38.043 33.246) 50.523 4.388 ( -0.000 39.554 43.090) 58.491 5.393 ( 0.000 2.087 -25.796) 25.880 6.295 ( 0.000 13.873 -24.167) 27.866 6.669 ( -0.000 -11.221 8.466) 14.056 7.256 ( -0.000 5.767 16.205) 17.200 7.842 ( -0.000 -7.786 16.838) 18.550 8.202 ( 0.000 -19.199 -7.964) 20.785 8.532 ( 0.000 0.433 -16.979) 16.985 8.756 ( 0.000 0.309 -15.611) 15.614 9.691 ( 0.000 5.857 -23.906) 24.613 10.146 ( -0.000 -2.566 13.003) 13.253 10.286 ( -0.000 0.973 12.495) 12.532 10.881 ( 0.000 5.600 -4.071) 6.923 11.086 ( -0.000 -2.686 2.599) 3.737 11.819 ( -0.000 -13.897 15.885) 21.106 13.702 ( 0.000 -1.043 -13.679) 13.718 21.232 ( -0.000 -4.605 2.517) 5.248 21.234 ( 0.000 -0.440 -2.122) 2.167 21.288 ( 0.000 -6.102 -2.378) 6.549 21.471 ( -0.000 -1.881 0.127) 1.885 24.988 ( -0.000 -1.710 2.738) 3.229 25.011 ( -0.000 -10.408 4.049) 11.168 32.495 ( 0.000 0.371 -0.450) 0.583 32.522 ( 0.000 -1.370 -0.359) 1.416 42.854 ( 0.000 0.563 -0.565) 0.798 43.418 ( 0.000 9.058 -5.559) 10.628 43.897 ( 0.000 17.566 1.198) 17.606 45.124 ( 0.000 57.243 -36.420) 67.847 ======================= Grid point 399 (142/231) ======================= q-point: ( 0.38 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( 9.185 38.515 20.592) 44.630 3.686 ( -17.735 38.432 33.095) 53.729 5.160 ( 21.924 8.854 0.511) 23.650 5.480 ( 17.058 27.217 8.289) 33.173 6.314 ( 8.201 4.594 -25.926) 27.578 6.586 ( -1.599 -11.378 6.784) 13.343 7.285 ( -11.843 5.312 13.041) 18.400 7.742 ( -4.795 -9.679 4.378) 11.655 8.246 ( 17.492 -8.323 2.652) 19.551 8.461 ( 0.752 0.367 -13.876) 13.901 8.607 ( -9.936 4.645 -13.905) 17.710 9.711 ( 9.362 4.752 -21.723) 24.127 10.175 ( -1.132 -2.437 12.552) 12.836 10.334 ( -0.364 -4.574 13.172) 13.948 10.994 ( 7.293 6.008 -3.572) 10.101 11.094 ( 2.954 -3.694 3.410) 5.831 11.713 ( -4.517 -14.935 13.176) 20.422 13.371 ( -27.197 -3.313 -11.678) 29.783 21.165 ( -1.198 -6.832 -1.913) 7.195 21.183 ( -4.215 -0.097 -1.030) 4.340 21.273 ( 3.944 -4.444 0.684) 5.981 21.435 ( -2.041 -2.569 -0.023) 3.281 24.927 ( -2.042 -6.389 3.362) 7.502 24.977 ( -0.648 -1.955 1.851) 2.769 32.495 ( -0.266 0.056 -0.482) 0.553 32.508 ( 0.063 -0.144 -0.594) 0.614 43.003 ( 15.416 -0.126 0.267) 15.419 43.457 ( -2.409 11.166 -6.191) 12.992 44.207 ( 14.447 17.288 2.886) 22.714 45.437 ( 1.154 41.093 -32.859) 52.628 ======================= Grid point 400 (143/231) ======================= q-point: ( 0.46 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.702 ( 14.312 37.818 17.689) 44.136 3.974 ( -9.943 37.472 28.580) 48.164 5.344 ( 15.274 3.618 -21.079) 26.281 6.217 ( 17.212 10.299 17.767) 26.795 6.408 ( 10.211 1.097 -15.173) 18.321 6.486 ( 1.930 -7.173 0.499) 7.445 7.193 ( -2.355 1.887 6.187) 6.883 7.669 ( 0.234 -3.474 5.958) 6.901 8.267 ( -11.099 -7.506 -12.229) 18.141 8.343 ( 0.318 2.200 -13.500) 13.682 8.687 ( 11.495 10.188 6.699) 16.757 9.801 ( 7.914 0.483 -15.309) 17.241 10.227 ( 3.068 1.805 8.013) 8.768 10.323 ( -1.518 -8.072 12.068) 14.597 11.096 ( 4.266 -3.395 -1.713) 5.715 11.159 ( 2.114 1.621 -0.087) 2.665 11.572 ( -2.292 -12.825 13.633) 18.857 12.716 ( -39.550 -2.719 -7.475) 40.342 21.080 ( -2.121 -5.126 -0.750) 5.598 21.089 ( -4.639 0.139 -1.751) 4.961 21.300 ( 3.167 -4.864 0.484) 5.824 21.357 ( -3.013 -3.423 -0.447) 4.582 24.868 ( -1.399 -3.088 2.447) 4.181 24.951 ( -1.064 -1.807 0.820) 2.252 32.485 ( -0.248 -0.228 -0.049) 0.341 32.516 ( 0.383 1.274 -1.086) 1.717 43.282 ( 13.666 2.329 0.819) 13.887 43.527 ( 5.528 8.305 -6.295) 11.796 44.679 ( 20.535 14.484 4.865) 25.596 45.594 ( -2.349 27.328 -27.600) 38.912 ======================= Grid point 401 (144/231) ======================= q-point: ( 0.54 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.347 ( 3.670 27.174 25.650) 37.548 4.392 ( 10.285 41.298 10.633) 43.868 5.593 ( 17.178 6.147 -14.014) 23.005 6.191 ( -9.242 -6.674 1.910) 11.559 6.454 ( -2.962 -1.175 6.984) 7.676 6.664 ( 25.259 -4.153 -18.704) 31.704 7.284 ( 3.870 -6.698 -0.359) 7.744 7.709 ( -5.129 -7.473 2.034) 9.289 8.011 ( 5.459 -3.132 -1.063) 6.383 8.283 ( -5.850 8.874 -10.282) 14.788 8.993 ( 4.631 12.292 6.803) 14.792 9.815 ( 6.030 -5.716 -5.685) 10.068 10.255 ( -4.694 -7.406 9.548) 12.963 10.403 ( 8.314 6.906 0.493) 10.820 11.021 ( -8.397 -2.534 -2.788) 9.203 11.158 ( 3.456 -6.107 -0.351) 7.025 11.569 ( 1.864 -7.031 13.508) 15.342 12.036 ( -34.707 -0.803 -1.805) 34.763 20.974 ( -6.725 1.443 -0.824) 6.927 21.050 ( 1.660 -4.125 -0.468) 4.471 21.232 ( -5.029 -2.156 0.089) 5.473 21.323 ( 2.871 -6.229 -0.819) 6.907 24.845 ( -0.330 -1.183 1.652) 2.058 24.918 ( -1.231 -1.409 -0.007) 1.871 32.488 ( 0.449 0.555 0.305) 0.776 32.528 ( 0.075 1.378 -1.144) 1.792 43.433 ( -0.142 10.812 -4.802) 11.832 43.774 ( 19.594 -1.169 0.233) 19.630 45.163 ( 18.508 11.081 2.956) 21.773 45.626 ( -2.784 17.105 -19.238) 25.893 ======================= Grid point 402 (145/231) ======================= q-point: ( 0.62 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.761 ( 3.258 26.851 13.195) 30.095 4.988 ( 11.875 24.232 13.906) 30.358 5.590 ( -13.675 1.802 -3.515) 14.234 6.303 ( 20.142 5.608 0.944) 20.929 6.390 ( -1.926 -2.862 -3.638) 5.014 6.976 ( 22.178 1.057 -15.015) 26.803 7.175 ( -0.716 -13.088 -4.062) 13.722 7.328 ( -9.903 -21.859 -8.968) 25.619 8.135 ( -6.547 6.809 -4.171) 10.326 8.352 ( 10.676 2.616 7.524) 13.320 9.083 ( -9.222 12.993 3.029) 16.219 9.909 ( 12.022 -4.374 -1.308) 12.859 10.112 ( -9.558 -6.991 7.354) 13.939 10.478 ( -4.203 -2.092 -7.718) 9.033 10.937 ( -0.736 6.910 2.966) 7.556 11.151 ( 4.294 -8.308 2.437) 9.665 11.467 ( -16.868 1.231 1.580) 16.987 11.699 ( -3.229 -6.259 11.625) 13.592 20.890 ( -5.162 2.855 -0.967) 5.978 21.023 ( -1.760 -3.085 0.040) 3.552 21.173 ( 1.157 -1.446 0.637) 1.958 21.291 ( 1.081 -6.117 -1.013) 6.294 24.847 ( 0.375 -0.279 1.083) 1.180 24.885 ( -1.286 -0.961 -0.476) 1.674 32.513 ( 1.122 1.190 0.602) 1.743 32.531 ( -0.490 1.124 -0.951) 1.552 43.483 ( -2.723 11.335 -6.578) 13.385 44.078 ( 17.904 -3.419 2.624) 18.416 45.367 ( -5.313 11.113 -12.277) 17.391 45.794 ( 16.782 6.632 0.717) 18.059 ======================= Grid point 403 (146/231) ======================= q-point: (-0.31 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.890 ( -18.817 -1.652 8.786) 20.833 5.241 ( 3.769 13.234 2.757) 14.033 5.682 ( 7.832 19.973 9.625) 23.514 6.206 ( -13.492 -1.173 -3.067) 13.886 6.631 ( 9.064 -8.179 -12.762) 17.661 6.968 ( 3.534 -10.988 1.816) 11.684 7.044 ( 3.807 -0.374 -10.275) 10.964 7.354 ( 17.743 -0.499 -8.146) 19.530 8.046 ( -6.999 6.362 -2.394) 9.757 8.521 ( 4.253 0.653 5.651) 7.103 9.099 ( -2.602 10.761 3.220) 11.530 9.869 ( -15.203 -1.507 7.978) 17.235 10.035 ( 2.172 -6.134 -7.458) 9.897 10.251 ( -5.868 -6.846 -7.231) 11.558 10.965 ( -2.301 -4.879 7.744) 9.438 11.228 ( -0.284 4.918 -3.773) 6.205 11.309 ( 1.968 -0.551 6.945) 7.239 11.714 ( 3.297 -6.121 12.575) 14.369 20.849 ( -2.787 3.385 -1.478) 4.627 20.962 ( -2.633 0.102 0.548) 2.691 21.216 ( 3.531 -3.522 0.194) 4.991 21.248 ( 2.080 -4.138 -0.038) 4.632 24.853 ( -1.312 -0.582 -0.577) 1.547 24.859 ( 0.586 0.027 0.671) 0.891 32.523 ( -0.979 0.731 -0.617) 1.369 32.550 ( 1.326 1.389 0.648) 2.027 43.492 ( -4.418 9.900 -6.337) 12.558 44.306 ( 12.255 -4.271 1.642) 13.081 45.229 ( -13.021 8.087 -10.022) 18.313 46.162 ( 19.599 2.228 2.102) 19.837 ======================= Grid point 404 (147/231) ======================= q-point: (-0.23 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.462 ( -27.536 -9.896 11.543) 31.455 5.409 ( -0.051 5.490 -5.724) 7.932 5.747 ( -15.745 -5.836 11.379) 20.285 6.168 ( 1.935 16.782 -0.613) 16.905 6.498 ( 7.171 -12.376 -10.751) 17.894 7.031 ( 4.558 6.133 -5.846) 9.621 7.136 ( 4.691 1.644 -8.586) 9.921 7.486 ( -0.583 3.680 -1.366) 3.968 8.051 ( 6.740 -1.560 -2.432) 7.334 8.628 ( 4.304 -2.313 7.479) 8.934 9.199 ( -0.578 5.663 3.087) 6.476 9.659 ( -20.051 4.090 9.968) 22.763 9.715 ( -14.541 0.309 -14.954) 20.860 10.268 ( 10.791 -2.533 -5.546) 12.394 10.916 ( -0.351 -8.546 8.344) 11.949 11.187 ( -2.608 2.091 -1.007) 3.491 11.453 ( 5.461 0.352 2.789) 6.142 11.832 ( 11.752 -8.912 13.939) 20.294 20.844 ( -0.278 2.722 -1.403) 3.075 20.967 ( 0.173 4.669 0.472) 4.696 21.190 ( 0.725 -4.194 0.204) 4.261 21.298 ( 5.443 -4.101 0.008) 6.815 24.823 ( -1.449 -0.291 -0.480) 1.554 24.873 ( 0.594 0.053 0.501) 0.778 32.508 ( -1.117 0.361 -0.283) 1.208 32.584 ( 0.874 1.102 0.325) 1.444 43.459 ( -6.437 8.236 -5.100) 11.631 44.405 ( 5.124 -5.109 -3.155) 7.894 45.021 ( -15.802 6.142 -2.317) 17.111 46.481 ( 17.451 -0.446 -1.643) 17.534 ======================= Grid point 405 (148/231) ======================= q-point: (-0.15 0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.957 ( -29.773 -11.172 16.202) 35.690 5.064 ( -30.902 -11.860 5.713) 33.589 5.718 ( 5.089 6.269 -3.377) 8.752 6.198 ( -2.068 -0.186 -5.455) 5.837 6.607 ( 6.897 3.225 -2.926) 8.156 7.093 ( -7.360 5.903 -8.932) 12.992 7.159 ( 5.528 7.907 -5.790) 11.252 7.439 ( -5.464 0.840 -0.134) 5.530 8.200 ( 17.553 -6.809 -6.492) 19.915 8.565 ( -13.323 -9.971 10.801) 19.839 9.055 ( -13.437 -1.292 4.867) 14.349 9.519 ( -0.699 8.532 -9.478) 12.772 9.636 ( -4.923 8.882 7.526) 12.640 10.437 ( 9.342 8.507 -7.451) 14.669 10.861 ( -3.457 -5.556 6.273) 9.065 11.199 ( 1.906 2.717 -0.090) 3.320 11.484 ( -1.209 -1.943 -0.684) 2.389 12.082 ( 24.672 -17.329 15.035) 33.690 20.885 ( 2.677 3.203 -0.850) 4.260 21.051 ( 2.453 7.541 -0.121) 7.931 21.181 ( 2.180 -3.465 0.972) 4.208 21.326 ( 4.082 -5.984 -1.258) 7.352 24.795 ( -1.424 -0.014 -0.060) 1.426 24.885 ( 0.499 -0.003 0.514) 0.716 32.493 ( -0.800 0.098 -0.070) 0.809 32.599 ( -0.060 0.524 -0.306) 0.610 43.388 ( -8.293 7.331 -3.215) 11.526 44.331 ( -3.225 -6.338 -10.393) 12.593 44.822 ( -16.469 6.274 6.751) 18.872 46.702 ( 13.716 -2.849 -7.910) 16.087 ======================= Grid point 412 (149/231) ======================= q-point: ( 0.38 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.441 ( -0.000 39.635 19.825) 44.317 4.415 ( -0.000 37.434 29.497) 47.659 5.000 ( 0.000 3.796 -11.125) 11.755 5.684 ( -0.000 34.157 19.943) 39.552 6.084 ( 0.000 -5.479 -29.953) 30.450 6.510 ( -0.000 -12.973 4.891) 13.864 7.534 ( -0.000 5.479 13.269) 14.355 7.823 ( 0.000 -13.963 -5.983) 15.191 7.866 ( -0.000 -3.247 4.325) 5.408 8.449 ( 0.000 7.572 -11.181) 13.504 8.732 ( 0.000 10.453 -3.625) 11.064 9.530 ( 0.000 1.139 -20.810) 20.841 10.215 ( -0.000 -4.799 14.091) 14.886 10.345 ( -0.000 -9.407 12.052) 15.289 10.994 ( 0.000 10.183 -3.743) 10.849 11.055 ( -0.000 -2.622 3.575) 4.433 11.659 ( -0.000 -15.638 8.969) 18.028 13.483 ( 0.000 -7.214 -13.260) 15.095 21.095 ( 0.000 -7.902 -3.060) 8.474 21.159 ( -0.000 -5.767 2.904) 6.457 21.253 ( 0.000 1.908 -2.245) 2.946 21.428 ( -0.000 -2.845 0.551) 2.898 24.901 ( -0.000 -5.389 2.960) 6.149 24.970 ( -0.000 -2.213 1.213) 2.524 32.496 ( 0.000 -0.831 -0.257) 0.870 32.503 ( 0.000 1.103 -0.831) 1.381 42.881 ( 0.000 2.663 -0.633) 2.738 43.583 ( 0.000 12.197 -2.277) 12.407 44.266 ( 0.000 19.120 1.291) 19.163 45.642 ( 0.000 33.927 -27.933) 43.947 ======================= Grid point 413 (150/231) ======================= q-point: ( 0.46 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 7.660 37.999 17.846) 42.673 4.723 ( -15.340 34.795 27.229) 46.770 5.082 ( 9.281 8.554 -16.872) 21.071 5.913 ( 9.858 -9.808 -23.283) 27.120 6.289 ( 15.298 20.872 16.401) 30.638 6.409 ( 2.352 -12.146 4.629) 13.209 7.412 ( -18.437 -1.832 -0.349) 18.531 7.629 ( 2.132 -4.925 3.751) 6.548 8.059 ( 11.244 -6.940 -8.863) 15.910 8.443 ( -5.196 8.718 -4.954) 11.294 8.814 ( -2.705 17.685 5.670) 18.767 9.547 ( 11.405 -0.060 -16.670) 20.198 10.226 ( -0.244 -6.365 12.701) 14.209 10.303 ( 1.124 -11.416 10.104) 15.286 11.035 ( 0.159 1.563 -0.599) 1.681 11.143 ( 4.255 6.108 -0.361) 7.453 11.531 ( -1.874 -14.194 7.133) 15.996 13.143 ( -22.224 -8.036 -11.371) 26.225 21.004 ( 0.107 -7.421 -1.766) 7.629 21.141 ( 1.414 -4.614 0.777) 4.888 21.235 ( -2.182 1.063 -1.216) 2.715 21.384 ( -2.408 -2.893 0.403) 3.786 24.866 ( -0.627 -3.371 2.412) 4.192 24.949 ( -0.532 -2.019 0.425) 2.131 32.486 ( -0.226 -0.247 -0.081) 0.344 32.515 ( 0.511 1.322 -1.001) 1.735 43.025 ( 13.654 2.008 -0.081) 13.801 43.648 ( -4.716 12.955 -1.927) 13.921 44.568 ( 12.954 16.847 2.699) 21.422 45.768 ( -3.047 25.075 -23.182) 34.285 ======================= Grid point 414 (151/231) ======================= q-point: ( 0.54 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.568 ( 10.261 32.500 18.448) 38.754 4.972 ( -10.817 36.236 22.595) 44.052 5.294 ( 15.343 11.780 -13.783) 23.752 5.953 ( 20.594 -11.098 -21.376) 31.689 6.296 ( 1.964 -10.039 -2.080) 10.439 6.616 ( -7.292 -0.611 14.975) 16.667 7.200 ( -1.758 -1.365 -7.070) 7.412 7.706 ( 4.748 -1.508 5.517) 7.433 7.905 ( -5.328 -10.903 -8.966) 15.088 8.442 ( -4.931 11.858 -4.749) 13.692 9.077 ( 7.199 16.937 9.471) 20.698 9.631 ( 5.719 -2.933 -8.252) 10.460 10.264 ( 3.049 -9.644 4.122) 10.922 10.277 ( 5.381 -4.613 10.113) 12.349 11.054 ( 1.300 0.097 -0.905) 1.587 11.152 ( -7.093 1.428 -4.355) 8.445 11.488 ( 5.486 -8.855 10.279) 14.635 12.562 ( -31.871 -5.521 -7.606) 33.227 20.951 ( 2.056 -5.928 -0.421) 6.289 21.096 ( -3.809 -0.062 -1.667) 4.158 21.214 ( 1.196 -3.257 0.421) 3.495 21.299 ( -4.551 -2.619 0.090) 5.251 24.845 ( -0.259 -1.693 1.795) 2.481 24.921 ( -0.840 -1.504 -0.221) 1.737 32.488 ( 0.334 0.351 0.234) 0.538 32.532 ( 0.421 1.520 -1.108) 1.927 43.325 ( 19.283 1.051 0.977) 19.337 43.677 ( -4.276 12.563 -3.513) 13.728 44.990 ( 17.760 12.057 4.690) 21.972 45.784 ( -6.524 17.634 -17.918) 25.972 ======================= Grid point 415 (152/231) ======================= q-point: ( 0.62 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( 4.903 24.854 20.052) 32.309 5.255 ( -6.539 29.579 14.300) 33.499 5.624 ( 12.905 8.461 -7.434) 17.128 6.121 ( 15.040 2.445 -7.422) 16.948 6.268 ( 7.422 -9.368 -11.187) 16.370 6.507 ( 5.423 -5.206 3.997) 8.514 7.101 ( -2.447 -5.935 -8.461) 10.621 7.370 ( -19.451 -15.448 -8.084) 26.121 8.084 ( 16.059 -0.259 9.073) 18.447 8.424 ( -7.604 11.999 -5.939) 15.397 9.352 ( -1.636 14.088 7.051) 15.839 9.623 ( 8.098 -8.992 -2.230) 12.305 10.195 ( -2.930 -8.296 4.862) 10.052 10.402 ( 5.700 -4.710 -1.489) 7.543 11.018 ( -0.716 -1.395 -1.135) 1.936 11.073 ( -2.740 3.718 0.707) 4.672 11.560 ( 4.487 -7.031 9.274) 12.473 11.980 ( -28.586 -2.313 -3.913) 28.945 20.948 ( 2.363 -3.682 0.834) 4.454 21.021 ( -4.363 1.701 -2.167) 5.161 21.192 ( -2.676 -2.693 0.448) 3.823 21.209 ( -0.089 -4.155 -0.191) 4.161 24.842 ( 0.297 -0.704 1.234) 1.451 24.892 ( -0.991 -0.909 -0.566) 1.459 32.507 ( 1.074 0.816 0.524) 1.447 32.544 ( -0.102 1.456 -1.009) 1.775 43.616 ( 4.507 8.506 1.051) 9.684 43.755 ( 11.238 3.070 -4.163) 12.371 45.395 ( 14.771 8.480 4.367) 17.583 45.727 ( -5.650 10.604 -11.910) 16.918 ======================= Grid point 416 (153/231) ======================= q-point: ( 0.69 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.261 ( -18.313 2.674 11.625) 21.855 5.425 ( -1.750 18.361 10.372) 21.161 5.804 ( 4.651 13.772 3.348) 14.917 6.166 ( 4.210 -10.241 -15.541) 19.082 6.442 ( 10.753 3.345 6.974) 13.246 6.840 ( -9.574 -11.413 -9.422) 17.626 6.878 ( 29.274 1.851 -2.738) 29.460 7.031 ( -0.974 3.930 -10.398) 11.158 8.261 ( -6.025 5.890 1.155) 8.505 8.420 ( 5.722 -0.251 1.178) 5.847 9.343 ( -11.172 9.885 3.190) 15.254 9.753 ( 14.923 -9.042 -1.202) 17.490 10.057 ( -7.699 -7.355 5.622) 12.041 10.284 ( -6.839 -6.768 -8.831) 13.059 11.019 ( -3.851 -5.335 6.854) 9.501 11.145 ( 7.244 6.663 0.375) 9.849 11.521 ( -14.621 1.537 1.250) 14.754 11.646 ( 0.427 -7.670 4.889) 9.106 20.937 ( -3.712 2.826 -0.915) 4.754 20.980 ( 0.208 -1.422 0.031) 1.438 21.143 ( 0.586 -2.267 0.533) 2.402 21.179 ( 1.040 -4.487 -0.275) 4.614 24.851 ( 0.629 -0.280 0.786) 1.045 24.866 ( -1.102 -0.401 -0.614) 1.324 32.541 ( 1.431 0.918 0.565) 1.792 32.544 ( -0.719 1.176 -0.692) 1.542 43.666 ( -6.141 11.895 -1.756) 13.502 44.015 ( 17.495 -2.766 -2.382) 17.872 45.506 ( -12.057 11.178 -2.841) 16.685 45.857 ( 18.229 0.091 -0.866) 18.250 ======================= Grid point 417 (154/231) ======================= q-point: (-0.23 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.901 ( -26.677 -5.885 12.642) 30.101 5.539 ( -6.459 13.510 -0.486) 14.983 5.889 ( -4.319 -9.642 0.610) 10.583 6.171 ( 12.086 -6.244 -4.473) 14.321 6.370 ( -10.718 3.021 1.828) 11.285 6.836 ( 17.377 -6.983 2.473) 18.891 7.082 ( 1.807 21.180 -17.491) 27.528 7.419 ( 18.527 9.565 0.149) 20.851 8.118 ( -12.773 3.635 -4.252) 13.944 8.522 ( 7.169 -8.138 6.436) 12.611 9.304 ( -4.915 8.636 0.939) 9.981 9.846 ( -1.403 -0.151 -8.101) 8.223 9.909 ( -2.012 -5.748 5.278) 8.059 10.065 ( -3.075 -5.549 -3.507) 7.249 10.912 ( -5.033 -8.204 11.287) 14.834 11.227 ( -1.933 0.023 -7.001) 7.263 11.422 ( 0.653 2.951 5.438) 6.222 11.670 ( 5.398 -8.229 6.360) 11.718 20.895 ( -3.217 3.187 -1.414) 4.744 20.997 ( 1.130 2.425 0.754) 2.780 21.138 ( 1.053 -3.660 0.352) 3.824 21.176 ( 3.772 -4.128 -0.206) 5.596 24.841 ( -1.247 -0.033 -0.445) 1.325 24.864 ( 0.722 -0.176 0.478) 0.884 32.533 ( -1.329 0.791 -0.370) 1.590 32.576 ( 1.354 0.593 0.332) 1.515 43.650 ( -7.561 10.254 -1.117) 12.789 44.203 ( 10.869 -3.867 -5.176) 12.645 45.359 ( -15.703 9.444 1.681) 18.401 46.151 ( 18.827 -2.776 -2.885) 19.248 ======================= Grid point 418 (155/231) ======================= q-point: (-0.15 0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( -29.385 -5.900 16.248) 34.092 5.409 ( -18.280 -4.318 -0.293) 18.785 5.738 ( -1.905 1.920 -0.188) 2.712 6.110 ( 2.823 -11.489 -4.138) 12.534 6.512 ( 7.460 7.662 2.530) 10.989 7.073 ( 12.290 -0.595 1.089) 12.353 7.212 ( -2.007 24.348 -20.147) 31.667 7.612 ( -4.570 5.325 4.676) 8.432 7.941 ( -1.352 -2.321 -8.810) 9.210 8.548 ( 3.311 -14.037 9.102) 17.054 9.287 ( -7.770 0.457 2.308) 8.118 9.663 ( -11.967 10.246 -11.713) 19.631 9.831 ( -6.108 -0.475 8.701) 10.641 10.235 ( 18.694 5.554 -3.416) 19.799 10.859 ( 0.701 -7.552 10.714) 13.127 11.153 ( 0.835 -2.304 -5.152) 5.705 11.477 ( 0.221 -0.594 1.824) 1.931 11.715 ( 8.437 -14.033 7.980) 18.215 20.891 ( -0.227 3.154 -0.710) 3.241 21.069 ( 2.749 4.938 0.024) 5.652 21.130 ( 1.268 -2.314 0.795) 2.755 21.192 ( 4.054 -5.859 -0.961) 7.189 24.819 ( -1.331 0.250 -0.115) 1.360 24.876 ( 0.696 -0.195 0.361) 0.808 32.514 ( -1.439 0.424 -0.080) 1.502 32.596 ( 0.631 -0.003 -0.238) 0.674 43.605 ( -8.785 9.098 0.480) 12.657 44.232 ( 2.297 -5.272 -9.279) 10.916 45.208 ( -16.191 9.784 7.295) 20.275 46.377 ( 15.897 -4.852 -8.194) 18.531 ======================= Grid point 426 (156/231) ======================= q-point: ( 0.46 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( -0.000 33.640 10.025) 35.102 4.983 ( 0.000 10.885 -6.738) 12.802 5.312 ( -0.000 17.636 16.408) 24.089 5.670 ( 0.000 4.570 -16.556) 17.175 6.258 ( -0.000 -15.956 -0.699) 15.972 6.439 ( -0.000 19.347 20.123) 27.915 7.467 ( 0.000 -13.221 -9.855) 16.490 7.709 ( -0.000 -1.002 8.082) 8.144 7.819 ( 0.000 3.040 -8.520) 9.046 8.550 ( 0.000 6.973 -2.977) 7.582 9.093 ( -0.000 21.598 9.889) 23.755 9.324 ( 0.000 -0.988 -16.193) 16.223 10.171 ( -0.000 -20.613 11.736) 23.719 10.261 ( -0.000 -3.736 10.596) 11.236 11.061 ( -0.000 -0.516 1.470) 1.558 11.170 ( 0.000 10.959 -2.448) 11.229 11.443 ( -0.000 -11.715 1.795) 11.851 13.165 ( 0.000 -11.384 -13.057) 17.322 20.921 ( 0.000 -7.155 -2.048) 7.443 21.076 ( -0.000 -5.801 2.615) 6.363 21.276 ( 0.000 3.161 -2.849) 4.255 21.379 ( -0.000 -3.052 0.969) 3.202 24.853 ( -0.000 -2.742 2.177) 3.501 24.936 ( -0.000 -1.820 -0.070) 1.822 32.486 ( 0.000 -0.110 -0.039) 0.117 32.518 ( 0.000 1.454 -0.975) 1.751 42.936 ( 0.000 3.406 -0.053) 3.406 43.820 ( -0.000 11.339 3.655) 11.913 44.626 ( 0.000 17.249 -0.376) 17.253 45.906 ( 0.000 20.460 -18.670) 27.697 ======================= Grid point 427 (157/231) ======================= q-point: ( 0.54 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.733 ( 12.629 24.713 0.545) 27.758 5.145 ( 2.717 15.166 5.461) 16.347 5.420 ( 13.123 -3.875 -9.279) 16.532 5.744 ( -14.102 26.552 11.552) 32.208 6.127 ( 3.216 -12.785 -3.353) 13.603 6.745 ( 3.615 4.534 17.145) 18.100 7.221 ( -7.559 -7.514 -12.796) 16.654 7.651 ( 0.566 0.970 5.465) 5.579 7.868 ( -2.570 -2.202 -10.366) 10.905 8.561 ( -0.872 3.053 -0.859) 3.289 9.174 ( -1.597 8.615 -1.340) 8.864 9.526 ( 10.130 14.735 0.476) 17.888 10.047 ( 4.188 -21.285 10.150) 23.950 10.274 ( -0.152 -3.796 8.299) 9.127 11.048 ( -0.598 -0.424 -1.395) 1.576 11.263 ( -2.832 7.335 -2.572) 8.272 11.357 ( 3.501 -7.895 2.260) 8.927 12.842 ( -16.729 -10.298 -12.022) 23.031 20.861 ( 1.459 -5.736 -1.013) 6.005 21.053 ( 1.860 -5.387 1.390) 5.866 21.260 ( -3.578 2.910 -1.991) 5.023 21.336 ( -2.423 -2.570 0.626) 3.587 24.840 ( -0.061 -1.804 1.774) 2.531 24.916 ( -0.390 -1.307 -0.471) 1.443 32.487 ( 0.152 0.210 0.156) 0.302 32.532 ( 0.514 1.527 -1.001) 1.896 43.072 ( 11.904 2.649 0.451) 12.203 43.893 ( -5.737 10.889 4.305) 13.039 44.874 ( 11.342 12.782 0.004) 17.089 45.960 ( -4.491 16.185 -13.515) 21.559 ======================= Grid point 428 (158/231) ======================= q-point: ( 0.62 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.240 ( 17.778 21.531 4.720) 28.318 5.372 ( 13.269 4.296 -0.493) 13.956 5.662 ( 17.505 5.732 -4.189) 18.890 5.752 ( -8.776 5.546 6.166) 12.074 6.123 ( 0.225 5.179 1.443) 5.381 6.693 ( -14.565 -1.943 11.085) 18.406 7.041 ( -1.358 -1.829 -11.946) 12.161 7.552 ( -20.087 -7.386 -10.004) 23.625 7.844 ( 14.997 -0.153 7.093) 16.591 8.589 ( -1.604 6.840 -3.792) 7.984 9.278 ( 9.436 -0.372 -1.924) 9.637 9.683 ( -6.116 5.142 7.994) 11.303 10.057 ( 8.525 -11.228 2.148) 14.260 10.295 ( 3.335 -2.779 5.560) 7.054 11.012 ( -1.498 -1.405 -1.673) 2.649 11.195 ( -5.275 2.703 -0.224) 5.932 11.433 ( 6.359 -2.805 1.725) 7.161 12.356 ( -24.104 -6.283 -9.593) 26.693 20.854 ( 3.525 -3.989 0.246) 5.329 21.038 ( 1.128 -3.784 -0.352) 3.964 21.207 ( -4.156 1.594 -0.691) 4.504 21.258 ( -4.548 -1.710 0.203) 4.863 24.836 ( 0.258 -1.050 1.293) 1.685 24.895 ( -0.630 -0.698 -0.658) 1.148 32.499 ( 0.812 0.413 0.400) 0.995 32.550 ( 0.399 1.523 -0.940) 1.834 43.351 ( 18.403 1.181 0.381) 18.444 43.906 ( -7.171 10.828 3.041) 13.339 45.200 ( 16.093 6.022 0.789) 17.201 45.933 ( -8.837 13.068 -7.906) 17.646 ======================= Grid point 429 (159/231) ======================= q-point: ( 0.69 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.535 ( 0.186 -2.841 3.696) 4.666 5.660 ( 1.421 14.541 13.529) 19.912 5.695 ( 8.600 -9.377 -9.625) 15.955 5.960 ( 4.165 6.569 -9.659) 12.401 6.312 ( 23.142 8.880 7.301) 25.840 6.539 ( -5.562 -3.477 11.808) 13.508 7.032 ( -6.524 13.208 -12.567) 19.363 7.078 ( -14.009 -1.554 -7.594) 16.010 8.116 ( 15.022 -5.705 7.378) 17.681 8.561 ( -8.098 8.174 -5.722) 12.851 9.424 ( 12.897 -7.293 -1.163) 14.862 9.623 ( -8.671 3.725 7.167) 11.850 10.024 ( 0.306 -11.062 3.159) 11.509 10.292 ( -3.702 -3.848 -4.926) 7.265 11.023 ( 2.613 0.763 4.563) 5.313 11.158 ( -1.692 0.816 0.087) 1.881 11.504 ( 4.946 -2.981 0.793) 5.829 11.875 ( -22.652 -2.358 -6.573) 23.704 20.896 ( 4.552 -2.562 1.107) 5.339 21.014 ( -0.955 -0.254 -1.603) 1.883 21.153 ( -2.914 -0.354 -0.027) 2.935 21.169 ( -3.991 -1.370 0.305) 4.230 24.841 ( 0.602 -0.634 0.834) 1.209 24.875 ( -0.800 -0.179 -0.627) 1.032 32.525 ( 1.446 0.340 0.504) 1.568 32.562 ( -0.232 1.359 -0.708) 1.550 43.672 ( 18.988 -0.274 -0.843) 19.009 43.900 ( -7.330 10.038 2.455) 12.670 45.512 ( 17.835 0.135 -0.370) 17.839 45.845 ( -12.246 11.086 -2.256) 16.672 ======================= Grid point 430 (160/231) ======================= q-point: (-0.23 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.334 ( -21.349 -4.109 13.268) 25.469 5.570 ( 4.805 -17.054 -16.282) 24.063 5.916 ( -1.552 8.970 3.929) 9.915 5.955 ( 3.999 -1.305 -1.875) 4.606 6.484 ( 4.550 -6.392 11.968) 14.311 6.648 ( -8.896 0.398 -8.908) 12.596 7.086 ( 31.145 12.596 8.333) 34.614 7.257 ( 0.647 30.431 -13.130) 33.149 8.283 ( 9.561 -11.393 8.438) 17.100 8.402 ( -13.729 3.194 -6.778) 15.640 9.526 ( -3.513 3.246 4.329) 6.451 9.586 ( 6.737 -2.155 -3.289) 7.801 9.951 ( 1.016 -10.030 8.120) 12.945 10.096 ( -8.978 -2.065 -10.287) 13.809 11.026 ( -6.337 -3.779 10.266) 12.642 11.162 ( 2.692 -3.310 -6.776) 8.008 11.548 ( -0.395 -1.481 0.391) 1.582 11.555 ( -6.875 -0.885 -0.541) 6.952 20.960 ( 4.477 -1.046 1.206) 4.753 20.982 ( -3.556 2.932 -1.624) 4.886 21.107 ( -0.868 -1.823 0.976) 2.243 21.120 ( -0.657 -1.479 -0.640) 1.740 24.851 ( 0.783 -0.482 0.469) 1.032 24.858 ( -0.957 0.183 -0.443) 1.070 32.555 ( 1.590 -0.052 0.335) 1.626 32.560 ( -1.003 1.038 -0.360) 1.488 43.879 ( -7.874 9.113 3.073) 12.429 43.935 ( 14.820 -2.273 -3.719) 15.447 45.725 ( -14.521 11.227 3.615) 18.708 45.787 ( 18.470 -4.564 -3.906) 19.423 ======================= Grid point 431 (161/231) ======================= q-point: (-0.15 0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.965 ( -26.998 -2.451 15.788) 31.371 5.410 ( 4.883 -18.129 -13.776) 23.287 5.841 ( -7.543 5.884 5.753) 11.163 5.993 ( -1.140 -8.067 -2.677) 8.576 6.535 ( 0.192 8.214 3.887) 9.089 6.758 ( 19.370 -0.882 -2.057) 19.499 7.440 ( -3.923 28.810 -15.347) 32.877 7.643 ( 13.488 8.013 8.576) 17.879 8.081 ( -18.038 -0.281 -8.768) 20.058 8.345 ( 7.885 -17.315 8.660) 20.904 9.443 ( -10.372 5.087 -0.182) 11.554 9.734 ( 13.235 -10.004 0.007) 16.590 9.886 ( -9.353 8.452 -8.687) 15.310 10.036 ( 9.827 1.287 6.741) 11.986 10.912 ( -7.714 -5.623 13.885) 16.850 11.069 ( 0.287 -7.149 -10.615) 12.801 11.496 ( -1.345 0.201 2.786) 3.100 11.561 ( 2.602 -6.019 0.303) 6.565 20.944 ( -3.177 2.649 -0.474) 4.164 21.033 ( 4.670 -1.631 0.660) 4.991 21.097 ( -0.007 -0.455 -0.161) 0.483 21.113 ( 1.781 0.068 -0.330) 1.813 24.842 ( -1.119 0.426 -0.155) 1.207 24.862 ( 0.856 -0.461 0.230) 0.999 32.545 ( -1.614 0.674 -0.002) 1.749 32.576 ( 1.213 -0.660 -0.124) 1.387 43.843 ( -8.432 7.919 3.986) 12.235 44.063 ( 7.447 -4.188 -6.993) 11.040 45.610 ( -15.316 11.544 7.637) 20.644 46.006 ( 17.307 -6.190 -7.999) 20.046 ======================= Grid point 440 (162/231) ======================= q-point: ( 0.54 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.751 ( 0.000 15.913 -9.649) 18.610 5.165 ( 0.000 -5.069 -8.617) 9.997 5.452 ( -0.000 25.193 16.747) 30.251 5.874 ( 0.000 -19.579 -6.045) 20.491 6.250 ( -0.000 24.443 15.088) 28.724 6.831 ( -0.000 3.491 15.444) 15.833 7.109 ( 0.000 -11.040 -11.654) 16.053 7.696 ( -0.000 -5.236 1.644) 5.488 7.883 ( 0.000 14.296 -9.777) 17.320 8.519 ( -0.000 -8.183 -0.785) 8.221 9.242 ( 0.000 7.420 -11.233) 13.462 9.630 ( -0.000 19.475 10.031) 21.907 9.855 ( -0.000 -23.863 12.560) 26.966 10.284 ( -0.000 -3.330 6.569) 7.365 11.028 ( 0.000 -2.972 -1.583) 3.367 11.269 ( 0.000 -3.892 -2.476) 4.613 11.353 ( 0.000 8.071 -1.558) 8.220 12.805 ( 0.000 -10.740 -14.050) 17.685 20.793 ( -0.000 -4.448 -0.844) 4.528 20.996 ( -0.000 -4.883 1.649) 5.154 21.313 ( 0.000 3.630 -2.481) 4.397 21.334 ( -0.000 -2.769 1.147) 2.997 24.833 ( -0.000 -1.578 1.575) 2.229 24.905 ( 0.000 -0.875 -0.659) 1.095 32.489 ( -0.000 0.184 0.166) 0.248 32.537 ( 0.000 1.500 -0.895) 1.747 43.007 ( -0.000 3.117 1.510) 3.464 44.070 ( -0.000 7.069 9.798) 12.081 44.881 ( 0.000 11.333 -4.620) 12.239 46.089 ( 0.000 14.545 -8.454) 16.824 ======================= Grid point 441 (163/231) ======================= q-point: ( 0.62 0.54 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.002 ( 17.450 12.735 -8.374) 23.169 5.195 ( 9.070 3.285 0.280) 9.651 5.593 ( 1.081 -14.179 -13.616) 19.688 5.825 ( 0.053 13.018 22.760) 26.220 6.409 ( -7.851 11.420 6.423) 15.274 6.871 ( -4.972 -6.100 9.776) 12.550 7.009 ( 1.239 3.070 -5.336) 6.279 7.624 ( -2.000 -6.504 -3.686) 7.739 7.875 ( -10.585 11.697 -4.472) 16.397 8.522 ( 8.519 -2.392 -1.731) 9.016 9.230 ( -2.179 5.921 -6.840) 9.305 9.715 ( 2.166 -22.244 12.605) 25.659 9.909 ( 7.622 11.234 3.246) 13.958 10.268 ( -0.950 -4.216 4.626) 6.330 10.999 ( 0.622 -1.434 -1.204) 1.972 11.227 ( -0.351 -3.633 -1.256) 3.860 11.408 ( -0.682 7.309 -2.284) 7.688 12.534 ( -12.532 -6.886 -13.944) 19.973 20.774 ( 2.125 -2.606 0.047) 3.363 20.973 ( 1.510 -3.949 0.653) 4.278 21.284 ( -3.318 -0.830 0.362) 3.440 21.315 ( -2.730 1.927 -1.196) 3.549 24.828 ( 0.187 -1.233 1.234) 1.755 24.893 ( -0.281 -0.368 -0.720) 0.856 32.494 ( 0.370 0.153 0.283) 0.491 32.552 ( 0.519 1.438 -0.785) 1.718 43.132 ( 10.261 2.189 2.080) 10.696 44.132 ( -5.465 5.898 9.917) 12.767 45.024 ( 9.688 5.275 -5.136) 12.168 46.149 ( -5.122 13.333 -3.247) 14.647 ======================= Grid point 442 (164/231) ======================= q-point: (-0.31 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.289 ( 15.742 -1.551 -7.666) 17.578 5.362 ( 4.127 -18.271 -13.246) 22.942 5.670 ( 26.002 17.324 6.795) 31.975 5.989 ( -6.478 3.079 14.309) 16.006 6.352 ( -4.469 3.033 2.658) 6.020 6.695 ( -11.220 -6.870 9.666) 16.325 7.161 ( 4.591 17.422 -4.366) 18.538 7.339 ( -19.062 -0.747 -8.059) 20.709 7.913 ( 5.659 -0.023 5.526) 7.909 8.644 ( 3.201 5.513 -4.579) 7.849 9.238 ( 3.096 0.659 -3.338) 4.600 9.643 ( 4.096 -16.019 12.218) 20.559 10.031 ( -2.256 2.745 -0.879) 3.660 10.228 ( 1.488 -7.752 -1.888) 8.116 11.022 ( 1.437 1.863 2.218) 3.234 11.169 ( -1.798 -3.828 0.222) 4.235 11.452 ( 0.891 4.473 -3.091) 5.509 12.154 ( -19.039 -2.116 -12.179) 22.699 20.809 ( 3.805 -1.263 0.905) 4.110 20.977 ( 2.243 -1.809 -0.348) 2.902 21.214 ( -3.982 -1.047 0.262) 4.126 21.258 ( -5.632 2.020 -0.581) 6.011 24.828 ( 0.501 -0.959 0.831) 1.365 24.882 ( -0.482 0.062 -0.645) 0.807 32.508 ( 0.999 -0.057 0.376) 1.069 32.570 ( 0.391 1.309 -0.580) 1.484 43.379 ( 15.895 0.695 1.373) 15.969 44.127 ( -6.994 5.810 8.143) 12.206 45.220 ( 14.388 -1.581 -4.521) 15.164 46.143 ( -9.706 12.402 1.417) 15.812 ======================= Grid point 443 (165/231) ======================= q-point: (-0.23 -0.46 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.138 ( 7.238 -24.624 -17.144) 30.865 5.531 ( 10.403 -1.762 0.854) 10.585 5.809 ( -10.194 -5.420 6.733) 13.366 6.175 ( -5.304 8.603 -1.747) 10.257 6.351 ( 11.781 -4.678 3.307) 13.100 6.771 ( 12.824 14.202 16.831) 25.484 6.949 ( -14.309 3.124 -5.397) 15.608 7.459 ( 3.694 22.685 -4.857) 23.492 8.022 ( 9.144 -11.361 7.721) 16.501 8.618 ( -9.563 3.992 -6.014) 11.982 9.320 ( 8.358 -1.624 -0.649) 8.539 9.687 ( 6.685 -5.762 10.326) 13.584 9.938 ( -9.093 0.573 0.728) 9.140 10.125 ( -2.062 -5.569 -8.318) 10.220 11.047 ( 0.533 -4.193 -5.505) 6.940 11.114 ( -2.174 -2.493 6.747) 7.514 11.487 ( 1.533 1.611 -3.068) 3.789 11.781 ( -17.303 0.280 -7.365) 18.808 20.876 ( 4.495 -0.747 1.097) 4.686 21.009 ( 1.927 1.637 -0.755) 2.638 21.144 ( -3.175 -0.689 -0.364) 3.270 21.170 ( -6.265 0.851 0.454) 6.339 24.834 ( 0.769 -0.816 0.451) 1.209 24.872 ( -0.658 0.349 -0.467) 0.879 32.528 ( 1.436 -0.496 0.296) 1.547 32.580 ( -0.307 1.063 -0.249) 1.134 43.649 ( 15.819 -1.161 -0.779) 15.880 44.102 ( -7.221 5.271 7.076) 11.402 45.418 ( 16.925 -5.892 -5.047) 18.618 46.086 ( -12.865 11.722 5.029) 18.116 ======================= Grid point 454 (166/231) ======================= q-point: (-0.38 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.962 ( 0.000 14.262 -4.212) 14.871 5.182 ( -0.000 7.607 7.335) 10.567 5.318 ( 0.000 -21.622 -15.529) 26.621 6.100 ( -0.000 14.125 23.272) 27.223 6.458 ( 0.000 -9.471 -10.239) 13.947 6.960 ( -0.000 -3.526 12.723) 13.202 6.985 ( -0.000 4.622 1.950) 5.017 7.578 ( 0.000 -4.517 -3.806) 5.906 8.142 ( 0.000 21.946 -8.922) 23.690 8.370 ( -0.000 -3.104 0.744) 3.192 9.290 ( 0.000 6.341 -8.613) 10.695 9.530 ( -0.000 -22.088 14.395) 26.365 9.889 ( -0.000 -3.927 -0.756) 4.000 10.275 ( -0.000 -3.173 4.673) 5.648 10.983 ( -0.000 1.613 0.414) 1.666 11.200 ( 0.000 -0.136 -3.329) 3.332 11.476 ( 0.000 5.563 -1.248) 5.701 12.510 ( 0.000 -2.407 -16.193) 16.371 20.742 ( -0.000 -0.487 0.458) 0.669 20.928 ( -0.000 -3.154 0.332) 3.172 21.297 ( -0.000 -2.073 0.795) 2.220 21.362 ( 0.000 3.474 -1.348) 3.726 24.820 ( -0.000 -1.252 1.046) 1.632 24.890 ( 0.000 -0.015 -0.726) 0.727 32.493 ( -0.000 -0.008 0.233) 0.233 32.556 ( 0.000 1.286 -0.600) 1.419 43.082 ( -0.000 1.828 3.758) 4.179 44.276 ( -0.000 1.106 14.470) 14.512 44.944 ( 0.000 2.893 -9.447) 9.880 46.313 ( 0.000 13.122 0.769) 13.144 ======================= Grid point 455 (167/231) ======================= q-point: (-0.31 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.983 ( 2.349 -20.365 -18.702) 27.749 5.169 ( 4.673 5.255 1.725) 7.240 5.493 ( 18.048 14.330 13.136) 26.526 6.162 ( -7.858 -10.606 0.125) 13.200 6.364 ( 1.825 1.389 5.433) 5.897 6.890 ( -8.872 -2.548 11.025) 14.379 7.112 ( 7.606 2.359 -1.336) 8.075 7.497 ( -3.841 -0.961 -4.082) 5.687 8.080 ( -14.736 11.568 0.219) 18.735 8.575 ( 10.603 11.767 -3.726) 16.272 9.255 ( -3.102 3.245 -5.499) 7.099 9.453 ( 4.767 -18.760 13.757) 23.747 9.856 ( 9.860 -14.867 -8.516) 19.767 10.239 ( -3.915 -1.746 4.380) 6.129 11.030 ( 1.128 2.475 1.871) 3.301 11.174 ( -1.459 0.037 -2.511) 2.904 11.497 ( -1.616 3.784 -1.586) 4.410 12.338 ( -11.248 3.894 -16.229) 20.126 20.767 ( 1.754 1.156 1.113) 2.377 20.922 ( 2.110 -1.373 -0.334) 2.539 21.260 ( -2.648 -1.398 0.313) 3.011 21.358 ( -3.553 2.859 -0.497) 4.587 24.815 ( 0.302 -1.180 0.755) 1.433 24.886 ( -0.206 0.270 -0.666) 0.748 32.496 ( 0.392 -0.221 0.244) 0.512 32.570 ( 0.546 1.105 -0.385) 1.291 43.193 ( 8.812 0.623 4.146) 9.759 44.309 ( -4.591 -0.243 13.491) 14.253 44.974 ( 8.514 -2.531 -8.712) 12.442 46.403 ( -5.370 12.478 3.933) 14.142 ======================= Grid point 456 (168/231) ======================= q-point: (-0.23 -0.38 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.699 ( 4.349 -27.152 -18.459) 33.119 5.344 ( 8.398 2.083 2.580) 9.029 5.865 ( -2.674 -18.125 -2.947) 18.557 6.084 ( 20.434 11.307 8.647) 24.903 6.364 ( -8.469 3.797 5.224) 10.650 6.849 ( -0.640 4.277 14.998) 15.609 7.158 ( -3.933 1.752 -7.113) 8.315 7.487 ( 4.694 5.025 -1.530) 7.045 7.980 ( -7.849 2.681 6.548) 10.567 8.728 ( -2.192 5.588 -5.776) 8.331 9.251 ( 1.814 3.393 -3.022) 4.892 9.483 ( 10.332 -14.248 12.678) 21.691 9.843 ( 10.876 -12.366 -11.861) 20.295 10.187 ( -5.842 4.835 4.911) 9.035 11.016 ( -2.857 -3.217 -4.385) 6.144 11.153 ( -0.900 0.843 2.567) 2.847 11.491 ( -1.082 1.957 -1.922) 2.949 12.053 ( -19.062 5.859 -13.814) 24.260 20.823 ( 2.694 1.436 1.214) 3.285 20.973 ( 3.829 2.118 -0.384) 4.393 21.195 ( -3.770 -0.765 -0.308) 3.859 21.295 ( -6.473 1.717 0.343) 6.706 24.815 ( 0.624 -1.095 0.424) 1.330 24.881 ( -0.368 0.440 -0.540) 0.788 32.504 ( 0.859 -0.582 0.220) 1.060 32.587 ( 0.420 0.869 -0.099) 0.970 43.399 ( 13.259 -1.003 2.698) 13.568 44.281 ( -5.725 -0.255 10.700) 12.138 45.071 ( 13.538 -7.274 -6.701) 16.766 46.417 ( -9.841 11.611 6.207) 16.438 ======================= Grid point 468 (169/231) ======================= q-point: (-0.31 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.641 ( 0.000 -25.959 -19.526) 32.483 5.277 ( -0.000 12.672 7.376) 14.662 5.497 ( -0.000 2.817 14.611) 14.880 6.013 ( 0.000 -12.405 -14.765) 19.284 6.464 ( -0.000 0.792 19.406) 19.422 6.986 ( -0.000 -7.147 11.927) 13.904 7.045 ( 0.000 4.683 -6.991) 8.414 7.484 ( 0.000 -0.980 -2.728) 2.898 8.462 ( -0.000 8.290 2.858) 8.769 8.497 ( 0.000 20.790 -5.274) 21.449 9.281 ( 0.000 2.096 -8.107) 8.374 9.296 ( -0.000 -21.249 11.413) 24.120 9.522 ( 0.000 -18.595 -8.805) 20.575 10.279 ( -0.000 -1.755 5.916) 6.171 11.048 ( -0.000 0.308 0.875) 0.928 11.176 ( 0.000 1.085 -3.945) 4.092 11.531 ( 0.000 1.093 -0.548) 1.223 12.429 ( 0.000 12.881 -17.433) 21.676 20.785 ( -0.000 3.759 1.663) 4.110 20.887 ( 0.000 -0.755 -0.857) 1.142 21.273 ( -0.000 -0.840 -0.108) 0.847 21.415 ( 0.000 2.641 0.201) 2.648 24.805 ( -0.000 -1.274 0.588) 1.403 24.887 ( 0.000 0.406 -0.671) 0.785 32.492 ( -0.000 -0.287 0.150) 0.324 32.573 ( 0.000 0.831 -0.163) 0.846 43.148 ( -0.000 -0.413 5.946) 5.960 44.402 ( -0.000 -5.153 17.051) 17.812 44.814 ( 0.000 -4.415 -11.789) 12.589 46.591 ( -0.000 11.949 5.744) 13.258 ======================= Grid point 469 (170/231) ======================= q-point: (-0.23 -0.31 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.290 ( 1.268 -29.019 -18.521) 34.449 5.307 ( -2.752 -12.520 2.088) 12.988 5.597 ( 9.911 -7.605 -1.841) 12.627 6.033 ( 5.677 11.481 8.279) 15.251 6.530 ( -1.600 0.053 13.339) 13.435 6.957 ( -1.000 -3.149 11.429) 11.897 7.103 ( 4.286 4.357 -8.220) 10.243 7.455 ( -2.050 -0.562 0.163) 2.132 8.331 ( -17.176 11.581 3.927) 21.085 8.711 ( 4.314 -4.867 -3.614) 7.440 9.131 ( 3.687 -15.512 -6.490) 17.215 9.328 ( 5.997 4.787 2.116) 7.960 9.487 ( 10.956 -6.855 -3.607) 13.418 10.301 ( -0.083 1.851 7.654) 7.875 11.004 ( -2.624 -4.677 -3.682) 6.505 11.171 ( 0.586 1.375 -2.416) 2.841 11.517 ( -1.244 -0.777 -0.137) 1.473 12.372 ( -14.565 16.952 -16.625) 27.855 20.832 ( 0.025 3.728 1.339) 3.961 20.925 ( 4.245 2.747 -0.444) 5.076 21.243 ( -2.666 -0.094 -0.658) 2.747 21.405 ( -4.091 1.722 0.943) 4.538 24.798 ( 0.358 -1.277 0.340) 1.369 24.887 ( -0.142 0.455 -0.628) 0.789 32.491 ( 0.242 -0.415 0.109) 0.493 32.585 ( 0.597 0.539 0.066) 0.807 43.234 ( 7.438 -1.839 5.801) 9.610 44.392 ( -3.703 -6.173 14.084) 15.817 44.771 ( 8.444 -8.471 -9.067) 15.009 46.687 ( -5.461 11.056 6.905) 14.133 ======================= Grid point 482 (171/231) ======================= q-point: (-0.23 -0.23 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 0.000 -30.901 -17.278) 35.404 5.002 ( 0.000 -38.993 -13.854) 41.381 5.599 ( -0.000 7.728 14.178) 16.148 6.169 ( -0.000 14.147 5.754) 15.273 6.549 ( -0.000 -10.148 14.813) 17.956 6.940 ( -0.000 -9.407 11.155) 14.592 7.086 ( 0.000 11.238 -14.021) 17.969 7.566 ( -0.000 9.259 7.872) 12.153 8.377 ( -0.000 -39.033 -3.262) 39.169 8.625 ( 0.000 5.249 0.734) 5.300 9.088 ( 0.000 14.893 -5.389) 15.838 9.236 ( 0.000 2.975 -8.282) 8.800 9.412 ( -0.000 1.311 6.141) 6.280 10.338 ( -0.000 -0.134 9.179) 9.180 10.960 ( 0.000 -6.337 -4.251) 7.631 11.148 ( 0.000 0.781 -5.076) 5.135 11.506 ( -0.000 -3.410 0.082) 3.411 12.619 ( 0.000 23.981 -16.878) 29.325 20.885 ( 0.000 1.988 -1.578) 2.538 20.913 ( -0.000 7.161 2.478) 7.578 21.266 ( 0.000 0.942 -1.212) 1.535 21.462 ( -0.000 1.143 1.746) 2.087 24.783 ( -0.000 -1.361 0.174) 1.372 24.889 ( 0.000 0.405 -0.671) 0.783 32.487 ( -0.000 -0.193 0.017) 0.194 32.583 ( -0.000 0.158 0.217) 0.268 43.183 ( -0.000 -3.179 7.461) 8.110 44.427 ( -0.000 -10.979 17.400) 20.575 44.552 ( 0.000 -9.458 -12.287) 15.506 46.872 ( -0.000 10.303 7.026) 12.470 ======================= Grid point 553 (172/231) ======================= q-point: ( 0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -0.000 -0.000 41.648) 41.648 1.981 ( -0.000 0.000 41.648) 41.648 2.981 ( -0.000 -0.000 64.811) 64.811 5.741 ( 0.000 0.000 -22.867) 22.867 5.741 ( 0.000 0.000 -22.867) 22.867 6.992 ( -0.000 -0.000 15.077) 15.077 6.992 ( -0.000 0.000 15.077) 15.077 8.182 ( -0.000 -0.000 6.527) 6.527 8.636 ( 0.000 0.000 -18.236) 18.236 8.828 ( 0.000 -0.000 -12.621) 12.621 8.828 ( 0.000 0.000 -12.621) 12.621 9.609 ( 0.000 0.000 -28.513) 28.513 10.106 ( -0.000 -0.000 10.517) 10.517 10.106 ( -0.000 0.000 10.517) 10.517 10.871 ( 0.000 -0.000 -2.227) 2.227 10.871 ( 0.000 0.000 -2.227) 2.227 12.029 ( -0.000 -0.000 21.281) 21.281 13.742 ( 0.000 0.000 -7.379) 7.379 21.291 ( -0.000 0.000 1.116) 1.116 21.291 ( -0.000 0.000 1.116) 1.116 21.467 ( 0.000 -0.000 -1.235) 1.235 21.467 ( 0.000 0.000 -1.235) 1.235 25.006 ( -0.000 -0.000 4.108) 4.108 25.443 ( 0.000 0.000 -4.997) 4.997 32.515 ( -0.000 -0.000 0.349) 0.349 32.560 ( 0.000 0.000 -0.367) 0.367 42.976 ( 0.000 -0.000 2.842) 2.842 42.976 ( 0.000 0.000 2.842) 2.842 43.390 ( 0.000 -0.000 -2.955) 2.955 43.390 ( 0.000 0.000 -2.955) 2.955 ======================= Grid point 554 (173/231) ======================= q-point: ( 0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.049 1.183 37.700) 37.774 2.444 ( 6.998 4.040 44.150) 44.883 3.840 ( 43.014 24.834 53.116) 72.721 5.499 ( -0.846 -0.489 -27.143) 27.160 5.896 ( 14.890 8.597 -21.469) 27.506 6.935 ( -7.197 -4.155 14.509) 16.720 7.090 ( -3.766 -2.174 15.865) 16.450 8.057 ( -9.031 -5.214 12.954) 16.630 8.527 ( -0.468 -0.270 -21.229) 21.236 8.616 ( -11.685 -6.747 -16.645) 21.427 8.808 ( 5.026 2.902 -12.977) 14.216 9.558 ( 6.381 3.684 -24.694) 25.770 10.120 ( -1.932 -1.116 9.305) 9.569 10.257 ( 6.353 3.668 12.942) 14.876 10.942 ( 4.591 2.651 -1.701) 5.568 10.975 ( 10.499 6.062 -5.116) 13.159 12.052 ( -7.459 -4.307 20.302) 22.054 13.555 ( -15.381 -8.880 -8.882) 19.858 21.230 ( -4.362 -2.519 0.743) 5.092 21.332 ( 1.957 1.130 1.412) 2.665 21.394 ( -3.716 -2.145 -1.830) 4.664 21.489 ( 0.200 0.115 -1.348) 1.368 25.017 ( -0.935 -0.540 3.737) 3.890 25.255 ( -11.817 -6.822 0.250) 13.647 32.501 ( -0.903 -0.522 0.307) 1.087 32.546 ( -0.999 -0.577 -0.395) 1.219 43.165 ( 9.176 5.298 5.710) 12.036 43.236 ( -1.952 -1.127 -6.095) 6.498 43.588 ( 47.477 27.411 -23.109) 59.493 43.660 ( 17.594 10.158 -0.211) 20.316 ======================= Grid point 555 (174/231) ======================= q-point: ( 0.38 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 17.610 10.167 28.255) 34.811 2.873 ( 12.975 7.491 40.324) 43.018 5.114 ( 46.450 26.818 40.507) 67.213 5.409 ( 5.701 3.292 -28.671) 29.417 6.172 ( 19.305 11.146 -18.905) 29.229 6.807 ( -11.432 -6.600 12.755) 18.356 7.051 ( -4.220 -2.436 14.160) 14.975 7.995 ( -4.395 -2.537 12.609) 13.591 8.249 ( -11.846 -6.840 -17.496) 22.209 8.400 ( -0.713 -0.412 -22.865) 22.879 8.890 ( 7.823 4.517 -10.399) 13.774 9.595 ( 7.621 4.400 -20.660) 22.456 10.119 ( -2.311 -1.334 8.810) 9.206 10.476 ( 5.526 3.190 14.758) 16.078 11.046 ( 5.178 2.989 -1.482) 6.160 11.171 ( 8.354 4.823 -4.135) 10.496 11.936 ( -11.353 -6.555 19.078) 23.148 12.984 ( -30.748 -17.752 -8.509) 36.510 21.118 ( -5.856 -3.381 0.612) 6.790 21.294 ( -4.211 -2.431 -1.893) 5.218 21.378 ( 0.700 0.404 0.786) 1.128 21.463 ( -1.040 -0.600 -1.725) 2.102 25.003 ( -1.717 -0.991 2.655) 3.314 25.032 ( -8.487 -4.900 2.924) 10.227 32.491 ( -0.004 -0.002 -0.254) 0.255 32.517 ( -1.335 -0.771 -0.375) 1.587 43.182 ( 0.818 0.472 -7.859) 7.915 43.435 ( 11.783 6.803 8.640) 16.118 44.136 ( 24.199 13.972 2.925) 28.096 44.432 ( 39.735 22.941 -39.922) 60.818 ======================= Grid point 556 (175/231) ======================= q-point: ( 0.46 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( 25.352 14.637 18.806) 34.795 3.427 ( 19.868 11.471 32.086) 39.444 5.467 ( 12.500 7.217 -25.338) 29.161 6.125 ( 25.467 14.703 24.110) 38.027 6.516 ( 17.355 10.020 -11.516) 23.113 6.543 ( -17.456 -10.078 9.187) 22.152 7.202 ( 15.937 9.201 14.540) 23.454 7.931 ( -6.654 -3.842 7.593) 10.803 7.953 ( -7.080 -4.088 -16.579) 18.485 8.259 ( -1.632 -0.942 -21.892) 21.973 9.021 ( 6.949 4.012 -7.969) 11.309 9.690 ( 9.613 5.550 -15.735) 19.256 10.115 ( -1.964 -1.134 9.490) 9.757 10.596 ( -1.925 -1.112 13.527) 13.708 11.117 ( 1.081 0.624 -2.872) 3.132 11.278 ( 1.745 1.008 0.675) 2.125 11.810 ( -7.879 -4.549 20.177) 22.134 12.208 ( -32.893 -18.991 -8.999) 39.033 20.989 ( -5.895 -3.403 0.431) 6.820 21.205 ( -2.690 -1.553 -1.183) 3.324 21.320 ( -5.173 -2.987 -0.314) 5.981 21.465 ( 0.988 0.571 -1.576) 1.946 24.910 ( -4.155 -2.399 2.553) 5.435 24.971 ( -2.036 -1.176 1.319) 2.696 32.490 ( -0.799 -0.461 -0.180) 0.940 32.496 ( 0.581 0.336 -0.742) 1.001 43.187 ( 3.438 1.985 -9.260) 10.075 43.760 ( 12.583 7.265 11.342) 18.433 44.722 ( 26.212 15.134 5.540) 30.770 44.906 ( 22.889 13.215 -39.775) 47.755 ======================= Grid point 557 (176/231) ======================= q-point: ( 0.54 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 27.432 15.838 11.102) 33.565 4.060 ( 24.172 13.956 23.190) 36.288 5.655 ( 9.568 5.524 -16.620) 19.958 6.220 ( -9.296 -5.367 3.713) 11.358 6.445 ( -0.215 -0.124 10.990) 10.992 6.820 ( 15.088 8.711 -8.025) 19.181 7.741 ( -5.269 -3.042 -15.496) 16.647 7.786 ( -5.610 -3.239 4.774) 8.047 7.867 ( 27.535 15.898 15.573) 35.404 8.103 ( -2.965 -1.712 -18.675) 18.986 9.014 ( -5.997 -3.463 -8.083) 10.644 9.833 ( 7.515 4.339 -7.544) 11.499 10.169 ( 3.092 1.785 10.347) 10.945 10.531 ( -7.831 -4.521 6.552) 11.167 11.058 ( -3.459 -1.997 -4.370) 5.920 11.199 ( -13.009 -7.511 9.219) 17.625 11.613 ( -11.734 -6.775 -12.274) 18.282 11.801 ( -4.074 -2.352 22.178) 22.671 20.871 ( -4.686 -2.705 0.016) 5.411 21.176 ( 0.442 0.255 0.106) 0.521 21.185 ( -6.548 -3.780 -0.430) 7.573 21.457 ( -1.000 -0.578 -1.909) 2.231 24.862 ( -1.459 -0.842 1.780) 2.451 24.931 ( -1.949 -1.125 0.198) 2.259 32.483 ( 0.227 0.131 0.193) 0.326 32.505 ( 0.546 0.315 -0.898) 1.097 43.227 ( 4.489 2.592 -9.981) 11.247 44.088 ( 10.987 6.343 13.472) 18.505 45.076 ( 10.962 6.329 -35.202) 37.409 45.319 ( 24.565 14.183 6.669) 29.139 ======================= Grid point 558 (177/231) ======================= q-point: ( 0.62 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.330 ( 25.096 14.489 5.751) 29.544 4.715 ( 26.143 15.094 14.530) 33.502 5.459 ( -17.990 -10.386 -1.098) 20.802 6.383 ( -8.642 -4.990 5.572) 11.429 6.424 ( 23.172 13.378 -10.666) 28.804 7.016 ( 3.526 2.036 -1.306) 4.276 7.546 ( -5.547 -3.203 -13.975) 15.373 7.665 ( -2.839 -1.639 -5.413) 6.328 7.952 ( -2.733 -1.578 -11.599) 12.020 8.474 ( 12.188 7.036 12.192) 18.619 8.729 ( -8.436 -4.870 -0.460) 9.751 9.860 ( -5.784 -3.339 5.033) 8.363 10.335 ( 6.190 3.574 4.444) 8.416 10.363 ( -7.434 -4.292 -8.056) 11.772 10.968 ( -7.256 -4.189 9.499) 12.666 10.987 ( 0.368 0.213 -3.330) 3.357 11.477 ( -0.591 -0.341 -5.906) 5.945 11.816 ( -5.195 -2.999 22.957) 23.728 20.791 ( -2.304 -1.330 -0.517) 2.710 21.042 ( -6.007 -3.468 -0.179) 6.939 21.224 ( 3.349 1.934 1.145) 4.033 21.404 ( -2.767 -1.598 -1.862) 3.698 24.855 ( -0.104 -0.060 1.195) 1.201 24.889 ( -1.710 -0.987 -0.491) 2.034 32.501 ( 1.151 0.665 0.568) 1.445 32.509 ( 0.152 0.088 -0.769) 0.789 43.271 ( 3.940 2.275 -10.053) 11.034 44.366 ( 7.252 4.187 14.748) 16.959 45.057 ( 3.204 1.850 -30.280) 30.505 45.856 ( 21.029 12.141 5.935) 24.997 ======================= Grid point 559 (178/231) ======================= q-point: (-0.31 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.730 ( -1.744 -1.007 7.448) 7.716 5.146 ( 0.961 0.555 -3.144) 3.334 5.343 ( 25.505 14.725 5.615) 29.981 6.109 ( -18.738 -10.818 4.562) 22.112 6.808 ( 13.720 7.921 -21.140) 26.418 6.989 ( -4.377 -2.527 1.732) 5.343 7.361 ( -5.198 -3.001 -11.808) 13.246 7.549 ( -5.921 -3.419 -4.018) 7.930 7.965 ( 9.712 5.607 2.525) 11.495 8.411 ( -1.179 -0.681 0.292) 1.393 8.960 ( 9.827 5.674 11.006) 15.808 9.663 ( -14.398 -8.313 10.491) 19.659 10.042 ( -16.954 -9.788 -14.632) 24.440 10.408 ( 0.883 0.510 -4.076) 4.201 11.001 ( 3.084 1.780 9.465) 10.113 11.044 ( 4.111 2.373 -3.281) 5.771 11.470 ( 1.386 0.800 -0.652) 1.728 11.861 ( 0.514 0.297 23.077) 23.085 20.769 ( 0.766 0.442 -1.139) 1.442 20.929 ( -4.047 -2.336 0.293) 4.682 21.320 ( 4.474 2.583 1.226) 5.309 21.328 ( -3.037 -1.754 -1.175) 3.699 24.851 ( -1.519 -0.877 -0.762) 1.912 24.864 ( 0.386 0.223 0.817) 0.931 32.504 ( -0.248 -0.143 -0.485) 0.563 32.535 ( 1.495 0.863 0.699) 1.862 43.289 ( 2.116 1.222 -9.580) 9.886 44.548 ( 2.175 1.256 14.979) 15.188 44.921 ( -2.195 -1.268 -25.725) 25.850 46.301 ( 17.075 9.858 3.511) 20.026 ======================= Grid point 560 (179/231) ======================= q-point: (-0.23 0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.390 ( -24.047 -13.883 12.389) 30.405 5.405 ( 15.339 8.856 -9.039) 19.885 5.623 ( -26.694 -15.412 5.695) 31.345 5.860 ( 18.752 10.826 -0.635) 21.662 6.780 ( -3.074 -1.775 -21.283) 21.577 6.922 ( -0.930 -0.537 6.616) 6.702 7.168 ( -7.192 -4.153 -11.061) 13.832 7.469 ( 1.199 0.692 -0.614) 1.515 8.402 ( 22.564 13.027 6.657) 26.892 8.498 ( 6.693 3.864 -1.131) 7.810 9.146 ( 3.073 1.774 8.794) 9.483 9.282 ( -28.416 -16.406 11.392) 34.733 9.590 ( -11.217 -6.476 -15.457) 20.166 10.382 ( -0.037 -0.021 -7.265) 7.265 11.050 ( -2.971 -1.715 0.758) 3.513 11.099 ( 1.639 0.946 5.923) 6.218 11.514 ( 1.386 0.800 1.672) 2.315 12.132 ( 13.638 7.874 20.064) 25.506 20.813 ( 3.818 2.204 -1.824) 4.771 20.873 ( -1.232 -0.711 0.914) 1.691 21.272 ( -1.580 -0.912 0.016) 1.825 21.415 ( 3.463 1.999 0.155) 4.002 24.815 ( -1.400 -0.809 -0.680) 1.754 24.877 ( 0.424 0.245 0.626) 0.795 32.495 ( -0.387 -0.224 -0.193) 0.487 32.568 ( 1.086 0.627 0.421) 1.323 43.261 ( -0.383 -0.221 -8.685) 8.696 44.612 ( -3.263 -1.884 14.121) 14.615 44.703 ( -6.322 -3.650 -21.467) 22.675 46.643 ( 13.241 7.645 -0.553) 15.300 ======================= Grid point 567 (180/231) ======================= q-point: ( 0.31 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.000 5.143 37.937) 38.284 2.888 ( -0.000 30.524 38.033) 48.767 3.974 ( -0.000 28.952 58.146) 64.955 5.302 ( 0.000 -6.629 -27.834) 28.612 5.814 ( 0.000 20.167 -24.945) 32.077 6.966 ( -0.000 -12.449 14.891) 19.409 7.258 ( -0.000 4.309 17.179) 17.711 8.121 ( -0.000 -10.970 13.058) 17.055 8.405 ( 0.000 0.438 -26.432) 26.436 8.503 ( 0.000 -15.718 -11.287) 19.351 8.687 ( 0.000 -1.476 -16.799) 16.864 9.432 ( 0.000 7.614 -23.460) 24.665 10.207 ( -0.000 1.196 10.497) 10.565 10.289 ( -0.000 4.393 11.733) 12.528 10.808 ( 0.000 0.033 -3.872) 3.872 11.021 ( 0.000 9.919 -2.323) 10.188 12.151 ( -0.000 -9.720 19.735) 21.999 13.626 ( 0.000 -0.794 -11.918) 11.944 21.259 ( -0.000 -2.433 0.566) 2.498 21.305 ( -0.000 -1.669 1.989) 2.597 21.383 ( 0.000 -4.726 -2.262) 5.240 21.483 ( 0.000 0.465 -0.858) 0.976 25.035 ( -0.000 -1.321 3.641) 3.873 25.254 ( -0.000 -11.946 -0.689) 11.966 32.504 ( -0.000 -1.096 0.370) 1.157 32.544 ( 0.000 -1.080 -0.414) 1.157 42.888 ( -0.000 -4.087 1.343) 4.302 43.283 ( 0.000 1.593 -4.714) 4.975 43.574 ( 0.000 17.775 -1.820) 17.868 43.781 ( 0.000 58.126 -13.177) 59.600 ======================= Grid point 568 (181/231) ======================= q-point: ( 0.38 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 5.913 20.175 31.311) 37.714 3.239 ( -10.305 27.393 40.130) 49.669 4.909 ( 35.826 28.861 44.670) 64.123 5.163 ( 6.199 0.328 -27.178) 27.878 5.951 ( 10.126 17.053 -25.633) 32.410 6.888 ( -3.251 -13.709 13.953) 19.829 7.284 ( -10.636 3.005 16.207) 19.617 7.996 ( -5.019 -13.446 3.555) 14.785 8.294 ( -0.394 2.775 -25.378) 25.532 8.370 ( -3.729 -0.518 -3.454) 5.110 8.588 ( 8.914 -9.301 -14.737) 19.574 9.455 ( 6.503 8.718 -21.910) 24.461 10.226 ( -4.430 1.650 10.102) 11.153 10.449 ( 6.160 0.568 12.986) 14.385 10.898 ( 10.143 1.603 -3.677) 10.907 11.110 ( 3.003 5.084 -1.602) 6.119 12.083 ( -5.948 -13.523 18.334) 23.545 13.339 ( -24.553 -2.800 -12.387) 27.643 21.190 ( -4.879 -1.997 0.267) 5.279 21.288 ( -1.507 -5.756 -1.181) 6.066 21.345 ( 2.892 -2.144 0.696) 3.667 21.467 ( -1.468 -1.012 -1.018) 2.053 25.027 ( -1.053 -1.936 2.740) 3.516 25.096 ( -5.243 -9.083 1.686) 10.623 32.493 ( -0.298 -0.411 0.087) 0.515 32.524 ( -0.786 -1.164 -0.420) 1.466 43.055 ( 18.130 -5.215 0.826) 18.884 43.259 ( -0.330 5.547 -5.427) 7.767 43.891 ( 17.456 16.564 0.313) 24.066 44.336 ( 9.019 54.367 -23.355) 59.855 ======================= Grid point 569 (182/231) ======================= q-point: ( 0.46 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( 10.532 30.332 23.049) 39.525 3.585 ( -0.218 22.668 37.278) 43.629 5.158 ( 13.129 2.750 -27.300) 30.418 5.990 ( 28.893 23.431 29.464) 47.455 6.209 ( 20.969 9.510 -18.801) 29.725 6.733 ( -9.342 -12.556 12.161) 19.819 7.212 ( -4.619 1.456 11.871) 12.820 7.812 ( -1.655 -10.294 -3.042) 10.861 8.177 ( -1.477 3.197 -23.495) 23.758 8.217 ( -14.274 5.826 -5.661) 16.424 8.721 ( 18.581 -7.726 -2.612) 20.292 9.565 ( 8.190 11.257 -20.356) 24.661 10.219 ( -4.181 1.963 9.678) 10.724 10.576 ( 4.422 -7.779 11.881) 14.874 11.063 ( 6.721 2.375 -2.059) 7.420 11.193 ( 5.132 -0.290 -1.651) 5.398 11.932 ( -6.027 -14.197 19.048) 24.510 12.702 ( -39.066 -3.462 -9.846) 40.436 21.078 ( -6.701 -1.261 0.161) 6.820 21.195 ( -1.410 -5.586 -1.365) 5.920 21.367 ( -1.160 -1.971 0.345) 2.313 21.417 ( 0.465 -2.756 -1.164) 3.027 24.959 ( -4.141 -4.935 2.361) 6.862 24.995 ( -1.720 -2.082 1.407) 3.045 32.489 ( -0.024 -0.006 -0.269) 0.270 32.500 ( -0.641 -0.291 -0.407) 0.813 43.173 ( -0.518 6.482 -5.402) 8.454 43.479 ( 23.538 -3.994 1.389) 23.915 44.408 ( 23.919 15.815 1.493) 28.713 44.798 ( 7.579 39.444 -25.791) 47.733 ======================= Grid point 570 (183/231) ======================= q-point: ( 0.54 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.694 ( 11.437 33.735 15.916) 39.014 4.049 ( 11.016 19.585 28.925) 36.627 5.363 ( 19.687 8.193 -20.740) 29.746 6.385 ( -7.276 -9.504 -1.371) 12.048 6.464 ( 6.666 4.043 1.590) 7.957 6.600 ( 6.883 1.789 4.401) 8.364 7.435 ( 17.482 -5.848 4.739) 19.033 7.785 ( 5.340 4.080 8.862) 11.122 7.979 ( -10.201 0.990 -11.315) 15.267 8.074 ( -3.348 5.519 -15.753) 17.025 8.916 ( 8.558 -1.599 -0.344) 8.713 9.715 ( 8.799 9.624 -15.964) 20.613 10.246 ( -1.655 4.584 8.857) 10.109 10.558 ( -1.088 -12.442 9.011) 15.400 11.066 ( -4.324 -2.970 -3.798) 6.476 11.253 ( 4.717 -3.524 -0.671) 5.926 11.825 ( -10.934 -10.318 14.856) 21.136 12.023 ( -27.038 -0.410 0.577) 27.047 20.955 ( -6.883 -0.499 -0.053) 6.901 21.137 ( 0.775 -4.383 -0.284) 4.460 21.269 ( -6.078 -1.916 -0.548) 6.396 21.417 ( 2.088 -3.770 -1.186) 4.470 24.887 ( -2.024 -2.207 1.992) 3.596 24.950 ( -1.860 -1.794 0.189) 2.591 32.484 ( -0.035 0.023 0.120) 0.127 32.500 ( 0.229 0.855 -0.761) 1.168 43.202 ( -0.547 8.857 -7.225) 11.443 43.849 ( 23.634 -4.961 4.225) 24.516 44.888 ( 11.956 18.245 -12.829) 25.306 45.144 ( 14.902 21.989 -7.566) 27.620 ======================= Grid point 571 (184/231) ======================= q-point: ( 0.62 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.262 ( 11.941 29.451 11.150) 33.679 4.603 ( 17.588 20.288 17.577) 32.092 5.588 ( -0.647 0.803 -6.678) 6.758 6.182 ( 5.774 1.632 -3.612) 7.003 6.491 ( -4.811 -5.110 6.314) 9.441 6.847 ( 17.842 4.264 -13.348) 22.687 7.433 ( 0.893 -12.189 -5.782) 13.520 7.648 ( -7.982 -14.101 -3.327) 16.541 7.950 ( -3.919 5.816 -13.759) 15.444 8.331 ( 19.256 8.336 12.863) 24.612 8.904 ( -9.740 4.151 -0.201) 10.589 9.874 ( 7.870 5.762 -6.633) 11.796 10.292 ( -3.152 -4.120 6.211) 8.093 10.441 ( -4.449 -1.724 -1.388) 4.969 10.920 ( -2.547 -4.991 -0.074) 5.603 11.246 ( -6.433 -0.366 4.266) 7.727 11.454 ( -12.753 -0.486 -5.527) 13.907 11.937 ( -1.387 -8.158 21.351) 22.899 20.850 ( -5.384 0.533 -0.379) 5.424 21.093 ( -3.419 -4.159 -0.215) 5.388 21.193 ( 0.682 -0.127 0.669) 0.964 21.388 ( 0.055 -4.357 -1.573) 4.632 24.863 ( -0.520 -0.749 1.456) 1.717 24.904 ( -1.700 -1.325 -0.582) 2.232 32.496 ( 0.772 0.826 0.531) 1.249 32.507 ( 0.048 0.792 -0.795) 1.123 43.245 ( -0.207 8.938 -7.733) 11.821 44.185 ( 19.725 -5.701 4.681) 21.059 45.015 ( -3.019 17.160 -19.448) 26.111 45.632 ( 22.253 11.321 4.020) 25.289 ======================= Grid point 572 (185/231) ======================= q-point: ( 0.69 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.738 ( 9.474 18.982 7.655) 22.553 5.145 ( 12.185 13.114 7.226) 19.304 5.333 ( -12.121 2.296 1.810) 12.468 6.319 ( -12.365 -7.729 5.061) 15.436 6.501 ( 19.449 9.240 -16.867) 27.352 7.013 ( 3.135 0.852 -3.692) 4.918 7.254 ( -0.753 -13.901 -9.783) 17.015 7.472 ( 5.056 -11.819 -1.324) 12.923 7.905 ( 0.206 5.499 -5.112) 7.512 8.512 ( -4.994 0.490 1.501) 5.238 8.936 ( 5.109 9.735 9.624) 14.611 9.902 ( -11.291 1.494 4.525) 12.255 10.118 ( -7.155 -7.841 -10.720) 15.086 10.349 ( -1.498 -4.652 -2.297) 5.400 10.967 ( 4.718 3.422 2.837) 6.482 11.129 ( -7.816 5.045 3.162) 9.825 11.390 ( 4.738 -3.767 -0.933) 6.125 11.947 ( -0.350 -7.961 21.301) 22.742 20.790 ( -2.680 1.732 -0.862) 3.305 20.984 ( -4.750 -2.109 -0.050) 5.197 21.256 ( 5.029 -0.322 1.292) 5.203 21.329 ( -1.041 -4.095 -1.262) 4.409 24.863 ( -1.362 -0.841 -0.699) 1.747 24.864 ( 0.071 -0.162 0.836) 0.854 32.508 ( -0.328 0.509 -0.611) 0.860 32.527 ( 1.237 1.282 0.741) 1.929 43.277 ( -1.085 8.030 -7.556) 11.079 44.422 ( 13.829 -7.124 1.592) 15.637 44.974 ( -8.480 12.792 -12.479) 19.780 46.089 ( 19.961 6.907 2.770) 21.304 ======================= Grid point 573 (186/231) ======================= q-point: (-0.23 0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.724 ( -21.841 -9.693 13.943) 27.666 5.221 ( 9.587 9.099 -4.650) 14.011 5.692 ( 12.039 23.852 -9.749) 28.441 5.993 ( -19.426 -10.860 13.359) 25.957 6.609 ( 4.727 -4.420 -19.662) 20.700 6.997 ( -1.286 -1.198 1.120) 2.085 7.125 ( -0.496 -4.022 -7.423) 8.457 7.471 ( 1.065 -2.477 -0.813) 2.816 8.070 ( 16.557 -0.596 1.626) 16.647 8.537 ( 3.357 11.456 1.659) 12.053 9.142 ( 5.074 2.713 8.173) 9.995 9.674 ( -13.859 -1.376 -3.372) 14.330 9.722 ( -26.672 -6.826 -1.848) 27.593 10.311 ( 2.976 -4.159 -4.997) 7.150 11.043 ( 0.725 -1.113 1.429) 1.951 11.131 ( 0.035 2.928 2.038) 3.568 11.469 ( 5.315 -0.512 1.976) 5.694 12.053 ( 9.313 -4.831 19.825) 22.430 20.787 ( 0.513 2.380 -1.437) 2.827 20.915 ( -2.663 0.837 0.516) 2.839 21.266 ( -0.469 -3.532 -0.455) 3.592 21.349 ( 5.098 -0.935 0.673) 5.227 24.828 ( -1.419 -0.586 -0.785) 1.725 24.875 ( 0.450 0.088 0.718) 0.851 32.501 ( -0.568 0.205 -0.337) 0.692 32.563 ( 1.015 1.238 0.543) 1.690 43.278 ( -2.990 6.684 -6.876) 10.045 44.502 ( 5.746 -7.731 -7.225) 12.041 44.875 ( -11.001 8.361 -0.168) 13.819 46.446 ( 16.499 3.696 -1.065) 16.942 ======================= Grid point 581 (187/231) ======================= q-point: ( 0.38 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( -0.000 26.761 29.288) 39.673 3.885 ( -0.000 34.467 33.766) 48.250 4.889 ( 0.000 0.529 -14.613) 14.623 5.179 ( -0.000 31.670 33.637) 46.200 5.863 ( 0.000 11.569 -31.067) 33.151 6.840 ( -0.000 -15.941 13.218) 20.708 7.511 ( -0.000 4.487 16.109) 16.723 8.041 ( -0.000 -11.045 6.595) 12.864 8.073 ( 0.000 -15.614 -9.032) 18.038 8.208 ( 0.000 7.410 -24.967) 26.043 8.549 ( 0.000 5.479 -8.643) 10.233 9.341 ( 0.000 5.968 -20.750) 21.591 10.342 ( -0.000 -0.463 11.893) 11.902 10.473 ( -0.000 1.219 11.474) 11.538 10.815 ( 0.000 5.872 -4.177) 7.207 11.112 ( -0.000 0.577 0.612) 0.842 12.063 ( -0.000 -18.404 15.519) 24.074 13.465 ( 0.000 -0.994 -16.787) 16.817 21.207 ( 0.000 -4.116 -1.417) 4.353 21.257 ( 0.000 -4.241 -1.590) 4.530 21.272 ( -0.000 -4.226 2.696) 5.013 21.468 ( 0.000 -1.201 -0.464) 1.288 25.027 ( -0.000 -2.696 2.139) 3.442 25.055 ( -0.000 -9.063 1.791) 9.238 32.492 ( -0.000 -0.272 0.004) 0.272 32.516 ( 0.000 -1.300 -0.419) 1.366 42.857 ( -0.000 -0.423 0.871) 0.969 43.355 ( 0.000 9.806 -2.447) 10.107 43.900 ( 0.000 18.919 -0.816) 18.937 44.678 ( 0.000 51.096 -22.058) 55.654 ======================= Grid point 582 (188/231) ======================= q-point: ( 0.46 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.382 ( 6.851 32.725 24.145) 41.242 4.215 ( -15.721 33.253 34.534) 50.453 4.856 ( 8.600 3.653 -26.339) 27.948 5.856 ( 11.580 2.566 -31.152) 33.334 5.943 ( 25.415 27.429 36.651) 52.360 6.732 ( -1.451 -16.455 11.652) 20.215 7.470 ( -17.383 -1.232 8.219) 19.267 7.753 ( -1.796 -7.686 -0.651) 7.920 8.116 ( 2.495 2.485 -20.914) 21.209 8.261 ( 7.627 -3.359 -12.171) 14.751 8.553 ( -2.245 12.467 7.988) 14.976 9.383 ( 9.896 6.105 -20.066) 23.192 10.360 ( -3.365 -0.609 11.140) 11.653 10.513 ( 0.334 -5.056 8.993) 10.322 10.950 ( 7.873 5.295 -1.400) 9.591 11.130 ( 2.273 -1.302 1.096) 2.839 11.923 ( -2.370 -19.992 13.927) 24.480 13.156 ( -23.636 -1.913 -16.001) 28.606 21.133 ( -0.734 -6.330 -1.772) 6.614 21.174 ( -4.607 -1.634 -0.524) 4.916 21.291 ( 3.760 -4.511 1.589) 6.083 21.431 ( -2.519 -1.892 -0.434) 3.180 24.970 ( -2.101 -6.150 2.189) 6.858 25.000 ( -0.921 -2.852 1.059) 3.179 32.490 ( -0.117 0.078 -0.217) 0.259 32.500 ( -0.182 -0.564 -0.410) 0.721 43.012 ( 16.546 -0.794 0.822) 16.585 43.386 ( -5.934 12.535 -2.794) 14.147 44.242 ( 17.126 18.284 1.744) 25.112 45.014 ( 0.348 40.774 -22.022) 46.343 ======================= Grid point 583 (189/231) ======================= q-point: ( 0.54 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.974 ( 10.165 36.999 18.505) 42.599 4.451 ( -11.813 30.059 31.023) 44.783 5.009 ( 18.107 9.096 -21.204) 29.329 5.970 ( 21.455 -3.058 -29.615) 36.698 6.516 ( -0.779 -7.392 14.715) 16.486 6.703 ( 0.931 0.066 20.781) 20.802 7.222 ( 0.746 -4.244 -2.429) 4.947 7.772 ( 4.615 -0.381 7.857) 9.120 8.001 ( -5.221 -2.731 -21.017) 21.827 8.176 ( -6.593 8.055 -8.360) 13.351 8.827 ( 9.424 12.577 10.872) 19.110 9.531 ( 11.550 6.109 -18.179) 22.387 10.362 ( -2.176 1.073 8.771) 9.100 10.488 ( 0.159 -10.067 7.811) 12.743 11.058 ( 3.229 -1.407 -1.884) 3.995 11.146 ( -0.226 -1.928 -1.944) 2.747 11.817 ( 2.655 -16.807 17.332) 24.288 12.566 ( -34.631 -0.722 -11.939) 36.639 21.067 ( 0.404 -5.013 -0.842) 5.099 21.070 ( -5.950 -0.711 -0.707) 6.034 21.310 ( 2.431 -4.807 0.759) 5.440 21.349 ( -3.802 -2.693 -0.667) 4.707 24.903 ( -1.707 -3.323 2.065) 4.268 24.958 ( -1.370 -2.385 -0.021) 2.751 32.485 ( -0.053 -0.034 0.082) 0.104 32.502 ( 0.242 0.931 -0.729) 1.206 43.295 ( 7.992 5.800 1.101) 9.936 43.442 ( 9.867 5.586 -4.872) 12.341 44.753 ( 21.100 15.470 5.010) 26.639 45.232 ( -1.290 29.709 -19.197) 35.395 ======================= Grid point 584 (190/231) ======================= q-point: ( 0.62 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.573 ( 5.746 40.698 12.595) 42.988 4.737 ( -0.523 23.307 24.130) 33.552 5.385 ( 22.119 12.158 -12.327) 28.090 6.128 ( 12.170 -7.027 -16.732) 21.850 6.395 ( -0.270 -6.059 -0.874) 6.128 6.623 ( -2.513 -7.089 4.159) 8.595 7.275 ( 3.111 -10.493 1.737) 11.081 7.631 ( -11.267 -15.505 -10.368) 21.791 8.055 ( 3.149 10.412 0.358) 10.883 8.176 ( 6.921 8.100 0.317) 10.659 9.100 ( -0.747 14.462 7.354) 16.242 9.677 ( 12.151 1.467 -11.059) 16.496 10.362 ( -4.327 -4.631 5.089) 8.128 10.449 ( 1.207 -2.567 2.724) 3.933 10.971 ( -7.174 -0.821 -2.077) 7.514 11.138 ( 5.809 -5.906 -2.245) 8.583 11.810 ( -7.158 -8.551 14.025) 17.918 11.994 ( -19.764 -3.437 -1.392) 20.109 20.961 ( -6.714 1.389 -0.761) 6.899 21.048 ( 2.500 -4.633 0.248) 5.270 21.232 ( -5.039 -1.707 -0.140) 5.322 21.312 ( 2.113 -5.804 -0.579) 6.204 24.871 ( -0.685 -1.499 1.632) 2.320 24.913 ( -1.416 -1.623 -0.721) 2.272 32.495 ( 0.650 0.710 0.497) 1.083 32.512 ( 0.107 1.223 -0.868) 1.504 43.371 ( -4.890 13.933 -2.940) 15.056 43.759 ( 23.868 -3.694 -2.438) 24.275 45.174 ( 3.416 17.685 -1.769) 18.099 45.421 ( 12.782 14.220 -6.424) 20.170 ======================= Grid point 585 (191/231) ======================= q-point: ( 0.69 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.969 ( -3.735 27.948 13.853) 31.416 5.183 ( 10.495 24.835 10.404) 28.899 5.563 ( -8.411 1.108 0.185) 8.486 6.189 ( 12.945 4.914 -14.130) 19.784 6.384 ( 2.499 -5.571 -0.488) 6.125 6.762 ( 22.725 2.084 -9.956) 24.898 7.106 ( -6.869 -16.051 -6.035) 18.472 7.280 ( -2.576 -20.641 3.131) 21.036 8.043 ( -8.775 12.708 -6.425) 16.726 8.462 ( 11.610 -0.904 5.792) 13.006 9.143 ( -9.881 12.732 4.744) 16.800 9.869 ( 14.018 -2.136 -3.838) 14.690 10.182 ( -12.972 -5.926 0.538) 14.271 10.374 ( -5.639 -4.575 -4.630) 8.612 10.968 ( 2.219 6.631 1.611) 7.175 11.177 ( 6.112 -5.633 0.774) 8.348 11.482 ( -19.537 3.121 -0.024) 19.785 11.918 ( 3.117 -13.913 15.908) 21.362 20.875 ( -5.297 2.501 -0.959) 5.936 21.026 ( -1.870 -2.900 0.321) 3.465 21.184 ( 1.863 -1.574 0.711) 2.540 21.277 ( 0.805 -5.541 -0.849) 5.663 24.864 ( 0.085 -0.564 1.156) 1.289 24.874 ( -1.326 -0.899 -0.956) 1.865 32.518 ( -0.315 1.112 -0.769) 1.388 32.523 ( 1.210 1.206 0.759) 1.869 43.403 ( -5.092 13.460 -3.765) 14.875 44.069 ( 19.614 -4.773 -3.785) 20.538 45.228 ( -9.685 16.140 -4.944) 19.461 45.814 ( 20.845 4.592 1.515) 21.398 ======================= Grid point 586 (192/231) ======================= q-point: (-0.23 0.38 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.076 ( -18.504 -0.878 14.653) 23.619 5.274 ( -5.006 10.291 2.473) 11.708 5.752 ( 9.069 30.038 -1.805) 31.429 6.154 ( -4.696 -11.346 -4.938) 13.235 6.421 ( 0.504 -1.045 -10.209) 10.275 6.869 ( 3.369 -8.487 -11.833) 14.947 7.074 ( 6.881 -2.931 8.038) 10.980 7.272 ( 17.952 -3.544 -1.252) 18.341 7.992 ( -4.631 6.771 -4.451) 9.333 8.585 ( 3.031 2.888 3.367) 5.372 9.168 ( -1.253 6.787 5.129) 8.599 9.838 ( -14.179 -4.979 -11.932) 19.188 9.998 ( -2.574 -0.548 3.507) 4.384 10.203 ( -3.909 -7.692 0.222) 8.631 11.037 ( -0.018 0.219 1.367) 1.385 11.182 ( -2.828 0.150 -1.872) 3.395 11.395 ( 3.494 2.259 4.410) 6.063 11.936 ( 5.989 -12.885 15.145) 20.767 20.827 ( -2.938 3.022 -1.310) 4.413 20.970 ( -2.549 0.519 0.485) 2.646 21.217 ( 1.777 -4.152 -0.108) 4.518 21.251 ( 3.917 -3.457 0.362) 5.237 24.842 ( -1.288 -0.370 -0.824) 1.573 24.871 ( 0.452 -0.192 0.768) 0.912 32.514 ( -0.749 0.805 -0.511) 1.213 32.560 ( 1.203 1.218 0.644) 1.829 43.416 ( -5.944 12.176 -3.551) 14.007 44.256 ( 11.772 -5.042 -7.177) 14.681 45.166 ( -12.046 11.543 1.071) 16.718 46.167 ( 18.575 0.388 -1.088) 18.610 ======================= Grid point 595 (193/231) ======================= q-point: ( 0.46 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( -0.000 32.849 19.415) 38.158 4.716 ( 0.000 8.817 -21.070) 22.840 4.878 ( -0.000 34.191 30.072) 45.534 5.584 ( 0.000 -2.748 -33.963) 34.074 6.149 ( -0.000 24.995 35.561) 43.467 6.620 ( -0.000 -19.432 8.755) 21.313 7.671 ( 0.000 -14.205 -11.749) 18.434 7.750 ( -0.000 2.513 11.763) 12.029 7.832 ( 0.000 -7.515 -7.348) 10.510 8.255 ( 0.000 17.649 -13.945) 22.494 8.772 ( -0.000 16.426 8.133) 18.329 9.221 ( 0.000 2.503 -18.182) 18.353 10.402 ( -0.000 -4.291 8.948) 9.923 10.524 ( -0.000 -9.154 10.836) 14.185 10.956 ( 0.000 10.498 -0.366) 10.504 11.096 ( -0.000 -2.214 1.628) 2.749 11.792 ( -0.000 -21.775 8.214) 23.272 13.230 ( 0.000 -4.372 -19.084) 19.578 21.055 ( 0.000 -7.792 -2.114) 8.073 21.204 ( -0.000 -5.787 2.887) 6.467 21.223 ( 0.000 0.714 -1.632) 1.781 21.433 ( -0.000 -2.157 0.174) 2.164 24.941 ( -0.000 -5.332 2.186) 5.762 24.983 ( -0.000 -3.031 0.353) 3.051 32.492 ( 0.000 -0.656 -0.258) 0.705 32.493 ( 0.000 0.620 -0.439) 0.760 42.883 ( -0.000 2.055 0.918) 2.250 43.596 ( -0.000 13.969 4.205) 14.588 44.262 ( 0.000 19.769 -1.940) 19.864 45.275 ( 0.000 35.063 -19.506) 40.123 ======================= Grid point 596 (194/231) ======================= q-point: ( 0.54 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( 10.554 30.578 11.476) 34.323 4.806 ( 6.556 16.655 -13.577) 22.466 5.184 ( -15.728 32.268 28.858) 46.059 5.481 ( 11.897 -4.040 -29.467) 32.034 6.463 ( -0.009 -18.668 7.044) 19.953 6.700 ( 16.090 11.904 27.791) 34.248 7.300 ( -15.942 -8.496 -11.946) 21.657 7.710 ( 1.670 -4.911 2.591) 5.798 7.903 ( 2.759 -3.828 -7.959) 9.253 8.343 ( -3.777 16.671 -8.040) 18.890 8.956 ( 0.067 15.943 10.861) 19.290 9.296 ( 12.464 6.217 -14.138) 19.847 10.395 ( -0.476 -5.942 8.268) 10.193 10.451 ( -1.061 -11.715 8.391) 14.449 11.016 ( -0.920 2.455 -0.765) 2.732 11.147 ( 2.127 2.952 0.489) 3.671 11.646 ( 3.513 -19.437 7.576) 21.155 12.916 ( -18.995 -5.112 -17.713) 26.471 20.979 ( 0.984 -7.125 -1.305) 7.310 21.149 ( -2.602 -2.283 0.058) 3.463 21.226 ( 1.123 -2.180 0.233) 2.463 21.389 ( -2.878 -2.366 0.312) 3.739 24.901 ( -0.783 -3.585 2.060) 4.208 24.949 ( -0.654 -2.529 -0.400) 2.642 32.486 ( -0.058 -0.066 0.013) 0.089 32.502 ( 0.385 1.006 -0.705) 1.288 43.030 ( 13.768 1.715 0.873) 13.902 43.664 ( -9.444 15.141 3.892) 18.265 44.594 ( 16.863 16.414 0.764) 23.545 45.462 ( -2.793 28.028 -16.260) 32.523 ======================= Grid point 597 (195/231) ======================= q-point: ( 0.62 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.792 ( 17.109 28.556 9.394) 34.589 5.094 ( 12.997 21.834 -10.294) 27.416 5.360 ( -15.058 29.833 26.302) 42.527 5.592 ( 21.574 -3.359 -23.737) 32.251 6.333 ( 2.215 -17.622 5.809) 18.687 6.773 ( -18.593 -4.967 -0.179) 19.246 7.153 ( 4.859 -6.805 6.525) 10.606 7.636 ( -10.057 -7.435 -12.136) 17.427 7.903 ( 13.205 -1.415 6.059) 14.597 8.360 ( -7.571 14.832 -5.742) 17.615 9.221 ( 10.019 9.732 7.599) 15.901 9.490 ( 5.180 9.753 -7.562) 13.384 10.351 ( 1.050 -11.805 6.401) 13.470 10.400 ( 0.901 -5.264 4.905) 7.251 11.019 ( 1.734 -0.631 -3.065) 3.578 11.103 ( -7.956 2.132 -1.673) 8.405 11.658 ( 10.192 -15.400 11.115) 21.554 12.396 ( -27.049 -3.454 -13.602) 30.472 20.948 ( 3.037 -5.591 -0.000) 6.363 21.073 ( -4.910 0.291 -1.262) 5.078 21.221 ( 1.572 -4.123 0.449) 4.436 21.301 ( -4.964 -2.209 0.178) 5.436 24.873 ( -0.526 -2.026 1.709) 2.702 24.912 ( -0.932 -1.650 -0.890) 2.094 32.493 ( 0.551 0.470 0.410) 0.832 32.516 ( 0.374 1.396 -0.896) 1.701 43.335 ( 20.203 0.465 0.368) 20.212 43.661 ( -9.619 15.585 1.299) 18.360 45.057 ( 20.583 10.254 4.096) 23.357 45.551 ( -6.053 21.672 -11.968) 25.486 ======================= Grid point 598 (196/231) ======================= q-point: ( 0.69 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.330 ( 7.393 23.184 12.699) 27.449 5.469 ( 1.782 28.650 0.215) 28.706 5.549 ( 1.622 10.835 10.346) 15.069 5.845 ( 23.225 -0.957 -21.123) 31.409 6.306 ( 6.424 -6.236 9.469) 13.031 6.471 ( -5.585 0.933 -9.152) 10.762 7.083 ( -2.476 -15.551 6.437) 17.011 7.228 ( -16.347 -13.236 -10.246) 23.396 8.214 ( 15.514 -0.535 7.726) 17.340 8.326 ( -7.833 12.632 -6.735) 16.319 9.462 ( -4.790 11.687 6.961) 14.422 9.561 ( 10.469 -3.328 -5.544) 12.305 10.276 ( -2.015 -9.485 5.576) 11.185 10.357 ( -3.251 -5.814 -4.436) 8.003 11.025 ( 2.162 1.938 1.801) 3.416 11.059 ( -0.134 3.981 -2.056) 4.483 11.723 ( 6.891 -14.859 11.036) 19.750 11.880 ( -23.242 -1.993 -8.684) 24.891 20.965 ( 2.866 -3.464 1.351) 4.695 20.990 ( -4.410 1.260 -1.828) 4.937 21.199 ( -2.717 -2.533 0.430) 3.739 21.205 ( -0.533 -3.775 -0.329) 3.827 24.862 ( 0.024 -1.040 1.247) 1.624 24.880 ( -0.992 -0.783 -1.009) 1.617 32.517 ( 1.213 0.791 0.709) 1.612 32.529 ( -0.012 1.500 -0.873) 1.736 43.643 ( -1.404 11.565 2.579) 11.932 43.693 ( 13.276 2.716 -3.743) 14.059 45.469 ( 12.317 7.830 5.492) 15.594 45.573 ( -1.461 12.772 -8.110) 15.199 ======================= Grid point 599 (197/231) ======================= q-point: ( 0.77 0.46 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( -18.775 -0.302 15.490) 24.342 5.531 ( -7.570 13.018 3.776) 15.525 5.837 ( 12.691 18.570 -2.564) 22.639 5.935 ( 6.795 -11.255 -10.333) 16.722 6.446 ( -0.036 16.790 -6.946) 18.171 6.700 ( 7.203 -6.411 -8.349) 12.755 6.903 ( 14.003 7.380 3.183) 16.145 6.964 ( 2.749 -15.602 4.728) 16.533 8.218 ( -12.614 10.496 -5.464) 17.295 8.475 ( 11.830 -3.839 5.116) 13.449 9.392 ( -12.438 9.074 2.880) 15.663 9.714 ( 12.331 -8.098 -4.135) 15.320 10.090 ( -12.862 -3.404 -3.620) 13.789 10.215 ( -1.349 -10.015 2.773) 10.479 11.073 ( -1.790 3.783 -0.667) 4.238 11.148 ( 4.854 -0.192 0.804) 4.924 11.520 ( -12.815 1.801 -0.984) 12.978 11.754 ( 7.028 -15.358 8.313) 18.825 20.916 ( -4.732 2.967 -1.455) 5.772 20.992 ( 1.145 -1.536 1.252) 2.288 21.150 ( 0.630 -2.270 0.329) 2.379 21.174 ( 0.974 -4.296 -0.355) 4.419 24.854 ( -1.028 -0.142 -0.822) 1.324 24.864 ( 0.432 -0.565 0.800) 1.070 32.534 ( -0.617 1.335 -0.638) 1.603 32.551 ( 1.459 0.715 0.682) 1.762 43.658 ( -8.493 14.379 0.488) 16.707 43.958 ( 15.971 -2.361 -4.368) 16.725 45.496 ( -12.289 13.991 0.975) 18.647 45.840 ( 19.152 -2.034 -0.951) 19.283 ======================= Grid point 609 (198/231) ======================= q-point: ( 0.54 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.345 ( 0.000 20.495 -8.266) 22.099 4.987 ( -0.000 28.829 7.660) 29.830 5.171 ( 0.000 -3.561 -23.402) 23.671 5.810 ( -0.000 31.038 23.573) 38.975 6.268 ( -0.000 -22.803 1.813) 22.875 6.807 ( -0.000 10.256 25.832) 27.794 7.265 ( 0.000 -12.490 -15.656) 20.028 7.690 ( 0.000 1.775 -6.802) 7.030 7.820 ( -0.000 -5.233 5.555) 7.632 8.498 ( 0.000 13.519 -4.244) 14.170 9.071 ( 0.000 1.069 -15.252) 15.289 9.270 ( -0.000 22.447 12.527) 25.706 10.347 ( -0.000 -19.893 10.776) 22.624 10.391 ( -0.000 -3.963 5.122) 6.476 11.069 ( 0.000 -1.959 -0.449) 2.010 11.163 ( -0.000 9.254 2.155) 9.501 11.456 ( -0.000 -16.025 -0.229) 16.027 12.906 ( 0.000 -8.071 -19.970) 21.539 20.895 ( -0.000 -6.715 -1.289) 6.838 21.115 ( -0.000 -6.285 2.368) 6.716 21.236 ( 0.000 2.691 -2.307) 3.545 21.393 ( -0.000 -2.615 0.953) 2.783 24.885 ( -0.000 -3.031 1.943) 3.601 24.929 ( 0.000 -2.102 -0.794) 2.247 32.486 ( -0.000 0.067 0.058) 0.089 32.505 ( 0.000 1.229 -0.747) 1.438 42.951 ( -0.000 3.395 2.006) 3.943 43.941 ( -0.000 12.430 12.086) 17.337 44.582 ( 0.000 16.843 -5.274) 17.650 45.664 ( 0.000 24.455 -12.548) 27.486 ======================= Grid point 610 (199/231) ======================= q-point: ( 0.62 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.632 ( 18.803 19.125 -10.673) 28.866 5.113 ( 6.761 4.034 -13.801) 15.889 5.367 ( 4.866 25.235 7.058) 26.652 5.977 ( -10.806 3.743 12.305) 16.798 6.169 ( -0.306 2.007 11.430) 11.609 6.987 ( -10.547 -4.417 -7.318) 13.575 7.051 ( 4.237 -5.263 11.635) 13.454 7.683 ( -1.454 5.222 -3.003) 6.197 7.758 ( -0.953 -8.202 -1.411) 8.377 8.544 ( -2.756 5.977 -1.563) 6.765 9.075 ( 6.964 2.994 -9.470) 12.130 9.603 ( 4.761 21.139 8.202) 23.169 10.206 ( 1.138 -20.797 9.898) 23.061 10.374 ( -0.291 -4.252 3.976) 5.829 11.009 ( -2.089 -0.599 -3.486) 4.108 11.247 ( -4.534 5.828 0.597) 7.408 11.383 ( 9.215 -11.859 1.161) 15.063 12.602 ( -14.001 -7.658 -18.653) 24.548 20.850 ( 2.120 -5.256 -0.443) 5.684 21.073 ( 0.435 -5.550 1.140) 5.682 21.230 ( -2.433 2.707 -1.756) 4.041 21.349 ( -2.909 -2.571 0.974) 4.003 24.867 ( -0.202 -2.162 1.666) 2.737 24.904 ( -0.410 -1.318 -1.027) 1.720 32.491 ( 0.310 0.306 0.313) 0.537 32.518 ( 0.452 1.472 -0.864) 1.766 43.092 ( 11.150 2.925 2.311) 11.757 44.008 ( -10.857 12.543 9.916) 19.327 44.850 ( 15.767 10.586 -2.547) 19.161 45.794 ( -4.115 21.004 -8.135) 22.897 ======================= Grid point 611 (200/231) ======================= q-point: ( 0.69 0.54 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.174 ( 28.981 11.625 -11.157) 33.159 5.306 ( 16.207 12.902 -6.085) 21.591 5.598 ( 2.414 1.464 -3.894) 4.810 5.941 ( -3.233 6.233 16.066) 17.533 6.262 ( -5.044 9.310 12.936) 16.717 6.750 ( -13.647 12.581 -4.880) 19.192 6.986 ( -3.692 -15.808 6.977) 17.669 7.394 ( -18.933 -7.371 -9.902) 22.601 7.946 ( 16.274 -0.563 6.202) 17.425 8.532 ( -4.707 7.301 -3.703) 9.443 9.222 ( 13.207 -1.926 -4.944) 14.233 9.792 ( -7.422 11.795 6.012) 15.177 10.126 ( 5.514 -16.108 5.811) 17.990 10.343 ( -0.566 -4.891 1.136) 5.053 10.990 ( 1.433 1.885 -1.280) 2.692 11.186 ( -6.100 4.586 -0.640) 7.659 11.465 ( 10.076 -10.623 1.983) 14.775 12.163 ( -19.753 -4.976 -14.835) 25.200 20.862 ( 4.241 -3.668 0.685) 5.649 21.032 ( -0.494 -3.349 -0.412) 3.410 21.195 ( -3.153 1.401 -0.782) 3.538 21.265 ( -4.723 -2.021 0.622) 5.174 24.856 ( 0.042 -1.417 1.263) 1.899 24.881 ( -0.600 -0.511 -1.019) 1.288 32.507 ( 0.974 0.366 0.585) 1.193 32.536 ( 0.414 1.648 -0.875) 1.911 43.364 ( 16.854 1.545 1.448) 16.986 43.983 ( -11.245 13.074 6.207) 18.328 45.199 ( 18.652 2.459 -0.137) 18.814 45.848 ( -8.171 18.096 -3.358) 20.137 ======================= Grid point 623 (201/231) ======================= q-point: ( 0.62 0.62 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.595 ( 0.000 19.600 -10.159) 22.076 5.034 ( 0.000 8.017 -8.253) 11.506 5.550 ( 0.000 2.402 -3.338) 4.113 5.954 ( -0.000 1.215 15.438) 15.486 6.467 ( -0.000 10.324 10.761) 14.913 6.935 ( 0.000 -2.660 -8.589) 8.992 7.091 ( -0.000 -1.947 17.102) 17.213 7.690 ( 0.000 -8.750 -2.295) 9.046 7.778 ( 0.000 11.796 -3.207) 12.224 8.525 ( -0.000 -8.944 1.598) 9.085 9.046 ( 0.000 12.137 -13.751) 18.341 9.772 ( -0.000 14.174 7.983) 16.267 10.047 ( -0.000 -21.718 12.089) 24.856 10.364 ( -0.000 -3.314 3.297) 4.675 10.998 ( 0.000 -3.106 -2.167) 3.787 11.208 ( 0.000 -4.508 -5.359) 7.003 11.352 ( -0.000 6.322 1.493) 6.496 12.532 ( 0.000 -8.243 -20.646) 22.231 20.785 ( -0.000 -3.805 -0.231) 3.812 21.018 ( -0.000 -5.690 1.280) 5.832 21.277 ( 0.000 4.006 -2.196) 4.568 21.353 ( -0.000 -2.875 1.369) 3.184 24.857 ( -0.000 -1.957 1.491) 2.461 24.892 ( 0.000 -0.745 -1.067) 1.301 32.492 ( -0.000 0.230 0.318) 0.393 32.524 ( 0.000 1.557 -0.832) 1.765 43.050 ( -0.000 3.512 4.166) 5.449 44.287 ( -0.000 6.781 18.091) 19.321 44.766 ( 0.000 10.214 -9.933) 14.248 45.991 ( 0.000 19.695 -4.641) 20.235 ======================= Grid point 624 (202/231) ======================= q-point: (-0.31 -0.38 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.868 ( 14.682 15.599 -8.758) 23.143 5.203 ( 9.561 15.006 -0.466) 17.799 5.409 ( 3.370 -17.898 -8.897) 20.270 6.174 ( -1.855 15.182 21.613) 26.477 6.431 ( -3.331 -6.895 -4.049) 8.662 6.936 ( -2.243 7.961 3.838) 9.117 7.093 ( -7.252 -3.524 11.002) 13.640 7.530 ( -9.097 -6.368 -6.892) 13.069 7.853 ( -0.117 9.588 1.304) 9.677 8.514 ( 6.391 -4.592 0.307) 7.875 9.096 ( 1.276 8.641 -10.076) 13.335 9.901 ( 5.172 -18.129 8.343) 20.616 9.958 ( 1.209 2.099 5.310) 5.836 10.320 ( -2.839 -4.659 2.181) 5.875 10.986 ( 1.326 2.254 -0.624) 2.689 11.190 ( 3.588 -4.498 -3.579) 6.776 11.385 ( -2.744 5.858 -0.539) 6.491 12.270 ( -10.147 -5.276 -19.636) 22.724 20.779 ( 2.513 -2.011 0.538) 3.263 20.981 ( 0.943 -4.604 0.379) 4.715 21.276 ( -3.323 3.237 -1.244) 4.803 21.312 ( -2.554 -1.888 0.752) 3.264 24.847 ( 0.069 -1.609 1.194) 2.005 24.880 ( -0.249 -0.150 -0.978) 1.020 32.499 ( 0.485 0.089 0.440) 0.662 32.539 ( 0.504 1.645 -0.796) 1.895 43.183 ( 9.043 2.628 4.635) 10.496 44.316 ( -10.831 6.962 12.363) 17.850 44.935 ( 14.219 2.558 -4.691) 15.190 46.117 ( -4.676 18.115 -1.407) 18.761 ======================= Grid point 637 (203/231) ======================= q-point: (-0.31 -0.31 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( 0.000 8.927 -8.609) 12.401 5.152 ( 0.000 -13.287 -5.004) 14.198 5.309 ( -0.000 19.655 7.549) 21.055 6.261 ( 0.000 -17.908 -13.378) 22.353 6.461 ( -0.000 12.967 23.165) 26.548 7.010 ( -0.000 -0.081 0.164) 0.183 7.167 ( -0.000 -5.290 13.326) 14.337 7.528 ( 0.000 -4.562 -1.562) 4.822 8.028 ( 0.000 19.084 -5.723) 19.924 8.392 ( -0.000 -1.976 1.879) 2.727 9.136 ( 0.000 8.869 -11.046) 14.166 9.729 ( -0.000 -15.742 7.123) 17.279 9.871 ( -0.000 -17.329 2.311) 17.483 10.345 ( -0.000 -2.230 4.253) 4.802 11.002 ( -0.000 4.257 1.991) 4.700 11.125 ( 0.000 1.506 -6.424) 6.598 11.465 ( 0.000 4.431 -0.129) 4.433 12.213 ( 0.000 -0.710 -21.634) 21.645 20.753 ( -0.000 0.246 0.886) 0.920 20.931 ( -0.000 -4.012 0.045) 4.012 21.311 ( -0.000 -2.758 1.009) 2.937 21.341 ( 0.000 4.502 -1.357) 4.702 24.837 ( -0.000 -1.619 1.033) 1.920 24.877 ( 0.000 0.194 -0.878) 0.900 32.497 ( -0.000 -0.112 0.354) 0.372 32.546 ( 0.000 1.587 -0.681) 1.727 43.163 ( -0.000 2.192 6.655) 7.007 44.555 ( -0.000 -0.316 21.154) 21.156 44.767 ( 0.000 2.599 -13.035) 13.291 46.324 ( 0.000 17.428 0.117) 17.429 ======================= Grid point 736 (204/231) ======================= q-point: ( 0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -0.000 -0.000 40.484) 40.484 2.617 ( -0.000 -0.000 40.484) 40.484 3.984 ( -0.000 -0.000 64.574) 64.574 5.348 ( 0.000 0.000 -27.680) 27.680 5.348 ( 0.000 0.000 -27.680) 27.680 7.246 ( -0.000 -0.000 17.492) 17.492 7.246 ( -0.000 0.000 17.492) 17.492 8.240 ( 0.000 0.000 -33.406) 33.406 8.296 ( -0.000 -0.000 8.154) 8.154 8.615 ( 0.000 0.000 -14.747) 14.747 8.615 ( 0.000 0.000 -14.747) 14.747 9.222 ( 0.000 0.000 -20.764) 20.764 10.268 ( -0.000 -0.000 10.324) 10.324 10.268 ( -0.000 -0.000 10.324) 10.324 10.827 ( 0.000 -0.000 -3.501) 3.501 10.827 ( 0.000 0.000 -3.501) 3.501 12.353 ( -0.000 -0.000 20.489) 20.489 13.607 ( 0.000 0.000 -10.137) 10.137 21.310 ( 0.000 -0.000 1.435) 1.435 21.310 ( -0.000 0.000 1.435) 1.435 21.445 ( 0.000 -0.000 -1.549) 1.549 21.445 ( 0.000 -0.000 -1.549) 1.549 25.069 ( -0.000 -0.000 3.969) 3.969 25.365 ( 0.000 0.000 -4.899) 4.899 32.521 ( -0.000 -0.000 0.396) 0.396 32.553 ( 0.000 0.000 -0.414) 0.414 43.025 ( 0.000 -0.000 3.516) 3.516 43.025 ( 0.000 0.000 3.516) 3.516 43.339 ( 0.000 -0.000 -3.622) 3.622 43.339 ( -0.000 -0.000 -3.622) 3.622 ======================= Grid point 737 (205/231) ======================= q-point: ( 0.38 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( -2.322 -1.341 38.459) 38.552 3.115 ( 8.881 5.128 42.263) 43.490 4.685 ( 32.306 18.652 55.597) 66.952 5.049 ( -1.988 -1.148 -30.938) 31.023 5.522 ( 17.214 9.939 -26.555) 33.170 7.184 ( -8.349 -4.820 17.439) 19.927 7.346 ( -4.843 -2.796 16.994) 17.891 8.070 ( 0.842 0.486 -36.329) 36.342 8.240 ( -6.583 -3.801 10.267) 12.775 8.371 ( -11.739 -6.778 -16.329) 21.222 8.610 ( 6.413 3.703 -12.166) 14.243 9.213 ( 6.626 3.826 -19.540) 20.984 10.264 ( -2.420 -1.397 9.212) 9.626 10.454 ( 8.115 4.685 12.124) 15.323 10.890 ( 9.248 5.339 -5.926) 12.213 10.904 ( 5.214 3.010 -3.197) 6.817 12.363 ( -8.073 -4.661 19.815) 21.898 13.404 ( -14.826 -8.560 -10.831) 20.258 21.244 ( -4.589 -2.649 1.126) 5.417 21.356 ( 1.699 0.981 1.732) 2.617 21.365 ( -3.862 -2.230 -1.828) 4.819 21.466 ( 0.047 0.027 -1.593) 1.594 25.072 ( -1.509 -0.871 3.342) 3.769 25.240 ( -7.953 -4.592 -1.823) 9.362 32.508 ( -1.071 -0.618 0.457) 1.318 32.539 ( -1.004 -0.580 -0.439) 1.239 43.147 ( -2.681 -1.548 -5.190) 6.043 43.256 ( 11.056 6.383 5.965) 14.091 43.336 ( 26.883 15.521 -11.170) 32.990 43.649 ( 19.964 11.526 -1.247) 23.086 ======================= Grid point 738 (206/231) ======================= q-point: ( 0.46 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( 10.426 6.019 31.999) 34.189 3.511 ( 8.687 5.016 41.596) 42.788 4.945 ( 7.413 4.280 -31.100) 32.256 5.708 ( 29.927 17.279 16.659) 38.363 5.885 ( 30.448 17.579 1.415) 35.187 7.029 ( -14.382 -8.303 15.413) 22.657 7.281 ( -5.639 -3.256 15.213) 16.548 7.881 ( -2.632 -1.519 -31.228) 31.376 8.064 ( -5.738 -3.313 -19.090) 20.207 8.153 ( -6.065 -3.502 6.931) 9.854 8.750 ( 9.834 5.678 -6.792) 13.232 9.282 ( 9.044 5.222 -19.217) 21.871 10.258 ( -2.313 -1.335 8.908) 9.299 10.684 ( 5.399 3.117 11.368) 12.965 11.016 ( 5.709 3.296 -2.054) 6.905 11.084 ( 10.109 5.837 -6.854) 13.537 12.241 ( -11.061 -6.386 20.287) 23.972 12.851 ( -29.402 -16.975 -9.016) 35.127 21.130 ( -6.033 -3.483 1.004) 7.038 21.267 ( -3.953 -2.282 -1.540) 4.818 21.390 ( -0.505 -0.292 0.642) 0.867 21.438 ( -0.712 -0.411 -1.480) 1.693 25.039 ( -2.567 -1.482 1.939) 3.542 25.062 ( -7.237 -4.178 1.111) 8.430 32.491 ( -0.479 -0.277 0.166) 0.578 32.511 ( -1.245 -0.719 -0.389) 1.489 43.071 ( -0.458 -0.264 -6.425) 6.446 43.569 ( 13.714 7.918 8.535) 17.989 43.929 ( 30.980 17.886 -25.878) 44.152 44.174 ( 26.623 15.371 2.162) 30.818 ======================= Grid point 739 (207/231) ======================= q-point: ( 0.54 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 18.073 10.434 23.213) 31.214 3.945 ( 12.797 7.388 34.568) 37.594 5.070 ( 17.324 10.002 -25.587) 32.479 6.165 ( 22.870 13.204 -20.475) 33.416 6.614 ( 11.401 6.582 26.219) 29.339 6.694 ( -21.049 -12.153 9.482) 26.089 7.458 ( 19.617 11.326 17.702) 28.749 7.674 ( -3.402 -1.964 -20.584) 20.956 7.906 ( -0.172 -0.100 -21.695) 21.696 8.024 ( -8.237 -4.756 3.998) 10.318 8.915 ( 6.361 3.672 -5.157) 8.975 9.431 ( 13.161 7.599 -16.938) 22.757 10.263 ( -1.208 -0.697 9.271) 9.376 10.756 ( -3.505 -2.023 6.012) 7.247 11.080 ( -0.161 -0.093 -1.291) 1.304 11.239 ( 6.607 3.815 -5.404) 9.350 12.096 ( -33.324 -19.239 -5.910) 38.930 12.151 ( -6.498 -3.751 23.639) 24.801 20.998 ( -6.215 -3.588 0.715) 7.212 21.192 ( -1.977 -1.141 -0.454) 2.328 21.309 ( -5.283 -3.050 -1.188) 6.215 21.445 ( 0.497 0.287 -0.885) 1.055 24.944 ( -4.203 -2.427 1.844) 5.192 24.985 ( -2.762 -1.594 0.424) 3.217 32.488 ( -0.567 -0.327 -0.098) 0.662 32.488 ( 0.221 0.127 -0.270) 0.371 43.059 ( 2.408 1.391 -7.124) 7.647 43.932 ( 14.298 8.255 10.791) 19.723 44.364 ( 21.515 12.421 -30.127) 39.049 44.802 ( 27.695 15.989 5.040) 32.374 ======================= Grid point 740 (208/231) ======================= q-point: ( 0.62 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.904 ( 21.613 12.478 14.975) 29.105 4.422 ( 16.495 9.523 23.644) 30.361 5.403 ( 19.679 11.361 -15.875) 27.719 6.275 ( -17.081 -9.861 2.800) 19.921 6.512 ( 13.205 7.624 -13.510) 20.371 6.748 ( 0.991 0.572 10.620) 10.681 7.504 ( -3.840 -2.217 -15.965) 16.570 7.813 ( 0.932 0.538 -16.952) 16.986 7.838 ( -9.940 -5.739 3.188) 11.913 8.150 ( 27.293 15.758 18.072) 36.329 8.909 ( -5.372 -3.101 -4.813) 7.851 9.670 ( 14.414 8.322 -12.300) 20.696 10.314 ( 1.799 1.038 8.120) 8.381 10.577 ( -13.170 -7.603 -1.536) 15.284 11.026 ( -3.267 -1.886 0.349) 3.788 11.304 ( -3.057 -1.765 2.718) 4.455 11.449 ( -16.678 -9.629 -7.299) 20.595 12.172 ( -4.441 -2.564 25.123) 25.641 20.873 ( -5.089 -2.938 0.287) 5.883 21.172 ( -6.249 -3.608 -1.187) 7.313 21.184 ( 1.151 0.664 0.936) 1.626 21.430 ( -1.324 -0.764 -1.547) 2.174 24.889 ( -1.796 -1.037 1.643) 2.646 24.927 ( -2.348 -1.355 -0.634) 2.784 32.488 ( 0.498 0.288 0.369) 0.683 32.494 ( 0.414 0.239 -0.519) 0.706 43.093 ( 3.740 2.160 -7.336) 8.513 44.290 ( 12.300 7.101 12.422) 18.868 44.578 ( 12.151 7.016 -28.673) 31.922 45.412 ( 24.613 14.211 5.751) 28.997 ======================= Grid point 741 (209/231) ======================= q-point: ( 0.69 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( 21.210 12.246 8.826) 26.033 4.899 ( 18.575 10.724 9.704) 23.541 5.480 ( -12.791 -7.385 3.666) 15.218 6.215 ( 15.817 9.132 -16.081) 24.335 6.494 ( -9.295 -5.367 6.483) 12.539 6.931 ( 9.908 5.720 -6.975) 13.399 7.335 ( -4.362 -2.518 -14.147) 15.016 7.646 ( -7.954 -4.592 2.207) 9.446 7.801 ( 4.778 2.759 -6.412) 8.459 8.555 ( -6.006 -3.468 -1.058) 7.016 8.831 ( 10.371 5.988 12.859) 17.572 9.866 ( 4.520 2.610 -3.582) 6.330 10.222 ( -14.757 -8.520 -10.284) 19.903 10.380 ( 0.493 0.284 1.156) 1.289 10.971 ( -1.309 -0.756 0.866) 1.742 11.105 ( -5.647 -3.260 7.873) 10.223 11.397 ( 3.078 1.777 -4.245) 5.537 12.183 ( -5.757 -3.324 23.834) 24.743 20.785 ( -2.782 -1.606 -0.224) 3.220 21.034 ( -5.534 -3.195 -0.767) 6.435 21.246 ( 3.531 2.038 1.742) 4.433 21.376 ( -2.592 -1.497 -1.644) 3.415 24.874 ( -0.422 -0.243 1.238) 1.330 24.877 ( -1.804 -1.041 -1.083) 2.348 32.499 ( 0.209 0.121 -0.520) 0.574 32.511 ( 1.287 0.743 0.724) 1.654 43.137 ( 3.468 2.002 -7.145) 8.191 44.584 ( 7.996 4.616 13.230) 16.133 44.624 ( 5.047 2.914 -25.191) 25.856 45.929 ( 19.869 11.471 3.854) 23.264 ======================= Grid point 750 (210/231) ======================= q-point: ( 0.38 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -0.000 -0.367 38.865) 38.867 3.472 ( -0.000 27.575 37.217) 46.319 4.841 ( 0.000 -6.859 -26.798) 27.662 4.884 ( -0.000 21.324 54.167) 58.213 5.388 ( 0.000 19.469 -29.891) 35.673 7.220 ( -0.000 -14.487 17.627) 22.816 7.522 ( -0.000 3.283 15.507) 15.850 7.903 ( 0.000 6.332 -36.809) 37.349 8.297 ( -0.000 -10.363 6.053) 12.001 8.316 ( 0.000 -13.521 -12.884) 18.677 8.432 ( 0.000 1.159 -12.168) 12.224 9.116 ( 0.000 6.628 -17.495) 18.708 10.368 ( -0.000 2.364 10.144) 10.416 10.463 ( -0.000 4.936 10.554) 11.651 10.740 ( 0.000 -0.342 -5.000) 5.012 10.972 ( 0.000 11.863 -4.012) 12.523 12.451 ( -0.000 -11.476 18.921) 22.129 13.430 ( 0.000 -4.281 -13.597) 14.255 21.271 ( -0.000 -3.286 0.974) 3.427 21.338 ( -0.000 -1.143 2.187) 2.468 21.349 ( 0.000 -5.163 -2.071) 5.563 21.466 ( 0.000 0.962 -1.344) 1.653 25.088 ( -0.000 -2.067 3.135) 3.755 25.230 ( 0.000 -7.994 -2.065) 8.256 32.510 ( -0.000 -1.225 0.469) 1.311 32.538 ( 0.000 -1.096 -0.455) 1.187 42.917 ( -0.000 -5.221 2.410) 5.751 43.217 ( 0.000 1.986 -3.679) 4.181 43.543 ( 0.000 19.776 -1.944) 19.871 43.646 ( 0.000 41.230 -5.581) 41.606 ======================= Grid point 751 (211/231) ======================= q-point: ( 0.46 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 2.453 12.915 34.328) 36.759 3.853 ( -6.510 23.691 38.781) 45.908 4.678 ( 5.949 -0.852 -31.693) 32.258 5.501 ( 12.644 15.738 -26.399) 33.233 5.673 ( 28.969 23.525 44.235) 57.874 7.129 ( -3.831 -16.448 16.833) 23.845 7.519 ( -10.929 1.528 11.452) 15.904 7.766 ( -4.452 6.756 -30.898) 31.940 7.979 ( -4.517 -11.196 -12.674) 17.504 8.311 ( -4.120 -1.608 -12.239) 13.014 8.484 ( 12.953 -1.851 7.539) 15.101 9.145 ( 5.769 7.699 -18.157) 20.548 10.380 ( -5.598 2.853 9.595) 11.469 10.614 ( 6.587 -1.493 6.969) 9.705 10.850 ( 11.386 4.094 -1.308) 12.170 11.069 ( 1.824 8.656 -3.740) 9.604 12.366 ( -4.740 -15.832 18.174) 24.565 13.134 ( -20.866 -5.817 -14.134) 25.865 21.199 ( -4.628 -2.981 0.840) 5.569 21.263 ( -1.887 -5.808 -1.731) 6.347 21.366 ( 2.740 -2.040 1.733) 3.830 21.448 ( -1.934 -0.399 -1.430) 2.438 25.064 ( -1.543 -2.860 1.997) 3.814 25.108 ( -4.155 -7.024 0.129) 8.162 32.496 ( -0.487 -0.788 0.347) 0.989 32.517 ( -0.748 -1.134 -0.451) 1.431 43.066 ( 14.595 -3.410 0.730) 15.006 43.182 ( 0.711 4.674 -4.441) 6.487 43.894 ( 17.743 19.972 0.272) 26.716 44.080 ( 6.127 42.989 -10.990) 44.793 ======================= Grid point 752 (212/231) ======================= q-point: ( 0.54 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.489 ( 5.642 23.354 26.902) 36.068 4.162 ( -2.606 18.090 36.331) 40.669 4.730 ( 15.885 7.082 -26.903) 32.035 5.758 ( 22.470 8.591 -29.273) 37.889 6.576 ( 22.845 13.672 35.910) 44.703 6.939 ( -12.703 -13.564 13.566) 23.008 7.345 ( -2.196 -7.774 3.548) 8.823 7.652 ( -1.692 11.799 -23.625) 26.462 7.842 ( -0.660 0.615 -9.097) 9.141 8.141 ( -7.658 -2.823 -6.200) 10.250 8.743 ( 12.521 1.908 5.526) 13.819 9.261 ( 9.319 10.534 -18.780) 23.463 10.365 ( -4.600 2.409 8.899) 10.303 10.694 ( 5.170 -8.116 2.692) 9.992 11.051 ( 5.642 2.100 0.984) 6.100 11.145 ( 3.047 3.149 -4.387) 6.200 12.243 ( -2.474 -15.614 20.736) 26.075 12.539 ( -33.826 -5.484 -11.218) 36.057 21.084 ( -6.546 -2.177 0.604) 6.925 21.177 ( -0.739 -5.322 -0.931) 5.454 21.367 ( -3.969 -1.452 -0.630) 4.272 21.405 ( 1.836 -2.754 -0.198) 3.316 24.988 ( -3.834 -4.406 1.442) 6.016 25.010 ( -2.319 -2.828 0.475) 3.688 32.488 ( -0.162 -0.133 0.043) 0.214 32.494 ( -0.596 -0.424 -0.290) 0.787 43.099 ( -4.696 9.274 -3.911) 11.107 43.474 ( 28.442 -7.289 -2.257) 29.447 44.381 ( 8.261 31.107 -5.735) 32.692 44.563 ( 20.545 24.534 -3.825) 32.228 ======================= Grid point 753 (213/231) ======================= q-point: ( 0.62 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( 7.169 28.617 18.207) 34.667 4.502 ( 4.099 15.009 28.951) 32.867 5.056 ( 24.191 13.542 -18.084) 33.100 6.081 ( 26.209 1.866 -26.564) 37.363 6.545 ( -20.978 -9.779 5.062) 23.693 6.834 ( -3.490 -7.833 16.916) 18.965 7.433 ( 2.770 -3.991 -5.249) 7.152 7.678 ( 4.362 4.860 -18.895) 19.991 7.927 ( -4.072 -4.374 3.049) 6.709 8.021 ( 12.952 13.616 7.617) 20.277 8.935 ( 1.835 5.400 3.287) 6.583 9.463 ( 13.631 11.284 -16.017) 23.868 10.373 ( -2.122 2.235 7.139) 7.776 10.629 ( -3.894 -10.806 -0.116) 11.487 11.029 ( -3.942 -4.454 -0.901) 6.015 11.212 ( 6.344 -1.862 -3.802) 7.627 11.857 ( -33.726 -1.539 -5.063) 34.139 12.254 ( 1.873 -11.722 22.502) 25.441 20.956 ( -6.813 -1.283 0.276) 6.938 21.137 ( 1.408 -4.188 0.274) 4.427 21.256 ( -5.977 -1.288 -1.042) 6.202 21.402 ( 1.202 -3.660 -0.712) 3.918 24.916 ( -2.186 -2.244 1.644) 3.538 24.946 ( -2.253 -2.176 -0.707) 3.211 32.487 ( 0.191 0.269 0.285) 0.437 32.492 ( 0.121 0.530 -0.410) 0.681 43.110 ( -2.798 10.350 -4.729) 11.718 43.856 ( 27.564 -8.149 -3.718) 28.983 44.676 ( -1.218 29.491 -9.508) 31.010 45.155 ( 25.903 14.407 4.643) 30.002 ======================= Grid point 754 (214/231) ======================= q-point: ( 0.69 0.38 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.448 ( 8.335 28.340 12.439) 32.052 4.866 ( 8.150 14.557 16.652) 23.572 5.485 ( 14.585 9.679 -7.036) 18.866 6.104 ( -6.972 -5.567 -6.281) 10.911 6.428 ( 14.247 0.291 -16.400) 21.726 6.796 ( 2.722 -6.383 9.403) 11.687 7.293 ( -5.225 -5.971 -12.756) 15.022 7.639 ( 0.873 -11.937 1.058) 12.016 7.789 ( -5.363 6.162 -5.532) 9.866 8.489 ( 14.671 2.635 6.581) 16.294 8.943 ( -7.265 9.415 6.006) 13.323 9.744 ( 14.157 10.338 -9.395) 19.889 10.328 ( -12.724 -9.548 -3.761) 16.347 10.403 ( -4.120 -1.122 -1.393) 4.492 10.950 ( 0.344 -3.496 3.558) 5.000 11.269 ( 4.669 -3.758 -1.147) 6.103 11.399 ( -19.408 4.609 -1.537) 20.007 12.280 ( 0.234 -12.272 22.208) 25.375 20.847 ( -5.495 -0.095 -0.046) 5.496 21.087 ( -4.248 -3.488 -0.664) 5.537 21.207 ( 2.230 -0.246 1.216) 2.552 21.366 ( -0.353 -4.061 -1.272) 4.270 24.885 ( -0.796 -0.932 1.362) 1.832 24.890 ( -1.818 -1.377 -1.236) 2.594 32.497 ( 0.097 0.622 -0.524) 0.819 32.506 ( 0.937 0.990 0.708) 1.536 43.147 ( -1.787 10.103 -4.871) 11.357 44.161 ( 21.372 -7.855 -7.664) 24.025 44.838 ( -4.286 22.089 -3.344) 22.748 45.698 ( 22.540 9.250 4.757) 24.824 ======================= Grid point 764 (215/231) ======================= q-point: ( 0.46 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -0.000 18.038 31.622) 36.405 4.405 ( -0.000 31.579 33.197) 45.818 4.464 ( 0.000 2.618 -30.365) 30.478 5.345 ( 0.000 9.156 -35.454) 36.617 5.892 ( -0.000 23.738 48.540) 54.033 7.066 ( -0.000 -19.913 15.432) 25.192 7.642 ( 0.000 13.688 -17.513) 22.228 7.851 ( 0.000 -0.499 -3.125) 3.164 7.928 ( 0.000 -5.904 -9.277) 10.997 7.982 ( 0.000 -11.985 -12.221) 17.117 8.566 ( -0.000 9.426 9.498) 13.382 9.057 ( 0.000 5.116 -15.979) 16.778 10.492 ( -0.000 -1.170 5.981) 6.094 10.636 ( -0.000 1.502 9.430) 9.549 10.770 ( 0.000 8.516 -0.391) 8.525 11.102 ( 0.000 4.089 -1.906) 4.511 12.297 ( -0.000 -22.706 14.613) 27.002 13.187 ( 0.000 -3.450 -18.970) 19.282 21.188 ( -0.000 -6.684 -1.180) 6.788 21.239 ( 0.000 -2.991 -0.724) 3.077 21.314 ( -0.000 -3.911 2.694) 4.749 21.457 ( 0.000 -0.490 -0.908) 1.032 25.054 ( -0.000 -3.824 1.308) 4.041 25.072 ( -0.000 -7.215 0.516) 7.233 32.494 ( -0.000 -0.745 0.255) 0.788 32.509 ( 0.000 -1.218 -0.453) 1.300 42.880 ( -0.000 -1.236 2.110) 2.445 43.350 ( 0.000 12.775 2.102) 12.947 43.870 ( 0.000 19.419 -3.119) 19.668 44.416 ( 0.000 43.909 -12.409) 45.629 ======================= Grid point 765 (216/231) ======================= q-point: ( 0.54 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.774 ( 6.373 23.749 25.474) 35.405 4.421 ( 5.168 11.318 -26.133) 28.943 4.761 ( -10.501 28.216 33.243) 44.850 5.332 ( 13.877 2.978 -35.212) 37.964 6.546 ( 20.774 18.328 39.355) 48.128 6.930 ( -0.155 -20.969 13.113) 24.732 7.436 ( -17.544 -11.414 -12.080) 24.165 7.719 ( -3.658 17.484 -26.855) 32.253 7.832 ( 0.006 -2.493 8.720) 9.070 8.072 ( 5.743 -0.762 -11.457) 12.838 8.741 ( 2.727 12.047 14.552) 19.087 9.100 ( 8.175 6.500 -16.302) 19.361 10.504 ( -0.347 -2.044 5.786) 6.146 10.595 ( -4.168 -0.996 2.798) 5.118 10.972 ( 7.417 3.918 4.365) 9.456 11.127 ( 1.065 1.037 -1.437) 2.068 12.140 ( 1.698 -24.554 13.877) 28.255 12.882 ( -19.732 -3.077 -19.126) 27.651 21.111 ( 0.104 -7.073 -1.162) 7.168 21.167 ( -4.753 -1.723 -0.268) 5.063 21.319 ( 2.921 -4.660 1.883) 5.814 21.422 ( -2.932 -1.086 -0.726) 3.210 24.996 ( -1.917 -5.330 1.282) 5.808 25.009 ( -1.214 -3.771 0.141) 3.964 32.489 ( -0.110 -0.227 0.041) 0.256 32.495 ( -0.202 -0.575 -0.339) 0.697 43.027 ( 16.182 -1.119 1.223) 16.266 43.375 ( -11.495 15.799 1.323) 19.583 44.266 ( 22.053 18.418 1.567) 28.776 44.744 ( -0.247 37.986 -13.187) 40.210 ======================= Grid point 766 (217/231) ======================= q-point: ( 0.62 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.281 ( 6.819 31.287 20.993) 38.289 4.608 ( 16.382 16.950 -19.278) 30.451 5.006 ( -8.085 23.435 29.330) 38.404 5.492 ( 24.357 -0.568 -31.694) 39.976 6.738 ( -4.301 -17.942 14.069) 23.202 6.906 ( -16.890 -9.970 -2.914) 19.828 7.273 ( 15.826 0.864 17.055) 23.283 7.632 ( -4.602 5.122 -24.695) 25.637 7.918 ( 6.813 3.356 9.103) 11.855 8.053 ( -3.899 7.618 -8.144) 11.814 9.020 ( 5.032 14.298 13.974) 20.616 9.259 ( 11.796 8.923 -16.717) 22.321 10.484 ( -4.376 -0.393 6.494) 7.841 10.544 ( 1.114 -7.049 -0.614) 7.163 11.057 ( 1.304 -2.961 1.895) 3.750 11.103 ( -2.460 -2.073 -3.368) 4.657 12.091 ( 8.446 -20.798 17.637) 28.548 12.351 ( -28.625 -1.038 -15.596) 32.614 21.060 ( -0.276 -4.197 -0.146) 4.208 21.062 ( -4.164 -2.226 -0.368) 4.736 21.323 ( 1.520 -4.799 0.884) 5.111 21.337 ( -4.407 -1.906 -0.843) 4.875 24.931 ( -1.766 -3.185 1.564) 3.964 24.950 ( -1.643 -2.842 -0.875) 3.397 32.488 ( 0.175 0.168 0.246) 0.345 32.493 ( 0.131 0.567 -0.450) 0.736 43.322 ( 2.087 9.534 2.537) 10.084 43.374 ( 10.744 4.872 -3.963) 12.445 44.846 ( 22.369 15.796 7.347) 28.353 44.993 ( 0.752 28.944 -12.044) 31.359 ======================= Grid point 767 (218/231) ======================= q-point: ( 0.69 0.46 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( 2.766 37.274 10.903) 38.935 5.028 ( 10.800 18.080 6.817) 22.136 5.291 ( 9.041 18.792 7.891) 22.296 5.769 ( 27.659 -2.785 -25.938) 38.020 6.418 ( -19.330 -5.310 -2.249) 20.172 6.677 ( 4.491 -18.141 6.159) 19.678 7.324 ( -11.473 -5.576 -4.866) 13.653 7.479 ( 2.897 -13.607 0.395) 13.917 7.995 ( -9.393 13.994 -5.418) 17.703 8.262 ( 18.882 2.001 6.942) 20.217 9.219 ( -6.762 15.133 7.011) 17.997 9.508 ( 17.707 6.791 -9.272) 21.110 10.415 ( -6.336 -4.380 0.748) 7.738 10.444 ( -4.595 -5.064 -2.837) 7.403 10.974 ( -4.013 0.093 2.211) 4.583 11.104 ( 6.517 -5.415 -1.596) 8.622 11.815 ( -26.327 2.089 -8.385) 27.708 12.155 ( 8.652 -19.676 16.703) 27.221 20.952 ( -6.547 0.745 -0.445) 6.604 21.057 ( 2.849 -4.567 0.812) 5.443 21.228 ( -4.866 -1.147 -0.355) 5.012 21.305 ( 1.327 -5.559 -0.334) 5.725 24.894 ( -0.900 -1.641 1.388) 2.330 24.897 ( -1.507 -1.651 -1.338) 2.605 32.501 ( 0.122 0.981 -0.618) 1.166 32.504 ( 0.854 0.872 0.692) 1.403 43.343 ( -8.219 16.398 -0.910) 18.365 43.706 ( 22.767 -3.076 -3.852) 23.295 45.121 ( -5.484 23.817 -4.209) 24.800 45.418 ( 23.777 7.725 4.893) 25.474 ======================= Grid point 778 (219/231) ======================= q-point: ( 0.54 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( 0.000 16.202 0.331) 16.206 4.480 ( 0.000 24.658 -2.078) 24.745 5.043 ( 0.000 1.197 -35.480) 35.500 5.341 ( -0.000 31.812 29.451) 43.351 6.719 ( -0.000 14.789 36.294) 39.192 6.754 ( -0.000 -24.706 7.798) 25.907 7.410 ( 0.000 -10.914 -20.892) 23.571 7.703 ( 0.000 -5.446 -7.082) 8.933 7.919 ( -0.000 4.451 6.587) 7.950 8.025 ( 0.000 20.005 -13.654) 24.221 8.948 ( -0.000 17.575 13.577) 22.209 8.989 ( 0.000 2.529 -11.240) 11.521 10.464 ( 0.000 -2.600 -1.055) 2.806 10.674 ( -0.000 -8.165 8.366) 11.690 11.004 ( -0.000 10.163 6.440) 12.031 11.104 ( 0.000 -1.539 -0.538) 1.631 11.911 ( -0.000 -28.244 6.999) 29.099 12.901 ( 0.000 -3.947 -23.002) 23.338 21.028 ( -0.000 -7.742 -1.388) 7.866 21.202 ( 0.000 -0.311 -1.043) 1.088 21.247 ( -0.000 -5.875 2.614) 6.430 21.435 ( -0.000 -1.309 0.051) 1.310 24.969 ( -0.000 -4.765 1.412) 4.970 24.981 ( -0.000 -3.787 -0.511) 3.822 32.489 ( 0.000 0.131 -0.171) 0.215 32.489 ( 0.000 -0.425 -0.199) 0.470 42.910 ( -0.000 1.788 2.651) 3.197 43.720 ( -0.000 17.131 11.977) 20.903 44.203 ( 0.000 19.447 -5.706) 20.267 45.033 ( 0.000 34.403 -11.995) 36.434 ======================= Grid point 779 (220/231) ======================= q-point: ( 0.62 0.54 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.220 ( 18.771 16.562 -12.113) 27.810 4.751 ( -2.103 29.277 5.483) 29.860 5.027 ( 14.030 5.330 -25.492) 29.581 5.644 ( -14.394 28.514 29.202) 43.278 6.556 ( 2.415 -24.988 3.714) 25.378 7.072 ( -12.727 -8.455 -9.428) 17.955 7.154 ( 12.809 3.868 21.884) 25.650 7.625 ( -2.215 0.365 -7.928) 8.240 7.902 ( -1.909 -5.738 3.684) 7.081 8.194 ( -1.171 23.021 -11.177) 25.618 9.019 ( 8.209 1.878 -5.856) 10.257 9.242 ( 3.847 20.358 10.537) 23.244 10.447 ( 1.611 -3.142 -1.519) 3.843 10.570 ( -4.369 -10.542 6.623) 13.194 11.020 ( -2.519 -2.288 0.735) 3.481 11.162 ( -1.158 4.013 1.976) 4.621 11.760 ( 10.417 -24.962 7.042) 27.950 12.605 ( -15.468 -3.910 -21.972) 27.154 20.964 ( 1.651 -6.852 -0.719) 7.085 21.144 ( -4.280 -0.793 -0.509) 4.383 21.239 ( 2.254 -4.764 1.134) 5.391 21.394 ( -3.306 -1.617 0.388) 3.700 24.929 ( -0.819 -3.424 1.493) 3.824 24.937 ( -0.760 -2.878 -1.127) 3.183 32.487 ( 0.159 0.136 0.168) 0.268 32.493 ( 0.256 0.648 -0.472) 0.842 43.055 ( 12.484 1.968 2.430) 12.870 43.758 ( -16.060 18.073 7.466) 25.304 44.604 ( 23.009 14.720 1.301) 27.345 45.263 ( -2.420 29.513 -9.580) 31.123 ======================= Grid point 792 (221/231) ======================= q-point: (-0.38 -0.38 -0.69) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.146 ( 0.000 19.441 -15.444) 24.829 4.794 ( 0.000 7.968 -24.448) 25.714 5.168 ( -0.000 30.837 14.155) 33.931 6.189 ( -0.000 26.089 24.072) 35.497 6.293 ( -0.000 -24.623 0.584) 24.630 7.000 ( 0.000 -9.744 -17.938) 20.414 7.200 ( -0.000 1.804 23.611) 23.680 7.651 ( -0.000 2.404 3.090) 3.915 7.866 ( -0.000 -9.521 0.258) 9.524 8.387 ( 0.000 24.777 -11.305) 27.234 8.901 ( 0.000 -3.563 -5.179) 6.287 9.471 ( -0.000 20.659 13.135) 24.481 10.405 ( 0.000 -0.843 -3.022) 3.137 10.496 ( -0.000 -18.248 8.086) 19.959 11.050 ( 0.000 -3.029 -1.868) 3.559 11.240 ( -0.000 6.659 7.064) 9.707 11.436 ( -0.000 -21.788 -2.146) 21.893 12.560 ( 0.000 -6.096 -24.299) 25.052 20.880 ( -0.000 -6.311 -0.686) 6.348 21.148 ( -0.000 -6.775 1.873) 7.030 21.205 ( 0.000 2.067 -1.683) 2.666 21.409 ( -0.000 -2.064 1.167) 2.371 24.911 ( -0.000 -2.991 1.408) 3.306 24.912 ( 0.000 -2.196 -1.338) 2.572 32.488 ( -0.000 0.274 0.236) 0.361 32.495 ( 0.000 0.913 -0.548) 1.065 43.001 ( -0.000 3.704 4.541) 5.860 44.195 ( -0.000 13.607 20.650) 24.730 44.464 ( 0.000 15.655 -9.736) 18.436 45.511 ( 0.000 27.134 -7.611) 28.181 ======================= Grid point 920 (222/231) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.233 ( -0.000 -0.000 38.952) 38.952 3.233 ( -0.000 0.000 38.952) 38.952 4.889 ( 0.000 0.000 -31.516) 31.516 4.889 ( 0.000 0.000 -31.516) 31.516 4.974 ( -0.000 -0.000 63.133) 63.133 7.527 ( -0.000 -0.000 18.678) 18.678 7.527 ( -0.000 0.000 18.678) 18.678 7.614 ( 0.000 0.000 -46.612) 46.612 8.372 ( 0.000 -0.000 -16.577) 16.577 8.372 ( 0.000 0.000 -16.577) 16.577 8.432 ( -0.000 -0.000 9.433) 9.433 8.957 ( 0.000 0.000 -14.336) 14.336 10.422 ( -0.000 -0.000 9.430) 9.430 10.422 ( -0.000 0.000 9.430) 9.430 10.762 ( 0.000 0.000 -4.990) 4.990 10.762 ( 0.000 0.000 -4.990) 4.990 12.662 ( -0.000 -0.000 19.362) 19.362 13.428 ( 0.000 0.000 -12.913) 12.913 21.335 ( 0.000 -0.000 1.686) 1.686 21.335 ( 0.000 0.000 1.686) 1.686 21.419 ( 0.000 -0.000 -1.767) 1.767 21.419 ( -0.000 0.000 -1.767) 1.767 25.128 ( -0.000 -0.000 3.548) 3.548 25.294 ( 0.000 0.000 -4.259) 4.259 32.527 ( -0.000 -0.000 0.416) 0.416 32.547 ( 0.000 0.000 -0.430) 0.430 43.083 ( 0.000 -0.000 3.990) 3.990 43.083 ( 0.000 0.000 3.990) 3.990 43.279 ( -0.000 -0.000 -4.066) 4.066 43.279 ( -0.000 0.000 -4.066) 4.066 ======================= Grid point 921 (223/231) ======================= q-point: ( 0.46 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( -4.704 -2.716 37.815) 38.203 3.750 ( 11.472 6.623 39.757) 41.906 4.545 ( -2.569 -1.483 -33.987) 34.116 5.072 ( 18.448 10.651 -30.137) 36.905 5.558 ( 23.769 13.723 55.434) 61.857 7.391 ( 0.304 0.176 -30.012) 30.014 7.502 ( -5.011 -2.893 2.587) 6.338 7.610 ( -6.228 -3.596 16.936) 18.400 8.103 ( -11.645 -6.723 -18.022) 22.485 8.289 ( -3.073 -1.774 -8.410) 9.128 8.521 ( 6.060 3.499 5.284) 8.768 8.946 ( 4.752 2.743 -15.341) 16.293 10.403 ( -2.708 -1.564 8.539) 9.093 10.626 ( 8.915 5.147 9.948) 14.315 10.790 ( 7.883 4.551 -6.988) 11.475 10.843 ( 6.173 3.564 -4.621) 8.495 12.664 ( -8.016 -4.628 18.928) 21.070 13.217 ( -13.763 -7.946 -13.286) 20.714 21.264 ( -4.762 -2.749 1.449) 5.686 21.338 ( -3.801 -2.195 -1.730) 4.718 21.384 ( 1.497 0.864 1.885) 2.557 21.439 ( -0.053 -0.031 -1.905) 1.905 25.119 ( -2.243 -1.295 2.776) 3.797 25.207 ( -5.431 -3.136 -2.292) 6.677 32.515 ( -1.079 -0.623 0.500) 1.342 32.532 ( -1.015 -0.586 -0.463) 1.261 43.077 ( -4.662 -2.692 -4.025) 6.722 43.212 ( 15.567 8.988 -5.342) 18.752 43.348 ( 12.694 7.329 5.846) 15.781 43.624 ( 22.436 12.954 -1.759) 25.967 ======================= Grid point 922 (224/231) ======================= q-point: ( 0.54 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 4.888 2.822 32.389) 32.878 4.151 ( 6.776 3.912 40.746) 41.490 4.454 ( 10.483 6.053 -31.875) 34.096 5.384 ( 23.373 13.495 -28.823) 39.487 6.460 ( 30.859 17.817 43.025) 55.865 7.250 ( -14.618 -8.440 6.056) 17.933 7.321 ( 1.746 1.008 -35.031) 35.088 7.514 ( -6.711 -3.874 14.633) 16.558 7.808 ( -6.042 -3.488 -12.667) 14.461 8.174 ( -4.377 -2.527 -4.805) 6.973 8.720 ( 8.556 4.940 3.650) 10.533 9.004 ( 8.651 4.994 -16.693) 19.454 10.390 ( -2.175 -1.256 8.026) 8.410 10.799 ( 2.653 1.532 2.288) 3.824 10.964 ( 10.281 5.936 -8.441) 14.566 11.003 ( 7.484 4.321 1.393) 8.753 12.561 ( -9.063 -5.233 20.836) 23.317 12.697 ( -26.591 -15.352 -10.919) 32.588 21.148 ( -6.252 -3.610 1.266) 7.329 21.247 ( -3.437 -1.984 -1.037) 4.101 21.386 ( -2.890 -1.669 -1.448) 3.638 21.428 ( 0.796 0.460 0.436) 1.018 25.063 ( -3.564 -2.058 1.080) 4.255 25.071 ( -5.772 -3.333 0.149) 6.667 32.495 ( -0.781 -0.451 0.379) 0.978 32.505 ( -1.112 -0.642 -0.387) 1.341 42.984 ( -1.256 -0.725 -4.774) 4.990 43.610 ( 22.477 12.977 -15.775) 30.373 43.696 ( 15.386 8.883 7.680) 19.355 44.211 ( 29.337 16.937 2.887) 33.998 ======================= Grid point 923 (225/231) ======================= q-point: ( 0.62 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( 11.712 6.762 22.662) 26.390 4.491 ( 6.316 3.647 35.676) 36.414 4.690 ( 23.035 13.299 -22.431) 34.794 5.783 ( 25.368 14.646 -27.241) 40.001 6.797 ( -23.911 -13.805 2.418) 27.716 7.037 ( -0.688 -0.397 26.613) 26.625 7.263 ( 5.571 3.217 -32.155) 32.792 7.681 ( -2.107 -1.216 -6.022) 6.495 7.736 ( 23.771 13.724 17.829) 32.730 8.037 ( -6.391 -3.690 -2.632) 7.835 8.885 ( 4.140 2.390 2.048) 5.200 9.177 ( 14.710 8.493 -15.774) 23.181 10.393 ( -1.136 -0.656 7.150) 7.269 10.771 ( -5.624 -3.247 -3.490) 7.373 11.085 ( -0.617 -0.356 1.460) 1.624 11.127 ( 8.204 4.736 -8.421) 12.675 12.009 ( -29.785 -17.196 -5.776) 34.874 12.529 ( -4.616 -2.665 24.671) 25.240 21.011 ( -6.524 -3.766 0.974) 7.595 21.191 ( -1.137 -0.656 0.329) 1.353 21.284 ( -5.215 -3.011 -2.038) 6.358 21.437 ( -0.290 -0.168 -0.283) 0.439 24.968 ( -3.839 -2.216 1.224) 4.599 24.984 ( -3.469 -2.003 -0.545) 4.043 32.487 ( -0.107 -0.061 0.040) 0.129 32.487 ( -0.261 -0.151 0.009) 0.301 42.967 ( 1.757 1.014 -4.788) 5.199 43.972 ( 18.277 10.552 -20.670) 29.541 44.087 ( 15.804 9.125 8.984) 20.341 44.890 ( 28.838 16.650 6.931) 34.013 ======================= Grid point 934 (226/231) ======================= q-point: ( 0.46 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.417 ( -0.000 -2.899 38.057) 38.168 4.037 ( -0.000 25.231 35.698) 43.714 4.335 ( 0.000 -6.905 -34.107) 34.799 4.894 ( 0.000 18.055 -33.748) 38.275 5.782 ( -0.000 15.389 57.129) 59.165 7.193 ( 0.000 10.483 -47.267) 48.416 7.504 ( -0.000 -15.783 18.813) 24.557 7.824 ( -0.000 4.935 16.517) 17.239 8.099 ( 0.000 -7.727 -19.022) 20.532 8.104 ( 0.000 -11.326 -14.563) 18.448 8.528 ( -0.000 0.957 12.185) 12.222 8.876 ( 0.000 5.041 -13.968) 14.850 10.515 ( -0.000 2.246 8.184) 8.487 10.613 ( -0.000 5.027 8.682) 10.032 10.657 ( 0.000 0.827 -5.154) 5.220 10.896 ( 0.000 13.122 -5.867) 14.374 12.735 ( -0.000 -13.042 17.581) 21.890 13.203 ( 0.000 -6.769 -15.618) 17.022 21.288 ( -0.000 -4.049 1.227) 4.231 21.319 ( 0.000 -5.210 -1.838) 5.525 21.372 ( -0.000 -0.702 2.244) 2.351 21.442 ( 0.000 1.337 -1.694) 2.158 25.132 ( -0.000 -3.029 2.610) 3.999 25.195 ( 0.000 -5.435 -2.316) 5.907 32.518 ( -0.000 -1.229 0.489) 1.322 32.530 ( 0.000 -1.135 -0.480) 1.232 42.961 ( -0.000 -6.025 3.300) 6.869 43.172 ( 0.000 4.497 -1.903) 4.883 43.505 ( 0.000 16.771 -3.528) 17.138 43.594 ( 0.000 35.113 -1.170) 35.132 ======================= Grid point 935 (227/231) ======================= q-point: ( 0.54 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.621 ( -0.165 8.346 34.892) 35.877 4.150 ( 5.225 1.222 -31.608) 32.060 4.459 ( -1.030 21.398 34.606) 40.700 5.004 ( 16.032 12.065 -34.197) 39.649 6.414 ( 21.534 17.759 47.600) 55.180 7.122 ( 2.363 18.186 -42.896) 46.652 7.401 ( -4.106 -18.624 17.326) 25.766 7.640 ( -17.407 -12.517 -9.760) 23.557 7.890 ( -5.438 1.808 7.942) 9.794 8.091 ( 5.415 -5.991 -14.619) 16.701 8.663 ( 5.245 4.280 13.506) 15.107 8.887 ( 3.842 6.656 -15.391) 17.203 10.519 ( -6.435 3.624 8.252) 11.074 10.625 ( 6.566 -4.121 -4.620) 9.025 10.895 ( 11.143 6.925 6.192) 14.507 10.994 ( 0.997 11.279 -5.857) 12.748 12.642 ( -2.316 -17.714 17.381) 24.925 12.901 ( -17.352 -8.677 -15.946) 25.112 21.215 ( -4.399 -3.684 1.274) 5.878 21.238 ( -1.528 -5.737 -1.584) 6.144 21.395 ( 2.014 -1.996 1.897) 3.411 21.423 ( -2.331 0.169 -1.759) 2.925 25.089 ( -2.155 -3.976 1.252) 4.692 25.104 ( -3.173 -5.247 -0.632) 6.164 32.503 ( -0.571 -1.007 0.447) 1.241 32.510 ( -0.683 -1.087 -0.465) 1.365 43.084 ( 9.307 -0.483 1.740) 9.480 43.122 ( -0.841 5.454 -3.229) 6.393 43.910 ( 18.968 22.649 2.026) 29.612 43.962 ( 8.385 33.148 -5.021) 34.558 ======================= Grid point 936 (228/231) ======================= q-point: ( 0.62 0.46 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 1099 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.899 ( -1.111 19.006 22.452) 29.438 4.277 ( 22.700 7.784 -20.408) 31.502 4.777 ( -3.933 16.885 35.210) 39.247 5.277 ( 26.665 6.049 -32.471) 42.450 7.063 ( -19.819 -11.095 -4.470) 23.148 7.108 ( 9.182 2.195 29.376) 30.856 7.153 ( -2.033 18.068 -32.015) 36.817 7.390 ( 15.472 -10.221 9.097) 20.654 7.876 ( -4.040 7.525 7.275) 11.219 8.020 ( 0.099 -5.128 -8.172) 9.648 8.880 ( 4.886 7.237 11.610) 14.527 8.986 ( 9.439 9.614 -16.573) 21.359 10.485 ( -5.264 2.350 6.060) 8.364 10.668 ( 6.356 -7.497 -4.903) 10.983 11.060 ( -0.062 5.133 -5.756) 7.713 11.090 ( 3.700 2.379 2.709) 5.166 12.348 ( -28.370 -8.480 -12.692) 32.216 12.571 ( 2.853 -16.663 20.627) 26.670 21.095 ( -6.544 -2.908 0.882) 7.215 21.167 ( 0.202 -5.117 -0.331) 5.132 21.347 ( -5.136 -0.631 -1.684) 5.441 21.410 ( 1.549 -2.973 0.698) 3.424 25.005 ( -3.287 -3.679 0.685) 4.980 25.010 ( -2.968 -3.589 -0.445) 4.678 32.490 ( -0.314 -0.332 0.228) 0.511 32.491 ( -0.398 -0.357 -0.183) 0.565 43.053 ( -7.565 11.680 -2.185) 14.086 43.420 ( 25.752 -5.536 -3.943) 26.634 44.301 ( 1.621 34.009 -3.455) 34.222 44.596 ( 30.295 17.472 6.169) 35.512 ======================= Grid point 948 (229/231) ======================= q-point: ( 0.54 0.54 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.783 ( -0.000 2.713 3.353) 4.314 4.072 ( 0.000 15.177 -2.890) 15.449 4.762 ( 0.000 8.735 -35.627) 36.683 4.918 ( -0.000 28.194 28.726) 40.250 6.632 ( -0.000 15.520 46.376) 48.904 7.111 ( 0.000 26.052 -40.263) 47.956 7.283 ( -0.000 -24.751 9.969) 26.683 7.729 ( 0.000 -9.491 -12.901) 16.016 7.780 ( 0.000 -6.406 -9.907) 11.798 8.031 ( -0.000 -0.035 12.213) 12.213 8.762 ( -0.000 9.304 14.543) 17.265 8.844 ( 0.000 6.007 -11.397) 12.883 10.494 ( 0.000 -2.576 -4.645) 5.311 10.759 ( -0.000 1.671 6.078) 6.304 10.834 ( -0.000 11.295 7.669) 13.652 11.055 ( 0.000 7.422 -3.963) 8.414 12.512 ( -0.000 -26.825 13.007) 29.812 12.881 ( 0.000 -6.998 -20.377) 21.546 21.168 ( -0.000 -7.412 -1.313) 7.527 21.236 ( -0.000 -3.173 0.292) 3.187 21.354 ( -0.000 -3.701 2.441) 4.433 21.442 ( 0.000 0.296 -1.083) 1.123 25.068 ( -0.000 -5.132 0.541) 5.161 25.073 ( -0.000 -5.516 -0.295) 5.524 32.499 ( -0.000 -1.065 0.358) 1.124 32.502 ( 0.000 -1.101 -0.452) 1.190 42.922 ( -0.000 -1.682 3.308) 3.712 43.427 ( -0.000 18.183 8.139) 19.921 43.801 ( 0.000 19.030 -5.750) 19.879 44.277 ( 0.000 38.084 -6.113) 38.572 ======================= Grid point 1105 (230/231) ======================= q-point: ( 0.46 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.821 ( -0.000 -0.000 37.007) 37.007 3.821 ( -0.000 0.000 37.007) 37.007 4.376 ( 0.000 -0.000 -34.568) 34.568 4.376 ( 0.000 0.000 -34.568) 34.568 5.931 ( -0.000 -0.000 60.032) 60.032 6.823 ( 0.000 0.000 -54.833) 54.833 7.819 ( -0.000 -0.000 18.765) 18.765 7.819 ( -0.000 0.000 18.765) 18.765 8.104 ( 0.000 -0.000 -17.984) 17.984 8.104 ( 0.000 0.000 -17.984) 17.984 8.587 ( -0.000 -0.000 10.483) 10.483 8.758 ( 0.000 0.000 -11.719) 11.719 10.558 ( -0.000 -0.000 8.112) 8.112 10.558 ( -0.000 -0.000 8.112) 8.112 10.672 ( 0.000 0.000 -6.576) 6.576 10.672 ( 0.000 0.000 -6.576) 6.576 12.950 ( -0.000 -0.000 17.704) 17.704 13.208 ( 0.000 0.000 -15.506) 15.506 21.362 ( 0.000 -0.000 1.838) 1.838 21.362 ( 0.000 0.000 1.838) 1.838 21.391 ( 0.000 -0.000 -1.867) 1.867 21.391 ( -0.000 -0.000 -1.867) 1.867 25.180 ( -0.000 -0.000 3.336) 3.336 25.233 ( 0.000 0.000 -3.602) 3.602 32.534 ( -0.000 -0.000 0.425) 0.425 32.540 ( 0.000 0.000 -0.430) 0.430 43.148 ( 0.000 0.000 4.247) 4.247 43.148 ( 0.000 0.000 4.247) 4.247 43.214 ( 0.000 -0.000 -4.274) 4.274 43.214 ( 0.000 -0.000 -4.274) 4.274 ======================= Grid point 1106 (231/231) ======================= q-point: ( 0.54 0.46 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 Number of triplets: 595 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.780 ( -6.739 -3.891 34.493) 35.360 4.003 ( -1.858 -1.073 -34.565) 34.631 4.344 ( 13.671 7.893 36.576) 39.837 4.576 ( 20.324 11.734 -33.153) 40.619 6.407 ( 16.009 9.243 53.410) 56.519 6.639 ( 8.526 4.922 -53.144) 54.049 7.746 ( -14.832 -8.563 3.936) 17.573 7.850 ( -5.807 -3.352 -3.237) 7.445 7.866 ( -7.899 -4.561 16.003) 18.420 8.080 ( 2.131 1.230 -15.828) 16.018 8.675 ( 3.600 2.079 12.045) 12.742 8.726 ( 2.621 1.513 -13.358) 13.697 10.524 ( -3.070 -1.772 6.579) 7.473 10.677 ( 6.862 3.961 -7.255) 10.743 10.718 ( 4.117 2.377 -2.698) 5.466 10.802 ( 11.780 6.801 3.969) 14.170 12.947 ( -7.279 -4.203 17.496) 19.411 12.993 ( -12.558 -7.250 -15.650) 21.335 21.288 ( -4.930 -2.846 1.582) 5.908 21.313 ( -3.491 -2.016 -1.423) 4.275 21.406 ( -0.275 -0.159 -1.637) 1.667 21.415 ( 1.348 0.778 1.368) 2.073 25.159 ( -3.246 -1.874 2.415) 4.459 25.171 ( -3.767 -2.175 -2.358) 4.948 32.523 ( -1.032 -0.596 0.498) 1.291 32.525 ( -1.038 -0.599 -0.480) 1.291 43.017 ( -5.644 -3.259 -3.764) 7.526 43.164 ( 8.572 4.949 -1.026) 9.951 43.435 ( 13.872 8.009 5.248) 16.856 43.599 ( 25.635 14.800 -1.339) 29.631 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/65910 10.0 1338.306 1338.306 4288.177 0.000 -0.000 -0.000 3/65910 20.0 942.783 942.783 819.854 0.000 -0.000 -0.000 3/65910 30.0 600.195 600.195 354.711 0.000 -0.000 0.000 3/65910 40.0 355.109 355.109 196.049 0.000 -0.000 0.000 3/65910 50.0 223.448 223.448 125.834 0.000 -0.000 0.000 3/65910 60.0 151.951 151.951 89.681 0.000 -0.000 0.000 3/65910 70.0 110.831 110.831 68.942 0.000 -0.000 0.000 3/65910 80.0 85.703 85.703 56.015 0.000 -0.000 0.000 3/65910 90.0 69.411 69.411 47.379 0.000 -0.000 0.000 3/65910 100.0 58.257 58.257 41.259 0.000 -0.000 0.000 3/65910 110.0 50.245 50.245 36.699 0.000 -0.000 0.000 3/65910 120.0 44.248 44.248 33.156 0.000 -0.000 0.000 3/65910 130.0 39.601 39.601 30.309 0.000 -0.000 0.000 3/65910 140.0 35.892 35.892 27.958 0.000 -0.000 0.000 3/65910 150.0 32.861 32.861 25.975 0.000 -0.000 0.000 3/65910 160.0 30.332 30.332 24.273 0.000 -0.000 0.000 3/65910 170.0 28.189 28.189 22.792 0.000 -0.000 0.000 3/65910 180.0 26.345 26.345 21.489 0.000 -0.000 0.000 3/65910 190.0 24.742 24.742 20.333 0.000 -0.000 0.000 3/65910 200.0 23.333 23.333 19.299 0.000 -0.000 0.000 3/65910 210.0 22.084 22.084 18.369 0.000 -0.000 0.000 3/65910 220.0 20.970 20.970 17.528 0.000 -0.000 0.000 3/65910 230.0 19.968 19.968 16.764 0.000 -0.000 0.000 3/65910 240.0 19.064 19.064 16.068 0.000 -0.000 0.000 3/65910 250.0 18.244 18.244 15.431 0.000 -0.000 0.000 3/65910 260.0 17.495 17.495 14.847 0.000 -0.000 0.000 3/65910 270.0 16.811 16.811 14.309 0.000 -0.000 0.000 3/65910 280.0 16.182 16.182 13.814 0.000 -0.000 0.000 3/65910 290.0 15.603 15.603 13.356 0.000 -0.000 0.000 3/65910 300.0 15.068 15.068 12.932 0.000 -0.000 0.000 3/65910 310.0 14.572 14.572 12.539 0.000 -0.000 0.000 3/65910 320.0 14.111 14.111 12.174 0.000 -0.000 0.000 3/65910 330.0 13.683 13.683 11.834 0.000 -0.000 0.000 3/65910 340.0 13.283 13.283 11.517 0.000 -0.000 0.000 3/65910 350.0 12.909 12.909 11.221 0.000 -0.000 0.000 3/65910 360.0 12.559 12.559 10.944 0.000 -0.000 0.000 3/65910 370.0 12.230 12.230 10.685 0.000 -0.000 0.000 3/65910 380.0 11.921 11.921 10.442 0.000 -0.000 0.000 3/65910 390.0 11.631 11.631 10.213 0.000 -0.000 0.000 3/65910 400.0 11.356 11.356 9.998 0.000 -0.000 0.000 3/65910 410.0 11.097 11.097 9.796 0.000 -0.000 0.000 3/65910 420.0 10.852 10.852 9.604 0.000 -0.000 0.000 3/65910 430.0 10.619 10.619 9.424 0.000 -0.000 0.000 3/65910 440.0 10.398 10.398 9.252 0.000 -0.000 0.000 3/65910 450.0 10.189 10.189 9.090 0.000 -0.000 0.000 3/65910 460.0 9.989 9.989 8.936 0.000 -0.000 0.000 3/65910 470.0 9.799 9.799 8.789 0.000 -0.000 0.000 3/65910 480.0 9.617 9.617 8.650 0.000 -0.000 0.000 3/65910 490.0 9.444 9.444 8.516 0.000 -0.000 0.000 3/65910 500.0 9.278 9.278 8.389 0.000 -0.000 0.000 3/65910 510.0 9.119 9.119 8.267 0.000 -0.000 0.000 3/65910 520.0 8.967 8.967 8.151 0.000 -0.000 0.000 3/65910 530.0 8.820 8.820 8.039 0.000 -0.000 0.000 3/65910 540.0 8.680 8.680 7.931 0.000 -0.000 0.000 3/65910 550.0 8.545 8.545 7.828 0.000 -0.000 0.000 3/65910 560.0 8.415 8.415 7.728 0.000 -0.000 0.000 3/65910 570.0 8.289 8.289 7.632 0.000 -0.000 0.000 3/65910 580.0 8.169 8.169 7.540 0.000 -0.000 0.000 3/65910 590.0 8.052 8.052 7.450 0.000 -0.000 0.000 3/65910 600.0 7.939 7.939 7.364 0.000 -0.000 0.000 3/65910 610.0 7.830 7.830 7.280 0.000 -0.000 0.000 3/65910 620.0 7.724 7.724 7.199 0.000 -0.000 0.000 3/65910 630.0 7.622 7.622 7.120 0.000 -0.000 0.000 3/65910 640.0 7.523 7.523 7.043 0.000 -0.000 0.000 3/65910 650.0 7.427 7.427 6.969 0.000 -0.000 0.000 3/65910 660.0 7.334 7.334 6.896 0.000 -0.000 0.000 3/65910 670.0 7.243 7.243 6.826 0.000 -0.000 0.000 3/65910 680.0 7.155 7.155 6.757 0.000 -0.000 0.000 3/65910 690.0 7.070 7.070 6.690 0.000 -0.000 0.000 3/65910 700.0 6.986 6.986 6.625 0.000 -0.000 0.000 3/65910 710.0 6.905 6.905 6.561 0.000 -0.000 0.000 3/65910 720.0 6.826 6.826 6.499 0.000 -0.000 0.000 3/65910 730.0 6.749 6.749 6.438 0.000 -0.000 0.000 3/65910 740.0 6.674 6.674 6.379 0.000 -0.000 0.000 3/65910 750.0 6.601 6.601 6.321 0.000 -0.000 0.000 3/65910 760.0 6.530 6.530 6.264 0.000 -0.000 0.000 3/65910 770.0 6.460 6.460 6.208 0.000 -0.000 0.000 3/65910 780.0 6.392 6.392 6.153 0.000 -0.000 0.000 3/65910 790.0 6.326 6.326 6.099 0.000 -0.000 0.000 3/65910 800.0 6.261 6.261 6.047 0.000 -0.000 0.000 3/65910 810.0 6.197 6.197 5.995 0.000 -0.000 0.000 3/65910 820.0 6.135 6.135 5.945 0.000 -0.000 0.000 3/65910 830.0 6.074 6.074 5.895 0.000 -0.000 0.000 3/65910 840.0 6.015 6.015 5.846 0.000 -0.000 0.000 3/65910 850.0 5.956 5.956 5.798 0.000 -0.000 0.000 3/65910 860.0 5.899 5.899 5.751 0.000 -0.000 0.000 3/65910 870.0 5.843 5.843 5.705 0.000 -0.000 0.000 3/65910 880.0 5.788 5.788 5.659 0.000 -0.000 0.000 3/65910 890.0 5.735 5.735 5.614 0.000 -0.000 0.000 3/65910 900.0 5.682 5.682 5.570 0.000 -0.000 0.000 3/65910 910.0 5.630 5.630 5.527 0.000 -0.000 0.000 3/65910 920.0 5.580 5.580 5.484 0.000 -0.000 0.000 3/65910 930.0 5.530 5.530 5.442 0.000 -0.000 0.000 3/65910 940.0 5.481 5.481 5.401 0.000 -0.000 0.000 3/65910 950.0 5.433 5.433 5.360 0.000 -0.000 0.000 3/65910 960.0 5.386 5.386 5.320 0.000 -0.000 0.000 3/65910 970.0 5.340 5.340 5.281 0.000 -0.000 0.000 3/65910 980.0 5.294 5.294 5.242 0.000 -0.000 0.000 3/65910 990.0 5.250 5.250 5.203 0.000 -0.000 0.000 3/65910 1000.0 5.206 5.206 5.165 0.000 -0.000 0.000 3/65910 Thermal conductivity related properties were written into "kappa-m131313.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:45:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|