----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:03:03]------------------------- Compiled with OpenMP support (max 48 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 2.438973459776555 1.408141983548344 4.526485443333328 b -2.438973459776550 1.408141983548344 4.526485443333328 c 0.000000000000003 -2.816283967096692 4.526485443333328 Atomic positions (fractional): *1 F 0.75000000000000 0.08530937048760 0.41469062951240 18.998 2 F 0.08530937048760 0.41469062951240 0.75000000000000 18.998 3 F 0.58530937048760 0.25000000000000 0.91469062951240 18.998 4 F 0.91469062951240 0.58530937048760 0.25000000000000 18.998 5 F 0.25000000000000 0.91469062951240 0.58530937048760 18.998 6 F 0.41469062951240 0.75000000000000 0.08530937048760 18.998 *7 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 8 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.877946919553105 0.000000000000000 0.000000000000000 b -2.438973459776553 4.224425950645037 0.000000000000000 c 0.000000000000000 0.000000000000000 13.579456329999999 Atomic positions (fractional): *1 F 0.66666666666667 0.66864270382093 0.08333333333333 18.998 > 1 2 F 0.00197603715426 0.33333333333333 0.08333333333333 18.998 > 2 3 F 0.33530937048760 0.33530937048760 0.25000000000000 18.998 > 3 4 F 0.66469062951240 0.00000000000000 0.25000000000000 18.998 > 4 5 F 0.00000000000000 0.66469062951240 0.25000000000000 18.998 > 5 6 F 0.33135729617907 0.99802396284574 0.08333333333333 18.998 > 6 7 F 0.33333333333333 0.00197603715426 0.41666666666667 18.998 > 1 8 F 0.66864270382093 0.66666666666667 0.41666666666667 18.998 > 2 9 F 0.00197603715426 0.66864270382093 0.58333333333333 18.998 > 3 10 F 0.33135729617907 0.33333333333333 0.58333333333333 18.998 > 4 11 F 0.66666666666667 0.99802396284574 0.58333333333333 18.998 > 5 12 F 0.99802396284574 0.33135729617907 0.41666666666667 18.998 > 6 13 F 0.00000000000000 0.33530937048760 0.75000000000000 18.998 > 1 14 F 0.33530937048760 0.00000000000000 0.75000000000000 18.998 > 2 15 F 0.66864270382093 0.00197603715426 0.91666666666667 18.998 > 3 16 F 0.99802396284574 0.66666666666667 0.91666666666667 18.998 > 4 17 F 0.33333333333333 0.33135729617907 0.91666666666667 18.998 > 5 18 F 0.66469062951240 0.66469062951240 0.75000000000000 18.998 > 6 *19 Rh 0.33333333333333 0.66666666666667 0.16666666666667 102.906 > 7 20 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 8 21 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 7 22 Rh 0.66666666666667 0.33333333333333 0.33333333333333 102.906 > 8 23 Rh 0.66666666666667 0.33333333333333 0.83333333333333 102.906 > 7 24 Rh 0.33333333333333 0.66666666666667 0.66666666666667 102.906 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.755893839106211 0.000000000000000 0.000000000000000 b -4.877946919553106 8.448851901290073 0.000000000000000 c 0.000000000000000 0.000000000000000 13.579456329999999 Atomic positions (fractional): *1 F 0.33333333333333 0.33432135191047 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.33432135191047 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.83432135191047 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.83432135191047 0.08333333333333 18.998 > 1 5 F 0.00098801857713 0.16666666666667 0.08333333333333 18.998 > 2 6 F 0.50098801857713 0.16666666666667 0.08333333333333 18.998 > 2 7 F 0.00098801857713 0.66666666666667 0.08333333333333 18.998 > 2 8 F 0.50098801857713 0.66666666666667 0.08333333333333 18.998 > 2 9 F 0.16765468524380 0.16765468524380 0.25000000000000 18.998 > 3 10 F 0.66765468524380 0.16765468524380 0.25000000000000 18.998 > 3 11 F 0.16765468524380 0.66765468524380 0.25000000000000 18.998 > 3 12 F 0.66765468524380 0.66765468524380 0.25000000000000 18.998 > 3 13 F 0.33234531475620 0.00000000000000 0.25000000000000 18.998 > 4 14 F 0.83234531475620 0.00000000000000 0.25000000000000 18.998 > 4 15 F 0.33234531475620 0.50000000000000 0.25000000000000 18.998 > 4 16 F 0.83234531475620 0.50000000000000 0.25000000000000 18.998 > 4 17 F 0.00000000000000 0.33234531475620 0.25000000000000 18.998 > 5 18 F 0.50000000000000 0.33234531475620 0.25000000000000 18.998 > 5 19 F 0.00000000000000 0.83234531475620 0.25000000000000 18.998 > 5 20 F 0.50000000000000 0.83234531475620 0.25000000000000 18.998 > 5 21 F 0.16567864808953 0.49901198142287 0.08333333333333 18.998 > 6 22 F 0.66567864808953 0.49901198142287 0.08333333333333 18.998 > 6 23 F 0.16567864808953 0.99901198142287 0.08333333333333 18.998 > 6 24 F 0.66567864808953 0.99901198142287 0.08333333333333 18.998 > 6 25 F 0.16666666666667 0.00098801857713 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.00098801857713 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.50098801857713 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.50098801857713 0.41666666666667 18.998 > 1 29 F 0.33432135191047 0.33333333333333 0.41666666666667 18.998 > 2 30 F 0.83432135191047 0.33333333333333 0.41666666666667 18.998 > 2 31 F 0.33432135191047 0.83333333333333 0.41666666666667 18.998 > 2 32 F 0.83432135191047 0.83333333333333 0.41666666666667 18.998 > 2 33 F 0.00098801857713 0.33432135191047 0.58333333333333 18.998 > 3 34 F 0.50098801857713 0.33432135191047 0.58333333333333 18.998 > 3 35 F 0.00098801857713 0.83432135191047 0.58333333333333 18.998 > 3 36 F 0.50098801857713 0.83432135191047 0.58333333333333 18.998 > 3 37 F 0.16567864808953 0.16666666666667 0.58333333333333 18.998 > 4 38 F 0.66567864808953 0.16666666666667 0.58333333333333 18.998 > 4 39 F 0.16567864808953 0.66666666666667 0.58333333333333 18.998 > 4 40 F 0.66567864808953 0.66666666666667 0.58333333333333 18.998 > 4 41 F 0.33333333333333 0.49901198142287 0.58333333333333 18.998 > 5 42 F 0.83333333333333 0.49901198142287 0.58333333333333 18.998 > 5 43 F 0.33333333333333 0.99901198142287 0.58333333333333 18.998 > 5 44 F 0.83333333333333 0.99901198142287 0.58333333333333 18.998 > 5 45 F 0.49901198142287 0.16567864808953 0.41666666666667 18.998 > 6 46 F 0.99901198142287 0.16567864808953 0.41666666666667 18.998 > 6 47 F 0.49901198142287 0.66567864808953 0.41666666666667 18.998 > 6 48 F 0.99901198142287 0.66567864808953 0.41666666666667 18.998 > 6 49 F 0.00000000000000 0.16765468524380 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.16765468524380 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.66765468524380 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.66765468524380 0.75000000000000 18.998 > 1 53 F 0.16765468524380 0.00000000000000 0.75000000000000 18.998 > 2 54 F 0.66765468524380 0.00000000000000 0.75000000000000 18.998 > 2 55 F 0.16765468524380 0.50000000000000 0.75000000000000 18.998 > 2 56 F 0.66765468524380 0.50000000000000 0.75000000000000 18.998 > 2 57 F 0.33432135191047 0.00098801857713 0.91666666666667 18.998 > 3 58 F 0.83432135191047 0.00098801857713 0.91666666666667 18.998 > 3 59 F 0.33432135191047 0.50098801857713 0.91666666666667 18.998 > 3 60 F 0.83432135191047 0.50098801857713 0.91666666666667 18.998 > 3 61 F 0.49901198142287 0.33333333333333 0.91666666666667 18.998 > 4 62 F 0.99901198142287 0.33333333333333 0.91666666666667 18.998 > 4 63 F 0.49901198142287 0.83333333333333 0.91666666666667 18.998 > 4 64 F 0.99901198142287 0.83333333333333 0.91666666666667 18.998 > 4 65 F 0.16666666666667 0.16567864808953 0.91666666666667 18.998 > 5 66 F 0.66666666666667 0.16567864808953 0.91666666666667 18.998 > 5 67 F 0.16666666666667 0.66567864808953 0.91666666666667 18.998 > 5 68 F 0.66666666666667 0.66567864808953 0.91666666666667 18.998 > 5 69 F 0.33234531475620 0.33234531475620 0.75000000000000 18.998 > 6 70 F 0.83234531475620 0.33234531475620 0.75000000000000 18.998 > 6 71 F 0.33234531475620 0.83234531475620 0.75000000000000 18.998 > 6 72 F 0.83234531475620 0.83234531475620 0.75000000000000 18.998 > 6 *73 Rh 0.16666666666667 0.33333333333333 0.16666666666667 102.906 > 7 74 Rh 0.66666666666667 0.33333333333333 0.16666666666667 102.906 > 7 75 Rh 0.16666666666667 0.83333333333333 0.16666666666667 102.906 > 7 76 Rh 0.66666666666667 0.83333333333333 0.16666666666667 102.906 > 7 77 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 8 78 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 8 79 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 8 80 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 8 81 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 7 82 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 7 83 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 7 84 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 7 85 Rh 0.33333333333333 0.16666666666667 0.33333333333333 102.906 > 8 86 Rh 0.83333333333333 0.16666666666667 0.33333333333333 102.906 > 8 87 Rh 0.33333333333333 0.66666666666667 0.33333333333333 102.906 > 8 88 Rh 0.83333333333333 0.66666666666667 0.33333333333333 102.906 > 8 89 Rh 0.33333333333333 0.16666666666667 0.83333333333333 102.906 > 7 90 Rh 0.83333333333333 0.16666666666667 0.83333333333333 102.906 > 7 91 Rh 0.33333333333333 0.66666666666667 0.83333333333333 102.906 > 7 92 Rh 0.83333333333333 0.66666666666667 0.83333333333333 102.906 > 7 93 Rh 0.16666666666667 0.33333333333333 0.66666666666667 102.906 > 8 94 Rh 0.66666666666667 0.33333333333333 0.66666666666667 102.906 > 8 95 Rh 0.16666666666667 0.83333333333333 0.66666666666667 102.906 > 8 96 Rh 0.66666666666667 0.83333333333333 0.66666666666667 102.906 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2528717 -0.0000000 0.0000000 -0.0000000 8.2528717 0.0000000 0.0000000 0.0000000 9.2265099 -------------------------- Born effective charges -------------------------- 1 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 2 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 3 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 4 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 5 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 6 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 7 Rh 2.2228506 -0.8284973 0.0000000 0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 8 Rh 2.2228506 0.8284973 0.0000000 -0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 176 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 80 / 80 - Time: 0.182 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.198 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 4992/4992 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 335 Number of blocks in projector: 176 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: 158 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 49 Use standard eigh solver. Tree of FC basis block matrices: - (335, 327), data: False |-- (49, 47), data: True |-- (128, 126), data: True |-- (158, 154), 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 19:03:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:03:07]------------------------- Compiled with OpenMP support (max 48 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 2.438973459776555 1.408141983548344 4.526485443333328 b -2.438973459776550 1.408141983548344 4.526485443333328 c 0.000000000000003 -2.816283967096692 4.526485443333328 Atomic positions (fractional): 1 F 0.75000000000000 0.08530937048760 0.41469062951240 18.998 2 F 0.08530937048760 0.41469062951240 0.75000000000000 18.998 3 F 0.58530937048760 0.25000000000000 0.91469062951240 18.998 4 F 0.91469062951240 0.58530937048760 0.25000000000000 18.998 5 F 0.25000000000000 0.91469062951240 0.58530937048760 18.998 6 F 0.41469062951240 0.75000000000000 0.08530937048760 18.998 7 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 8 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.755893839106211 0.000000000000000 0.000000000000000 b -4.877946919553106 8.448851901290073 0.000000000000000 c 0.000000000000000 0.000000000000000 13.579456329999999 Atomic positions (fractional): 1 F 0.33333333333333 0.33432135191047 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.33432135191047 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.83432135191047 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.83432135191047 0.08333333333333 18.998 > 1 5 F 0.00098801857713 0.16666666666667 0.08333333333333 18.998 > 5 6 F 0.50098801857713 0.16666666666667 0.08333333333333 18.998 > 5 7 F 0.00098801857713 0.66666666666667 0.08333333333333 18.998 > 5 8 F 0.50098801857713 0.66666666666667 0.08333333333333 18.998 > 5 9 F 0.16765468524380 0.16765468524380 0.25000000000000 18.998 > 9 10 F 0.66765468524380 0.16765468524380 0.25000000000000 18.998 > 9 11 F 0.16765468524380 0.66765468524380 0.25000000000000 18.998 > 9 12 F 0.66765468524380 0.66765468524380 0.25000000000000 18.998 > 9 13 F 0.33234531475620 0.00000000000000 0.25000000000000 18.998 > 13 14 F 0.83234531475620 0.00000000000000 0.25000000000000 18.998 > 13 15 F 0.33234531475620 0.50000000000000 0.25000000000000 18.998 > 13 16 F 0.83234531475620 0.50000000000000 0.25000000000000 18.998 > 13 17 F 0.00000000000000 0.33234531475620 0.25000000000000 18.998 > 17 18 F 0.50000000000000 0.33234531475620 0.25000000000000 18.998 > 17 19 F 0.00000000000000 0.83234531475620 0.25000000000000 18.998 > 17 20 F 0.50000000000000 0.83234531475620 0.25000000000000 18.998 > 17 21 F 0.16567864808953 0.49901198142287 0.08333333333333 18.998 > 21 22 F 0.66567864808953 0.49901198142287 0.08333333333333 18.998 > 21 23 F 0.16567864808953 0.99901198142287 0.08333333333333 18.998 > 21 24 F 0.66567864808953 0.99901198142287 0.08333333333333 18.998 > 21 25 F 0.16666666666667 0.00098801857713 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.00098801857713 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.50098801857713 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.50098801857713 0.41666666666667 18.998 > 1 29 F 0.33432135191047 0.33333333333333 0.41666666666667 18.998 > 5 30 F 0.83432135191047 0.33333333333333 0.41666666666667 18.998 > 5 31 F 0.33432135191047 0.83333333333333 0.41666666666667 18.998 > 5 32 F 0.83432135191047 0.83333333333333 0.41666666666667 18.998 > 5 33 F 0.00098801857713 0.33432135191047 0.58333333333333 18.998 > 9 34 F 0.50098801857713 0.33432135191047 0.58333333333333 18.998 > 9 35 F 0.00098801857713 0.83432135191047 0.58333333333333 18.998 > 9 36 F 0.50098801857713 0.83432135191047 0.58333333333333 18.998 > 9 37 F 0.16567864808953 0.16666666666667 0.58333333333333 18.998 > 13 38 F 0.66567864808953 0.16666666666667 0.58333333333333 18.998 > 13 39 F 0.16567864808953 0.66666666666667 0.58333333333333 18.998 > 13 40 F 0.66567864808953 0.66666666666667 0.58333333333333 18.998 > 13 41 F 0.33333333333333 0.49901198142287 0.58333333333333 18.998 > 17 42 F 0.83333333333333 0.49901198142287 0.58333333333333 18.998 > 17 43 F 0.33333333333333 0.99901198142287 0.58333333333333 18.998 > 17 44 F 0.83333333333333 0.99901198142287 0.58333333333333 18.998 > 17 45 F 0.49901198142287 0.16567864808953 0.41666666666667 18.998 > 21 46 F 0.99901198142287 0.16567864808953 0.41666666666667 18.998 > 21 47 F 0.49901198142287 0.66567864808953 0.41666666666667 18.998 > 21 48 F 0.99901198142287 0.66567864808953 0.41666666666667 18.998 > 21 49 F 0.00000000000000 0.16765468524380 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.16765468524380 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.66765468524380 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.66765468524380 0.75000000000000 18.998 > 1 53 F 0.16765468524380 0.00000000000000 0.75000000000000 18.998 > 5 54 F 0.66765468524380 0.00000000000000 0.75000000000000 18.998 > 5 55 F 0.16765468524380 0.50000000000000 0.75000000000000 18.998 > 5 56 F 0.66765468524380 0.50000000000000 0.75000000000000 18.998 > 5 57 F 0.33432135191047 0.00098801857713 0.91666666666667 18.998 > 9 58 F 0.83432135191047 0.00098801857713 0.91666666666667 18.998 > 9 59 F 0.33432135191047 0.50098801857713 0.91666666666667 18.998 > 9 60 F 0.83432135191047 0.50098801857713 0.91666666666667 18.998 > 9 61 F 0.49901198142287 0.33333333333333 0.91666666666667 18.998 > 13 62 F 0.99901198142287 0.33333333333333 0.91666666666667 18.998 > 13 63 F 0.49901198142287 0.83333333333333 0.91666666666667 18.998 > 13 64 F 0.99901198142287 0.83333333333333 0.91666666666667 18.998 > 13 65 F 0.16666666666667 0.16567864808953 0.91666666666667 18.998 > 17 66 F 0.66666666666667 0.16567864808953 0.91666666666667 18.998 > 17 67 F 0.16666666666667 0.66567864808953 0.91666666666667 18.998 > 17 68 F 0.66666666666667 0.66567864808953 0.91666666666667 18.998 > 17 69 F 0.33234531475620 0.33234531475620 0.75000000000000 18.998 > 21 70 F 0.83234531475620 0.33234531475620 0.75000000000000 18.998 > 21 71 F 0.33234531475620 0.83234531475620 0.75000000000000 18.998 > 21 72 F 0.83234531475620 0.83234531475620 0.75000000000000 18.998 > 21 73 Rh 0.16666666666667 0.33333333333333 0.16666666666667 102.906 > 73 74 Rh 0.66666666666667 0.33333333333333 0.16666666666667 102.906 > 73 75 Rh 0.16666666666667 0.83333333333333 0.16666666666667 102.906 > 73 76 Rh 0.66666666666667 0.83333333333333 0.16666666666667 102.906 > 73 77 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 77 78 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 77 79 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 77 80 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 77 81 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 73 82 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 73 83 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 73 84 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 73 85 Rh 0.33333333333333 0.16666666666667 0.33333333333333 102.906 > 77 86 Rh 0.83333333333333 0.16666666666667 0.33333333333333 102.906 > 77 87 Rh 0.33333333333333 0.66666666666667 0.33333333333333 102.906 > 77 88 Rh 0.83333333333333 0.66666666666667 0.33333333333333 102.906 > 77 89 Rh 0.33333333333333 0.16666666666667 0.83333333333333 102.906 > 73 90 Rh 0.83333333333333 0.16666666666667 0.83333333333333 102.906 > 73 91 Rh 0.33333333333333 0.66666666666667 0.83333333333333 102.906 > 73 92 Rh 0.83333333333333 0.66666666666667 0.83333333333333 102.906 > 73 93 Rh 0.16666666666667 0.33333333333333 0.66666666666667 102.906 > 77 94 Rh 0.66666666666667 0.33333333333333 0.66666666666667 102.906 > 77 95 Rh 0.16666666666667 0.83333333333333 0.66666666666667 102.906 > 77 96 Rh 0.66666666666667 0.83333333333333 0.66666666666667 102.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.2528717 -0.0000000 0.0000000 -0.0000000 8.2528717 0.0000000 0.0000000 0.0000000 9.2265099 -------------------------- Born effective charges -------------------------- 1 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 2 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 3 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 4 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 5 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 6 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 7 Rh 2.2228506 -0.8284973 0.0000000 0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 8 Rh 2.2228506 0.8284973 0.0000000 -0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 ---------------------------------------------------------------------------- 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[ 73, 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: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000007 (xy) 0.00000007 (xy) 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 19:03:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:03:13]------------------------- Compiled with OpenMP support (max 48 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 2.438973459776555 1.408141983548344 4.526485443333328 b -2.438973459776550 1.408141983548344 4.526485443333328 c 0.000000000000003 -2.816283967096692 4.526485443333328 Atomic positions (fractional): 1 F 0.75000000000000 0.08530937048760 0.41469062951240 18.998 2 F 0.08530937048760 0.41469062951240 0.75000000000000 18.998 3 F 0.58530937048760 0.25000000000000 0.91469062951240 18.998 4 F 0.91469062951240 0.58530937048760 0.25000000000000 18.998 5 F 0.25000000000000 0.91469062951240 0.58530937048760 18.998 6 F 0.41469062951240 0.75000000000000 0.08530937048760 18.998 7 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 8 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.755893839106211 0.000000000000000 0.000000000000000 b -4.877946919553106 8.448851901290073 0.000000000000000 c 0.000000000000000 0.000000000000000 13.579456329999999 Atomic positions (fractional): 1 F 0.33333333333333 0.33432135191047 0.08333333333333 18.998 > 1 2 F 0.83333333333333 0.33432135191047 0.08333333333333 18.998 > 1 3 F 0.33333333333333 0.83432135191047 0.08333333333333 18.998 > 1 4 F 0.83333333333333 0.83432135191047 0.08333333333333 18.998 > 1 5 F 0.00098801857713 0.16666666666667 0.08333333333333 18.998 > 5 6 F 0.50098801857713 0.16666666666667 0.08333333333333 18.998 > 5 7 F 0.00098801857713 0.66666666666667 0.08333333333333 18.998 > 5 8 F 0.50098801857713 0.66666666666667 0.08333333333333 18.998 > 5 9 F 0.16765468524380 0.16765468524380 0.25000000000000 18.998 > 9 10 F 0.66765468524380 0.16765468524380 0.25000000000000 18.998 > 9 11 F 0.16765468524380 0.66765468524380 0.25000000000000 18.998 > 9 12 F 0.66765468524380 0.66765468524380 0.25000000000000 18.998 > 9 13 F 0.33234531475620 0.00000000000000 0.25000000000000 18.998 > 13 14 F 0.83234531475620 0.00000000000000 0.25000000000000 18.998 > 13 15 F 0.33234531475620 0.50000000000000 0.25000000000000 18.998 > 13 16 F 0.83234531475620 0.50000000000000 0.25000000000000 18.998 > 13 17 F 0.00000000000000 0.33234531475620 0.25000000000000 18.998 > 17 18 F 0.50000000000000 0.33234531475620 0.25000000000000 18.998 > 17 19 F 0.00000000000000 0.83234531475620 0.25000000000000 18.998 > 17 20 F 0.50000000000000 0.83234531475620 0.25000000000000 18.998 > 17 21 F 0.16567864808953 0.49901198142287 0.08333333333333 18.998 > 21 22 F 0.66567864808953 0.49901198142287 0.08333333333333 18.998 > 21 23 F 0.16567864808953 0.99901198142287 0.08333333333333 18.998 > 21 24 F 0.66567864808953 0.99901198142287 0.08333333333333 18.998 > 21 25 F 0.16666666666667 0.00098801857713 0.41666666666667 18.998 > 1 26 F 0.66666666666667 0.00098801857713 0.41666666666667 18.998 > 1 27 F 0.16666666666667 0.50098801857713 0.41666666666667 18.998 > 1 28 F 0.66666666666667 0.50098801857713 0.41666666666667 18.998 > 1 29 F 0.33432135191047 0.33333333333333 0.41666666666667 18.998 > 5 30 F 0.83432135191047 0.33333333333333 0.41666666666667 18.998 > 5 31 F 0.33432135191047 0.83333333333333 0.41666666666667 18.998 > 5 32 F 0.83432135191047 0.83333333333333 0.41666666666667 18.998 > 5 33 F 0.00098801857713 0.33432135191047 0.58333333333333 18.998 > 9 34 F 0.50098801857713 0.33432135191047 0.58333333333333 18.998 > 9 35 F 0.00098801857713 0.83432135191047 0.58333333333333 18.998 > 9 36 F 0.50098801857713 0.83432135191047 0.58333333333333 18.998 > 9 37 F 0.16567864808953 0.16666666666667 0.58333333333333 18.998 > 13 38 F 0.66567864808953 0.16666666666667 0.58333333333333 18.998 > 13 39 F 0.16567864808953 0.66666666666667 0.58333333333333 18.998 > 13 40 F 0.66567864808953 0.66666666666667 0.58333333333333 18.998 > 13 41 F 0.33333333333333 0.49901198142287 0.58333333333333 18.998 > 17 42 F 0.83333333333333 0.49901198142287 0.58333333333333 18.998 > 17 43 F 0.33333333333333 0.99901198142287 0.58333333333333 18.998 > 17 44 F 0.83333333333333 0.99901198142287 0.58333333333333 18.998 > 17 45 F 0.49901198142287 0.16567864808953 0.41666666666667 18.998 > 21 46 F 0.99901198142287 0.16567864808953 0.41666666666667 18.998 > 21 47 F 0.49901198142287 0.66567864808953 0.41666666666667 18.998 > 21 48 F 0.99901198142287 0.66567864808953 0.41666666666667 18.998 > 21 49 F 0.00000000000000 0.16765468524380 0.75000000000000 18.998 > 1 50 F 0.50000000000000 0.16765468524380 0.75000000000000 18.998 > 1 51 F 0.00000000000000 0.66765468524380 0.75000000000000 18.998 > 1 52 F 0.50000000000000 0.66765468524380 0.75000000000000 18.998 > 1 53 F 0.16765468524380 0.00000000000000 0.75000000000000 18.998 > 5 54 F 0.66765468524380 0.00000000000000 0.75000000000000 18.998 > 5 55 F 0.16765468524380 0.50000000000000 0.75000000000000 18.998 > 5 56 F 0.66765468524380 0.50000000000000 0.75000000000000 18.998 > 5 57 F 0.33432135191047 0.00098801857713 0.91666666666667 18.998 > 9 58 F 0.83432135191047 0.00098801857713 0.91666666666667 18.998 > 9 59 F 0.33432135191047 0.50098801857713 0.91666666666667 18.998 > 9 60 F 0.83432135191047 0.50098801857713 0.91666666666667 18.998 > 9 61 F 0.49901198142287 0.33333333333333 0.91666666666667 18.998 > 13 62 F 0.99901198142287 0.33333333333333 0.91666666666667 18.998 > 13 63 F 0.49901198142287 0.83333333333333 0.91666666666667 18.998 > 13 64 F 0.99901198142287 0.83333333333333 0.91666666666667 18.998 > 13 65 F 0.16666666666667 0.16567864808953 0.91666666666667 18.998 > 17 66 F 0.66666666666667 0.16567864808953 0.91666666666667 18.998 > 17 67 F 0.16666666666667 0.66567864808953 0.91666666666667 18.998 > 17 68 F 0.66666666666667 0.66567864808953 0.91666666666667 18.998 > 17 69 F 0.33234531475620 0.33234531475620 0.75000000000000 18.998 > 21 70 F 0.83234531475620 0.33234531475620 0.75000000000000 18.998 > 21 71 F 0.33234531475620 0.83234531475620 0.75000000000000 18.998 > 21 72 F 0.83234531475620 0.83234531475620 0.75000000000000 18.998 > 21 73 Rh 0.16666666666667 0.33333333333333 0.16666666666667 102.906 > 73 74 Rh 0.66666666666667 0.33333333333333 0.16666666666667 102.906 > 73 75 Rh 0.16666666666667 0.83333333333333 0.16666666666667 102.906 > 73 76 Rh 0.66666666666667 0.83333333333333 0.16666666666667 102.906 > 73 77 Rh 0.00000000000000 0.00000000000000 0.00000000000000 102.906 > 77 78 Rh 0.50000000000000 0.00000000000000 0.00000000000000 102.906 > 77 79 Rh 0.00000000000000 0.50000000000000 0.00000000000000 102.906 > 77 80 Rh 0.50000000000000 0.50000000000000 0.00000000000000 102.906 > 77 81 Rh 0.00000000000000 0.00000000000000 0.50000000000000 102.906 > 73 82 Rh 0.50000000000000 0.00000000000000 0.50000000000000 102.906 > 73 83 Rh 0.00000000000000 0.50000000000000 0.50000000000000 102.906 > 73 84 Rh 0.50000000000000 0.50000000000000 0.50000000000000 102.906 > 73 85 Rh 0.33333333333333 0.16666666666667 0.33333333333333 102.906 > 77 86 Rh 0.83333333333333 0.16666666666667 0.33333333333333 102.906 > 77 87 Rh 0.33333333333333 0.66666666666667 0.33333333333333 102.906 > 77 88 Rh 0.83333333333333 0.66666666666667 0.33333333333333 102.906 > 77 89 Rh 0.33333333333333 0.16666666666667 0.83333333333333 102.906 > 73 90 Rh 0.83333333333333 0.16666666666667 0.83333333333333 102.906 > 73 91 Rh 0.33333333333333 0.66666666666667 0.83333333333333 102.906 > 73 92 Rh 0.83333333333333 0.66666666666667 0.83333333333333 102.906 > 73 93 Rh 0.16666666666667 0.33333333333333 0.66666666666667 102.906 > 77 94 Rh 0.66666666666667 0.33333333333333 0.66666666666667 102.906 > 77 95 Rh 0.16666666666667 0.83333333333333 0.66666666666667 102.906 > 77 96 Rh 0.66666666666667 0.83333333333333 0.66666666666667 102.906 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.2528717 -0.0000000 0.0000000 -0.0000000 8.2528717 0.0000000 0.0000000 0.0000000 9.2265099 -------------------------- Born effective charges -------------------------- 1 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 2 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 3 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 4 F -0.2063342 0.0000000 0.0000000 0.0000000 -1.2755662 -0.8744934 -0.0000000 -0.8513087 -0.8195345 5 F -1.0082582 -0.4629910 0.7573335 -0.4629910 -0.4736422 0.4372467 0.7372549 0.4256543 -0.8195345 6 F -1.0082582 0.4629910 -0.7573335 0.4629910 -0.4736422 0.4372467 -0.7372549 0.4256543 -0.8195345 7 Rh 2.2228506 -0.8284973 0.0000000 0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 8 Rh 2.2228506 0.8284973 0.0000000 -0.8284973 2.2228506 -0.0000000 0.0000000 -0.0000000 2.4586034 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (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 ... [ 12 12 12 ] 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: 297, Lambda: 0.28 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 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 5.218 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.233 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 7.556 ( 0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 9.728 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 10.580 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 14.010 ( 0.000 0.000 0.000) 0.000 15.644 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.338 ( 0.000 0.000 0.000) 0.000 16.708 ( 0.000 0.000 0.000) 0.000 17.003 ( 0.000 0.000 0.000) 0.000 17.003 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 22.840 13.186 24.843) 36.231 0.744 ( 23.394 13.506 34.045) 43.460 0.778 ( 38.983 22.507 -19.179) 48.930 5.179 ( -4.094 -2.364 3.790) 6.059 5.183 ( -1.788 -1.032 -4.805) 5.230 6.225 ( 0.232 0.134 -3.422) 3.432 6.283 ( 2.344 1.353 4.611) 5.346 6.741 ( 4.368 2.522 -1.014) 5.145 7.039 ( -10.593 -6.116 -1.660) 12.344 7.407 ( -11.991 -6.923 -1.601) 13.938 7.574 ( 2.126 1.227 -4.721) 5.321 8.172 ( -4.516 -2.607 -0.885) 5.289 9.838 ( 7.714 4.454 4.549) 10.002 10.620 ( 5.339 3.083 -6.185) 8.733 10.693 ( 6.598 3.809 11.066) 13.435 13.374 ( -4.968 -2.868 -2.293) 6.178 13.955 ( -5.742 -3.315 3.630) 7.559 13.983 ( -1.334 -0.770 -7.406) 7.564 15.661 ( 1.476 0.852 0.309) 1.732 16.349 ( 1.186 0.685 -0.842) 1.608 16.359 ( 1.286 0.742 1.961) 2.460 16.728 ( -1.906 -1.101 6.523) 6.885 16.987 ( -1.302 -0.752 -0.386) 1.552 17.735 ( -2.358 -1.361 -7.704) 8.171 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 23.399 13.509 25.208) 36.952 1.482 ( 23.142 13.361 33.555) 42.895 1.533 ( 37.439 21.615 -18.925) 47.192 5.078 ( -3.886 -2.244 -8.153) 9.306 5.098 ( -5.206 -3.005 5.744) 8.314 6.197 ( -0.161 -0.093 -6.866) 6.868 6.378 ( 1.348 0.778 11.240) 11.347 6.707 ( -16.632 -9.602 -3.107) 19.455 6.877 ( 8.237 4.756 -3.467) 10.124 7.034 ( -18.258 -10.541 -3.038) 21.300 7.563 ( 0.916 0.529 -12.542) 12.587 8.036 ( -7.100 -4.099 2.553) 8.587 10.094 ( 9.279 5.357 12.823) 16.710 10.758 ( 12.852 7.420 -15.531) 21.481 10.992 ( 10.822 6.248 19.229) 22.933 13.185 ( -9.404 -5.430 -5.564) 12.202 13.796 ( -11.303 -6.526 8.030) 15.324 13.872 ( -2.813 -1.624 -13.163) 13.558 15.717 ( 3.114 1.798 0.976) 3.726 16.380 ( 2.147 1.240 -1.435) 2.865 16.415 ( 2.091 1.207 3.148) 3.967 16.722 ( -1.195 -0.690 2.916) 3.226 16.942 ( -2.215 -1.279 -0.798) 2.680 17.588 ( -6.610 -3.816 -6.570) 10.071 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 23.910 13.805 25.268) 37.426 2.205 ( 24.383 14.078 25.074) 37.702 2.248 ( 33.294 19.222 -10.476) 39.847 4.907 ( -6.377 -3.682 -9.185) 11.772 5.023 ( -4.262 -2.461 5.280) 7.218 6.099 ( -6.718 -3.879 -9.672) 12.399 6.288 ( -15.120 -8.729 -4.743) 18.091 6.454 ( -5.476 -3.162 9.766) 11.634 6.569 ( -15.912 -9.187 2.977) 18.613 7.084 ( 10.752 6.208 -4.430) 13.182 7.440 ( -2.438 -1.407 -21.687) 21.869 7.914 ( -6.071 -3.505 7.838) 10.515 10.397 ( 7.775 4.489 22.356) 24.091 11.020 ( 21.144 12.207 -25.623) 35.393 11.396 ( 12.427 7.175 24.222) 28.153 12.882 ( -12.796 -7.388 -10.018) 17.851 13.544 ( -16.406 -9.472 13.299) 23.146 13.696 ( -4.308 -2.487 -17.703) 18.388 15.818 ( 5.009 2.892 2.189) 6.185 16.427 ( 2.772 1.600 -1.687) 3.618 16.487 ( 2.290 1.322 3.483) 4.373 16.709 ( -1.221 -0.705 1.448) 2.021 16.880 ( -2.568 -1.483 -1.230) 3.211 17.360 ( -9.541 -5.508 -6.937) 13.019 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.741 ( 23.740 13.706 24.319) 36.645 2.875 ( 30.326 17.508 -11.716) 36.925 2.938 ( 23.000 13.279 26.897) 37.799 4.676 ( -9.390 -5.421 -7.646) 13.268 4.956 ( -3.987 -2.302 0.401) 4.622 5.669 ( -21.489 -12.407 -9.214) 26.469 6.034 ( -18.706 -10.800 -4.113) 21.987 6.067 ( -4.994 -2.883 -8.991) 10.681 6.594 ( -1.706 -0.985 23.068) 23.152 7.218 ( -3.355 -1.937 -25.693) 25.984 7.303 ( 10.588 6.113 -4.703) 13.099 7.842 ( -4.996 -2.885 7.937) 9.812 10.731 ( 8.444 4.875 26.986) 28.694 11.391 ( 26.108 15.073 -30.594) 42.951 11.832 ( 11.569 6.680 26.546) 29.718 12.490 ( -14.643 -8.454 -14.935) 22.560 13.221 ( -20.308 -11.725 18.856) 30.091 13.460 ( -5.852 -3.379 -21.212) 22.262 15.974 ( 7.097 4.098 3.889) 9.071 16.484 ( 3.069 1.772 -1.714) 3.936 16.558 ( 2.052 1.184 3.407) 4.150 16.684 ( -1.465 -0.846 0.319) 1.721 16.813 ( -2.471 -1.427 -1.623) 3.282 17.078 ( -11.266 -6.504 -7.045) 14.794 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.400 ( 20.864 12.046 21.128) 32.044 3.439 ( 26.586 15.349 -16.786) 34.988 3.605 ( 18.547 10.708 32.963) 39.310 4.387 ( -12.632 -7.293 -4.555) 15.281 4.789 ( -8.168 -4.716 -11.946) 15.220 5.100 ( -22.276 -12.861 -10.476) 27.773 5.708 ( -8.133 -4.695 4.171) 10.275 5.880 ( -6.066 -3.502 -9.631) 11.909 6.705 ( -1.854 -1.070 26.179) 26.266 7.002 ( -1.055 -0.609 -27.410) 27.437 7.499 ( 9.101 5.255 -4.696) 11.511 7.767 ( -5.671 -3.274 6.337) 9.113 11.119 ( 11.129 6.425 26.899) 29.811 11.814 ( 27.050 15.617 -30.834) 43.890 12.020 ( -13.853 -7.998 -17.308) 23.568 12.231 ( 3.833 2.213 24.632) 25.026 12.886 ( -18.452 -10.653 23.839) 31.973 13.173 ( -7.030 -4.059 -23.939) 25.278 16.189 ( 9.074 5.239 5.822) 11.987 16.544 ( 3.138 1.812 -1.808) 4.049 16.615 ( 0.310 0.179 2.502) 2.528 16.648 ( -0.748 -0.432 -1.073) 1.377 16.749 ( -2.203 -1.272 -1.882) 3.164 16.775 ( -11.357 -6.557 -5.297) 14.144 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.786 ( 5.049 2.915 -14.822) 15.927 3.786 ( -5.049 -2.915 14.822) 15.927 4.079 ( -8.237 -4.756 -15.866) 18.498 4.079 ( 8.237 4.756 15.866) 18.498 4.637 ( -9.700 -5.600 4.654) 12.129 4.637 ( 9.700 5.600 -4.654) 12.129 5.708 ( -2.834 -1.636 -9.280) 9.839 5.708 ( 2.834 1.636 9.280) 9.839 6.835 ( 1.097 0.633 -27.644) 27.672 6.835 ( -1.097 -0.633 27.644) 27.672 7.656 ( -7.253 -4.187 5.154) 9.834 7.656 ( 7.253 4.187 -5.154) 9.834 11.561 ( -13.719 -7.921 -24.136) 28.870 11.561 ( 13.719 7.921 24.136) 28.870 12.205 ( 21.294 12.294 -28.597) 37.714 12.205 ( -21.294 -12.294 28.597) 37.714 12.875 ( -3.837 -2.215 -25.659) 26.039 12.875 ( 3.837 2.215 25.659) 26.039 16.453 ( -10.011 -5.780 -7.854) 13.975 16.453 ( 10.011 5.780 7.854) 13.975 16.604 ( 3.515 2.029 -2.729) 4.891 16.604 ( -3.515 -2.029 2.729) 4.891 16.690 ( -1.991 -1.150 -1.717) 2.870 16.690 ( 1.991 1.150 1.717) 2.870 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -0.000 11.619 11.225) 16.156 0.496 ( -0.000 18.507 11.865) 21.984 1.330 ( -0.000 46.182 34.487) 57.638 5.102 ( 0.000 -7.620 -4.478) 8.839 5.262 ( -0.000 2.030 3.577) 4.113 6.190 ( 0.000 -3.623 -5.140) 6.288 6.295 ( -0.000 3.474 4.074) 5.354 6.752 ( 0.000 6.707 -0.042) 6.707 7.030 ( 0.000 -11.825 -2.549) 12.096 7.380 ( 0.000 -12.310 -4.593) 13.139 7.541 ( 0.000 0.252 -8.092) 8.096 8.180 ( 0.000 -2.230 -0.172) 2.237 9.812 ( -0.000 2.029 2.446) 3.178 10.569 ( 0.000 0.433 -2.142) 2.185 10.837 ( -0.000 17.608 16.394) 24.058 13.343 ( 0.000 -7.313 -5.709) 9.278 13.859 ( 0.000 -9.221 -6.623) 11.353 14.061 ( -0.000 3.540 1.213) 3.742 15.662 ( -0.000 1.420 0.382) 1.471 16.332 ( 0.000 -0.202 -0.496) 0.536 16.375 ( -0.000 2.406 1.902) 3.067 16.792 ( -0.000 -4.627 9.197) 10.295 16.986 ( 0.000 -1.356 -0.513) 1.450 17.666 ( 0.000 -0.242 -11.893) 11.896 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 30.986 -1.916 24.575) 39.595 1.049 ( 29.022 21.421 -5.096) 36.430 2.012 ( 1.826 45.135 34.600) 56.900 4.981 ( -0.789 -9.013 -5.382) 10.527 5.262 ( -5.463 3.030 3.864) 7.345 6.103 ( 1.378 -7.256 -7.650) 10.634 6.404 ( 3.869 3.427 6.425) 8.246 6.782 ( -9.001 -14.516 -3.793) 17.496 6.856 ( 1.559 8.648 -1.129) 8.859 7.133 ( -10.144 -14.757 -3.470) 18.240 7.463 ( 0.493 -1.547 -15.551) 15.635 8.134 ( -4.883 -0.268 3.353) 5.930 9.935 ( 12.306 -2.433 3.467) 13.015 10.604 ( 5.032 2.354 -4.913) 7.416 11.192 ( 1.593 25.015 22.999) 34.018 13.158 ( -3.611 -13.138 -11.042) 17.538 13.710 ( -1.538 -10.611 -5.873) 12.225 14.052 ( -7.100 5.124 1.980) 8.976 15.697 ( 1.896 1.987 0.680) 2.829 16.340 ( 1.532 -0.294 -0.571) 1.661 16.430 ( 1.335 3.213 2.364) 4.207 16.775 ( -2.660 -1.678 5.463) 6.304 16.955 ( -1.318 -1.560 -0.836) 2.207 17.562 ( -1.949 -4.947 -10.343) 11.630 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 34.889 -5.071 27.489) 44.705 1.736 ( 32.131 21.162 -12.017) 40.307 2.697 ( 2.674 42.543 34.445) 54.804 4.833 ( -1.907 -9.497 -6.002) 11.396 5.194 ( -8.108 3.639 2.108) 9.134 6.002 ( 1.748 -9.829 -8.909) 13.380 6.351 ( -11.678 -18.898 -8.027) 23.621 6.570 ( 0.459 2.378 10.339) 10.619 6.718 ( -15.289 -14.620 -1.459) 21.205 7.016 ( 4.042 10.878 -2.292) 11.829 7.331 ( -1.394 -1.468 -20.159) 20.261 8.060 ( -7.295 0.957 6.199) 9.621 10.208 ( 19.824 -7.123 9.484) 23.101 10.732 ( 10.643 6.625 -11.088) 16.737 11.638 ( 1.630 28.189 26.074) 38.433 12.835 ( -5.672 -18.574 -16.411) 25.426 13.522 ( -4.671 -11.297 -3.305) 12.663 13.947 ( -13.437 6.592 2.200) 15.127 15.777 ( 4.148 2.766 1.367) 5.170 16.370 ( 2.813 -0.400 -0.545) 2.893 16.504 ( 1.532 3.596 2.426) 4.600 16.742 ( -2.509 -1.560 3.290) 4.422 16.904 ( -2.236 -1.117 -1.227) 2.784 17.375 ( -5.462 -7.113 -9.816) 13.296 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 35.217 -3.805 24.919) 43.310 2.407 ( 31.663 18.971 -11.455) 38.648 3.355 ( 3.114 38.132 33.223) 50.671 4.648 ( -4.119 -10.171 -7.028) 13.031 5.088 ( -8.586 3.055 -2.057) 9.342 5.729 ( -12.497 -20.703 -9.324) 25.918 5.994 ( -1.315 -11.083 -10.733) 15.484 6.248 ( -19.721 -10.857 -0.427) 22.516 6.720 ( 1.823 -0.503 16.817) 16.923 7.096 ( -2.225 -0.695 -17.969) 18.120 7.240 ( 3.947 11.427 -7.887) 14.435 7.985 ( -7.415 1.093 6.697) 10.051 10.568 ( 22.112 -11.002 19.141) 31.247 10.966 ( 17.409 11.890 -20.424) 29.353 12.102 ( 0.645 28.291 26.170) 38.544 12.411 ( -6.659 -22.423 -20.311) 30.979 13.287 ( -8.051 -11.905 0.025) 14.371 13.753 ( -18.887 7.794 1.654) 20.499 15.913 ( 6.642 3.746 2.329) 7.973 16.418 ( 3.623 -0.625 -0.317) 3.690 16.579 ( 1.334 3.627 2.189) 4.441 16.697 ( -2.139 -2.690 1.505) 3.751 16.845 ( -2.778 -0.230 -1.686) 3.257 17.125 ( -8.116 -7.708 -8.894) 14.296 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 32.180 5.095 6.241) 33.173 3.060 ( 30.537 9.454 6.553) 32.631 3.940 ( 2.385 29.657 28.863) 41.453 4.384 ( -7.292 -14.201 -10.537) 19.128 4.893 ( -12.323 -0.396 -9.919) 15.824 5.248 ( -14.679 -14.514 -4.857) 21.207 5.799 ( -4.365 -9.378 -11.849) 15.729 5.882 ( -11.373 -7.708 6.626) 15.253 6.809 ( 1.145 -2.695 -4.600) 5.453 6.927 ( -4.455 1.815 1.791) 5.133 7.417 ( 6.157 10.750 -5.280) 13.466 7.905 ( -7.609 0.671 5.811) 9.597 10.972 ( 21.680 -11.532 26.487) 36.119 11.303 ( 23.640 14.214 -27.847) 39.197 11.923 ( -6.785 -23.583 -23.687) 34.107 12.511 ( -2.734 21.533 23.775) 32.193 13.037 ( -9.173 -7.907 4.921) 13.072 13.480 ( -23.023 8.399 0.516) 24.512 16.107 ( 9.164 4.744 3.275) 10.826 16.475 ( 3.973 -1.018 0.037) 4.101 16.625 ( -1.340 -4.032 -2.810) 5.094 16.650 ( 0.215 3.219 2.722) 4.221 16.782 ( -3.253 -0.236 -2.883) 4.353 16.858 ( -8.960 -6.020 -4.501) 11.696 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.495 ( 20.078 6.335 -11.246) 23.869 3.678 ( 22.175 -1.879 21.716) 31.094 3.960 ( -4.802 -14.598 -21.097) 26.101 4.260 ( -8.167 2.708 14.570) 16.921 4.699 ( -7.335 11.257 -6.348) 14.860 4.895 ( -14.201 1.941 7.365) 16.115 5.609 ( 1.009 -9.255 -11.003) 14.413 5.758 ( -2.926 -3.507 12.819) 13.608 6.664 ( -0.152 1.151 -27.568) 27.592 7.017 ( -1.129 -0.041 25.341) 25.367 7.577 ( 5.306 8.516 -6.147) 11.767 7.805 ( -8.621 0.301 4.990) 9.965 11.365 ( 5.284 -20.433 -12.948) 24.761 11.424 ( 11.652 -10.576 12.703) 20.223 11.743 ( 25.034 11.958 -26.869) 38.622 12.522 ( -15.001 -9.057 13.528) 22.138 13.044 ( -10.599 19.362 1.096) 22.100 13.183 ( -15.851 8.321 13.452) 22.393 16.355 ( 11.154 5.318 3.416) 12.820 16.470 ( -5.614 -6.768 -8.958) 12.553 16.533 ( 3.910 -1.348 -0.112) 4.138 16.654 ( -4.553 -4.190 1.708) 6.419 16.710 ( 0.533 3.574 2.069) 4.164 16.738 ( -3.765 1.056 -0.701) 3.972 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -12.235 -30.760 -26.277) 42.266 3.813 ( -13.750 -8.001 12.756) 20.391 3.926 ( -17.487 10.245 -15.717) 25.647 4.226 ( 9.094 5.075 3.186) 10.891 4.714 ( 14.338 3.128 7.181) 16.338 5.059 ( 2.639 11.638 13.866) 18.294 5.551 ( 9.243 -2.620 -6.694) 11.709 5.858 ( 5.033 -0.252 14.234) 15.100 6.525 ( 1.565 2.499 -27.342) 27.501 7.165 ( -0.052 0.013 26.053) 26.053 7.651 ( -5.292 1.157 -1.318) 5.575 7.713 ( -0.935 5.633 -1.730) 5.967 10.907 ( -3.465 -23.569 -26.644) 35.740 11.852 ( 19.255 -3.174 20.438) 28.259 12.086 ( 6.385 4.095 -14.005) 15.928 12.243 ( -3.831 -7.042 9.899) 12.738 12.748 ( -19.652 9.216 -12.295) 24.946 13.414 ( -0.868 18.414 20.173) 27.327 16.229 ( -7.072 -6.198 -8.299) 12.542 16.557 ( -1.064 -3.414 1.699) 3.959 16.590 ( 3.642 -0.500 -1.194) 3.865 16.631 ( 5.455 3.482 1.930) 6.753 16.702 ( 2.015 2.123 2.815) 4.061 16.767 ( 0.554 3.279 2.307) 4.047 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -13.089 -33.598 -27.891) 45.586 3.389 ( -31.277 0.025 -2.802) 31.402 3.424 ( -32.883 -1.094 -1.490) 32.935 4.531 ( 13.690 1.814 5.835) 14.992 4.993 ( 1.636 9.345 -0.545) 9.503 5.387 ( 23.996 1.621 10.081) 26.078 5.819 ( 18.792 5.298 1.855) 19.613 6.044 ( 6.372 -0.007 12.609) 14.128 6.431 ( 2.430 3.413 -23.885) 24.250 7.327 ( 0.928 -1.214 22.547) 22.599 7.507 ( -10.635 0.815 5.382) 11.948 7.771 ( 2.598 6.149 -8.518) 10.822 10.492 ( -0.803 -20.513 -24.524) 31.982 11.762 ( -19.258 -11.309 11.041) 24.913 12.133 ( -26.185 10.075 -6.189) 28.731 12.313 ( 19.640 -0.782 15.140) 24.811 12.763 ( 23.297 3.482 -16.182) 28.579 13.678 ( -1.082 15.586 15.876) 22.275 16.018 ( -6.253 -4.562 -5.523) 9.509 16.497 ( -1.941 -3.748 1.146) 4.373 16.602 ( -3.342 1.494 -1.849) 4.101 16.642 ( 2.683 -1.107 -0.015) 2.903 16.819 ( 0.845 2.939 1.472) 3.394 16.963 ( 12.765 4.688 5.386) 14.626 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -13.114 -32.924 -26.417) 44.202 2.766 ( -38.037 17.570 -29.770) 51.398 2.822 ( -35.893 -19.118 26.481) 48.529 4.759 ( 10.455 -3.001 4.181) 11.653 5.078 ( -0.052 9.854 -1.177) 9.924 5.899 ( 23.808 1.891 7.214) 24.949 6.138 ( 10.730 -2.438 4.929) 12.057 6.314 ( 19.489 5.647 2.935) 20.501 6.383 ( 1.160 5.227 -13.955) 14.947 7.268 ( -11.443 -2.509 3.868) 12.337 7.549 ( 0.900 0.625 20.272) 20.301 7.824 ( 3.891 6.239 -10.074) 12.472 10.183 ( 1.268 -15.524 -19.369) 24.855 11.392 ( -19.697 -10.291 13.151) 25.823 11.681 ( -29.202 7.971 -9.478) 31.719 12.711 ( 17.753 1.381 8.317) 19.653 13.137 ( 24.534 1.297 -9.073) 26.190 13.874 ( -1.149 11.110 11.148) 15.780 15.860 ( -4.970 -2.836 -2.952) 6.439 16.436 ( -1.690 -3.268 0.540) 3.719 16.537 ( -4.268 1.249 -1.628) 4.735 16.678 ( 2.249 -0.617 -0.141) 2.336 16.870 ( 1.397 2.046 1.097) 2.710 17.250 ( 12.272 3.647 4.143) 13.456 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( -14.162 -27.872 -21.371) 37.870 2.096 ( -40.080 19.459 -29.967) 53.695 2.147 ( -39.218 -20.814 27.495) 52.223 4.908 ( 9.162 -2.300 0.532) 9.461 5.166 ( 0.361 5.997 1.283) 6.144 6.151 ( 6.260 -4.423 3.905) 8.602 6.347 ( -0.926 2.559 -7.732) 8.197 6.454 ( 21.433 3.829 1.233) 21.807 6.768 ( 22.093 4.453 3.089) 22.748 7.058 ( -12.288 -1.239 1.953) 12.504 7.641 ( -1.127 -0.707 8.958) 9.056 7.934 ( 7.592 4.225 -3.454) 9.350 9.991 ( 0.734 -8.440 -10.618) 13.583 11.062 ( -17.488 -7.499 12.521) 22.778 11.211 ( -25.466 5.568 -10.951) 28.275 13.038 ( 14.405 1.509 3.179) 14.829 13.488 ( 19.955 0.016 -3.499) 20.260 13.992 ( -0.904 5.741 5.865) 8.257 15.754 ( -3.741 -1.259 -1.039) 4.082 16.384 ( -1.354 -2.104 -0.003) 2.502 16.466 ( -4.203 0.725 -0.979) 4.376 16.701 ( 1.075 -0.013 -0.456) 1.168 16.920 ( 2.014 1.001 0.537) 2.312 17.495 ( 10.462 1.949 2.608) 10.957 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -16.470 -0.000 0.000) 16.470 1.415 ( -41.047 -0.000 0.000) 41.047 1.427 ( -41.156 -0.000 0.000) 41.156 5.047 ( 8.257 0.000 -0.000) 8.257 5.207 ( 0.410 0.000 -0.000) 0.410 6.217 ( 2.920 0.000 -0.000) 2.920 6.301 ( -2.762 -0.000 0.000) 2.762 6.813 ( 12.895 0.000 -0.000) 12.895 6.873 ( -4.954 -0.000 0.000) 4.954 7.163 ( 19.620 0.000 -0.000) 19.620 7.629 ( -2.439 -0.000 0.000) 2.439 8.083 ( 7.562 0.000 -0.000) 7.562 9.898 ( -3.704 -0.000 0.000) 3.704 10.810 ( -12.636 -0.000 0.000) 12.636 10.822 ( -17.256 -0.000 0.000) 17.256 13.265 ( 10.023 0.000 -0.000) 10.023 13.768 ( 13.911 0.000 -0.000) 13.911 14.027 ( -0.439 -0.000 0.000) 0.439 15.691 ( -2.641 -0.000 0.000) 2.641 16.353 ( -0.917 -0.000 0.000) 0.917 16.400 ( -3.396 -0.000 0.000) 3.396 16.709 ( 0.141 0.000 -0.000) 0.141 16.962 ( 2.050 0.000 -0.000) 2.050 17.670 ( 7.661 0.000 -0.000) 7.661 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 13.643 15.228) 20.446 1.032 ( -0.000 19.669 14.372) 24.361 2.655 ( -0.000 44.945 33.796) 56.234 4.867 ( 0.000 -8.629 -5.872) 10.437 5.370 ( -0.000 2.457 5.868) 6.362 5.927 ( 0.000 -11.950 -12.103) 17.008 6.438 ( -0.000 2.295 4.736) 5.263 6.646 ( 0.000 -20.886 -5.717) 21.654 6.952 ( -0.000 10.378 0.663) 10.399 7.063 ( 0.000 -11.682 -3.442) 12.178 7.326 ( 0.000 -3.093 -17.356) 17.630 8.223 ( -0.000 2.892 5.627) 6.326 9.791 ( -0.000 -5.052 0.828) 5.120 10.556 ( 0.000 1.818 -3.079) 3.575 11.623 ( -0.000 31.491 26.796) 41.348 12.923 ( 0.000 -21.384 -17.881) 27.875 13.613 ( 0.000 -7.372 -3.361) 8.102 14.185 ( -0.000 6.063 3.313) 6.909 15.704 ( -0.000 2.180 0.731) 2.300 16.320 ( 0.000 -0.132 -0.752) 0.764 16.468 ( -0.000 3.726 2.930) 4.740 16.815 ( -0.000 -1.993 4.622) 5.034 16.943 ( 0.000 -1.987 -0.854) 2.162 17.452 ( 0.000 -6.426 -11.554) 13.221 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 22.769 9.169 19.648) 31.441 1.485 ( 18.109 20.053 8.847) 28.431 3.297 ( 0.649 42.196 32.425) 53.219 4.737 ( -1.383 -8.199 -5.775) 10.123 5.361 ( -6.671 1.438 2.402) 7.235 5.762 ( 4.826 -13.792 -11.074) 18.334 6.222 ( -6.707 -27.124 -12.168) 30.476 6.597 ( 3.360 2.504 6.785) 7.975 6.800 ( -10.328 -12.474 -2.250) 16.350 7.102 ( -0.137 11.903 0.443) 11.912 7.214 ( 0.876 0.307 -16.351) 16.378 8.243 ( -5.967 3.988 6.490) 9.676 9.864 ( 13.916 -6.924 2.796) 15.793 10.604 ( 5.127 3.534 -4.228) 7.527 12.110 ( -0.460 33.123 27.800) 43.245 12.544 ( -1.696 -26.557 -22.163) 34.632 13.503 ( -3.635 -6.156 -1.483) 7.301 14.212 ( -7.130 7.004 4.200) 10.841 15.754 ( 2.461 2.647 1.161) 3.796 16.327 ( 1.428 -0.159 -0.608) 1.560 16.533 ( 0.988 3.766 2.720) 4.750 16.792 ( -2.679 -2.280 3.014) 4.632 16.911 ( -0.844 -1.556 -1.068) 2.067 17.295 ( -1.912 -7.914 -11.393) 14.003 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 29.332 6.921 19.171) 35.719 2.086 ( 24.084 18.280 5.643) 30.758 3.893 ( 0.559 36.778 29.973) 47.448 4.576 ( -3.870 -9.039 -6.578) 11.830 5.213 ( -7.429 -2.245 -7.771) 10.983 5.613 ( -4.771 -22.848 -3.316) 23.575 5.781 ( 0.152 -15.971 -16.039) 22.635 6.449 ( -15.455 -11.331 1.375) 19.213 6.721 ( 3.613 0.014 4.240) 5.571 7.080 ( -3.170 1.768 -9.336) 10.017 7.278 ( 2.029 13.763 -3.001) 14.232 8.191 ( -8.786 4.008 6.032) 11.386 10.138 ( 22.726 -8.576 7.076) 25.300 10.750 ( 10.241 6.514 -7.229) 14.127 12.083 ( -2.925 -29.476 -24.320) 38.325 12.584 ( -1.666 31.980 26.216) 41.385 13.346 ( -7.367 -5.518 0.414) 9.214 14.132 ( -13.801 7.587 4.700) 16.435 15.858 ( 5.197 3.424 1.699) 6.451 16.357 ( 2.609 -0.515 -0.171) 2.665 16.602 ( 1.129 3.099 1.868) 3.791 16.724 ( -3.144 -3.521 1.097) 4.846 16.870 ( -1.722 -0.810 -1.710) 2.559 17.097 ( -4.388 -7.454 -9.501) 12.849 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 29.853 10.035 9.773) 32.976 2.728 ( 26.805 12.498 12.392) 32.067 4.297 ( -9.643 -15.317 -12.796) 22.166 4.374 ( -1.368 24.564 23.686) 34.151 4.977 ( -6.817 -4.331 -13.634) 15.847 5.254 ( -4.936 -16.498 1.639) 17.298 5.642 ( -0.020 -7.243 -13.405) 15.237 6.101 ( -15.450 -8.840 8.220) 19.607 6.706 ( -1.124 -1.886 -14.415) 14.581 7.056 ( -1.213 2.570 9.777) 10.181 7.434 ( 2.574 13.188 -3.641) 13.921 8.107 ( -9.331 3.540 5.288) 11.295 10.534 ( 26.966 -10.063 11.742) 31.085 10.991 ( 15.098 10.152 -11.845) 21.710 11.577 ( -3.593 -30.517 -24.545) 39.327 12.934 ( -8.017 17.515 14.026) 23.828 13.209 ( -5.907 6.309 11.270) 14.202 13.949 ( -19.812 7.715 4.573) 21.747 16.020 ( 7.960 4.321 2.035) 9.283 16.401 ( 3.388 -1.172 0.411) 3.609 16.588 ( -2.424 -5.789 -4.009) 7.447 16.691 ( 0.413 2.543 2.225) 3.404 16.806 ( -2.975 -1.782 -3.442) 4.886 16.908 ( -5.468 -3.512 -3.462) 7.363 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.156 ( 23.638 12.255 -4.359) 26.980 3.390 ( 26.835 2.674 24.129) 36.186 3.793 ( -11.471 -19.440 -20.478) 30.477 4.487 ( -8.322 -0.920 6.738) 10.747 4.871 ( -4.423 4.516 -5.917) 8.659 5.164 ( -3.548 6.205 11.103) 13.205 5.424 ( -3.761 -8.612 -15.480) 18.109 5.898 ( -8.157 -6.556 17.094) 20.043 6.536 ( -2.596 1.365 -24.556) 24.731 7.164 ( 0.646 0.286 19.327) 19.340 7.571 ( 2.408 11.168 -5.393) 12.633 8.009 ( -9.548 3.044 4.643) 11.044 10.923 ( 15.292 -17.565 -5.992) 24.047 11.137 ( 9.007 -23.146 1.146) 24.863 11.316 ( 20.019 13.391 -19.434) 30.947 12.774 ( -15.799 -3.348 2.855) 16.401 13.454 ( -3.303 23.453 19.024) 30.378 13.667 ( -24.072 6.774 4.528) 25.414 16.235 ( 10.220 4.910 1.456) 11.431 16.421 ( -3.685 -7.941 -8.153) 11.963 16.452 ( 3.790 -1.913 0.917) 4.343 16.697 ( -4.231 -2.919 -0.848) 5.209 16.748 ( 0.745 3.181 2.088) 3.878 16.811 ( -3.957 0.289 -0.241) 3.975 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -16.294 -25.307 -22.229) 37.418 3.765 ( 16.415 6.663 0.881) 17.737 4.030 ( 16.571 7.792 14.186) 23.163 4.342 ( -9.204 -1.688 8.629) 12.729 4.674 ( -9.597 2.722 -11.039) 14.879 5.192 ( 0.133 -7.854 -9.415) 12.262 5.361 ( 2.821 7.382 10.588) 13.212 5.897 ( 0.240 -3.519 18.805) 19.133 6.377 ( -0.199 4.033 -26.569) 26.874 7.302 ( 1.069 -0.974 21.094) 21.143 7.663 ( 1.247 8.764 -7.280) 11.462 7.899 ( -9.694 2.892 4.069) 10.904 10.545 ( -2.481 -25.459 -23.575) 34.787 11.532 ( 26.901 -13.044 26.403) 39.886 11.698 ( 23.296 16.082 -25.334) 37.989 12.458 ( -17.947 -5.185 3.691) 19.042 13.277 ( -29.368 7.413 1.051) 30.307 13.742 ( -2.468 18.120 16.500) 24.631 16.210 ( -4.525 -6.798 -8.380) 11.700 16.485 ( 8.584 4.810 -3.861) 10.570 16.512 ( 6.188 -1.881 5.525) 8.506 16.608 ( -2.644 -2.760 1.885) 4.261 16.753 ( -3.306 0.894 0.017) 3.425 16.802 ( 0.657 2.722 2.013) 3.449 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -18.874 -24.167 -20.736) 37.017 3.808 ( -16.553 -3.949 5.944) 18.026 3.955 ( -27.948 6.282 -7.450) 29.599 4.404 ( 7.305 5.376 7.574) 11.816 4.894 ( 23.268 7.976 1.771) 24.660 5.114 ( 7.739 -8.536 -1.787) 11.660 5.595 ( 11.456 4.012 7.477) 14.256 6.002 ( 3.994 -3.650 9.089) 10.578 6.303 ( 2.584 5.900 -18.337) 19.436 7.427 ( 0.635 -2.084 17.743) 17.876 7.685 ( -3.434 5.224 -2.824) 6.860 7.802 ( -5.806 4.349 -1.114) 7.339 10.159 ( -0.769 -19.691 -18.648) 27.131 12.003 ( 12.790 -1.219 11.546) 17.274 12.033 ( 6.812 -2.534 2.653) 7.737 12.205 ( 10.193 2.688 -8.578) 13.590 12.817 ( -30.685 4.744 -1.595) 31.090 13.939 ( -2.566 12.954 11.280) 17.368 16.031 ( -4.623 -4.539 -5.563) 8.539 16.511 ( -1.987 -2.151 0.407) 2.957 16.566 ( 2.970 -0.805 -0.286) 3.090 16.669 ( -1.798 1.048 -0.640) 2.178 16.809 ( 10.484 3.305 2.572) 11.289 16.849 ( 1.274 1.531 2.479) 3.180 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -19.941 -17.063 -14.415) 29.943 3.371 ( -31.614 2.802 -4.986) 32.128 3.410 ( -34.802 -2.623 4.054) 35.135 4.602 ( 8.088 -0.403 3.482) 8.814 5.125 ( 3.909 6.362 -4.578) 8.758 5.491 ( 28.619 -1.394 7.765) 29.686 5.920 ( 17.149 1.002 6.590) 18.399 6.061 ( 7.986 -2.315 -7.151) 10.967 6.350 ( 3.519 4.116 -3.198) 6.289 7.438 ( -6.872 -1.329 4.369) 8.251 7.674 ( -2.731 -0.392 14.396) 14.658 7.776 ( 0.757 5.650 -11.275) 12.634 9.922 ( 1.540 -10.742 -10.629) 15.190 11.714 ( -20.152 -2.203 2.122) 20.383 12.258 ( -31.919 4.276 0.373) 32.206 12.430 ( 20.371 -2.036 8.657) 22.227 12.650 ( 26.841 1.642 -9.160) 28.409 14.047 ( -2.273 6.626 5.767) 9.073 15.897 ( -4.315 -2.058 -2.398) 5.349 16.451 ( -2.584 -1.471 0.248) 2.984 16.611 ( -2.114 0.944 -0.850) 2.467 16.621 ( 1.592 -0.970 0.307) 1.889 16.878 ( 0.562 1.332 0.646) 1.583 17.074 ( 13.413 1.705 1.999) 13.668 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -20.079 -0.000 0.000) 20.079 2.778 ( -37.071 -0.000 0.000) 37.071 2.780 ( -38.256 -0.000 0.000) 38.256 4.746 ( 8.632 0.000 -0.000) 8.632 5.191 ( 1.151 0.000 -0.000) 1.151 5.948 ( 19.706 0.000 -0.000) 19.706 6.140 ( 13.110 0.000 -0.000) 13.110 6.280 ( 12.014 0.000 -0.000) 12.014 6.465 ( 12.382 0.000 -0.000) 12.382 7.271 ( -11.928 -0.000 0.000) 11.928 7.691 ( -1.535 -0.000 0.000) 1.535 7.824 ( 5.762 0.000 -0.000) 5.762 9.875 ( 2.746 0.000 -0.000) 2.746 11.371 ( -19.178 -0.000 0.000) 19.178 11.717 ( -31.978 -0.000 0.000) 31.978 12.776 ( 17.998 0.000 -0.000) 17.998 13.090 ( 25.074 0.000 -0.000) 25.074 14.063 ( -1.696 -0.000 0.000) 1.696 15.810 ( -4.036 -0.000 0.000) 4.036 16.403 ( -2.084 -0.000 0.000) 2.084 16.542 ( -4.434 -0.000 0.000) 4.434 16.669 ( 2.548 0.000 -0.000) 2.548 16.900 ( 1.121 0.000 -0.000) 1.121 17.313 ( 12.603 0.000 -0.000) 12.603 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -0.000 15.849 19.481) 25.114 1.623 ( -0.000 20.750 16.538) 26.535 3.886 ( -0.000 38.758 29.688) 48.822 4.644 ( 0.000 -6.343 -5.661) 8.502 5.448 ( 0.000 -17.653 -17.327) 24.736 5.481 ( -0.000 0.501 6.666) 6.685 5.890 ( 0.000 -32.540 -16.763) 36.604 6.633 ( -0.000 2.974 4.937) 5.764 6.758 ( 0.000 -11.426 -2.640) 11.727 7.117 ( 0.000 1.776 -12.317) 12.444 7.247 ( -0.000 13.739 1.877) 13.866 8.390 ( -0.000 5.082 7.367) 8.950 9.686 ( -0.000 -6.368 1.920) 6.651 10.572 ( 0.000 3.342 -2.800) 4.360 12.133 ( 0.000 -29.619 -24.692) 38.561 12.615 ( -0.000 32.998 27.524) 42.970 13.478 ( 0.000 -4.604 -0.377) 4.619 14.374 ( -0.000 7.572 5.148) 9.156 15.766 ( -0.000 2.696 1.453) 3.062 16.311 ( 0.000 0.163 -0.750) 0.768 16.579 ( -0.000 3.589 2.752) 4.522 16.802 ( -0.000 -4.000 0.836) 4.087 16.892 ( 0.000 -1.891 -1.010) 2.144 17.164 ( 0.000 -7.224 -10.798) 12.992 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 16.309 15.017 19.881) 29.778 2.033 ( 11.729 19.656 15.112) 27.428 4.396 ( -0.482 25.594 23.630) 34.838 4.538 ( -3.546 0.648 -4.036) 5.412 5.129 ( -2.491 -16.500 -18.164) 24.665 5.412 ( -3.469 -33.933 -7.054) 34.832 5.558 ( 3.022 0.199 -6.013) 6.732 6.556 ( -8.606 -9.780 0.227) 13.029 6.693 ( 1.204 0.473 -0.275) 1.322 7.087 ( -0.193 3.961 -6.041) 7.227 7.396 ( 0.173 13.564 1.589) 13.658 8.418 ( -7.239 5.159 6.469) 10.994 9.772 ( 14.557 -6.059 3.802) 16.220 10.635 ( 5.448 3.832 -3.557) 7.550 11.671 ( -1.560 -29.933 -24.749) 38.870 13.080 ( -1.676 30.242 24.586) 39.010 13.405 ( -3.695 -3.456 1.166) 5.192 14.422 ( -7.269 7.809 5.693) 12.093 15.829 ( 2.988 3.039 1.788) 4.621 16.320 ( 1.232 0.051 -0.489) 1.326 16.629 ( 0.064 2.240 1.645) 2.779 16.720 ( -1.766 -6.525 -2.568) 7.231 16.864 ( -0.550 -1.710 -1.535) 2.362 17.035 ( -1.719 -4.293 -6.994) 8.385 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 22.734 15.213 15.178) 31.283 2.562 ( 18.508 15.114 15.713) 28.598 4.251 ( -11.380 -14.619 -11.315) 21.708 4.702 ( -5.119 1.590 -0.668) 5.402 4.882 ( 0.682 -6.909 -2.416) 7.351 5.122 ( 3.336 -6.847 -0.202) 7.619 5.558 ( -0.474 -0.332 -4.892) 4.927 6.300 ( -12.055 -8.133 5.644) 15.599 6.653 ( -2.669 -0.625 -9.640) 10.022 7.126 ( 1.105 3.839 3.661) 5.418 7.535 ( 0.001 12.595 0.703) 12.614 8.347 ( -10.091 4.635 4.888) 12.132 10.074 ( 23.125 -5.897 6.126) 24.639 10.781 ( 10.941 2.434 -7.737) 13.620 11.203 ( -3.179 -26.033 -20.676) 33.396 13.222 ( -9.815 0.475 1.387) 9.924 13.522 ( -1.094 22.779 21.321) 31.219 14.349 ( -14.238 7.648 5.626) 17.114 15.950 ( 6.050 3.602 1.800) 7.268 16.346 ( 2.199 -0.586 0.084) 2.278 16.534 ( -3.079 -8.774 -6.685) 11.452 16.707 ( 1.394 1.761 1.423) 2.659 16.813 ( -2.133 -1.656 -2.051) 3.391 16.939 ( -3.015 -1.273 -2.332) 4.019 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.905 ( 21.648 17.365 2.881) 27.901 3.142 ( 23.019 4.724 23.207) 33.027 3.730 ( -15.858 -17.873 -16.048) 28.783 4.532 ( -0.285 -7.158 -12.989) 14.833 4.812 ( 1.698 -13.254 5.357) 14.396 5.262 ( -0.825 9.464 -4.190) 10.383 5.485 ( -5.153 4.598 2.063) 7.208 6.092 ( -9.967 -6.684 14.398) 18.743 6.490 ( -5.897 1.308 -17.878) 18.871 7.230 ( 2.727 1.567 9.561) 10.065 7.647 ( -0.416 10.614 -0.564) 10.637 8.239 ( -10.324 3.767 3.773) 11.620 10.464 ( 21.046 -9.307 1.985) 23.098 10.712 ( 6.192 -21.178 -18.234) 28.624 11.084 ( 11.705 5.514 -3.528) 13.411 13.015 ( -13.606 -1.750 0.730) 13.737 13.829 ( -2.368 19.649 17.610) 26.491 14.154 ( -20.790 7.155 4.770) 22.498 16.125 ( 8.687 4.034 1.110) 9.642 16.345 ( -2.899 -8.784 -7.830) 12.120 16.382 ( 2.877 -1.399 0.605) 3.255 16.728 ( -2.486 -1.589 -0.716) 3.036 16.771 ( 0.540 2.040 1.127) 2.392 16.872 ( -3.280 -0.055 -0.507) 3.320 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -17.021 -16.299 -14.802) 27.829 3.567 ( 17.332 12.812 1.529) 21.607 3.803 ( 25.052 2.435 22.528) 33.779 4.430 ( 3.207 -0.868 -12.974) 13.393 4.734 ( -3.260 -11.100 8.167) 14.162 5.071 ( -10.546 -1.131 -19.289) 22.013 5.567 ( -3.453 8.557 10.289) 13.820 6.012 ( -5.081 -6.402 20.831) 22.377 6.297 ( -3.802 4.765 -23.727) 24.498 7.354 ( 3.381 -0.215 10.760) 11.281 7.719 ( -1.044 7.928 -2.001) 8.243 8.118 ( -10.044 2.705 2.846) 10.784 10.238 ( -3.111 -19.880 -17.428) 26.620 11.032 ( 30.256 -5.700 7.663) 31.728 11.379 ( 17.606 7.073 -6.151) 19.946 12.741 ( -16.866 -1.838 1.019) 16.996 13.829 ( -25.701 4.464 3.119) 26.272 14.045 ( -3.953 14.649 11.990) 19.339 16.161 ( -2.912 -6.067 -6.728) 9.516 16.350 ( 10.583 4.284 -0.677) 11.438 16.427 ( 3.739 -2.607 2.304) 5.107 16.652 ( -3.739 -1.481 0.105) 4.023 16.816 ( -3.175 0.338 -0.056) 3.194 16.819 ( 1.186 1.721 1.235) 2.428 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( -22.173 -11.903 -10.105) 27.119 3.896 ( 5.683 3.924 0.377) 6.917 4.317 ( 3.991 3.106 13.032) 13.978 4.506 ( -1.805 6.804 9.821) 12.083 4.572 ( 8.655 -1.421 -7.949) 11.837 4.815 ( 3.114 -9.283 -14.625) 17.600 5.628 ( -1.364 3.227 8.405) 9.106 5.982 ( -2.872 -4.464 5.016) 7.303 6.225 ( 2.729 4.817 -10.487) 11.859 7.462 ( 2.849 -0.965 7.805) 8.365 7.745 ( -1.453 4.565 -2.387) 5.352 7.983 ( -9.709 1.525 1.517) 9.944 9.942 ( -2.703 -11.294 -10.055) 15.362 11.560 ( 31.269 -4.775 8.160) 32.667 11.730 ( 20.250 6.215 -7.474) 22.462 12.422 ( -19.005 -1.485 0.972) 19.088 13.392 ( -30.629 2.520 1.080) 30.751 14.146 ( -3.520 7.287 6.052) 10.105 16.029 ( -3.237 -3.091 -3.515) 5.691 16.472 ( 3.545 -0.293 -0.740) 3.633 16.570 ( 0.945 1.562 -0.722) 1.964 16.594 ( 7.076 -1.194 2.446) 7.582 16.770 ( -2.085 0.409 0.280) 2.143 16.858 ( 0.946 0.966 0.818) 1.580 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -22.808 -0.000 0.000) 22.808 3.806 ( -17.452 -0.000 0.000) 17.452 3.974 ( -30.420 -0.000 0.000) 30.420 4.541 ( -0.215 -0.000 0.000) 0.215 4.955 ( 16.771 0.000 -0.000) 16.771 5.010 ( 29.253 0.000 -0.000) 29.253 5.723 ( 8.065 0.000 -0.000) 8.065 5.944 ( 1.413 0.000 -0.000) 1.413 6.292 ( 4.350 0.000 -0.000) 4.350 7.508 ( -0.356 -0.000 0.000) 0.356 7.741 ( -0.385 -0.000 0.000) 0.385 7.838 ( -8.381 -0.000 0.000) 8.381 9.824 ( -0.575 -0.000 0.000) 0.575 12.019 ( -2.102 -0.000 0.000) 2.102 12.092 ( 21.006 0.000 -0.000) 21.006 12.157 ( 12.707 0.000 -0.000) 12.707 12.858 ( -33.251 -0.000 0.000) 33.251 14.144 ( -3.033 -0.000 0.000) 3.033 15.946 ( -3.637 -0.000 0.000) 3.637 16.491 ( -2.085 -0.000 0.000) 2.085 16.556 ( 2.669 0.000 -0.000) 2.669 16.675 ( -2.320 -0.000 0.000) 2.320 16.863 ( 12.233 0.000 -0.000) 12.233 16.878 ( 0.581 0.000 -0.000) 0.581 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -0.000 17.934 22.622) 28.868 2.231 ( -0.000 19.544 15.947) 25.225 4.456 ( 0.000 -5.008 -2.588) 5.638 4.813 ( 0.000 -11.103 -18.230) 21.345 4.900 ( -0.000 18.687 16.549) 24.962 5.011 ( 0.000 -33.084 -15.236) 36.424 5.544 ( -0.000 0.129 1.376) 1.382 6.538 ( 0.000 -7.939 -1.830) 8.148 6.685 ( 0.000 0.332 -1.055) 1.106 7.105 ( 0.000 4.971 -2.197) 5.435 7.540 ( -0.000 12.587 2.735) 12.880 8.582 ( -0.000 5.206 6.573) 8.385 9.606 ( -0.000 -4.555 2.939) 5.421 10.588 ( 0.000 0.097 -4.232) 4.234 11.264 ( 0.000 -25.188 -21.551) 33.149 13.407 ( -0.000 -2.984 0.657) 3.056 13.528 ( -0.000 26.960 22.440) 35.077 14.598 ( -0.000 7.744 6.150) 9.889 15.842 ( -0.000 2.732 1.977) 3.372 16.308 ( 0.000 0.347 -0.633) 0.722 16.608 ( 0.000 -10.736 -7.565) 13.134 16.667 ( -0.000 2.365 1.776) 2.958 16.847 ( 0.000 -1.312 -0.935) 1.611 16.992 ( 0.000 -1.323 -3.465) 3.709 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 11.541 18.392 21.095) 30.273 2.577 ( 8.680 15.382 14.091) 22.594 4.263 ( -12.548 -12.016 -8.433) 19.312 4.482 ( 0.882 -19.294 -22.825) 29.900 4.705 ( 5.736 -19.852 -3.906) 21.030 5.244 ( 0.372 19.991 12.467) 23.563 5.548 ( 0.254 -0.291 -0.167) 0.421 6.406 ( -6.021 -6.087 1.010) 8.622 6.656 ( -2.534 0.108 -4.346) 5.032 7.159 ( 1.109 4.244 1.443) 4.618 7.669 ( -0.502 10.831 2.597) 11.150 8.586 ( -8.398 4.394 4.733) 10.594 9.725 ( 15.156 -3.448 3.784) 15.997 10.541 ( 4.471 -11.630 -12.400) 17.578 10.963 ( -0.720 -9.909 -10.278) 14.295 13.342 ( -5.075 -1.979 0.657) 5.487 13.887 ( -0.869 21.296 18.105) 27.965 14.646 ( -7.495 7.304 5.982) 12.055 15.910 ( 3.457 2.649 1.814) 4.718 16.316 ( 0.936 -0.020 -0.401) 1.019 16.433 ( -1.747 -10.430 -8.401) 13.506 16.706 ( 1.169 1.425 1.099) 2.146 16.821 ( -1.155 -0.892 -0.884) 1.706 16.957 ( -1.430 -0.356 -1.572) 2.155 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 15.400 20.145 9.194) 26.973 2.986 ( 15.910 4.578 19.097) 25.274 3.785 ( -17.505 -12.863 -9.878) 23.863 4.224 ( 5.541 -16.681 -22.198) 28.315 4.691 ( 5.844 -8.673 5.524) 11.827 5.361 ( -5.282 5.273 -5.854) 9.485 5.610 ( 1.292 7.131 7.796) 10.644 6.254 ( -7.539 -4.498 6.269) 10.787 6.537 ( -7.208 0.777 -8.247) 10.981 7.240 ( 2.612 2.444 3.633) 5.099 7.762 ( -1.189 7.972 1.816) 8.262 8.476 ( -10.773 3.118 2.803) 11.560 10.052 ( 21.988 -3.127 4.157) 22.595 10.334 ( 2.262 -17.767 -16.870) 24.604 10.957 ( 6.264 2.428 -1.334) 6.849 13.204 ( -9.636 -1.246 0.464) 9.727 14.130 ( -2.355 14.064 12.369) 18.876 14.558 ( -14.650 6.478 5.055) 16.797 16.033 ( 6.692 2.596 1.160) 7.272 16.255 ( -1.926 -8.270 -7.000) 11.005 16.336 ( 1.590 -0.532 0.004) 1.677 16.737 ( 0.211 -0.059 0.190) 0.290 16.789 ( -0.914 0.402 -0.042) 0.999 16.916 ( -2.380 -0.071 -0.626) 2.462 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( -9.296 -3.999 -6.247) 11.892 3.467 ( 13.480 14.118 6.919) 20.710 3.572 ( 14.166 -2.338 17.162) 22.376 4.081 ( 10.732 -11.480 -22.444) 27.399 4.753 ( 2.378 -3.944 9.335) 10.409 5.181 ( -11.590 0.705 -10.727) 15.808 5.725 ( -1.246 4.976 5.026) 7.182 6.160 ( -4.702 -4.074 12.223) 13.715 6.335 ( -10.219 2.592 -12.831) 16.607 7.334 ( 3.799 0.740 3.364) 5.128 7.805 ( -1.798 4.249 0.629) 4.657 8.328 ( -10.559 1.597 1.406) 10.771 10.056 ( -2.687 -10.609 -8.818) 14.055 10.521 ( 28.097 -1.929 1.728) 28.216 11.145 ( 12.817 2.489 -0.953) 13.091 12.996 ( -13.743 -0.671 0.306) 13.762 14.204 ( -9.100 4.245 4.326) 10.934 14.361 ( -15.680 6.368 4.517) 17.516 16.117 ( -1.854 -3.758 -3.976) 5.777 16.205 ( 9.303 1.408 0.302) 9.414 16.365 ( 2.424 -0.864 0.461) 2.614 16.701 ( -3.030 -0.584 -0.168) 3.090 16.812 ( 1.513 0.777 0.486) 1.769 16.868 ( -2.830 0.042 -0.158) 2.835 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( -21.551 -0.000 0.000) 21.551 3.767 ( 12.718 0.000 -0.000) 12.718 4.090 ( 25.156 0.000 -0.000) 25.156 4.143 ( 18.136 0.000 -0.000) 18.136 4.766 ( -3.874 -0.000 0.000) 3.874 4.882 ( -18.071 -0.000 0.000) 18.071 5.718 ( -3.531 -0.000 0.000) 3.531 6.103 ( -10.683 -0.000 0.000) 10.683 6.173 ( 1.533 0.000 -0.000) 1.533 7.418 ( 4.095 0.000 -0.000) 4.095 7.793 ( -2.049 -0.000 0.000) 2.049 8.165 ( -10.052 -0.000 0.000) 10.052 9.913 ( -3.871 -0.000 0.000) 3.871 11.025 ( 30.852 0.000 -0.000) 30.852 11.415 ( 17.390 0.000 -0.000) 17.390 12.729 ( -17.072 -0.000 0.000) 17.072 13.896 ( -25.796 -0.000 0.000) 25.796 14.272 ( -4.867 -0.000 0.000) 4.867 16.049 ( -2.396 -0.000 0.000) 2.396 16.396 ( 11.460 0.000 -0.000) 11.460 16.410 ( 3.177 0.000 -0.000) 3.177 16.638 ( -3.761 -0.000 0.000) 3.761 16.819 ( -2.956 -0.000 0.000) 2.956 16.844 ( 1.458 0.000 -0.000) 1.458 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -0.000 18.939 23.192) 29.943 2.715 ( -0.000 11.637 9.210) 14.840 4.124 ( 0.000 -20.146 -22.571) 30.254 4.328 ( 0.000 -18.918 -8.095) 20.577 4.359 ( 0.000 -3.449 -1.876) 3.926 5.493 ( -0.000 14.079 10.025) 17.283 5.529 ( 0.000 -1.388 -0.969) 1.693 6.404 ( 0.000 -3.902 -0.921) 4.009 6.666 ( 0.000 0.247 -1.822) 1.838 7.196 ( -0.000 3.361 1.549) 3.701 7.785 ( -0.000 8.138 2.444) 8.497 8.736 ( -0.000 3.459 3.854) 5.179 9.575 ( -0.000 -2.102 2.268) 3.092 10.281 ( 0.000 -15.659 -13.148) 20.447 10.881 ( 0.000 -0.728 -3.302) 3.382 13.372 ( -0.000 -1.506 0.643) 1.637 14.172 ( -0.000 15.122 12.672) 19.730 14.815 ( -0.000 6.355 5.474) 8.387 15.911 ( -0.000 1.802 1.501) 2.345 16.287 ( 0.000 -6.702 -5.744) 8.827 16.317 ( 0.000 -2.271 -2.303) 3.234 16.713 ( -0.000 0.845 0.667) 1.077 16.820 ( 0.000 -0.485 -0.526) 0.716 16.960 ( 0.000 -0.089 -0.966) 0.970 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 5.728 14.222 5.121) 16.165 2.924 ( 9.795 6.575 18.270) 21.748 3.833 ( 3.488 -16.623 -19.734) 26.037 3.945 ( -16.483 -6.950 -3.654) 18.258 4.494 ( 11.547 -3.517 0.526) 12.082 5.458 ( -5.192 0.293 -2.035) 5.584 5.675 ( 2.870 5.632 4.910) 8.004 6.338 ( -3.804 -1.998 0.548) 4.331 6.620 ( -4.612 0.246 -1.782) 4.951 7.242 ( 1.358 1.713 1.369) 2.579 7.852 ( -0.811 4.355 1.383) 4.641 8.690 ( -9.142 1.777 1.726) 9.472 9.719 ( 15.797 -0.956 1.792) 15.927 10.091 ( 0.746 -9.972 -8.570) 13.169 10.894 ( 2.588 1.058 -0.707) 2.884 13.321 ( -4.934 -0.718 0.329) 4.997 14.330 ( -1.600 7.434 6.349) 9.907 14.831 ( -7.611 4.113 3.500) 9.333 15.966 ( 3.824 1.111 0.791) 4.060 16.172 ( -0.854 -5.337 -4.518) 7.045 16.316 ( 0.585 -0.010 -0.176) 0.611 16.729 ( 0.784 0.234 0.231) 0.851 16.806 ( -0.877 -0.085 -0.209) 0.905 16.944 ( -1.299 -0.025 -0.417) 1.364 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 5.523 0.000 -0.000) 5.523 3.314 ( 17.898 0.000 -0.000) 17.898 3.624 ( -13.453 -0.000 0.000) 13.453 3.752 ( 6.917 0.000 -0.000) 6.917 4.659 ( 8.730 0.000 -0.000) 8.730 5.331 ( -8.717 -0.000 0.000) 8.717 5.760 ( 1.757 0.000 -0.000) 1.757 6.252 ( -5.040 -0.000 0.000) 5.040 6.493 ( -9.375 -0.000 0.000) 9.375 7.291 ( 2.786 0.000 -0.000) 2.786 7.858 ( -1.520 -0.000 0.000) 1.520 8.525 ( -10.974 -0.000 0.000) 10.974 10.011 ( -0.998 -0.000 0.000) 0.998 10.069 ( 23.859 0.000 -0.000) 23.859 10.981 ( 7.335 0.000 -0.000) 7.335 13.194 ( -9.603 -0.000 0.000) 9.603 14.341 ( -3.627 -0.000 0.000) 3.627 14.674 ( -14.238 -0.000 0.000) 14.238 16.069 ( 7.152 0.000 -0.000) 7.152 16.113 ( -1.358 -0.000 0.000) 1.358 16.331 ( 1.359 0.000 -0.000) 1.359 16.734 ( -0.922 -0.000 0.000) 0.922 16.798 ( 0.333 0.000 -0.000) 0.333 16.912 ( -2.244 -0.000 0.000) 2.244 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.000 0.000 0.000) 0.000 2.988 ( -0.000 0.000 0.000) 0.000 3.625 ( 0.000 0.000 -0.000) 0.000 4.103 ( -0.000 0.000 0.000) 0.000 4.317 ( -0.000 0.000 0.000) 0.000 5.501 ( 0.000 0.000 -0.000) 0.000 5.691 ( -0.000 0.000 0.000) 0.000 6.361 ( -0.000 0.000 0.000) 0.000 6.658 ( -0.000 0.000 0.000) 0.000 7.243 ( -0.000 0.000 0.000) 0.000 7.886 ( -0.000 0.000 0.000) 0.000 8.797 ( 0.000 0.000 0.000) 0.000 9.570 ( -0.000 0.000 0.000) 0.000 10.009 ( 0.000 -0.000 -0.000) 0.000 10.876 ( -0.000 0.000 0.000) 0.000 13.361 ( -0.000 0.000 0.000) 0.000 14.401 ( -0.000 0.000 0.000) 0.000 14.929 ( -0.000 0.000 0.000) 0.000 15.940 ( -0.000 0.000 0.000) 0.000 16.137 ( -0.000 0.000 0.000) 0.000 16.311 ( -0.000 0.000 0.000) 0.000 16.724 ( -0.000 0.000 0.000) 0.000 16.813 ( -0.000 0.000 0.000) 0.000 16.954 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -0.000 0.000 34.575) 34.575 0.633 ( -0.000 0.000 34.575) 34.575 0.831 ( -0.000 0.000 45.497) 45.497 5.205 ( 0.000 -0.000 -1.484) 1.484 5.205 ( 0.000 -0.000 -1.484) 1.484 6.242 ( -0.000 0.000 0.995) 0.995 6.242 ( -0.000 0.000 0.995) 0.995 6.680 ( 0.000 -0.000 -2.054) 2.054 7.127 ( 0.000 -0.000 -5.062) 5.062 7.480 ( 0.000 -0.000 -8.028) 8.028 7.480 ( 0.000 -0.000 -8.028) 8.028 8.180 ( 0.000 -0.000 -5.279) 5.279 9.829 ( -0.000 0.000 10.588) 10.588 10.664 ( -0.000 0.000 8.896) 8.896 10.664 ( -0.000 0.000 8.896) 8.896 13.380 ( 0.000 -0.000 -6.195) 6.195 13.960 ( 0.000 -0.000 -5.323) 5.323 13.960 ( 0.000 -0.000 -5.323) 5.323 15.651 ( -0.000 0.000 0.888) 0.888 16.348 ( -0.000 0.000 1.170) 1.170 16.348 ( -0.000 0.000 1.170) 1.170 16.994 ( 0.000 -0.000 -0.955) 0.955 16.994 ( 0.000 -0.000 -0.955) 0.955 17.498 ( 0.000 -0.000 -4.849) 4.849 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 14.292 8.251 14.818) 22.179 1.208 ( 19.170 11.068 31.769) 38.720 1.490 ( 20.900 12.066 42.191) 48.605 5.090 ( -4.577 -2.643 -5.320) 7.499 5.232 ( -1.289 -0.744 1.527) 2.133 6.171 ( -2.904 -1.677 -2.471) 4.166 6.356 ( 6.070 3.505 3.164) 7.690 6.719 ( 3.957 2.285 -0.894) 4.656 6.969 ( -10.548 -6.090 -5.827) 13.502 7.326 ( -10.068 -5.812 -7.087) 13.615 7.387 ( -1.167 -0.674 -14.742) 14.804 8.135 ( -1.306 -0.754 -3.639) 3.939 9.954 ( 6.089 3.515 7.686) 10.417 10.635 ( -0.593 -0.342 7.821) 7.851 10.963 ( 11.761 6.790 17.768) 22.363 13.265 ( -5.911 -3.413 -9.347) 11.574 13.805 ( -4.887 -2.822 -11.743) 13.028 13.986 ( -0.421 -0.243 -0.451) 0.663 15.674 ( 1.500 0.866 1.188) 2.101 16.346 ( 0.318 0.184 0.580) 0.687 16.396 ( 2.140 1.235 2.230) 3.328 16.870 ( -5.990 -3.458 5.330) 8.732 16.971 ( -1.332 -0.769 -1.267) 1.993 17.524 ( 1.307 0.755 -12.180) 12.274 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 29.270 16.899 -4.838) 34.143 1.864 ( 21.460 12.390 29.804) 38.760 2.232 ( 21.285 12.289 42.001) 48.663 4.937 ( -5.417 -3.127 -7.205) 9.541 5.177 ( -4.244 -2.450 2.293) 5.410 6.077 ( -3.155 -1.821 -6.015) 7.032 6.543 ( 7.130 4.116 5.140) 9.706 6.603 ( -17.041 -9.838 -8.256) 21.339 6.831 ( 5.028 2.903 -0.155) 5.808 6.974 ( -15.838 -9.144 -3.084) 18.546 7.237 ( -2.546 -1.470 -20.888) 21.094 8.081 ( -2.675 -1.545 0.786) 3.188 10.192 ( 13.516 7.803 -3.852) 16.075 10.725 ( 2.658 1.535 13.675) 14.015 11.390 ( 14.036 8.104 23.572) 28.606 13.002 ( -10.798 -6.234 -13.582) 18.437 13.598 ( -5.600 -3.233 -16.494) 17.716 13.934 ( -5.773 -3.333 6.260) 9.144 15.737 ( 3.451 1.992 1.271) 4.183 16.370 ( 1.535 0.886 0.505) 1.842 16.465 ( 2.546 1.470 2.540) 3.885 16.799 ( -3.393 -1.959 4.173) 5.724 16.921 ( -2.302 -1.329 -1.537) 3.070 17.403 ( -4.611 -2.662 -12.436) 13.528 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 31.546 18.213 -11.757) 38.276 2.541 ( 22.167 12.798 28.144) 38.043 2.965 ( 20.301 11.721 41.700) 47.837 4.755 ( -6.662 -3.846 -7.425) 10.692 5.071 ( -5.681 -3.280 -0.616) 6.589 5.920 ( -9.086 -5.246 -9.433) 14.108 6.149 ( -14.651 -8.459 -10.917) 20.134 6.451 ( -18.747 -10.823 -1.497) 21.698 6.807 ( 4.445 2.566 12.297) 13.325 7.012 ( 8.539 4.930 -1.057) 9.916 7.015 ( -4.803 -2.773 -23.287) 23.938 8.022 ( -3.658 -2.112 3.459) 5.459 10.507 ( 19.631 11.334 -17.889) 28.877 10.925 ( 5.136 2.965 22.779) 23.538 11.867 ( 13.812 7.975 26.214) 30.684 12.618 ( -14.177 -8.185 -17.115) 23.683 13.349 ( -6.467 -3.734 -19.873) 21.229 13.799 ( -11.295 -6.521 13.201) 18.557 15.850 ( 5.868 3.388 1.112) 6.866 16.420 ( 2.333 1.347 1.156) 2.932 16.538 ( 2.471 1.427 2.289) 3.658 16.750 ( -2.880 -1.663 2.363) 4.080 16.852 ( -2.713 -1.566 -1.861) 3.644 17.185 ( -7.749 -4.474 -11.442) 14.525 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 31.406 18.132 -13.977) 38.864 3.204 ( 21.147 12.209 25.257) 35.131 3.657 ( 18.114 10.458 39.779) 44.943 4.532 ( -9.173 -5.296 -8.169) 13.376 4.880 ( -9.649 -5.571 -8.345) 13.921 5.473 ( -20.194 -11.659 -11.257) 25.893 5.902 ( -5.040 -2.910 -9.640) 11.260 6.040 ( -15.619 -9.018 4.229) 18.524 6.748 ( -5.302 -3.061 -24.533) 25.285 6.995 ( 2.719 1.570 19.397) 19.649 7.213 ( 9.988 5.766 -3.949) 12.190 7.953 ( -4.581 -2.645 4.040) 6.656 10.857 ( 23.111 13.343 -26.871) 37.871 11.238 ( 8.605 4.968 27.646) 29.378 12.104 ( -13.063 -7.542 -18.107) 23.567 12.377 ( 8.648 4.993 24.834) 26.767 13.059 ( -7.612 -4.395 -22.153) 23.833 13.586 ( -15.970 -9.220 19.486) 26.829 16.019 ( 8.505 4.910 0.649) 9.842 16.488 ( 2.532 1.462 2.422) 3.797 16.603 ( 2.117 1.222 1.163) 2.707 16.684 ( -3.645 -2.105 -0.944) 4.314 16.778 ( -2.568 -1.483 -2.211) 3.699 16.934 ( -8.469 -4.890 -7.309) 12.209 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 28.984 16.734 -12.464) 35.714 3.770 ( 14.893 8.598 17.204) 24.325 4.202 ( -14.235 -8.218 -13.874) 21.510 4.211 ( 5.577 3.220 24.010) 24.859 4.560 ( -6.376 -3.681 -5.826) 9.388 5.010 ( -15.054 -8.691 0.570) 17.392 5.724 ( -5.958 -3.440 -7.573) 10.231 5.850 ( -4.889 -2.823 10.018) 11.499 6.496 ( -2.526 -1.459 -26.859) 27.017 7.166 ( 0.821 0.474 23.536) 23.555 7.402 ( 8.919 5.149 -5.497) 11.674 7.859 ( -5.758 -3.324 3.745) 7.631 11.229 ( 24.163 13.951 -27.604) 39.249 11.604 ( -16.365 -9.448 -24.564) 30.992 11.640 ( 12.088 6.979 24.367) 28.082 12.735 ( -8.381 -4.839 -23.165) 25.105 12.741 ( 4.545 2.624 28.208) 28.692 13.341 ( -15.521 -8.961 24.547) 30.393 16.242 ( 10.794 6.232 -0.488) 12.473 16.518 ( -6.857 -3.959 -9.931) 12.701 16.561 ( 2.097 1.211 3.731) 4.448 16.670 ( 1.720 0.993 2.241) 2.995 16.712 ( -1.926 -1.112 -2.017) 3.002 16.754 ( -5.468 -3.157 1.427) 6.473 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( -0.601 -0.347 -11.253) 11.274 3.618 ( -19.337 -11.164 -28.140) 35.923 4.027 ( 4.914 2.837 -13.633) 14.767 4.063 ( -5.207 -3.006 14.270) 15.485 4.878 ( -1.681 -0.970 15.353) 15.475 4.882 ( 14.301 8.256 23.222) 28.495 5.583 ( -1.182 -0.682 -3.470) 3.729 5.905 ( 2.886 1.667 11.841) 12.301 6.314 ( 1.515 0.875 -28.617) 28.671 7.326 ( 0.115 0.067 25.496) 25.496 7.544 ( 6.785 3.917 -6.896) 10.437 7.734 ( -7.183 -4.147 3.477) 8.993 11.089 ( -14.802 -8.546 -26.048) 31.155 11.603 ( 21.987 12.694 -26.117) 36.423 12.036 ( 9.473 5.469 12.851) 16.876 12.446 ( -2.226 -1.285 -16.894) 17.088 12.745 ( -19.383 -11.191 29.077) 36.693 13.351 ( 2.644 1.526 25.638) 25.819 16.282 ( -7.795 -4.500 -9.513) 13.096 16.485 ( 10.612 6.127 -3.172) 12.658 16.601 ( -0.504 -0.291 -0.793) 0.984 16.665 ( -4.012 -2.316 3.136) 5.594 16.704 ( 2.219 1.281 5.034) 5.648 16.725 ( 1.842 1.064 1.980) 2.906 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -21.605 -12.474 -32.631) 41.075 3.030 ( -24.580 -14.191 -18.351) 33.798 3.840 ( -22.147 -12.787 21.647) 33.505 4.405 ( 20.749 11.979 -0.872) 23.975 4.920 ( -1.532 -0.885 1.973) 2.650 5.333 ( 15.861 9.158 12.804) 22.347 5.738 ( 13.346 7.705 7.643) 17.202 6.081 ( 5.156 2.977 12.119) 13.502 6.208 ( 4.096 2.365 -27.685) 28.086 7.491 ( 0.797 0.460 25.479) 25.496 7.574 ( -8.767 -5.062 3.532) 10.722 7.627 ( 4.796 2.769 -8.808) 10.404 10.627 ( -11.455 -6.614 -25.892) 29.075 11.710 ( -2.799 -1.616 -25.817) 26.019 12.196 ( 15.327 8.849 -13.066) 21.999 12.390 ( -26.204 -15.129 31.173) 43.443 12.644 ( 15.609 9.012 6.487) 19.155 13.606 ( 5.014 2.895 22.934) 23.654 16.065 ( -6.702 -3.869 -6.780) 10.289 16.552 ( -1.724 -0.995 -3.826) 4.313 16.597 ( -3.780 -2.182 3.230) 5.430 16.634 ( 3.982 2.299 -1.607) 4.871 16.781 ( 2.073 1.197 1.549) 2.851 16.890 ( 9.968 5.755 5.561) 12.783 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -21.862 -12.622 -32.966) 41.521 2.336 ( -25.678 -14.825 -18.876) 35.149 3.369 ( -31.922 -18.430 27.776) 46.154 4.820 ( 13.031 7.524 8.053) 17.067 4.885 ( 0.838 0.484 -6.327) 6.401 5.783 ( 19.643 11.341 2.739) 22.846 6.153 ( 5.733 3.310 -20.452) 21.497 6.177 ( 17.819 10.288 5.972) 21.424 6.251 ( 2.961 1.709 11.016) 11.535 7.379 ( -10.273 -5.931 3.660) 12.414 7.640 ( 1.314 0.759 0.994) 1.814 7.697 ( 4.671 2.697 11.118) 12.357 10.261 ( -7.189 -4.150 -23.528) 24.949 11.369 ( -10.713 -6.185 -23.208) 26.299 11.967 ( -27.469 -15.859 31.548) 44.736 12.543 ( 19.826 11.446 -13.537) 26.596 13.045 ( 15.915 9.188 4.096) 18.828 13.835 ( 3.468 2.002 19.294) 19.705 15.897 ( -5.166 -2.982 -4.023) 7.195 16.484 ( -1.982 -1.144 -4.383) 4.945 16.532 ( -3.594 -2.075 3.094) 5.176 16.687 ( 1.329 0.767 0.769) 1.717 16.839 ( 2.285 1.319 1.136) 2.873 17.165 ( 11.466 6.620 2.158) 13.415 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( -22.183 -12.807 -31.009) 40.220 1.645 ( -25.152 -14.522 -16.811) 33.558 2.751 ( -37.477 -21.637 30.094) 52.710 4.900 ( 4.276 2.469 -7.531) 9.006 5.092 ( 5.968 3.446 10.788) 12.801 6.140 ( 5.235 3.023 -19.057) 19.993 6.233 ( 15.072 8.702 2.123) 17.532 6.362 ( 5.390 3.112 5.699) 8.438 6.652 ( 18.577 10.726 6.331) 22.366 7.156 ( -11.022 -6.364 3.363) 13.164 7.632 ( 1.066 0.615 -8.749) 8.835 7.902 ( 5.207 3.006 14.391) 15.597 10.013 ( -3.463 -1.999 -18.200) 18.634 10.994 ( -10.192 -5.885 -19.047) 22.390 11.539 ( -26.322 -15.197 29.551) 42.392 12.892 ( 16.975 9.801 -10.824) 22.391 13.400 ( 14.046 8.109 -0.404) 16.224 13.996 ( 1.416 0.817 14.671) 14.762 15.779 ( -3.689 -2.130 -1.864) 4.649 16.412 ( -1.877 -1.084 -4.220) 4.744 16.472 ( -3.312 -1.912 2.878) 4.787 16.712 ( 0.274 0.158 1.806) 1.834 16.897 ( 2.338 1.350 0.626) 2.772 17.421 ( 10.227 5.905 -0.649) 11.828 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -22.480 -12.979 -25.344) 36.279 0.996 ( -23.922 -13.811 -10.589) 29.582 2.050 ( -40.188 -23.203 31.428) 56.046 4.982 ( 6.478 3.740 -6.508) 9.915 5.232 ( 1.335 0.771 8.353) 8.494 6.156 ( 4.580 2.644 -12.538) 13.608 6.325 ( -2.307 -1.332 6.853) 7.352 6.720 ( 17.397 10.044 -1.722) 20.162 6.930 ( -9.787 -5.651 1.961) 11.470 7.078 ( 16.110 9.301 1.331) 18.650 7.592 ( 0.434 0.251 -9.335) 9.349 8.084 ( 4.358 2.516 7.769) 9.256 9.872 ( -1.722 -0.994 -9.252) 9.463 10.699 ( -6.650 -3.839 -12.158) 14.380 11.145 ( -22.422 -12.946 24.504) 35.648 13.170 ( 12.220 7.055 -7.769) 16.108 13.674 ( 11.267 6.505 -4.445) 13.748 14.075 ( -0.810 -0.468 8.627) 8.678 15.703 ( -2.402 -1.387 -0.453) 2.810 16.354 ( -1.132 -0.654 -2.905) 3.186 16.418 ( -2.843 -1.642 2.500) 4.127 16.729 ( 0.004 0.002 3.525) 3.525 16.950 ( 2.007 1.159 0.045) 2.318 17.610 ( 7.393 4.268 -4.422) 9.614 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.000 -9.772 37.820) 39.062 0.949 ( -0.000 2.318 31.634) 31.719 2.002 ( -0.000 42.217 38.044) 56.830 5.015 ( 0.000 -9.374 -4.988) 10.618 5.300 ( 0.000 5.904 -0.030) 5.904 6.101 ( 0.000 -10.559 -4.507) 11.481 6.373 ( -0.000 5.867 4.334) 7.294 6.744 ( 0.000 8.778 -0.317) 8.784 6.947 ( 0.000 -10.680 -6.422) 12.462 7.240 ( 0.000 -9.050 -10.501) 13.863 7.307 ( 0.000 -5.598 -16.387) 17.317 8.144 ( 0.000 4.871 -4.240) 6.458 9.940 ( -0.000 -5.468 11.298) 12.552 10.616 ( -0.000 -6.688 7.052) 9.719 11.193 ( -0.000 26.370 21.665) 34.129 13.167 ( 0.000 -12.204 -13.134) 17.928 13.713 ( 0.000 -7.398 -9.333) 11.909 14.037 ( 0.000 8.490 -3.896) 9.342 15.679 ( -0.000 1.104 1.705) 2.031 16.338 ( -0.000 -1.327 1.037) 1.684 16.417 ( -0.000 3.144 2.680) 4.132 16.906 ( -0.000 -4.526 2.926) 5.389 16.967 ( 0.000 -1.154 -1.509) 1.900 17.441 ( 0.000 -0.198 -12.029) 12.031 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 9.989 10.898 17.791) 23.132 1.522 ( 28.428 -5.045 35.392) 45.675 2.673 ( 2.761 41.282 36.857) 55.410 4.878 ( -1.348 -9.047 -5.713) 10.784 5.300 ( -6.036 4.568 -0.651) 7.597 5.968 ( 2.591 -12.659 -6.859) 14.629 6.490 ( 3.293 2.819 1.934) 4.747 6.671 ( -9.346 -14.301 -7.690) 18.734 6.859 ( 1.058 9.848 2.001) 10.105 7.032 ( -6.774 -11.904 -7.356) 15.547 7.127 ( -1.183 -2.222 -19.646) 19.807 8.155 ( -3.515 6.173 -1.575) 7.276 10.008 ( 8.382 -4.744 4.820) 10.771 10.659 ( 6.828 -6.955 10.478) 14.310 11.640 ( 1.558 30.179 25.256) 39.384 12.885 ( -2.775 -19.629 -18.054) 26.814 13.561 ( -4.459 -3.629 -10.227) 11.732 14.072 ( -4.079 7.721 -0.382) 8.741 15.719 ( 1.828 1.731 1.883) 3.144 16.344 ( 1.478 -1.121 1.127) 2.170 16.478 ( 1.055 3.436 2.842) 4.582 16.858 ( -2.978 -2.547 3.000) 4.935 16.931 ( -1.444 -1.309 -1.731) 2.607 17.337 ( -1.214 -4.027 -13.416) 14.060 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 22.055 17.243 2.738) 28.129 2.202 ( 31.243 -4.901 34.537) 46.829 3.346 ( 4.083 37.402 35.646) 51.829 4.721 ( -2.885 -8.710 -5.914) 10.916 5.184 ( -8.647 0.934 -4.051) 9.594 5.850 ( 1.722 -10.981 -7.761) 13.556 6.147 ( -12.980 -22.246 -13.622) 29.137 6.626 ( -9.914 -3.415 -3.162) 10.952 6.748 ( 1.830 -4.302 -0.039) 4.676 6.969 ( -3.090 2.387 -16.688) 17.138 7.026 ( 2.193 9.414 5.288) 11.018 8.126 ( -5.677 4.587 0.830) 7.346 10.188 ( 15.127 1.919 -7.916) 17.181 10.835 ( 12.485 -9.422 18.598) 24.301 12.124 ( 1.230 29.498 25.756) 39.179 12.484 ( -4.156 -24.002 -20.538) 31.862 13.362 ( -8.565 0.050 -12.605) 15.240 14.037 ( -9.266 4.697 5.647) 11.824 15.802 ( 4.094 2.902 1.339) 5.194 16.380 ( 2.947 -1.026 1.775) 3.590 16.549 ( 1.239 3.365 2.429) 4.332 16.795 ( -3.294 -2.715 1.848) 4.651 16.875 ( -2.445 -0.946 -1.935) 3.258 17.160 ( -4.034 -5.575 -12.814) 14.545 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 26.028 19.024 -4.614) 32.568 2.901 ( 30.761 -3.432 32.445) 44.841 3.968 ( 4.212 30.393 32.710) 44.849 4.515 ( -5.937 -11.449 -7.172) 14.757 4.973 ( -10.095 -2.923 -10.016) 14.518 5.575 ( -14.910 -15.078 -8.304) 22.773 5.763 ( 1.678 -13.160 -13.798) 19.142 6.283 ( -16.536 -6.659 3.292) 18.128 6.659 ( -4.314 -3.970 -18.839) 19.730 7.024 ( 6.214 7.422 2.488) 9.994 7.197 ( 2.520 8.456 7.641) 11.672 8.066 ( -6.545 2.754 2.219) 7.440 10.457 ( 19.704 8.587 -18.942) 28.649 11.117 ( 16.553 -11.098 24.470) 31.559 11.996 ( -6.416 -25.013 -22.754) 34.417 12.590 ( 0.974 23.796 24.099) 33.881 13.126 ( -11.504 4.536 -12.871) 17.849 13.915 ( -14.550 0.922 12.000) 18.883 15.935 ( 6.762 4.440 0.128) 8.091 16.443 ( 3.915 -1.440 2.977) 5.124 16.609 ( 0.622 2.226 0.602) 2.388 16.708 ( -3.329 -3.565 -0.953) 4.969 16.806 ( -3.101 -0.640 -2.651) 4.130 16.958 ( -5.341 -4.422 -7.802) 10.438 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 27.346 18.870 -7.221) 34.000 3.560 ( 26.125 -0.671 27.096) 37.645 4.117 ( -11.626 -21.104 -14.169) 27.952 4.448 ( -1.021 11.633 17.838) 21.321 4.714 ( -9.777 4.891 -4.336) 11.761 5.190 ( -12.979 -3.620 -1.760) 13.588 5.585 ( 1.927 -13.954 -10.946) 17.840 6.050 ( -10.353 -0.961 9.534) 14.107 6.401 ( -6.362 -2.553 -21.846) 22.896 7.227 ( 6.978 4.647 5.020) 9.772 7.364 ( 2.054 6.763 9.074) 11.502 7.984 ( -7.395 1.532 2.787) 8.050 10.790 ( 22.616 12.389 -25.326) 36.144 11.387 ( 5.969 -20.138 -5.673) 21.756 11.575 ( 6.372 -15.208 8.325) 18.471 12.722 ( -10.745 3.019 -10.598) 15.391 13.102 ( -4.879 22.855 18.026) 29.514 13.714 ( -17.989 -2.815 18.063) 25.647 16.120 ( 9.342 5.842 -1.533) 11.125 16.500 ( -1.889 -4.936 -5.820) 7.862 16.527 ( 1.115 -3.510 0.946) 3.803 16.696 ( 0.101 3.009 2.140) 3.693 16.726 ( -2.689 -1.090 -2.482) 3.818 16.822 ( -4.451 -1.571 -0.226) 4.726 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 9.903 -3.322 -10.247) 14.633 3.576 ( -0.235 -7.067 -17.971) 19.312 4.055 ( 6.805 1.276 13.145) 14.857 4.242 ( -17.101 4.252 -11.808) 21.212 4.774 ( 2.944 -5.056 16.083) 17.115 5.161 ( -2.948 12.253 15.452) 19.940 5.446 ( 4.895 -13.126 -5.304) 14.979 6.017 ( -3.603 2.546 14.400) 15.061 6.157 ( -2.595 0.526 -26.469) 26.601 7.402 ( 6.356 2.890 1.681) 7.182 7.507 ( 0.529 3.957 13.436) 14.017 7.878 ( -8.539 1.065 3.014) 9.118 10.894 ( -2.777 -22.990 -25.391) 34.365 11.217 ( 20.976 14.212 -26.899) 36.953 11.915 ( 18.440 -6.714 24.344) 31.268 12.424 ( -13.067 0.634 -16.571) 21.113 13.245 ( -19.545 7.335 20.867) 29.517 13.589 ( -5.891 5.851 23.167) 24.610 16.282 ( -4.111 -5.424 -9.071) 11.340 16.348 ( 8.885 5.731 -3.969) 11.293 16.582 ( 1.887 -2.225 2.256) 3.688 16.665 ( 0.172 -2.030 0.706) 2.156 16.750 ( -3.719 -0.285 1.723) 4.109 16.758 ( 0.669 3.327 2.886) 4.455 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -15.855 -31.130 -21.237) 40.883 3.549 ( -29.820 10.099 -18.650) 36.593 4.057 ( 8.625 2.499 2.812) 9.410 4.238 ( 1.778 9.062 6.234) 11.142 4.905 ( 4.132 -7.002 7.300) 10.927 5.284 ( 5.466 -0.301 12.825) 13.945 5.566 ( 14.037 1.020 7.636) 16.012 5.992 ( 2.002 1.654 -24.436) 24.573 6.150 ( 2.296 5.573 11.423) 12.916 7.503 ( 4.320 1.359 -6.580) 7.988 7.636 ( -0.215 0.762 19.664) 19.680 7.756 ( -9.187 1.738 3.845) 10.109 10.445 ( -4.050 -21.041 -23.060) 31.478 11.576 ( 16.156 17.167 -26.605) 35.547 12.046 ( -7.468 5.082 -17.964) 20.107 12.395 ( 19.179 -8.453 20.160) 29.081 12.944 ( -27.319 -6.450 24.277) 37.112 13.789 ( -0.660 10.697 20.101) 22.779 16.084 ( -5.410 -4.650 -6.961) 9.968 16.536 ( 7.738 2.873 -3.331) 8.901 16.546 ( -1.883 -1.334 -2.635) 3.503 16.667 ( -2.830 -0.828 2.102) 3.621 16.766 ( 4.118 1.729 2.259) 5.005 16.835 ( 3.726 2.485 4.650) 6.456 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -16.189 -29.724 -18.413) 38.531 2.931 ( -37.452 12.711 -22.805) 45.654 3.860 ( -24.307 -14.018 24.381) 37.172 4.628 ( 14.504 4.323 5.503) 16.104 4.896 ( 4.066 6.221 -8.379) 11.200 5.560 ( 15.785 1.752 6.882) 17.309 5.928 ( 11.391 3.592 -16.420) 20.305 5.944 ( 14.742 1.152 1.952) 14.916 6.321 ( 2.671 3.991 12.045) 12.967 7.480 ( -3.080 -2.890 -3.646) 5.580 7.625 ( -5.015 3.794 -4.804) 7.914 7.797 ( 0.909 -0.298 21.483) 21.504 10.090 ( -1.644 -14.208 -18.768) 23.597 11.501 ( -16.795 9.125 -22.483) 29.510 12.169 ( 22.516 11.748 -22.674) 34.046 12.502 ( -27.743 -11.702 28.390) 41.384 12.818 ( 18.657 -4.660 15.539) 24.723 13.977 ( -0.581 6.478 15.999) 17.270 15.927 ( -4.699 -2.859 -3.958) 6.776 16.475 ( -2.132 -1.627 -3.157) 4.143 16.607 ( -3.212 -0.524 1.667) 3.656 16.641 ( 3.547 -0.261 0.112) 3.558 16.840 ( 1.197 2.684 0.746) 3.032 17.029 ( 11.354 3.641 1.595) 12.029 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -16.897 -23.836 -10.745) 31.131 2.272 ( -38.887 14.701 -22.598) 47.318 3.349 ( -34.305 -19.521 29.670) 49.378 4.758 ( 6.467 -2.168 -4.216) 8.018 5.120 ( 6.176 8.345 6.145) 12.064 5.890 ( 15.936 2.130 -13.207) 20.806 5.996 ( 14.356 8.160 -10.879) 19.774 6.332 ( 13.371 -0.951 9.642) 16.512 6.480 ( 8.616 2.897 8.026) 12.127 7.314 ( -10.378 -4.030 1.197) 11.197 7.569 ( -0.239 3.709 -12.959) 13.482 7.944 ( 2.977 -1.921 18.105) 18.449 9.891 ( 0.494 -4.767 -11.863) 12.794 11.134 ( -18.101 6.830 -20.602) 28.262 12.051 ( -29.059 -14.571 29.154) 43.665 12.555 ( 22.826 11.395 -20.153) 32.512 13.184 ( 17.621 -1.771 9.556) 20.123 14.088 ( -0.619 0.902 11.407) 11.459 15.817 ( -4.032 -1.191 -1.517) 4.469 16.406 ( -1.955 -1.083 -3.150) 3.863 16.547 ( -4.224 -0.331 2.124) 4.739 16.693 ( 2.637 -1.282 1.635) 3.357 16.884 ( 1.300 1.630 0.393) 2.121 17.267 ( 11.879 3.674 -2.329) 12.650 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -17.763 -5.216 6.943) 19.772 1.626 ( -38.705 15.363 -19.308) 45.901 2.702 ( -38.895 -21.720 31.844) 54.759 4.847 ( 7.761 1.841 -5.663) 9.782 5.257 ( 1.540 -1.126 7.002) 7.257 6.001 ( 7.767 5.169 -13.700) 16.576 6.365 ( 12.674 4.054 -0.715) 13.326 6.467 ( 8.577 1.664 4.170) 9.681 6.810 ( 19.892 -0.123 1.054) 19.920 7.087 ( -11.696 -4.004 1.176) 12.418 7.520 ( 0.839 2.823 -15.369) 15.649 8.070 ( 3.812 -3.597 11.692) 12.813 9.862 ( 0.266 5.876 -3.190) 6.691 10.799 ( -13.822 4.771 -15.953) 21.641 11.596 ( -27.021 -15.020 27.572) 41.424 12.903 ( 18.995 8.266 -15.666) 25.972 13.489 ( 13.983 1.356 2.211) 14.221 14.112 ( -0.715 -4.862 6.367) 8.043 15.743 ( -3.446 0.037 -0.031) 3.446 16.355 ( -1.381 0.190 -2.194) 2.600 16.485 ( -4.058 -0.510 2.341) 4.713 16.730 ( 1.630 -1.314 3.114) 3.752 16.923 ( 1.911 0.508 -0.237) 1.992 17.462 ( 9.892 2.447 -6.024) 11.838 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 0.261 35.360) 35.361 1.453 ( -0.000 10.186 29.131) 30.860 3.280 ( -0.000 41.255 33.746) 53.299 4.766 ( 0.000 -8.795 -5.215) 10.225 5.407 ( 0.000 5.878 -3.413) 6.797 5.719 ( 0.000 -18.170 -10.191) 20.833 6.415 ( 0.000 -22.599 -7.714) 23.879 6.598 ( -0.000 -0.384 1.608) 1.653 6.920 ( 0.000 -7.954 -8.464) 11.615 6.989 ( 0.000 12.120 0.258) 12.122 7.007 ( 0.000 0.213 -16.247) 16.248 8.266 ( 0.000 9.495 -1.197) 9.570 9.902 ( -0.000 -10.854 10.964) 15.428 10.588 ( -0.000 -4.232 6.425) 7.693 12.116 ( -0.000 34.038 26.460) 43.113 12.545 ( 0.000 -26.475 -22.539) 34.770 13.525 ( 0.000 -2.360 -6.500) 6.915 14.195 ( 0.000 11.220 -2.252) 11.444 15.734 ( -0.000 1.739 2.658) 3.176 16.325 ( -0.000 -1.290 1.227) 1.780 16.524 ( -0.000 3.731 3.132) 4.871 16.874 ( -0.000 -2.617 1.591) 3.063 16.918 ( 0.000 -1.590 -1.811) 2.410 17.215 ( 0.000 -5.462 -13.797) 14.839 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 7.201 12.029 22.106) 26.177 1.948 ( 20.963 4.498 33.713) 39.953 3.880 ( 1.226 37.431 30.460) 48.274 4.640 ( -1.639 -8.260 -4.830) 9.708 5.283 ( -8.871 -4.697 -10.822) 14.761 5.583 ( 7.601 -11.830 -11.699) 18.292 6.004 ( -7.895 -29.361 -8.136) 31.474 6.652 ( 1.455 2.663 -3.250) 4.446 6.724 ( -6.087 -9.302 -5.672) 12.481 6.948 ( -0.148 5.163 -9.857) 11.128 7.141 ( 0.862 13.055 3.650) 13.584 8.302 ( -5.841 8.831 -0.066) 10.589 9.942 ( 9.224 -7.495 5.613) 13.144 10.661 ( 7.934 -5.289 10.060) 13.861 12.111 ( -1.241 -29.421 -24.404) 38.245 12.606 ( -0.819 33.070 25.695) 41.887 13.428 ( -4.980 -0.273 -6.579) 8.256 14.256 ( -5.077 10.568 0.308) 11.728 15.787 ( 2.011 2.367 2.548) 4.017 16.337 ( 1.824 -1.269 1.670) 2.780 16.584 ( 0.520 3.393 2.737) 4.390 16.820 ( -2.655 -4.355 -0.640) 5.141 16.883 ( -1.061 -1.299 -1.975) 2.591 17.069 ( -1.176 -5.009 -12.118) 13.165 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 15.752 17.796 9.721) 25.677 2.599 ( 26.309 1.505 34.813) 43.662 4.396 ( -1.040 22.708 17.366) 28.606 4.468 ( -4.319 -5.466 0.796) 7.011 4.985 ( -6.593 -9.317 -14.336) 18.324 5.439 ( 2.714 -20.514 -18.872) 28.006 5.624 ( -7.111 -10.107 0.646) 12.375 6.461 ( -10.717 -6.799 -1.790) 12.818 6.604 ( -3.507 -1.684 -10.977) 11.646 7.016 ( 3.716 8.650 -1.973) 9.619 7.313 ( 1.228 10.957 7.371) 13.262 8.255 ( -8.475 6.748 1.026) 10.882 10.124 ( 15.614 0.599 -5.799) 16.667 10.865 ( 14.175 -9.245 15.990) 23.282 11.638 ( -2.165 -29.939 -22.923) 37.769 13.006 ( -5.134 24.308 15.439) 29.251 13.308 ( -6.324 7.800 -0.061) 10.042 14.227 ( -10.722 7.589 4.882) 14.014 15.883 ( 4.422 3.683 1.134) 5.866 16.380 ( 3.308 -1.717 2.707) 4.607 16.619 ( -1.205 -1.012 -1.489) 2.166 16.708 ( -1.586 -3.535 -2.354) 4.533 16.827 ( -2.351 -1.239 -2.800) 3.861 16.947 ( -2.452 -1.956 -5.503) 6.334 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 20.416 19.449 2.145) 28.278 3.280 ( 27.113 0.813 32.863) 42.612 4.041 ( -14.887 -21.652 -14.529) 30.026 4.588 ( -3.522 -3.375 -6.329) 7.991 4.915 ( -2.671 12.178 12.437) 17.610 5.219 ( 4.304 -13.089 -9.018) 16.468 5.439 ( -7.968 -1.243 -4.743) 9.356 6.234 ( -8.750 -2.714 -0.207) 9.163 6.411 ( -8.754 -2.527 -8.117) 12.202 7.173 ( 5.943 7.533 -2.530) 9.923 7.484 ( 1.024 7.791 11.542) 13.963 8.171 ( -8.916 4.883 1.701) 10.307 10.401 ( 19.450 7.571 -16.252) 26.453 11.013 ( 5.414 -22.982 -12.366) 26.653 11.313 ( 10.459 -17.480 12.789) 24.052 12.938 ( -14.230 6.198 -10.112) 18.525 13.520 ( -2.563 23.489 20.064) 30.998 14.097 ( -16.131 3.255 9.908) 19.209 16.026 ( 7.078 5.179 -1.084) 8.837 16.436 ( 1.548 -3.795 -0.669) 4.153 16.469 ( -1.445 -6.916 -4.521) 8.388 16.728 ( 1.087 2.303 1.775) 3.104 16.750 ( -3.184 -0.809 -2.431) 4.087 16.872 ( -3.034 -0.465 -1.047) 3.243 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 15.439 9.620 -2.880) 18.417 3.453 ( -11.258 -15.563 -15.254) 24.528 3.914 ( 22.579 2.123 25.922) 34.442 4.412 ( -6.375 -3.038 -11.653) 13.626 4.894 ( -10.927 -0.346 5.519) 12.247 5.137 ( 5.670 -14.577 -9.929) 18.526 5.423 ( -2.199 11.914 10.633) 16.120 6.082 ( -4.809 1.846 -19.070) 19.753 6.224 ( -8.237 -2.670 13.816) 16.305 7.317 ( 5.848 5.726 -5.691) 9.969 7.638 ( 0.388 3.959 15.483) 15.986 8.069 ( -9.112 3.533 1.997) 9.975 10.547 ( 0.139 -19.511 -21.714) 29.192 10.812 ( 19.956 6.630 -23.257) 31.355 11.629 ( 20.684 -12.450 27.529) 36.615 12.647 ( -17.500 6.157 -14.305) 23.427 13.762 ( -13.097 15.728 15.612) 25.742 13.900 ( -11.500 1.923 16.763) 20.419 16.196 ( 6.215 2.918 -4.614) 8.272 16.268 ( -1.163 -3.659 -7.425) 8.359 16.519 ( 4.384 -3.319 4.725) 7.250 16.672 ( -2.859 -1.061 -1.923) 3.606 16.787 ( 1.157 2.513 2.115) 3.482 16.814 ( -3.216 -0.116 0.474) 3.253 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.657 ( -20.019 -23.049 -12.312) 32.918 3.720 ( 17.515 14.096 -1.016) 22.506 4.118 ( -17.821 9.082 -18.415) 27.188 4.312 ( 6.695 4.736 3.996) 9.122 4.832 ( 0.978 -8.149 17.069) 18.940 5.079 ( 11.373 -16.077 3.792) 20.054 5.561 ( 0.386 7.383 5.965) 9.500 5.881 ( -3.980 3.024 -22.108) 22.666 6.256 ( -0.376 0.551 17.022) 17.035 7.406 ( 4.248 3.974 -9.292) 10.963 7.763 ( -0.244 0.169 17.468) 17.470 7.954 ( -9.207 2.435 2.235) 9.783 10.168 ( -3.108 -19.437 -16.990) 26.003 11.192 ( 25.202 15.391 -26.303) 39.547 12.044 ( 20.867 -10.412 25.073) 34.242 12.300 ( -18.085 5.894 -15.789) 24.720 13.488 ( -26.573 -3.946 17.721) 32.182 14.031 ( -2.344 9.976 14.654) 17.882 16.077 ( -3.803 -4.488 -5.738) 8.217 16.406 ( 8.669 4.538 -4.434) 10.742 16.557 ( -1.197 -0.651 -0.860) 1.612 16.648 ( 3.793 -2.036 2.631) 5.045 16.769 ( -2.265 0.114 1.297) 2.612 16.842 ( 1.284 1.645 2.196) 3.029 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -21.531 -16.535 -5.346) 27.669 3.521 ( -31.749 11.104 -19.814) 39.037 4.140 ( -3.221 -2.563 10.619) 11.389 4.541 ( 13.564 14.827 1.746) 20.171 4.738 ( -0.239 -10.153 -4.085) 10.946 5.336 ( 17.271 -10.131 16.885) 26.192 5.670 ( 8.972 2.612 -11.929) 15.154 5.811 ( 3.485 6.134 -6.198) 9.391 6.376 ( 2.170 -0.271 14.191) 14.359 7.424 ( 1.838 2.126 -11.393) 11.734 7.776 ( -8.438 0.206 2.613) 8.835 7.900 ( -0.955 -1.944 15.281) 15.434 9.896 ( -1.472 -9.942 -9.476) 13.814 11.601 ( 18.414 17.446 -25.905) 36.256 11.924 ( -13.312 7.068 -20.902) 25.770 12.486 ( 22.101 -10.098 23.098) 33.525 13.062 ( -28.881 -9.926 21.615) 37.415 14.136 ( -2.183 3.612 9.937) 10.796 15.957 ( -3.826 -1.765 -2.278) 4.790 16.489 ( -2.273 -0.590 -2.445) 3.390 16.542 ( 5.152 1.127 -2.174) 5.705 16.680 ( -2.287 -0.149 1.472) 2.724 16.821 ( 5.668 2.135 -0.453) 6.073 16.902 ( 4.799 -0.124 2.282) 5.315 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -21.428 -3.463 7.256) 22.887 2.927 ( -36.354 14.620 -22.388) 45.129 3.879 ( -26.953 -15.496 26.129) 40.612 4.614 ( 3.986 -4.026 -2.705) 6.278 5.048 ( 17.309 12.040 -2.207) 21.200 5.521 ( 14.570 -5.336 -8.042) 17.476 5.805 ( 10.293 6.551 -11.303) 16.632 6.059 ( 18.249 -0.536 7.127) 19.599 6.480 ( 1.864 -2.122 11.721) 12.056 7.373 ( -1.372 0.095 -10.294) 10.386 7.610 ( -9.042 0.116 -4.893) 10.282 7.972 ( 1.662 -5.456 15.403) 16.425 9.823 ( 0.767 2.442 -0.051) 2.560 11.441 ( -21.657 11.293 -22.083) 32.928 12.112 ( 25.834 12.121 -24.927) 37.890 12.583 ( -29.687 -14.180 25.040) 41.345 12.893 ( 20.546 -7.267 17.469) 27.930 14.149 ( -1.693 -3.688 5.293) 6.670 15.879 ( -4.126 0.616 0.435) 4.195 16.424 ( -2.656 0.252 -2.703) 3.798 16.612 ( 0.950 -0.061 0.320) 1.005 16.641 ( -0.438 -0.915 1.853) 2.112 16.879 ( 1.018 0.860 -0.572) 1.450 17.067 ( 12.012 0.770 -2.522) 12.298 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -17.916 16.622 23.051) 33.595 2.312 ( -37.411 16.346 -21.192) 45.998 3.330 ( -35.673 -19.685 30.777) 51.062 4.690 ( 8.461 1.051 -5.356) 10.069 5.233 ( 1.845 -4.019 3.132) 5.419 5.784 ( 19.335 5.912 -12.978) 24.025 6.019 ( 16.670 5.525 -9.624) 20.026 6.410 ( 19.901 -3.468 4.252) 20.644 6.542 ( 0.621 -3.030 10.297) 10.752 7.239 ( -8.480 -1.981 -4.165) 9.653 7.442 ( -2.711 0.155 -15.140) 15.381 8.029 ( 2.740 -7.398 11.466) 13.918 9.961 ( 1.669 14.446 8.788) 16.991 11.046 ( -19.847 9.261 -21.332) 30.574 12.089 ( -28.612 -16.250 26.758) 42.411 12.510 ( 23.759 9.861 -21.304) 33.400 13.251 ( 17.203 -3.036 9.599) 19.932 14.074 ( -0.947 -10.712 1.556) 10.865 15.825 ( -4.558 1.953 1.539) 5.192 16.379 ( -1.808 1.593 -1.883) 3.058 16.565 ( -4.121 -0.438 1.990) 4.597 16.690 ( 3.236 -1.153 1.971) 3.960 16.893 ( 1.204 -0.655 -0.827) 1.601 17.252 ( 11.601 0.220 -6.411) 13.256 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.000 7.467 33.746) 34.563 2.038 ( -0.000 13.178 27.342) 30.352 4.392 ( -0.000 33.051 23.728) 40.686 4.556 ( 0.000 -6.731 -3.428) 7.554 5.168 ( 0.000 -22.298 -12.106) 25.372 5.297 ( 0.000 -7.412 -26.653) 27.664 5.784 ( -0.000 -23.104 5.585) 23.769 6.640 ( 0.000 1.907 -5.587) 5.903 6.646 ( 0.000 -6.689 -9.404) 11.540 6.972 ( 0.000 6.995 -2.523) 7.436 7.290 ( -0.000 14.088 3.182) 14.443 8.453 ( 0.000 9.939 -0.508) 9.952 9.817 ( -0.000 -11.492 11.817) 16.483 10.605 ( -0.000 -2.495 6.004) 6.502 11.674 ( 0.000 -29.679 -24.608) 38.554 13.091 ( -0.000 31.567 23.961) 39.631 13.430 ( 0.000 -0.562 -4.945) 4.977 14.413 ( 0.000 12.508 -1.066) 12.554 15.811 ( -0.000 2.073 3.422) 4.001 16.319 ( -0.000 -1.073 1.629) 1.951 16.628 ( -0.000 2.951 2.651) 3.967 16.758 ( 0.000 -8.839 -6.801) 11.153 16.866 ( 0.000 -1.354 -1.801) 2.253 16.985 ( 0.000 -1.296 -7.047) 7.166 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.455 14.009 24.395) 28.482 2.483 ( 16.181 8.282 30.603) 35.594 4.420 ( -5.888 -8.564 -5.496) 11.757 4.690 ( -2.958 -3.993 -8.577) 9.913 4.945 ( -0.534 9.974 7.346) 12.399 5.040 ( 5.079 -19.782 -19.506) 28.242 5.645 ( -3.279 -8.927 6.376) 11.450 6.495 ( -4.341 -4.888 -8.032) 10.356 6.601 ( -2.190 1.122 -6.927) 7.351 7.049 ( 1.273 7.527 0.143) 7.635 7.453 ( 0.543 12.707 4.885) 13.624 8.476 ( -7.263 8.431 -0.165) 11.129 9.871 ( 10.073 -7.323 6.797) 14.188 10.669 ( 7.358 -6.724 5.255) 11.268 11.249 ( -0.662 -25.492 -19.131) 31.879 13.323 ( -7.625 4.458 -3.352) 9.447 13.543 ( 1.247 23.675 18.722) 30.209 14.481 ( -5.809 11.337 0.532) 12.750 15.870 ( 2.124 2.547 2.678) 4.263 16.336 ( 1.842 -1.304 2.237) 3.178 16.578 ( -2.619 -9.323 -9.169) 13.336 16.684 ( 1.365 1.298 1.243) 2.257 16.832 ( -1.274 -1.037 -1.858) 2.480 16.944 ( -1.087 0.227 -3.164) 3.353 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( 10.587 17.710 12.837) 24.301 3.073 ( 22.647 3.251 32.097) 39.417 4.028 ( -16.277 -17.985 -12.723) 27.391 4.437 ( 1.090 -15.212 -15.338) 21.629 4.884 ( 8.018 -12.750 -12.604) 19.640 5.191 ( -3.486 13.596 12.267) 18.641 5.559 ( -3.868 0.901 3.495) 5.291 6.309 ( -7.145 -1.984 -9.196) 11.813 6.506 ( -5.887 -0.985 -0.322) 5.978 7.155 ( 2.976 7.149 -1.814) 7.953 7.614 ( 0.759 9.330 7.841) 12.211 8.395 ( -9.899 6.124 0.353) 11.645 10.075 ( 16.075 0.457 -4.112) 16.599 10.625 ( 3.195 -22.211 -15.362) 27.195 11.078 ( 8.951 -10.564 11.392) 17.931 13.158 ( -11.533 3.781 -7.723) 14.386 13.882 ( -0.879 20.271 17.279) 26.650 14.438 ( -12.069 8.125 3.539) 14.974 15.968 ( 4.631 3.776 0.331) 5.984 16.371 ( -0.920 -5.568 -4.954) 7.510 16.385 ( 1.210 -5.706 -1.243) 5.964 16.731 ( 1.267 1.098 1.010) 1.958 16.783 ( -2.216 -0.119 -1.324) 2.584 16.906 ( -2.022 0.338 -1.441) 2.506 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 12.657 13.776 3.634) 19.057 3.452 ( -13.052 -14.307 -8.648) 21.209 3.716 ( 20.389 2.244 27.526) 34.328 4.248 ( 4.523 -14.712 -13.380) 20.394 4.856 ( 6.434 -7.202 -10.282) 14.106 5.142 ( -12.557 1.208 3.058) 12.980 5.621 ( -1.772 9.191 6.715) 11.520 6.102 ( -7.766 1.721 -16.110) 17.967 6.404 ( -6.696 -3.552 12.259) 14.413 7.257 ( 3.728 6.153 -5.830) 9.260 7.753 ( 0.625 4.504 10.879) 11.791 8.278 ( -9.890 4.075 0.364) 10.703 10.265 ( 0.417 -13.874 -14.511) 20.080 10.402 ( 17.786 1.485 -16.646) 24.406 11.338 ( 17.725 -10.837 23.561) 31.413 12.915 ( -15.496 5.422 -10.823) 19.664 14.114 ( -2.098 12.555 13.094) 18.262 14.270 ( -18.342 4.238 6.829) 20.026 16.101 ( 6.231 4.208 -2.812) 8.028 16.203 ( -1.810 -5.591 -6.997) 9.137 16.438 ( 4.115 -3.489 4.521) 7.039 16.705 ( -2.978 -0.473 -1.803) 3.513 16.795 ( 1.405 1.531 1.295) 2.448 16.864 ( -2.567 0.208 -0.376) 2.602 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -19.954 -12.414 -3.217) 23.719 3.537 ( 18.614 16.184 -1.892) 24.738 4.096 ( 6.093 -6.864 -13.275) 16.139 4.284 ( 13.958 1.799 16.166) 21.434 4.756 ( 1.563 -9.289 -9.144) 13.128 4.999 ( -8.619 -1.351 14.021) 16.513 5.660 ( -4.331 4.856 -3.138) 7.224 5.900 ( -6.098 3.657 -15.432) 16.991 6.379 ( -3.116 -3.943 18.819) 19.479 7.324 ( 3.362 4.836 -10.388) 11.941 7.853 ( 0.343 -0.761 12.918) 12.945 8.143 ( -9.557 2.101 -0.071) 9.786 9.996 ( -3.786 -10.786 -8.517) 14.255 10.748 ( 24.259 11.679 -22.465) 35.066 11.714 ( 21.461 -12.778 26.325) 36.288 12.606 ( -18.961 7.182 -14.201) 24.754 13.969 ( -22.821 -2.982 10.434) 25.269 14.231 ( -3.428 6.296 8.038) 10.770 16.065 ( -2.469 -2.606 -3.350) 4.910 16.279 ( 8.296 4.935 -4.807) 10.783 16.510 ( 5.054 -3.422 4.554) 7.615 16.635 ( -3.165 -0.344 -1.830) 3.672 16.819 ( -2.740 0.033 0.356) 2.763 16.840 ( 1.529 0.769 1.008) 1.986 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -22.642 -3.082 6.043) 23.637 3.896 ( -8.234 2.904 -3.534) 9.419 4.089 ( 18.456 11.893 -18.080) 28.442 4.309 ( -1.496 2.388 -14.743) 15.010 4.896 ( -11.467 -6.814 18.588) 22.878 4.981 ( 22.446 -11.505 23.832) 34.701 5.546 ( -2.527 3.161 -19.138) 19.562 5.822 ( -0.487 4.217 -5.734) 7.134 6.433 ( -0.070 -3.900 18.471) 18.878 7.335 ( 2.246 3.021 -14.345) 14.831 7.898 ( -2.131 -4.266 10.626) 11.647 7.998 ( -7.229 -0.840 1.482) 7.427 9.860 ( -2.958 0.459 1.247) 3.243 11.163 ( 26.646 14.057 -26.152) 39.894 12.123 ( 20.262 -11.772 23.215) 32.985 12.243 ( -18.960 7.619 -15.660) 25.744 13.563 ( -26.671 -8.364 14.637) 31.552 14.230 ( -2.991 -2.106 3.047) 4.761 16.003 ( -2.939 0.811 0.711) 3.131 16.424 ( 6.764 2.911 -3.918) 8.341 16.542 ( -2.949 1.097 -2.405) 3.961 16.636 ( 7.008 -2.367 2.017) 7.667 16.779 ( -1.845 -0.351 0.573) 1.963 16.871 ( 1.305 -0.414 0.530) 1.468 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -21.320 10.426 18.002) 29.788 3.501 ( -29.635 11.550 -19.776) 37.453 4.206 ( -6.027 -4.872 11.279) 13.685 4.454 ( 9.755 -6.019 -12.478) 16.944 4.833 ( 8.960 6.654 6.554) 12.943 5.257 ( 6.015 -10.440 4.143) 12.741 5.566 ( 15.241 1.968 -5.368) 16.279 5.872 ( 6.563 2.469 -6.367) 9.472 6.515 ( 0.809 -3.401 17.528) 17.873 7.287 ( 1.271 0.765 -16.822) 16.887 7.759 ( -10.709 -2.219 -1.654) 11.061 7.966 ( 0.951 -7.449 10.622) 13.009 9.930 ( -0.754 12.339 11.159) 16.654 11.602 ( 26.496 14.601 -26.536) 40.241 11.822 ( -22.330 9.780 -21.989) 32.830 12.546 ( 22.156 -11.978 21.668) 33.225 13.090 ( -27.986 -12.609 19.825) 36.541 14.130 ( -2.280 -9.850 -1.324) 10.197 15.980 ( -4.050 3.298 3.528) 6.303 16.465 ( -2.857 1.314 -2.597) 4.079 16.540 ( 4.686 1.250 -1.784) 5.167 16.694 ( -2.015 -0.533 1.704) 2.692 16.820 ( 7.941 -0.223 -3.205) 8.566 16.888 ( 3.179 -2.436 0.099) 4.007 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -16.934 24.286 28.059) 40.791 2.954 ( -34.259 15.134 -20.905) 42.892 3.892 ( -29.147 -16.217 27.446) 43.195 4.494 ( 10.674 -0.695 -8.294) 13.536 5.173 ( 0.296 -4.867 -1.117) 5.002 5.293 ( 28.640 2.245 -10.976) 30.753 5.832 ( 10.951 5.454 -5.479) 13.405 6.025 ( 17.027 -6.721 -2.164) 18.433 6.610 ( 0.511 -1.257 17.407) 17.460 7.197 ( 1.231 -1.188 -17.927) 18.009 7.515 ( -12.174 -2.831 -4.875) 13.416 7.973 ( 2.061 -8.595 9.244) 12.790 10.198 ( 1.176 21.413 18.629) 28.407 11.382 ( -23.480 11.501 -24.418) 35.774 12.038 ( 26.546 11.157 -24.680) 37.924 12.554 ( -25.218 -17.583 22.714) 38.224 12.974 ( 17.361 -5.907 16.640) 24.763 13.950 ( -1.137 -16.578 -3.868) 17.062 15.959 ( -5.665 4.176 3.916) 8.054 16.422 ( -2.168 2.607 -2.102) 3.989 16.619 ( 2.944 0.797 -0.271) 3.062 16.646 ( -2.370 -1.345 2.519) 3.711 16.856 ( 1.003 -1.587 -1.843) 2.630 17.000 ( 11.863 -2.406 -5.485) 13.290 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.000 11.711 32.390) 34.442 2.594 ( -0.000 10.239 22.529) 24.747 4.375 ( 0.000 -10.581 -7.985) 13.256 4.487 ( 0.000 -16.856 -11.709) 20.524 4.604 ( 0.000 -18.618 -26.625) 32.489 5.243 ( -0.000 18.848 17.278) 25.569 5.628 ( -0.000 -7.713 5.950) 9.741 6.438 ( 0.000 -2.868 -8.793) 9.249 6.601 ( 0.000 3.394 -7.243) 7.999 7.113 ( -0.000 5.989 1.751) 6.239 7.600 ( -0.000 12.120 3.940) 12.744 8.625 ( 0.000 8.489 -1.867) 8.692 9.747 ( -0.000 -10.334 11.893) 15.756 10.512 ( 0.000 -13.699 -7.157) 15.456 10.975 ( 0.000 -12.282 -6.547) 13.918 13.372 ( 0.000 0.412 -4.491) 4.510 13.886 ( -0.000 22.590 16.081) 27.729 14.647 ( 0.000 12.034 -0.909) 12.068 15.891 ( -0.000 1.634 3.238) 3.627 16.322 ( -0.000 -1.087 2.126) 2.388 16.435 ( 0.000 -10.227 -10.617) 14.741 16.699 ( -0.000 1.393 1.711) 2.206 16.825 ( 0.000 -0.620 -1.384) 1.517 16.943 ( 0.000 0.790 -2.205) 2.342 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.656 ( 0.580 13.596 20.205) 24.360 2.964 ( 15.541 4.119 26.249) 30.781 4.074 ( -13.343 -14.592 -14.956) 24.792 4.125 ( -0.198 -19.177 -12.894) 23.110 4.554 ( 11.089 -5.657 -10.688) 16.408 5.440 ( -5.254 6.976 9.432) 12.855 5.612 ( 1.718 0.673 5.672) 5.964 6.335 ( -3.929 -0.593 -9.118) 9.946 6.574 ( -2.627 2.551 -3.618) 5.148 7.181 ( 0.832 4.989 0.245) 5.064 7.734 ( 0.322 8.983 4.477) 10.042 8.612 ( -7.926 6.248 -1.988) 10.287 9.819 ( 10.705 -6.297 6.339) 13.944 10.298 ( 1.393 -17.576 -13.262) 22.062 10.946 ( 4.809 -4.310 7.723) 10.067 13.297 ( -6.131 1.700 -5.507) 8.414 14.156 ( -0.393 15.356 10.718) 18.730 14.699 ( -6.425 10.061 -0.353) 11.943 15.943 ( 2.362 1.752 1.791) 3.443 16.268 ( -1.193 -8.157 -8.610) 11.921 16.339 ( 1.494 -1.455 2.599) 3.332 16.726 ( 0.881 0.542 0.967) 1.416 16.804 ( -1.135 -0.022 -0.913) 1.457 16.930 ( -1.111 0.795 -1.493) 2.023 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 6.231 9.896 6.420) 13.341 3.412 ( 10.724 -3.836 14.398) 18.358 3.692 ( -5.983 -3.090 6.228) 9.172 3.900 ( 4.670 -18.092 -11.094) 21.731 4.627 ( 8.080 -0.991 -11.793) 14.330 5.366 ( -9.092 -0.398 7.025) 11.496 5.724 ( 1.451 4.568 3.564) 5.973 6.171 ( -8.196 2.336 -13.378) 15.862 6.529 ( -3.996 -0.739 5.713) 7.010 7.237 ( 1.447 4.275 -3.907) 5.969 7.836 ( 0.445 3.796 5.802) 6.947 8.486 ( -10.324 3.558 -1.737) 11.057 10.036 ( 16.772 0.775 -5.010) 17.521 10.091 ( -0.839 -10.558 -8.239) 13.418 11.113 ( 12.111 -7.326 16.422) 21.680 13.134 ( -11.227 3.703 -7.935) 14.238 14.296 ( -1.818 6.384 5.484) 8.610 14.616 ( -12.696 5.953 0.807) 14.046 16.030 ( 4.890 2.703 -1.010) 5.678 16.142 ( -1.284 -4.043 -4.883) 6.468 16.374 ( 2.651 -2.635 3.656) 5.229 16.732 ( -1.173 -0.076 -0.774) 1.407 16.793 ( 0.341 0.611 0.439) 0.826 16.903 ( -1.980 0.602 -0.763) 2.206 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.008 ( -10.720 -0.327 3.870) 11.402 3.372 ( 8.703 5.190 -11.925) 15.649 3.788 ( 8.879 -16.035 -2.837) 18.547 4.096 ( 19.583 2.909 27.541) 33.919 4.620 ( 1.161 -0.163 -17.173) 17.213 5.264 ( -10.068 1.405 13.054) 16.545 5.749 ( -2.805 0.552 -2.797) 4.000 5.951 ( -8.733 4.126 -17.973) 20.403 6.506 ( -3.432 -3.672 15.395) 16.195 7.261 ( 1.586 3.564 -9.679) 10.435 7.893 ( 0.554 -2.129 7.358) 7.679 8.321 ( -10.186 1.228 -2.184) 10.490 9.980 ( -2.857 0.016 0.712) 2.944 10.335 ( 20.820 7.281 -15.647) 27.043 11.400 ( 18.173 -11.879 22.316) 31.134 12.892 ( -15.726 5.933 -11.210) 20.204 14.269 ( -8.020 -2.681 2.618) 8.852 14.413 ( -13.189 0.300 0.583) 13.205 16.079 ( -1.555 1.108 -0.022) 1.909 16.158 ( 7.355 3.134 -4.082) 8.976 16.422 ( 3.807 -3.668 4.448) 6.908 16.685 ( -3.343 0.534 -1.471) 3.691 16.819 ( 1.588 -0.052 0.353) 1.627 16.866 ( -2.498 0.292 -0.090) 2.517 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -20.212 7.488 13.344) 25.351 3.594 ( 23.130 -0.826 -26.888) 35.478 3.857 ( 10.301 -5.008 8.588) 14.316 4.427 ( -9.664 5.921 -19.756) 22.776 4.638 ( 20.802 -4.980 27.084) 34.511 5.195 ( -11.069 0.677 16.831) 20.156 5.580 ( -9.640 1.235 -15.136) 17.988 5.795 ( -1.106 0.758 -14.163) 14.226 6.533 ( -1.808 -4.502 20.981) 21.535 7.237 ( 1.210 2.414 -15.787) 16.016 7.907 ( 0.711 -6.900 8.646) 11.085 8.136 ( -9.825 -0.916 -3.129) 10.351 10.015 ( -3.456 11.239 10.804) 15.968 10.695 ( 24.430 11.445 -23.271) 35.628 11.761 ( 22.005 -14.470 25.147) 36.414 12.578 ( -19.680 8.328 -15.302) 26.283 13.971 ( -21.720 -7.456 7.096) 24.035 14.229 ( -3.980 -8.850 -4.529) 10.709 16.087 ( -2.313 4.428 4.008) 6.405 16.298 ( 8.347 3.532 -6.067) 10.907 16.491 ( 5.645 -4.037 4.368) 8.200 16.617 ( -4.188 1.164 -2.127) 4.839 16.823 ( -2.777 -0.160 0.442) 2.816 16.841 ( 1.408 -1.024 -0.328) 1.772 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -19.546 17.953 22.790) 34.982 3.738 ( 9.201 -0.874 -20.963) 22.910 4.087 ( 6.653 5.283 -9.845) 13.004 4.191 ( 1.295 -1.974 -5.725) 6.193 4.951 ( -3.934 -10.644 20.228) 23.194 5.186 ( 2.035 0.913 21.142) 21.259 5.364 ( 0.117 1.467 -17.219) 17.282 5.730 ( 3.910 -0.237 -15.720) 16.201 6.609 ( -0.772 -3.255 22.870) 23.113 7.156 ( 0.825 0.364 -20.412) 20.432 7.878 ( -4.040 -6.649 5.417) 9.480 7.943 ( -5.001 -5.045 -0.754) 7.143 10.216 ( -2.303 20.642 19.210) 28.291 11.103 ( 26.887 12.925 -26.873) 40.151 12.151 ( 13.488 -9.745 16.699) 23.574 12.210 ( -12.960 6.121 -12.259) 18.861 13.528 ( -25.260 -11.957 13.106) 30.867 14.013 ( -2.396 -16.123 -8.046) 18.178 16.125 ( -3.677 6.261 6.574) 9.795 16.427 ( 7.003 2.786 -5.370) 9.254 16.541 ( -3.935 2.298 -3.130) 5.528 16.595 ( 8.270 -4.011 1.875) 9.380 16.774 ( -2.854 -0.775 0.767) 3.055 16.841 ( 0.945 -2.160 -0.952) 2.542 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -16.033 26.662 28.989) 42.524 3.497 ( -25.430 11.713 -17.718) 33.133 4.164 ( 16.732 0.657 -16.383) 23.426 4.262 ( -6.843 -10.945 13.988) 19.034 4.875 ( 6.106 -8.572 4.943) 11.627 5.139 ( -1.034 -2.605 -5.874) 6.509 5.611 ( 16.474 -1.788 11.497) 20.168 5.730 ( 7.574 0.491 -16.585) 18.239 6.716 ( -0.389 -0.520 20.601) 20.611 7.032 ( 1.187 -2.458 -21.056) 21.232 7.669 ( -11.582 -2.598 -4.200) 12.591 7.900 ( 2.204 -9.080 6.903) 11.617 10.563 ( -0.577 26.078 24.445) 35.749 11.520 ( 25.623 10.915 -26.927) 38.739 11.775 ( -23.014 13.780 -24.471) 36.309 12.545 ( 18.632 -13.388 19.394) 30.042 13.078 ( -22.013 -12.936 20.365) 32.659 13.739 ( -1.040 -21.792 -9.440) 23.772 16.148 ( -6.335 6.475 6.591) 11.202 16.476 ( -2.230 3.087 -2.695) 4.665 16.543 ( 5.314 1.885 -3.670) 6.727 16.696 ( 1.016 -1.767 1.672) 2.636 16.740 ( 5.653 -2.869 -2.872) 6.960 16.823 ( 1.145 -3.407 -0.977) 3.725 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( -0.000 -0.024 12.323) 12.323 2.969 ( -0.000 8.482 25.038) 26.435 3.791 ( 0.000 -18.942 -11.420) 22.118 4.101 ( 0.000 -4.679 -15.967) 16.639 4.341 ( 0.000 -2.300 -0.183) 2.307 5.562 ( -0.000 -4.746 4.320) 6.418 5.644 ( -0.000 6.601 6.335) 9.150 6.321 ( 0.000 1.327 -7.918) 8.028 6.602 ( 0.000 4.084 -5.047) 6.492 7.216 ( -0.000 2.786 0.162) 2.791 7.829 ( -0.000 6.209 2.357) 6.641 8.726 ( 0.000 5.586 -4.841) 7.392 9.695 ( -0.000 -9.002 10.466) 13.805 10.083 ( 0.000 -9.831 -7.880) 12.599 10.919 ( -0.000 -2.238 7.018) 7.366 13.333 ( 0.000 1.417 -4.903) 5.104 14.323 ( -0.000 8.823 3.417) 9.462 14.837 ( 0.000 8.246 -3.060) 8.795 15.943 ( -0.000 0.204 1.907) 1.918 16.168 ( 0.000 -4.642 -5.584) 7.262 16.330 ( -0.000 -1.141 2.464) 2.716 16.726 ( -0.000 0.022 0.729) 0.730 16.810 ( 0.000 0.170 -0.538) 0.564 16.940 ( 0.000 0.967 -1.204) 1.544 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 0.842 -1.450 3.348) 3.745 3.182 ( 11.541 -15.046 3.231) 19.236 3.724 ( 4.066 3.674 13.370) 14.449 3.871 ( -12.276 0.195 -4.925) 13.228 4.424 ( 8.223 0.925 -6.386) 10.452 5.514 ( -4.170 -2.194 7.085) 8.509 5.721 ( 2.004 -0.364 0.054) 2.038 6.249 ( -5.423 3.547 -9.604) 11.585 6.600 ( -1.579 2.616 -0.802) 3.159 7.233 ( 0.276 1.429 -2.255) 2.684 7.881 ( 0.156 1.449 1.625) 2.183 8.661 ( -7.962 2.826 -5.019) 9.828 9.768 ( 10.483 -5.313 3.752) 12.337 10.018 ( 0.845 0.166 0.825) 1.192 10.986 ( 5.553 -4.553 10.245) 12.511 13.268 ( -5.820 2.651 -6.098) 8.836 14.367 ( -0.988 0.980 -2.359) 2.739 14.813 ( -6.469 3.190 -5.418) 9.021 15.974 ( 2.815 -0.035 0.236) 2.825 16.122 ( -0.652 0.824 -0.818) 1.332 16.342 ( 1.050 -1.643 2.922) 3.513 16.733 ( 0.424 -0.179 0.154) 0.486 16.803 ( -0.673 0.287 -0.122) 0.742 16.934 ( -1.178 0.916 -0.717) 1.656 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 10.230 -6.572 -14.761) 19.124 3.190 ( 7.779 -14.503 4.338) 17.019 3.676 ( -9.599 1.175 4.308) 10.586 4.086 ( 10.032 11.871 26.449) 30.677 4.499 ( 3.899 4.248 -13.271) 14.470 5.480 ( -4.970 -0.994 12.180) 13.193 5.700 ( 1.268 -5.570 -6.415) 8.590 6.079 ( -11.123 5.993 -14.815) 19.472 6.602 ( -1.692 -0.357 7.654) 7.847 7.222 ( -0.090 0.999 -6.544) 6.620 7.884 ( 0.447 -3.989 2.371) 4.662 8.484 ( -10.214 0.105 -4.661) 11.228 9.956 ( 14.082 1.755 -6.193) 15.484 10.128 ( 2.006 10.544 8.733) 13.837 11.148 ( 12.215 -9.612 16.067) 22.355 13.114 ( -11.130 4.744 -8.638) 14.866 14.282 ( -2.136 -7.092 -6.404) 9.791 14.618 ( -12.252 -2.626 -5.786) 13.801 16.041 ( 5.675 0.308 -2.448) 6.188 16.148 ( -1.311 5.604 3.578) 6.777 16.368 ( 1.993 -2.374 3.505) 4.679 16.728 ( -1.298 0.550 -0.584) 1.526 16.798 ( 0.312 -0.399 0.038) 0.507 16.910 ( -2.134 0.672 -0.205) 2.247 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( 19.992 -8.363 -26.494) 34.227 3.236 ( -3.754 2.851 15.760) 16.450 3.648 ( 3.691 -4.700 10.388) 11.984 4.467 ( -2.604 4.867 -11.595) 12.842 4.554 ( 11.748 10.916 21.899) 27.143 5.455 ( -5.605 -2.963 13.461) 14.879 5.576 ( -2.369 -7.646 -9.706) 12.581 5.827 ( -12.628 8.022 -20.336) 25.246 6.638 ( -0.652 -2.562 15.889) 16.107 7.163 ( -1.211 0.982 -12.731) 12.826 7.855 ( 1.154 -8.337 4.423) 9.508 8.269 ( -10.236 -1.875 -5.055) 11.569 10.218 ( 14.201 10.139 -5.057) 18.167 10.372 ( 4.234 17.951 5.256) 19.178 11.412 ( 18.752 -14.240 21.936) 32.181 12.877 ( -16.047 7.302 -12.312) 21.503 14.082 ( -2.669 -14.531 -9.882) 17.774 14.288 ( -17.095 -7.554 -2.391) 18.842 16.139 ( 7.825 0.472 -4.872) 9.230 16.219 ( -1.965 7.972 6.058) 10.204 16.409 ( 3.174 -2.731 3.956) 5.760 16.692 ( -3.593 1.816 -0.967) 4.141 16.802 ( 1.169 -1.542 -0.614) 2.030 16.872 ( -2.747 0.203 0.261) 2.767 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 25.532 -4.508 -27.446) 37.756 3.310 ( -11.542 16.383 21.485) 29.381 3.823 ( 15.631 -10.049 12.736) 22.528 4.333 ( -11.075 7.618 -12.669) 18.471 4.951 ( 8.611 1.497 20.519) 22.303 5.312 ( -4.814 -12.018 -14.072) 19.121 5.426 ( -9.612 2.462 16.152) 18.956 5.613 ( -4.747 7.551 -22.311) 24.028 6.727 ( 0.707 -3.025 21.781) 22.001 7.040 ( -2.359 0.579 -19.490) 19.641 7.822 ( 2.014 -10.332 6.244) 12.240 8.038 ( -10.054 -2.994 -5.766) 11.971 10.581 ( 13.997 16.809 0.722) 21.886 10.677 ( 7.231 21.470 -1.446) 22.701 11.768 ( 22.925 -15.741 25.046) 37.425 12.560 ( -20.461 10.189 -17.268) 28.647 13.791 ( -2.074 -21.127 -13.701) 25.266 13.875 ( -20.893 -11.281 5.369) 24.344 16.254 ( 8.912 0.453 -6.217) 10.875 16.303 ( -2.485 8.308 6.753) 10.991 16.473 ( 4.499 -2.663 4.085) 6.635 16.632 ( -5.172 2.992 -1.814) 6.244 16.794 ( 0.974 -2.562 -1.318) 3.041 16.824 ( -3.062 -0.485 0.799) 3.201 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 24.942 0.847 -25.792) 35.889 3.437 ( -11.737 22.024 25.792) 35.889 4.090 ( -16.633 9.083 -13.170) 23.079 4.090 ( 16.183 -9.863 13.170) 23.079 4.997 ( -2.634 -13.903 -18.693) 23.445 4.997 ( -10.723 -9.232 18.693) 23.445 5.547 ( 3.188 6.400 -18.459) 19.796 5.547 ( 3.949 5.961 18.459) 19.796 6.862 ( -1.552 -0.696 -25.574) 25.630 6.862 ( 0.173 -1.693 25.574) 25.630 7.800 ( -9.256 -3.001 -6.630) 11.774 7.800 ( 2.029 -9.516 6.630) 11.774 11.019 ( 25.421 12.494 -27.368) 39.387 11.019 ( -1.891 28.262 27.368) 39.387 12.171 ( -23.499 13.010 -23.374) 35.606 12.171 ( 23.017 -13.846 23.374) 35.606 13.442 ( -0.636 -25.698 -15.082) 29.804 13.442 ( -21.937 -13.400 15.082) 29.804 16.371 ( 9.403 -0.111 -8.687) 12.802 16.371 ( -4.797 8.088 8.687) 12.802 16.558 ( -4.893 3.646 -3.504) 7.037 16.558 ( 5.604 -2.414 3.504) 7.037 16.769 ( 0.627 -3.379 -1.514) 3.755 16.769 ( -3.240 -1.147 1.514) 3.755 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 -23.563 -11.791) 26.348 2.923 ( -0.000 -10.266 4.781) 11.324 3.920 ( -0.000 15.062 25.499) 29.615 4.010 ( 0.000 11.897 -9.004) 14.920 4.333 ( -0.000 0.492 1.711) 1.781 5.558 ( -0.000 -1.991 5.047) 5.425 5.660 ( 0.000 -6.917 -3.292) 7.660 6.293 ( 0.000 5.235 -7.164) 8.873 6.630 ( 0.000 3.625 -3.138) 4.794 7.224 ( 0.000 -0.495 -1.730) 1.799 7.878 ( 0.000 -2.257 -0.859) 2.415 8.716 ( 0.000 1.626 -8.564) 8.717 9.648 ( -0.000 -7.399 8.351) 11.157 10.086 ( -0.000 10.028 8.266) 12.996 10.955 ( -0.000 -3.888 8.459) 9.310 13.309 ( 0.000 2.838 -5.688) 6.356 14.316 ( 0.000 -5.975 -9.076) 10.866 14.833 ( 0.000 -0.399 -10.052) 10.060 15.942 ( -0.000 -1.661 0.288) 1.686 16.173 ( -0.000 6.259 3.503) 7.172 16.337 ( -0.000 -1.390 2.722) 3.057 16.725 ( -0.000 -0.590 0.168) 0.613 16.813 ( 0.000 0.421 -0.072) 0.427 16.950 ( 0.000 1.058 -0.391) 1.128 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 6.366 -21.619 -16.136) 27.718 2.888 ( 9.544 -18.160 3.489) 20.810 4.013 ( -12.097 17.026 3.422) 21.164 4.280 ( 3.833 16.683 26.918) 31.900 4.421 ( 4.741 6.628 -5.336) 9.741 5.519 ( -0.363 -13.014 -5.044) 13.962 5.582 ( 1.118 -2.131 2.553) 3.508 6.241 ( -7.974 7.494 -9.217) 14.308 6.648 ( 0.154 2.308 0.218) 2.324 7.201 ( -0.545 -1.128 -2.126) 2.467 7.830 ( 0.327 -6.383 -1.143) 6.493 8.596 ( -7.273 -0.735 -8.560) 11.257 9.715 ( 9.538 -3.354 2.142) 10.335 10.320 ( 2.601 17.425 15.928) 23.750 11.009 ( 4.532 -5.467 11.241) 13.297 13.256 ( -5.748 4.227 -6.812) 9.865 14.139 ( -0.808 -13.894 -14.161) 19.855 14.696 ( -6.145 -3.037 -10.673) 12.685 15.947 ( 2.989 -2.011 -0.985) 3.735 16.275 ( -1.019 9.386 6.115) 11.248 16.346 ( 0.744 -1.508 2.855) 3.313 16.725 ( 0.720 -0.822 -0.298) 1.133 16.809 ( -0.942 0.556 0.054) 1.095 16.948 ( -1.353 1.070 0.032) 1.726 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( 15.195 -15.450 -22.562) 31.283 2.959 ( 18.360 -22.123 7.906) 29.817 4.013 ( -14.253 17.942 14.567) 27.153 4.508 ( -0.611 12.292 -10.305) 16.052 4.680 ( 5.440 14.458 24.723) 29.152 5.307 ( 1.351 -18.080 -13.262) 22.463 5.612 ( -0.133 -1.448 7.106) 7.254 6.063 ( -14.499 10.257 -12.587) 21.768 6.687 ( 1.071 0.443 4.636) 4.779 7.148 ( -2.649 -0.887 -3.564) 4.528 7.761 ( 1.348 -9.763 1.021) 9.909 8.380 ( -9.609 -2.563 -7.742) 12.603 9.914 ( 15.600 3.596 -8.324) 18.044 10.693 ( 3.018 23.516 21.902) 32.277 11.144 ( 10.130 -9.476 16.868) 21.839 13.113 ( -11.318 6.448 -9.380) 16.051 13.848 ( -1.243 -21.015 -18.080) 27.750 14.444 ( -11.628 -5.625 -7.047) 14.714 15.990 ( 5.622 -1.894 -2.906) 6.605 16.364 ( 1.195 -0.340 3.561) 3.772 16.389 ( -1.602 8.576 6.102) 10.647 16.728 ( 0.775 -0.596 -0.811) 1.270 16.793 ( -1.784 0.765 0.411) 1.985 16.926 ( -2.644 0.985 0.396) 2.849 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 24.298 -7.732 -27.857) 37.765 3.177 ( 23.688 -21.124 14.212) 34.776 4.062 ( -12.435 17.598 18.935) 28.685 4.484 ( -6.569 6.096 -10.691) 13.951 4.991 ( 1.951 2.388 12.220) 12.603 5.102 ( 2.776 -8.238 -8.323) 12.035 5.623 ( -2.667 1.664 5.968) 6.745 5.828 ( -16.549 12.465 -10.305) 23.140 6.746 ( 2.886 -0.614 1.463) 3.293 7.053 ( -5.458 -0.469 0.025) 5.478 7.704 ( 2.637 -11.519 3.807) 12.415 8.137 ( -9.773 -3.310 -7.480) 12.744 10.209 ( 20.239 9.748 -17.879) 28.711 11.122 ( -1.654 30.007 25.036) 39.115 11.391 ( 19.282 -15.283 23.045) 33.711 12.879 ( -16.736 8.776 -13.581) 23.272 13.474 ( -1.025 -25.691 -20.666) 32.987 14.112 ( -16.008 -8.876 -0.064) 18.304 16.062 ( 7.607 -1.912 -4.806) 9.199 16.409 ( 2.811 -1.091 3.030) 4.275 16.476 ( -2.158 7.958 5.462) 9.890 16.724 ( -0.035 -0.431 -1.300) 1.370 16.770 ( -3.153 1.934 1.576) 4.020 16.882 ( -3.653 0.568 0.587) 3.743 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -25.091 -10.857) 27.339 2.593 ( 0.000 -22.600 -3.549) 22.877 4.395 ( -0.000 2.818 2.328) 3.655 4.404 ( 0.000 31.477 1.024) 31.494 4.587 ( -0.000 17.978 25.876) 31.508 5.284 ( 0.000 -21.446 -11.884) 24.519 5.577 ( -0.000 -1.452 3.132) 3.452 6.354 ( 0.000 9.273 -6.245) 11.179 6.656 ( 0.000 2.663 -3.442) 4.352 7.189 ( -0.000 -2.102 1.786) 2.759 7.738 ( 0.000 -8.900 -2.685) 9.297 8.588 ( 0.000 -1.378 -11.980) 12.059 9.620 ( -0.000 -4.719 7.153) 8.569 10.552 ( -0.000 13.354 16.129) 20.939 11.043 ( -0.000 5.238 13.905) 14.859 13.309 ( 0.000 4.690 -6.132) 7.720 13.869 ( 0.000 -20.501 -19.901) 28.571 14.645 ( 0.000 -3.069 -12.572) 12.941 15.892 ( 0.000 -3.020 -0.473) 3.057 16.339 ( -0.000 -1.614 2.865) 3.288 16.432 ( -0.000 11.354 6.710) 13.188 16.700 ( 0.000 -1.815 -0.767) 1.970 16.827 ( -0.000 1.068 0.110) 1.073 16.976 ( -0.000 1.640 0.735) 1.797 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 7.613 -21.331 -13.779) 26.511 2.456 ( 14.291 -25.735 0.678) 29.444 4.391 ( -4.969 5.472 3.549) 8.199 4.689 ( -5.839 23.459 -2.635) 24.318 4.915 ( 2.446 11.843 13.787) 18.339 5.010 ( 1.879 -12.817 -2.493) 13.192 5.606 ( 2.094 -0.982 4.276) 4.862 6.325 ( -9.927 11.364 -7.300) 16.763 6.674 ( 1.807 1.514 -3.500) 4.220 7.177 ( -1.555 -1.786 4.648) 5.216 7.633 ( 1.223 -11.067 -1.497) 11.234 8.436 ( -6.215 -2.456 -11.585) 13.375 9.700 ( 8.517 -0.316 1.903) 8.733 10.782 ( 9.425 -1.602 14.934) 17.732 11.277 ( -1.729 21.605 21.752) 30.707 13.272 ( -5.920 5.992 -6.925) 10.904 13.500 ( -0.411 -25.824 -23.655) 35.023 14.488 ( -5.646 -4.077 -10.886) 12.923 15.881 ( 2.760 -3.106 -1.080) 4.293 16.347 ( 0.786 -1.611 2.751) 3.283 16.561 ( -2.172 9.667 5.097) 11.142 16.685 ( 1.255 -2.050 -1.306) 2.735 16.836 ( -0.566 1.794 0.720) 2.014 16.991 ( -1.864 2.971 2.050) 4.063 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 18.414 -12.679 -23.154) 32.186 2.594 ( 25.840 -25.280 12.591) 38.279 4.313 ( -1.746 -12.764 -16.472) 20.912 4.520 ( -7.695 -5.378 2.780) 9.791 5.068 ( -1.147 24.014 -3.604) 24.310 5.207 ( -3.105 9.386 21.066) 23.270 5.682 ( 1.907 4.136 6.260) 7.742 6.183 ( -15.075 13.300 -6.576) 21.151 6.682 ( 1.470 0.188 -7.573) 7.717 7.161 ( -3.397 -0.571 9.393) 10.005 7.555 ( 3.032 -12.290 2.094) 12.830 8.210 ( -8.645 -3.031 -10.186) 13.700 9.910 ( 14.310 6.740 -8.703) 18.054 11.045 ( 17.201 -11.850 19.481) 28.562 11.642 ( -2.999 29.710 25.419) 39.215 13.036 ( -3.922 -25.797 -21.497) 33.808 13.171 ( -8.252 4.665 -13.773) 16.720 14.246 ( -10.517 -6.418 -5.397) 13.451 15.908 ( 4.962 -2.884 -2.369) 6.209 16.372 ( 1.973 -1.233 2.538) 3.442 16.606 ( -2.202 4.489 1.453) 5.207 16.678 ( 0.556 -1.533 -1.861) 2.475 16.855 ( -0.892 2.166 2.069) 3.126 16.999 ( -4.528 6.112 4.112) 8.647 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 0.000 -24.408 -2.972) 24.588 2.037 ( 0.000 -26.863 -4.531) 27.243 4.346 ( 0.000 -17.713 -19.791) 26.560 4.663 ( -0.000 -11.217 0.421) 11.225 5.097 ( 0.000 32.079 -3.979) 32.325 5.245 ( -0.000 15.368 24.133) 28.611 5.631 ( -0.000 4.873 8.839) 10.093 6.506 ( 0.000 13.212 -5.155) 14.182 6.626 ( 0.000 0.316 -6.962) 6.969 7.219 ( -0.000 -1.382 9.699) 9.797 7.492 ( 0.000 -12.137 -2.633) 12.420 8.389 ( 0.000 -1.955 -14.040) 14.175 9.650 ( -0.000 -1.279 7.732) 7.837 10.725 ( -0.000 -6.683 10.937) 12.817 11.699 ( -0.000 29.054 24.845) 38.229 13.070 ( 0.000 -29.869 -27.126) 40.348 13.349 ( 0.000 6.793 -5.610) 8.811 14.428 ( 0.000 -3.316 -12.048) 12.496 15.822 ( -0.000 -3.455 -0.179) 3.460 16.341 ( -0.000 -1.630 2.758) 3.204 16.632 ( 0.000 -3.286 -2.122) 3.912 16.697 ( -0.000 7.314 2.158) 7.626 16.858 ( -0.000 1.861 0.201) 1.871 17.075 ( -0.000 6.398 5.133) 8.203 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 6.120 -19.690 -10.771) 23.263 1.977 ( 22.880 -26.735 7.995) 36.086 3.894 ( -0.237 -35.923 -29.044) 46.196 4.650 ( -2.864 3.595 6.589) 8.034 5.262 ( -1.825 12.693 -7.546) 14.879 5.538 ( -0.243 17.009 19.443) 25.834 5.815 ( -1.498 17.644 12.653) 21.763 6.495 ( -9.096 12.403 -6.591) 16.734 6.617 ( 0.318 1.397 -6.750) 6.900 7.258 ( -1.941 -1.482 9.680) 9.983 7.393 ( 3.558 -10.895 2.522) 11.736 8.237 ( -5.332 -1.795 -13.156) 14.308 9.756 ( 7.062 2.840 2.849) 8.127 10.805 ( 9.960 -9.684 14.295) 19.933 12.130 ( -1.536 29.493 24.651) 38.470 12.587 ( -0.280 -32.369 -28.413) 43.071 13.339 ( -5.845 8.785 -6.276) 12.277 14.281 ( -5.042 -4.043 -9.306) 11.330 15.807 ( 2.298 -3.265 -0.436) 4.016 16.350 ( 0.916 -1.385 2.600) 3.085 16.590 ( 0.932 -3.547 -2.338) 4.349 16.725 ( -2.672 3.395 -1.331) 4.521 16.884 ( 0.234 1.758 0.522) 1.849 17.175 ( -2.277 9.548 7.136) 12.135 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -0.000 -24.698 9.780) 26.564 1.472 ( -0.000 -27.355 0.843) 27.368 3.321 ( 0.000 -41.900 -31.287) 52.292 4.762 ( -0.000 5.601 7.132) 9.068 5.298 ( 0.000 5.416 -11.265) 12.499 5.786 ( -0.000 11.839 19.083) 22.457 6.152 ( -0.000 25.980 9.923) 27.811 6.505 ( 0.000 -2.001 -8.235) 8.475 6.748 ( 0.000 16.680 -3.383) 17.020 7.209 ( 0.000 -13.058 -2.427) 13.282 7.381 ( -0.000 1.845 15.330) 15.440 8.189 ( 0.000 -0.182 -14.040) 14.042 9.754 ( -0.000 0.807 9.271) 9.306 10.708 ( -0.000 -8.179 11.713) 14.286 12.087 ( 0.000 -32.709 -29.564) 44.090 12.567 ( -0.000 26.648 21.875) 34.476 13.449 ( 0.000 9.341 -3.192) 9.872 14.229 ( 0.000 -2.632 -10.470) 10.795 15.757 ( -0.000 -3.242 0.412) 3.268 16.345 ( -0.000 -1.416 2.864) 3.195 16.526 ( 0.000 -3.944 -2.948) 4.925 16.761 ( 0.000 1.460 -2.986) 3.324 16.902 ( -0.000 2.339 0.131) 2.343 17.340 ( -0.000 10.390 7.614) 12.881 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -0.000 0.000 35.206) 35.206 1.275 ( -0.000 0.000 35.206) 35.206 1.680 ( -0.000 0.000 46.723) 46.723 5.155 ( 0.000 -0.000 -4.352) 4.352 5.155 ( 0.000 -0.000 -4.352) 4.352 6.269 ( -0.000 0.000 1.860) 1.860 6.269 ( -0.000 0.000 1.860) 1.860 6.641 ( 0.000 -0.000 -1.631) 1.631 6.985 ( 0.000 -0.000 -10.467) 10.467 7.279 ( 0.000 -0.000 -13.074) 13.074 7.279 ( 0.000 -0.000 -13.074) 13.074 8.035 ( 0.000 -0.000 -10.378) 10.378 10.099 ( -0.000 0.000 18.166) 18.166 10.895 ( -0.000 0.000 15.745) 15.745 10.895 ( -0.000 0.000 15.745) 15.745 13.213 ( 0.000 -0.000 -11.838) 11.838 13.815 ( 0.000 -0.000 -10.354) 10.354 13.815 ( 0.000 -0.000 -10.354) 10.354 15.682 ( -0.000 0.000 2.600) 2.600 16.381 ( -0.000 0.000 2.334) 2.334 16.381 ( -0.000 0.000 2.334) 2.334 16.967 ( 0.000 -0.000 -1.989) 1.989 16.967 ( 0.000 -0.000 -1.989) 1.989 17.367 ( 0.000 -0.000 -9.252) 9.252 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -7.653 -4.418 33.461) 34.608 1.809 ( 16.825 9.714 33.163) 38.435 2.286 ( 19.559 11.292 44.075) 49.524 4.982 ( -5.913 -3.414 -6.637) 9.523 5.217 ( 1.211 0.699 -3.760) 4.012 6.135 ( -6.047 -3.491 -1.340) 7.110 6.388 ( 5.134 2.964 0.141) 5.930 6.733 ( 6.720 3.880 2.840) 8.263 6.826 ( -10.123 -5.845 -9.681) 15.178 7.058 ( -5.686 -3.283 -20.409) 21.439 7.161 ( -5.840 -3.371 -10.101) 12.145 8.026 ( 3.266 1.886 -8.342) 9.154 10.129 ( -4.513 -2.606 11.791) 12.891 10.882 ( 1.151 0.665 17.861) 17.910 11.331 ( 15.525 8.963 21.749) 28.185 13.038 ( -7.569 -4.370 -15.000) 17.361 13.553 ( -7.904 -4.563 -15.645) 18.113 13.934 ( 6.083 3.512 -5.222) 8.752 15.711 ( 1.065 0.615 3.017) 3.258 16.372 ( -0.215 -0.124 2.232) 2.246 16.443 ( 2.250 1.299 2.932) 3.917 16.916 ( -2.984 -1.723 0.275) 3.456 16.939 ( -1.251 -0.722 -2.278) 2.698 17.298 ( -1.057 -0.611 -12.730) 12.788 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 11.309 6.529 19.275) 23.282 2.424 ( 19.559 11.293 30.688) 38.103 3.017 ( 20.605 11.897 42.874) 49.034 4.809 ( -5.654 -3.264 -6.945) 9.532 5.161 ( -3.733 -2.155 -4.577) 6.287 5.979 ( -6.059 -3.498 -4.533) 8.336 6.390 ( -19.447 -11.228 -15.453) 27.259 6.521 ( 6.909 3.989 -6.413) 10.236 6.840 ( -3.277 -1.892 -21.138) 21.474 6.882 ( -5.630 -3.250 2.384) 6.924 6.970 ( 2.192 1.266 5.332) 5.902 8.047 ( 1.671 0.965 -4.502) 4.897 10.114 ( 1.622 0.937 -1.698) 2.528 11.098 ( 5.513 3.183 23.644) 24.486 11.840 ( 15.992 9.233 24.691) 30.833 12.706 ( -12.128 -7.002 -17.865) 22.699 13.268 ( -7.620 -4.399 -19.277) 21.190 14.011 ( 1.304 0.753 1.929) 2.448 15.768 ( 2.597 1.499 2.340) 3.803 16.401 ( 1.458 0.842 2.807) 3.274 16.513 ( 2.262 1.306 2.700) 3.757 16.851 ( -3.283 -1.895 1.218) 3.981 16.884 ( -2.242 -1.294 -2.481) 3.586 17.155 ( -3.950 -2.280 -14.094) 14.814 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 20.844 12.034 7.273) 25.143 3.058 ( 19.990 11.541 27.554) 35.945 3.731 ( 19.092 11.023 40.942) 46.500 4.631 ( -6.874 -3.969 -6.190) 10.066 4.990 ( -8.101 -4.677 -8.281) 12.492 5.750 ( -16.411 -9.475 -10.770) 21.796 5.878 ( -9.002 -5.197 -16.919) 19.857 6.423 ( -12.188 -7.037 -2.804) 14.351 6.619 ( -5.518 -3.186 -19.059) 20.096 6.864 ( 7.902 4.562 -0.491) 9.137 7.178 ( 6.065 3.502 14.558) 16.155 8.039 ( -0.760 -0.439 -1.562) 1.792 10.204 ( 10.232 5.907 -12.740) 17.375 11.396 ( 7.009 4.047 26.138) 27.362 12.166 ( -8.339 -4.814 -11.952) 15.348 12.456 ( 7.566 4.368 17.734) 19.769 12.969 ( -7.738 -4.468 -21.220) 23.025 14.009 ( -4.596 -2.653 9.401) 10.795 15.862 ( 4.977 2.874 0.536) 5.772 16.470 ( 2.655 1.533 4.098) 5.118 16.574 ( 1.705 0.984 1.458) 2.450 16.765 ( -4.555 -2.630 -1.878) 5.585 16.810 ( -2.748 -1.587 -2.735) 4.189 16.974 ( -4.534 -2.618 -9.828) 11.135 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 25.590 14.775 0.511) 29.554 3.643 ( 16.918 9.768 21.549) 29.086 4.354 ( 12.661 7.310 32.642) 35.766 4.375 ( -12.918 -7.458 -8.637) 17.237 4.688 ( -11.325 -6.538 -9.168) 15.970 5.258 ( -13.952 -8.055 -13.240) 20.853 5.699 ( -2.810 -1.622 -11.500) 11.949 6.147 ( -10.793 -6.232 6.016) 13.839 6.354 ( -7.832 -4.522 -17.385) 19.597 7.077 ( 10.708 6.183 -4.280) 13.085 7.400 ( 4.331 2.500 18.718) 19.374 7.992 ( -3.002 -1.733 0.359) 3.485 10.419 ( 17.364 10.025 -20.227) 28.481 11.693 ( -17.175 -9.916 -23.927) 31.078 11.728 ( 8.128 4.693 24.578) 26.309 12.657 ( -8.140 -4.699 -20.829) 22.852 12.887 ( 11.476 6.626 27.904) 30.891 13.918 ( -10.190 -5.883 16.331) 20.128 16.005 ( 7.873 4.546 -1.628) 9.236 16.542 ( -5.184 -2.993 -8.501) 10.397 16.565 ( 2.833 1.635 5.401) 6.314 16.673 ( -0.191 -0.110 0.880) 0.907 16.731 ( -2.470 -1.426 -2.951) 4.104 16.854 ( -3.284 -1.896 -1.587) 4.111 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 27.595 15.932 -1.773) 31.914 3.785 ( -18.357 -10.599 -15.645) 26.346 4.128 ( -20.156 -11.637 -16.069) 28.283 4.156 ( 5.454 3.149 9.876) 11.712 4.932 ( 11.137 6.430 29.114) 31.828 5.056 ( -0.928 -0.536 1.270) 1.662 5.591 ( -1.380 -0.796 -6.498) 6.690 6.043 ( -2.680 -1.548 10.342) 10.795 6.060 ( -7.878 -4.548 -18.498) 20.613 7.273 ( 8.953 5.169 -6.140) 12.024 7.601 ( 2.433 1.405 21.635) 21.817 7.908 ( -4.940 -2.852 1.564) 5.915 10.736 ( 22.227 12.832 -24.625) 35.568 11.145 ( -17.238 -9.952 -24.915) 31.890 12.015 ( 4.339 2.505 7.548) 9.060 12.392 ( -3.735 -2.157 -6.282) 7.621 13.249 ( 3.863 2.230 26.576) 26.948 13.774 ( -11.211 -6.472 22.212) 25.709 16.197 ( 10.191 5.884 -3.416) 12.253 16.329 ( -7.028 -4.057 -9.989) 12.870 16.618 ( -1.454 -0.840 -0.439) 1.736 16.705 ( 1.303 0.752 1.542) 2.154 16.707 ( 2.179 1.258 3.371) 4.207 16.784 ( -3.004 -1.734 1.461) 3.763 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( -24.591 -14.198 -23.488) 36.851 3.372 ( -15.500 -8.949 -7.819) 19.532 3.785 ( 20.194 11.659 -10.291) 25.488 4.280 ( -1.393 -0.804 8.610) 8.759 5.086 ( -3.243 -1.872 4.671) 5.987 5.289 ( 7.200 4.157 19.120) 20.850 5.622 ( 5.716 3.300 8.404) 10.686 5.805 ( -1.538 -0.888 -25.033) 25.096 6.134 ( 3.622 2.091 12.798) 13.464 7.401 ( 5.989 3.457 -7.901) 10.500 7.777 ( 1.043 0.602 23.004) 23.036 7.788 ( -6.650 -3.839 2.404) 8.046 10.622 ( -15.006 -8.664 -24.359) 29.893 11.103 ( 22.486 12.982 -26.309) 36.964 11.877 ( -5.851 -3.378 -20.948) 22.011 12.562 ( 9.204 5.314 18.774) 21.573 13.260 ( -16.686 -9.633 26.577) 32.826 13.810 ( 1.530 0.883 23.981) 24.046 16.122 ( -6.198 -3.578 -7.511) 10.375 16.414 ( 10.384 5.995 -4.197) 12.704 16.554 ( -2.240 -1.293 -3.517) 4.365 16.708 ( -2.578 -1.488 1.485) 3.327 16.763 ( 0.911 0.526 2.016) 2.274 16.814 ( 4.054 2.340 5.542) 7.255 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -24.128 -13.930 -23.245) 36.284 2.746 ( -26.640 -15.381 -12.068) 33.044 4.207 ( -12.317 -7.111 16.704) 21.938 4.391 ( 28.200 16.281 -0.250) 32.564 4.915 ( -9.944 -5.741 -0.213) 11.484 5.525 ( 7.355 4.247 7.505) 11.334 5.686 ( 5.962 3.442 -27.939) 28.774 5.950 ( 13.977 8.069 13.005) 20.727 6.316 ( 4.349 2.511 12.854) 13.800 7.449 ( 3.190 1.842 -10.003) 10.659 7.633 ( -8.392 -4.845 2.974) 10.136 7.934 ( 0.576 0.333 22.377) 22.387 10.183 ( -10.660 -6.154 -21.983) 25.195 11.261 ( -0.088 -0.051 -22.749) 22.749 11.798 ( 16.211 9.359 -24.234) 30.621 12.899 ( 10.404 6.007 15.298) 19.452 12.947 ( -24.282 -14.019 29.086) 40.400 14.011 ( 2.702 1.560 20.807) 21.040 15.958 ( -4.961 -2.864 -4.553) 7.318 16.478 ( -2.148 -1.240 -4.158) 4.841 16.598 ( 7.046 4.068 -2.445) 8.496 16.649 ( -3.354 -1.937 2.326) 4.518 16.806 ( 1.761 1.017 1.183) 2.352 16.963 ( 7.056 4.074 2.349) 8.479 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -23.075 -13.322 -19.385) 32.950 2.076 ( -26.125 -15.083 -8.635) 31.378 3.884 ( -27.918 -16.118 27.574) 42.421 4.755 ( -1.112 -0.642 -7.000) 7.117 4.971 ( 18.933 10.931 8.200) 23.349 5.699 ( 9.114 5.262 -24.919) 27.050 5.766 ( 14.270 8.239 -4.523) 17.087 6.363 ( 15.402 8.893 9.727) 20.271 6.457 ( 1.271 0.734 10.777) 10.876 7.432 ( 1.667 0.963 -12.635) 12.781 7.440 ( -10.208 -5.894 3.017) 12.168 8.077 ( 0.577 0.333 19.529) 19.540 9.883 ( -4.899 -2.828 -17.092) 18.003 10.990 ( -8.935 -5.159 -17.713) 20.499 12.157 ( 24.787 14.311 -24.383) 37.600 12.539 ( -27.274 -15.747 30.242) 43.662 13.206 ( 9.700 5.600 9.517) 14.698 14.164 ( 0.568 0.328 16.337) 16.350 15.839 ( -3.800 -2.194 -2.095) 4.862 16.405 ( -1.977 -1.142 -4.055) 4.654 16.587 ( -3.449 -1.991 2.735) 4.831 16.705 ( 3.041 1.756 0.744) 3.590 16.855 ( 1.996 1.153 0.554) 2.371 17.156 ( 9.598 5.541 -2.972) 11.474 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -0.000 -1.824 35.693) 35.739 1.621 ( -0.000 -10.543 39.275) 40.665 2.722 ( -0.000 36.333 40.032) 54.062 4.910 ( 0.000 -9.194 -6.738) 11.399 5.236 ( 0.000 7.607 -7.704) 10.826 6.029 ( 0.000 -16.950 -3.204) 17.250 6.451 ( -0.000 6.866 3.904) 7.898 6.754 ( -0.000 10.487 1.663) 10.618 6.799 ( 0.000 -6.001 -9.696) 11.403 6.973 ( 0.000 -11.972 -18.746) 22.243 7.007 ( 0.000 -6.820 -14.184) 15.739 8.018 ( 0.000 11.150 -9.378) 14.570 10.214 ( -0.000 -10.700 18.042) 20.976 10.818 ( -0.000 -12.229 14.524) 18.987 11.616 ( -0.000 31.550 23.825) 39.535 12.872 ( 0.000 -18.025 -18.604) 25.904 13.512 ( 0.000 -3.485 -12.592) 13.065 13.917 ( 0.000 13.086 -9.087) 15.931 15.731 ( -0.000 0.714 4.070) 4.133 16.371 ( -0.000 -2.052 2.595) 3.308 16.472 ( -0.000 3.444 3.300) 4.770 16.919 ( 0.000 -1.553 -1.054) 1.877 16.930 ( 0.000 -0.902 -2.519) 2.675 17.212 ( 0.000 -2.806 -13.162) 13.458 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -6.312 2.564 32.600) 33.305 2.187 ( 26.466 -4.608 36.301) 45.161 3.358 ( 4.445 34.927 37.355) 51.333 4.767 ( -1.787 -7.673 -6.650) 10.309 5.204 ( -4.363 3.525 -10.749) 12.125 5.850 ( 2.995 -18.055 -5.924) 19.236 6.423 ( -11.904 -16.467 -9.870) 22.589 6.541 ( -4.107 4.472 -6.194) 8.674 6.767 ( -2.842 2.207 -17.236) 17.608 6.887 ( 0.346 -9.085 -6.450) 11.148 6.948 ( 6.355 9.114 5.459) 12.380 8.074 ( -1.520 11.394 -7.066) 13.493 10.139 ( -4.934 -8.212 9.955) 13.816 10.945 ( 14.841 -12.614 19.302) 27.421 12.105 ( 1.475 32.164 24.693) 40.576 12.514 ( -1.577 -24.423 -21.506) 32.580 13.336 ( -9.383 2.577 -14.163) 17.184 14.026 ( 2.216 10.807 -4.791) 12.027 15.772 ( 0.844 1.131 4.073) 4.311 16.382 ( 1.701 -1.682 3.039) 3.867 16.534 ( 0.643 3.363 3.187) 4.678 16.880 ( -2.137 -2.094 -0.729) 3.079 16.891 ( -1.440 -0.868 -2.550) 3.054 17.080 ( -1.303 -4.139 -14.277) 14.922 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 7.037 9.981 21.731) 24.928 2.833 ( 27.389 -2.129 33.430) 43.269 3.993 ( 6.418 28.995 34.097) 45.216 4.616 ( -3.314 -7.365 -5.581) 9.817 5.024 ( -7.250 -3.740 -13.783) 16.017 5.691 ( 3.375 -16.427 -10.092) 19.573 5.875 ( -18.462 -15.714 -15.029) 28.524 6.479 ( -4.202 -0.424 -13.215) 13.873 6.619 ( -7.432 0.053 -8.673) 11.422 6.830 ( 2.687 2.447 -0.578) 3.680 7.201 ( 6.761 7.336 11.716) 15.388 8.093 ( -3.479 8.280 -4.199) 9.915 10.083 ( 1.663 -0.820 -1.913) 2.665 11.239 ( 18.205 -13.835 22.977) 32.416 12.061 ( -4.123 -25.061 -22.038) 33.626 12.602 ( 2.181 25.605 22.035) 33.851 13.101 ( -12.847 8.738 -14.044) 20.944 14.114 ( -1.362 6.271 2.218) 6.790 15.834 ( 2.289 2.141 2.450) 3.978 16.435 ( 3.589 -1.450 3.945) 5.527 16.591 ( 0.302 2.736 2.000) 3.402 16.781 ( -3.804 -4.823 -4.772) 7.779 16.830 ( -2.663 -0.938 -3.180) 4.252 16.944 ( -1.644 -1.972 -8.477) 8.857 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( 15.606 14.257 11.922) 24.269 3.467 ( 24.517 0.635 28.272) 37.427 4.351 ( -7.929 -14.245 -5.782) 17.298 4.536 ( 2.161 11.202 16.829) 20.332 4.778 ( -5.483 1.101 -4.037) 6.898 5.355 ( -14.443 -6.007 -17.397) 23.396 5.540 ( 1.422 -13.296 -8.412) 15.798 6.260 ( -7.806 -4.916 -10.245) 13.786 6.431 ( -10.590 0.526 -1.658) 10.732 6.970 ( 7.253 7.629 -3.586) 11.121 7.456 ( 5.839 5.048 15.902) 17.676 8.070 ( -4.825 5.136 -1.758) 7.263 10.165 ( 9.826 5.765 -11.796) 16.398 11.429 ( 5.123 -24.433 -8.613) 26.409 11.723 ( 7.235 -13.853 10.342) 18.741 12.705 ( -12.615 6.955 -15.111) 20.877 13.162 ( -0.885 24.638 20.760) 32.231 14.120 ( -6.595 1.290 9.560) 11.686 15.930 ( 4.916 3.752 -0.174) 6.187 16.504 ( 1.498 -3.328 -0.537) 3.689 16.554 ( -1.516 -3.618 -3.448) 5.223 16.694 ( -0.045 1.616 0.967) 1.884 16.749 ( -3.140 -0.881 -3.368) 4.689 16.875 ( -1.991 -0.690 -2.031) 2.927 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( 21.525 16.260 5.426) 27.516 3.788 ( -14.179 -20.419 -11.429) 27.361 4.037 ( 13.472 -2.929 14.490) 20.001 4.378 ( -16.091 -1.494 -12.964) 20.717 4.935 ( 0.024 0.416 9.157) 9.167 5.176 ( 1.191 11.487 1.981) 11.717 5.425 ( 4.864 -11.550 -2.905) 12.865 6.020 ( -6.840 -5.530 -11.390) 14.391 6.278 ( -10.682 4.122 7.520) 13.698 7.145 ( 8.046 6.138 -6.037) 11.784 7.689 ( 4.244 2.782 18.819) 19.491 8.010 ( -6.191 2.941 0.135) 6.856 10.378 ( 16.505 9.848 -18.981) 27.012 10.995 ( -5.468 -25.309 -23.434) 34.923 11.992 ( 12.565 -4.893 21.073) 25.018 12.417 ( -12.402 3.153 -16.155) 20.609 13.511 ( -1.721 18.980 22.640) 29.593 14.038 ( -10.548 -3.008 16.449) 19.770 16.076 ( 7.940 5.181 -2.641) 9.842 16.325 ( -5.217 -5.758 -9.718) 12.442 16.604 ( 2.686 -2.553 3.415) 5.039 16.674 ( -1.376 -0.752 -2.184) 2.688 16.745 ( 0.981 3.244 2.647) 4.300 16.825 ( -2.462 -0.664 0.135) 2.553 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -14.775 -25.051 -11.289) 31.198 3.392 ( 19.813 15.405 -1.393) 25.136 3.879 ( -27.985 3.332 -17.353) 33.096 4.297 ( 4.761 0.934 4.911) 6.904 5.011 ( 6.185 -1.782 0.425) 6.451 5.352 ( 7.733 -1.826 9.249) 12.193 5.492 ( 7.349 -2.121 8.720) 11.599 5.764 ( -8.670 -3.588 -12.216) 15.403 6.274 ( -3.817 7.079 12.818) 15.132 7.276 ( 6.603 3.272 -7.712) 10.667 7.872 ( 0.084 -0.024 15.180) 15.180 7.930 ( -5.244 2.050 6.539) 8.629 10.458 ( -2.729 -19.587 -21.616) 29.298 10.751 ( 17.446 12.210 -23.214) 31.502 11.977 ( -15.992 8.110 -19.163) 26.244 12.438 ( 15.493 -8.398 20.765) 27.235 13.644 ( -14.525 2.445 20.995) 25.647 13.998 ( -3.598 2.505 21.033) 21.485 16.129 ( -4.436 -4.578 -7.034) 9.493 16.271 ( 9.609 5.897 -4.236) 12.043 16.563 ( -2.795 -1.080 -3.066) 4.287 16.700 ( 2.864 -1.714 1.943) 3.862 16.781 ( -2.035 -0.497 1.444) 2.544 16.818 ( 1.966 2.485 3.544) 4.754 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -19.883 -25.088 -10.325) 33.635 3.236 ( -35.130 5.447 -14.911) 38.551 4.044 ( 28.007 16.045 -0.573) 32.282 4.355 ( 0.707 0.827 2.458) 2.688 4.990 ( -5.340 -8.478 3.008) 10.461 5.462 ( 1.697 -0.087 -15.930) 16.021 5.565 ( 0.837 0.722 4.507) 4.641 5.771 ( 16.265 -0.979 11.655) 20.033 6.403 ( 0.672 5.990 12.876) 14.217 7.336 ( 4.169 0.555 -9.022) 9.954 7.781 ( -9.106 -0.231 1.864) 9.298 8.047 ( 1.279 -1.107 19.997) 20.069 10.072 ( -5.096 -14.948 -17.222) 23.367 11.096 ( 17.518 17.103 -25.061) 35.035 11.655 ( -10.992 5.585 -21.658) 24.922 12.773 ( 15.741 -5.222 18.908) 25.151 13.405 ( -22.651 -9.224 24.396) 34.545 14.144 ( -0.079 3.712 18.210) 18.585 15.983 ( -4.267 -2.746 -3.866) 6.379 16.468 ( 9.467 4.438 -4.085) 11.225 16.484 ( -2.529 -0.913 -3.810) 4.663 16.700 ( -2.265 -0.886 1.331) 2.772 16.794 ( 2.058 0.741 1.048) 2.426 16.907 ( 4.117 1.184 2.875) 5.159 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -20.117 -18.235 -2.230) 27.243 2.591 ( -36.408 6.628 -13.507) 39.394 4.261 ( -10.995 -8.052 17.328) 22.045 4.735 ( 13.620 3.965 -7.701) 16.141 4.756 ( 4.824 2.761 9.017) 10.592 5.427 ( 8.651 4.097 -25.370) 27.116 5.653 ( 4.072 4.051 -0.707) 5.787 6.150 ( 19.123 -1.556 11.266) 22.249 6.537 ( 0.779 3.169 10.408) 10.907 7.323 ( 1.845 -1.212 -10.084) 10.322 7.610 ( -10.897 -1.588 0.943) 11.053 8.163 ( 1.222 -3.279 17.763) 18.105 9.816 ( -3.062 -4.436 -10.727) 12.005 11.104 ( -13.799 8.692 -19.928) 25.751 11.715 ( 23.284 11.897 -25.053) 36.213 13.025 ( -24.296 -13.311 27.452) 39.001 13.090 ( 11.904 -3.154 12.884) 17.822 14.256 ( -0.196 -1.156 14.085) 14.134 15.880 ( -4.058 -0.930 -1.168) 4.323 16.408 ( -2.408 -0.642 -3.736) 4.491 16.617 ( 5.222 0.368 -1.176) 5.366 16.657 ( -1.595 0.124 1.585) 2.252 16.845 ( 1.727 1.828 -0.158) 2.520 17.027 ( 7.752 1.796 -1.492) 8.096 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -0.000 -3.610 39.511) 39.676 2.050 ( -0.000 5.164 34.786) 35.167 3.886 ( -0.000 34.556 31.666) 46.870 4.668 ( 0.000 -7.077 -5.688) 9.080 5.186 ( 0.000 1.885 -21.035) 21.119 5.562 ( 0.000 -23.176 -6.539) 24.081 6.289 ( 0.000 -25.109 -4.191) 25.456 6.555 ( 0.000 1.113 -10.646) 10.704 6.698 ( 0.000 -6.293 -14.167) 15.502 6.801 ( 0.000 8.563 -3.054) 9.091 7.038 ( -0.000 13.573 4.266) 14.228 8.184 ( 0.000 14.626 -7.324) 16.358 10.174 ( -0.000 -14.711 17.981) 23.232 10.781 ( -0.000 -9.269 14.057) 16.838 12.109 ( 0.000 -29.185 -24.469) 38.086 12.587 ( -0.000 34.241 24.528) 42.119 13.368 ( 0.000 1.879 -10.571) 10.736 14.102 ( 0.000 15.887 -7.911) 17.748 15.806 ( -0.000 1.019 5.228) 5.327 16.366 ( -0.000 -2.022 3.195) 3.781 16.584 ( -0.000 3.393 3.310) 4.740 16.863 ( 0.000 -4.670 -4.205) 6.284 16.877 ( 0.000 -1.114 -2.628) 2.854 16.963 ( 0.000 -2.685 -11.939) 12.237 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -5.751 6.781 32.140) 33.347 2.602 ( 22.697 1.150 36.330) 42.853 4.383 ( 1.630 24.379 20.586) 31.950 4.568 ( -1.614 -3.509 -0.887) 3.962 4.960 ( -4.753 -7.048 -24.963) 26.371 5.343 ( 5.224 -22.130 -9.481) 24.636 5.934 ( -12.250 -16.224 -2.594) 20.494 6.453 ( -3.533 0.791 -15.573) 15.988 6.608 ( 2.596 -5.880 -6.536) 9.167 6.863 ( -1.707 10.447 -1.514) 10.693 7.251 ( 4.944 11.548 7.889) 14.834 8.245 ( -4.212 13.018 -5.873) 14.889 10.088 ( -3.782 -9.411 10.638) 14.698 10.926 ( 14.939 -12.411 16.538) 25.510 11.668 ( 0.099 -29.056 -22.526) 36.765 13.026 ( -4.287 27.582 16.621) 32.487 13.285 ( -4.469 8.446 -5.694) 11.123 14.216 ( -0.162 13.854 -4.761) 14.650 15.852 ( 0.435 1.380 4.596) 4.819 16.388 ( 2.361 -1.957 3.759) 4.851 16.629 ( -0.733 1.633 1.291) 2.207 16.722 ( -1.311 -7.418 -9.655) 12.246 16.837 ( -1.508 -0.899 -2.823) 3.325 16.912 ( -0.288 0.561 -4.331) 4.376 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( 3.706 12.006 22.990) 26.200 3.237 ( 24.447 1.014 33.436) 41.433 4.302 ( -10.015 -15.916 -10.487) 21.531 4.570 ( -2.083 -6.344 -13.647) 15.193 4.901 ( 4.890 11.609 6.238) 14.057 5.181 ( 2.967 -14.191 -2.445) 14.703 5.583 ( -13.619 -2.765 -6.056) 15.159 6.265 ( -6.471 -1.957 -14.758) 16.232 6.559 ( -2.358 -2.699 2.608) 4.432 6.946 ( 1.707 10.514 -4.977) 11.757 7.505 ( 5.833 8.106 12.084) 15.676 8.231 ( -6.779 9.645 -3.578) 12.320 10.049 ( 2.343 -0.940 -0.825) 2.656 11.018 ( 5.488 -25.688 -11.727) 28.766 11.438 ( 13.266 -16.974 12.159) 24.738 12.961 ( -15.157 9.336 -13.383) 22.271 13.545 ( 0.169 25.004 19.034) 31.425 14.287 ( -3.627 8.618 1.118) 9.417 15.910 ( 1.919 2.523 2.147) 3.829 16.440 ( 2.081 -3.217 0.769) 3.908 16.496 ( -1.686 -7.101 -7.076) 10.166 16.709 ( 1.170 1.891 1.686) 2.790 16.776 ( -2.794 -0.401 -2.867) 4.023 16.887 ( -1.098 0.483 -2.167) 2.477 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 11.515 14.442 13.893) 23.113 3.775 ( -16.977 -22.195 -13.719) 31.130 3.834 ( 21.295 1.028 24.895) 32.776 4.404 ( -1.776 -6.888 -10.453) 12.644 4.984 ( 10.500 -12.975 -9.914) 19.414 5.113 ( -12.244 3.939 0.065) 12.863 5.457 ( -2.509 10.093 6.490) 12.259 6.033 ( -7.533 -3.382 -11.563) 14.209 6.509 ( -6.066 0.624 9.339) 11.154 7.057 ( 4.685 8.106 -7.724) 12.137 7.747 ( 5.200 4.569 14.938) 16.464 8.170 ( -7.491 6.411 -1.735) 10.011 10.141 ( 9.491 5.523 -10.729) 15.352 10.648 ( -1.233 -25.853 -20.449) 32.986 11.742 ( 20.004 -13.189 26.074) 35.411 12.669 ( -18.281 9.849 -17.903) 27.418 13.874 ( -1.891 20.214 17.659) 26.907 14.266 ( -8.114 2.033 7.742) 11.398 16.002 ( 4.750 4.019 -0.951) 6.295 16.278 ( -3.498 -6.676 -9.344) 12.004 16.534 ( 4.477 -3.156 4.722) 7.232 16.697 ( -3.187 -0.273 -3.142) 4.484 16.767 ( 1.253 2.303 2.061) 3.335 16.856 ( -1.755 0.195 -0.887) 1.976 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -3.129 -8.024 1.273) 8.706 3.262 ( 1.864 2.410 -4.465) 5.406 4.164 ( -4.179 -5.163 -7.755) 10.211 4.237 ( -0.481 4.265 0.492) 4.320 4.969 ( -3.192 4.641 -3.358) 6.558 5.042 ( 16.367 -13.511 4.382) 21.671 5.554 ( -3.120 4.223 4.175) 6.709 5.825 ( -6.426 -1.961 -5.249) 8.526 6.496 ( -5.467 3.142 13.464) 14.867 7.157 ( 5.401 4.608 -9.239) 11.652 7.945 ( 3.242 0.876 15.541) 15.900 8.085 ( -7.315 3.610 0.106) 8.158 10.198 ( -1.010 -13.462 -15.676) 20.688 10.427 ( 14.608 4.120 -18.043) 23.578 12.115 ( 16.466 -9.045 22.293) 29.153 12.328 ( -16.820 7.431 -16.937) 25.000 14.034 ( -12.073 7.888 13.367) 19.664 14.197 ( -4.293 0.673 14.801) 15.425 16.099 ( -0.513 -2.329 -5.017) 5.554 16.161 ( 5.159 3.029 -4.445) 7.453 16.582 ( -0.526 -1.586 0.513) 1.747 16.640 ( 1.272 -1.536 -0.075) 1.995 16.821 ( -1.949 0.105 0.199) 1.962 16.826 ( 1.518 1.517 1.950) 2.900 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -21.627 -15.749 0.726) 26.763 3.732 ( 18.655 14.252 -10.516) 25.724 3.756 ( -21.033 6.263 -6.927) 23.013 4.275 ( 4.096 -3.348 -4.638) 7.036 4.987 ( 1.062 5.232 -6.914) 8.735 5.360 ( 20.528 -11.091 20.746) 31.222 5.432 ( -7.049 -5.290 -5.092) 10.178 5.744 ( -2.572 2.887 0.277) 3.877 6.547 ( -2.488 3.228 13.462) 14.066 7.212 ( 4.470 1.171 -9.839) 10.870 7.945 ( -8.530 1.066 0.478) 8.610 8.106 ( 2.227 -2.911 15.065) 15.504 9.934 ( -3.766 -9.722 -8.150) 13.233 10.737 ( 22.304 13.458 -22.748) 34.584 11.910 ( -21.620 10.233 -21.766) 32.340 12.518 ( 19.258 -10.605 22.493) 31.452 13.824 ( -20.066 -6.579 17.487) 27.417 14.278 ( -1.105 1.332 12.076) 12.199 16.006 ( -2.994 -1.400 -1.949) 3.837 16.321 ( 9.244 4.590 -4.796) 11.381 16.513 ( -3.702 0.101 -3.392) 5.022 16.688 ( 3.573 -1.731 1.693) 4.316 16.789 ( -1.382 -0.281 0.785) 1.614 16.879 ( 2.041 0.325 1.697) 2.674 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -21.985 -4.980 11.609) 25.355 3.185 ( -33.771 8.343 -15.950) 38.269 4.299 ( 8.309 -2.816 -7.531) 11.562 4.325 ( 25.472 10.298 0.229) 27.476 4.950 ( -10.581 -4.497 12.913) 17.290 5.216 ( 0.040 1.702 -21.161) 21.230 5.642 ( 3.957 -3.191 7.735) 9.255 5.859 ( 16.758 -2.523 6.462) 18.137 6.621 ( -0.737 1.785 10.742) 10.914 7.211 ( 2.791 -1.570 -9.776) 10.287 7.781 ( -10.428 -1.216 -0.809) 10.530 8.184 ( 1.937 -6.587 13.575) 15.213 9.818 ( -2.658 2.739 0.983) 3.941 11.128 ( 20.523 16.734 -25.024) 36.434 11.514 ( -16.204 7.023 -22.206) 28.373 12.864 ( 17.182 -7.973 17.409) 25.727 13.475 ( -23.513 -12.315 21.966) 34.453 14.303 ( -0.793 -5.574 8.300) 10.029 15.948 ( -3.742 1.342 1.208) 4.155 16.431 ( -2.970 0.227 -3.635) 4.699 16.487 ( 8.326 2.656 -4.066) 9.639 16.708 ( -1.685 -0.031 1.349) 2.159 16.806 ( 3.544 0.062 -0.908) 3.659 16.926 ( 3.555 -1.169 0.481) 3.773 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 3.194 38.315) 38.448 2.592 ( -0.000 6.879 31.980) 32.712 4.466 ( 0.000 -3.523 -4.363) 5.608 4.702 ( -0.000 2.430 3.628) 4.367 4.713 ( 0.000 -11.876 -34.838) 36.807 5.108 ( -0.000 -5.301 9.792) 11.135 5.901 ( -0.000 -15.336 5.660) 16.347 6.426 ( 0.000 -3.506 -13.899) 14.334 6.451 ( 0.000 5.106 -13.590) 14.517 6.985 ( -0.000 8.098 2.259) 8.407 7.373 ( -0.000 13.584 5.831) 14.783 8.379 ( 0.000 13.515 -7.126) 15.278 10.099 ( -0.000 -15.215 18.299) 23.798 10.751 ( -0.000 -11.574 6.629) 13.338 11.268 ( 0.000 -23.596 -16.386) 28.727 13.296 ( 0.000 2.996 -9.610) 10.066 13.489 ( -0.000 28.327 18.958) 34.086 14.335 ( 0.000 16.807 -7.271) 18.313 15.892 ( -0.000 0.815 5.447) 5.508 16.370 ( -0.000 -1.914 3.804) 4.259 16.563 ( 0.000 -9.769 -12.771) 16.079 16.677 ( -0.000 2.181 2.693) 3.465 16.827 ( 0.000 -0.697 -2.294) 2.398 16.904 ( 0.000 1.423 -3.166) 3.471 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -6.048 8.438 29.850) 31.604 3.080 ( 19.606 2.575 32.961) 38.438 4.246 ( -10.546 -13.892 -19.865) 26.435 4.407 ( 0.243 -11.036 -11.456) 15.909 4.643 ( 9.075 -14.892 -14.184) 22.479 5.295 ( -0.375 13.239 17.969) 22.322 5.723 ( -8.521 -6.872 1.472) 11.046 6.261 ( -5.024 0.094 -15.694) 16.479 6.497 ( 5.286 1.453 -4.845) 7.316 7.047 ( -2.434 8.507 -0.670) 8.873 7.574 ( 3.821 10.670 7.911) 13.821 8.414 ( -5.169 11.181 -6.412) 13.887 10.034 ( -1.998 -9.795 11.288) 15.078 10.618 ( 3.248 -23.293 -13.877) 27.307 11.156 ( 10.665 -10.700 11.428) 18.943 13.180 ( -9.705 5.240 -11.008) 15.583 13.864 ( 1.779 21.898 14.728) 26.450 14.437 ( -2.191 14.456 -5.153) 15.502 15.931 ( 0.207 0.988 4.114) 4.235 16.370 ( -1.298 -7.174 -9.342) 11.850 16.405 ( 2.090 -3.834 2.186) 4.883 16.717 ( 0.831 1.260 1.934) 2.453 16.796 ( -1.516 -0.072 -1.996) 2.507 16.896 ( -0.574 1.359 -2.486) 2.890 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 1.450 9.599 19.563) 21.840 3.604 ( 14.055 -5.487 15.088) 21.338 3.813 ( -7.325 -8.046 -2.214) 11.104 4.230 ( 2.295 -16.606 -6.263) 17.895 4.609 ( 9.614 -8.293 -13.631) 18.628 5.380 ( -11.335 3.583 4.615) 12.752 5.626 ( -1.906 7.899 4.003) 9.058 6.059 ( -7.256 -0.657 -14.319) 16.066 6.575 ( 3.016 -0.813 5.232) 6.093 7.075 ( -1.574 8.767 -6.067) 10.778 7.789 ( 4.823 5.841 10.242) 12.738 8.357 ( -7.944 7.684 -4.632) 11.983 10.020 ( 3.514 -1.610 -0.339) 3.880 10.320 ( -0.367 -19.763 -15.330) 25.015 11.430 ( 18.777 -11.615 23.048) 31.917 12.950 ( -15.196 7.815 -14.614) 22.485 14.147 ( 0.909 14.159 11.226) 18.092 14.464 ( -6.492 9.029 -1.006) 11.166 15.978 ( 1.882 2.109 1.223) 3.080 16.204 ( -1.911 -6.217 -8.582) 10.768 16.459 ( 3.864 -3.070 4.789) 6.877 16.726 ( -1.906 -0.039 -1.767) 2.599 16.778 ( 0.428 1.329 1.069) 1.758 16.880 ( -1.227 1.010 -1.583) 2.243 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( 4.806 3.590 7.747) 9.798 3.303 ( -11.583 -6.819 -6.871) 15.096 4.020 ( 5.112 -8.483 0.578) 9.921 4.219 ( 9.475 -0.546 7.614) 12.168 4.647 ( 14.446 -10.901 -0.889) 18.119 5.198 ( -14.362 9.328 -4.287) 17.654 5.683 ( -4.339 3.682 1.436) 5.869 5.858 ( -4.724 -2.080 -8.020) 9.537 6.644 ( -0.244 -1.218 12.927) 12.987 7.092 ( 0.685 6.604 -10.929) 12.787 7.967 ( 4.408 0.524 11.258) 12.102 8.250 ( -8.442 4.345 -3.493) 10.116 10.055 ( -2.679 -7.605 -7.362) 10.919 10.137 ( 11.286 1.427 -11.269) 16.012 11.803 ( 21.082 -13.211 25.661) 35.742 12.642 ( -19.128 9.786 -18.330) 28.242 14.306 ( -0.131 4.837 7.696) 9.091 14.374 ( -11.775 2.657 3.784) 12.651 16.053 ( 3.049 2.292 -1.848) 4.238 16.098 ( 0.187 -1.316 -4.305) 4.505 16.525 ( 4.178 -3.595 4.532) 7.136 16.662 ( -3.634 0.474 -2.853) 4.644 16.818 ( 1.611 0.703 1.245) 2.155 16.855 ( -1.753 0.620 -0.650) 1.970 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( -19.234 -4.693 8.210) 21.433 3.422 ( 18.312 5.138 -11.630) 22.293 3.993 ( -1.161 -3.957 3.855) 5.645 4.212 ( -5.857 3.065 -14.338) 15.788 4.978 ( 24.451 -11.442 23.329) 35.679 5.062 ( -8.274 13.741 -13.361) 20.876 5.546 ( -9.946 -4.245 2.623) 11.128 5.773 ( -1.100 -1.785 -4.757) 5.199 6.702 ( -2.582 -0.128 15.809) 16.019 7.092 ( 2.805 2.286 -13.243) 13.728 8.073 ( -0.279 -2.730 7.944) 8.405 8.122 ( -4.957 -0.503 -0.217) 4.988 9.935 ( -3.772 0.840 1.959) 4.332 10.364 ( 18.615 8.613 -18.291) 27.482 12.187 ( 18.464 -11.399 22.338) 31.142 12.272 ( -19.323 9.077 -19.091) 28.639 14.160 ( -15.985 -5.257 9.268) 19.211 14.340 ( -1.180 -3.040 3.929) 5.106 16.042 ( -1.751 1.612 0.727) 2.489 16.190 ( 7.484 3.855 -4.738) 9.660 16.565 ( -2.459 -0.007 -0.720) 2.562 16.605 ( 2.711 -2.547 0.811) 3.807 16.825 ( -2.099 0.213 0.143) 2.115 16.855 ( 1.684 -0.295 0.647) 1.828 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( -20.530 5.967 19.311) 28.810 3.588 ( -3.643 2.599 -21.445) 21.907 3.881 ( 3.257 4.732 -13.320) 14.506 4.231 ( 8.958 0.505 8.371) 12.271 5.008 ( -0.837 11.025 -19.653) 22.550 5.325 ( -13.485 -7.381 10.315) 18.513 5.422 ( 20.851 -9.482 22.890) 32.382 5.703 ( 1.387 -2.593 -9.091) 9.555 6.743 ( -3.584 1.668 11.427) 12.091 7.073 ( 3.804 -2.620 -10.366) 11.349 7.929 ( -9.728 -1.362 -3.007) 10.273 8.139 ( 2.622 -8.348 9.094) 12.620 9.982 ( -3.086 12.422 11.563) 17.249 10.705 ( 24.087 11.662 -22.938) 35.247 11.841 ( -23.851 10.838 -23.397) 35.125 12.565 ( 19.936 -11.795 20.887) 31.191 13.847 ( -19.735 -10.716 14.941) 26.973 14.264 ( -0.831 -11.391 1.013) 11.466 16.050 ( -2.922 4.504 4.137) 6.777 16.334 ( 8.665 3.265 -5.833) 10.944 16.484 ( -4.375 1.325 -3.813) 5.953 16.669 ( 5.220 -2.454 1.536) 5.969 16.790 ( -2.116 -0.375 0.644) 2.244 16.876 ( 1.576 -1.570 0.001) 2.224 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -0.000 6.493 35.678) 36.264 3.024 ( -0.000 0.263 22.955) 22.956 4.088 ( 0.000 -7.645 -28.006) 29.031 4.169 ( 0.000 -24.133 -10.153) 26.182 4.397 ( 0.000 -4.405 -2.101) 4.880 5.523 ( -0.000 11.136 13.126) 17.213 5.731 ( -0.000 -9.210 4.801) 10.387 6.229 ( 0.000 0.674 -13.352) 13.369 6.436 ( 0.000 7.880 -10.517) 13.141 7.139 ( -0.000 5.168 0.664) 5.211 7.687 ( -0.000 10.226 5.432) 11.579 8.523 ( 0.000 10.592 -8.828) 13.789 10.025 ( -0.000 -14.862 17.786) 23.178 10.296 ( 0.000 -18.420 -13.604) 22.899 11.051 ( -0.000 -5.258 12.101) 13.194 13.242 ( 0.000 3.378 -9.662) 10.235 14.103 ( -0.000 16.422 6.730) 17.748 14.573 ( 0.000 15.346 -6.407) 16.630 15.961 ( -0.000 -0.229 4.400) 4.406 16.240 ( 0.000 -7.203 -9.991) 12.317 16.384 ( -0.000 -2.119 4.470) 4.947 16.730 ( -0.000 0.387 1.524) 1.572 16.800 ( 0.000 0.278 -1.204) 1.236 16.901 ( 0.000 1.788 -2.478) 3.056 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.013 ( -5.891 0.303 17.853) 18.802 3.434 ( 12.641 -3.294 17.441) 21.790 3.827 ( -3.112 -3.922 -4.629) 6.819 3.944 ( 3.399 -18.092 -6.801) 19.624 4.390 ( 3.347 -1.454 -5.910) 6.946 5.596 ( -6.921 -0.191 6.671) 9.615 5.706 ( 1.046 2.118 4.089) 4.722 6.099 ( -6.662 3.158 -15.428) 17.099 6.513 ( 5.452 4.520 -3.385) 7.849 7.159 ( -2.342 4.584 -2.558) 5.748 7.827 ( 2.848 5.754 5.360) 8.364 8.513 ( -5.305 7.890 -8.621) 12.834 9.966 ( -0.819 -10.410 8.962) 13.760 10.101 ( 0.896 -10.276 -6.138) 12.003 11.190 ( 11.819 -7.401 17.396) 22.295 13.140 ( -8.593 4.946 -11.535) 15.211 14.266 ( 1.700 8.559 0.802) 8.763 14.638 ( -3.792 10.978 -5.863) 13.010 15.982 ( 0.475 -0.241 2.738) 2.789 16.128 ( -0.635 -3.453 -6.170) 7.099 16.409 ( 2.059 -2.538 4.636) 5.672 16.737 ( -0.231 -0.120 0.026) 0.262 16.793 ( -0.488 0.668 -0.005) 0.828 16.899 ( -0.733 1.717 -1.945) 2.696 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 1.535 -3.990 4.065) 5.899 3.376 ( -6.656 -5.251 -6.894) 10.927 3.844 ( 4.804 -13.253 3.902) 14.627 4.094 ( 14.440 3.020 25.278) 29.268 4.387 ( 4.228 -0.991 -9.573) 10.512 5.499 ( -10.523 5.992 2.971) 12.468 5.740 ( 0.174 -1.008 -1.184) 1.564 5.891 ( -8.906 1.677 -14.501) 17.100 6.640 ( 5.587 0.391 5.386) 7.770 7.124 ( -3.416 4.525 -7.193) 9.158 7.949 ( 3.882 -0.183 5.789) 6.972 8.406 ( -8.131 4.321 -7.116) 11.637 9.943 ( 4.558 -3.421 -2.255) 6.129 10.045 ( -0.804 0.949 2.025) 2.377 11.483 ( 18.412 -11.763 22.320) 31.234 12.918 ( -14.772 7.613 -15.338) 22.615 14.330 ( 1.178 -0.328 -1.713) 2.104 14.578 ( -7.762 3.634 -5.065) 9.955 16.016 ( 2.435 0.833 -0.126) 2.577 16.084 ( -0.715 1.519 -1.191) 2.058 16.453 ( 3.131 -3.363 4.602) 6.503 16.710 ( -2.564 0.654 -1.623) 3.104 16.804 ( 0.912 0.012 0.740) 1.175 16.886 ( -1.416 1.316 -1.134) 2.241 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( 10.904 -7.833 -11.454) 17.648 3.201 ( -12.791 4.548 7.518) 15.518 3.900 ( 8.826 -9.302 11.910) 17.501 4.247 ( -3.195 5.306 -14.715) 15.965 4.653 ( 20.168 -2.798 25.435) 32.581 5.355 ( -16.281 14.585 -11.663) 24.776 5.665 ( -4.397 -5.163 0.031) 6.782 5.704 ( -2.624 -4.403 -7.771) 9.309 6.773 ( 4.602 -2.189 12.366) 13.375 7.042 ( -4.057 3.527 -12.048) 13.193 8.023 ( 3.807 -5.430 6.071) 8.991 8.244 ( -8.863 1.050 -6.267) 10.906 10.044 ( 9.439 4.204 -4.220) 11.161 10.113 ( 0.170 10.493 3.312) 11.005 11.840 ( 21.231 -14.205 24.305) 35.260 12.604 ( -19.487 10.001 -19.493) 29.321 14.277 ( -0.361 -8.960 -2.727) 9.373 14.391 ( -11.057 -3.728 -2.191) 11.872 16.084 ( 5.214 1.801 -3.486) 6.526 16.113 ( -1.087 5.550 3.282) 6.539 16.505 ( 3.878 -3.822 4.241) 6.902 16.648 ( -4.349 1.546 -2.461) 5.230 16.824 ( 1.413 -0.909 0.157) 1.687 16.863 ( -1.915 0.758 -0.276) 2.078 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.130 ( 20.492 -7.714 -22.647) 31.501 3.130 ( -16.926 13.889 22.647) 31.501 4.090 ( -9.408 5.974 -16.051) 19.541 4.090 ( 9.877 -5.160 16.051) 19.541 5.118 ( -13.084 14.251 -23.685) 30.582 5.118 ( 18.884 -4.206 23.685) 30.582 5.556 ( 0.839 -9.139 -13.039) 15.945 5.556 ( -8.334 -3.843 13.039) 15.945 6.907 ( -1.165 -0.194 -19.456) 19.492 6.907 ( 0.414 -1.107 19.456) 19.492 8.049 ( -8.857 -1.872 -6.316) 11.038 8.049 ( 2.807 -8.606 6.316) 11.038 10.296 ( 18.932 7.989 -19.190) 28.115 10.296 ( -2.547 20.390 19.190) 28.115 12.214 ( -23.071 11.528 -23.072) 34.604 12.214 ( 21.519 -14.216 23.072) 34.604 14.114 ( -1.085 -16.819 -7.585) 18.482 14.114 ( -14.023 -9.349 7.585) 18.482 16.184 ( 7.506 2.138 -6.077) 9.891 16.184 ( -1.902 7.569 6.077) 9.891 16.564 ( -5.157 2.024 -3.523) 6.565 16.564 ( 4.331 -3.454 3.523) 6.565 16.833 ( 1.281 -1.916 -0.542) 2.368 16.833 ( -2.300 0.151 0.542) 2.368 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( -0.000 -6.407 11.882) 13.499 3.261 ( -0.000 -22.355 4.586) 22.820 3.782 ( 0.000 2.396 -16.955) 17.123 3.858 ( -0.000 4.832 20.477) 21.040 4.350 ( -0.000 -0.875 1.126) 1.426 5.655 ( -0.000 -4.540 4.356) 6.292 5.729 ( -0.000 -0.349 3.035) 3.055 6.125 ( 0.000 4.913 -12.836) 13.744 6.483 ( 0.000 7.816 -7.615) 10.912 7.197 ( 0.000 1.932 -2.049) 2.816 7.871 ( -0.000 3.055 2.149) 3.735 8.570 ( 0.000 6.717 -11.674) 13.469 9.946 ( -0.000 -14.386 16.450) 21.853 10.007 ( -0.000 0.198 0.061) 0.207 11.121 ( -0.000 -5.511 14.326) 15.350 13.191 ( 0.000 4.090 -10.470) 11.241 14.290 ( 0.000 3.608 -7.032) 7.904 14.710 ( 0.000 6.449 -10.385) 12.224 15.984 ( -0.000 -1.884 2.750) 3.333 16.098 ( 0.000 1.675 -1.914) 2.544 16.396 ( -0.000 -2.279 4.486) 5.031 16.737 ( -0.000 -0.383 0.410) 0.561 16.803 ( 0.000 0.462 -0.118) 0.477 16.913 ( 0.000 2.053 -1.874) 2.779 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -3.562 -21.503 -3.166) 22.025 3.267 ( 9.536 -12.506 9.415) 18.329 3.728 ( -0.571 5.004 -9.507) 10.759 4.163 ( 5.587 11.656 26.681) 29.647 4.345 ( -1.152 1.033 0.083) 1.549 5.641 ( -0.355 -1.602 3.095) 3.503 5.692 ( -0.972 -6.288 -1.091) 6.456 6.010 ( -9.815 7.337 -15.803) 19.997 6.570 ( 5.527 4.594 -3.016) 7.794 7.178 ( -2.442 1.801 -2.794) 4.124 7.908 ( 2.236 -1.719 1.196) 3.063 8.505 ( -4.940 3.789 -11.776) 13.320 9.880 ( -1.239 -8.929 9.070) 12.788 10.120 ( 2.209 9.455 9.967) 13.915 11.245 ( 10.825 -8.797 17.225) 22.164 13.097 ( -8.208 5.798 -12.482) 16.024 14.247 ( 1.282 -4.382 -10.403) 11.361 14.641 ( -3.546 1.108 -12.841) 13.367 15.984 ( 1.021 -1.979 1.234) 2.546 16.138 ( -0.410 6.656 2.328) 7.063 16.412 ( 1.396 -2.693 4.379) 5.327 16.733 ( -0.433 -0.109 -0.202) 0.490 16.802 ( -0.310 0.115 -0.022) 0.332 16.915 ( -0.921 1.923 -1.430) 2.567 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( 5.051 -20.106 -12.403) 24.158 3.403 ( 9.451 -9.086 15.969) 20.661 3.756 ( -0.886 7.457 2.883) 8.044 4.280 ( -3.241 4.699 -6.836) 8.906 4.602 ( 9.667 9.777 27.114) 30.401 5.536 ( -0.484 -11.858 -10.212) 15.657 5.670 ( -4.573 4.926 4.903) 8.320 5.764 ( -12.775 5.149 -17.173) 22.014 6.691 ( 6.280 0.377 -0.439) 6.307 7.119 ( -4.896 2.212 -1.610) 5.608 7.927 ( 3.500 -6.222 1.944) 7.399 8.347 ( -7.666 0.566 -10.399) 12.932 9.873 ( 4.710 -2.625 -1.324) 5.552 10.369 ( -0.015 19.762 16.908) 26.008 11.505 ( 17.806 -13.232 21.554) 30.931 12.881 ( -14.826 8.682 -16.502) 23.822 14.105 ( 0.918 -14.296 -12.682) 19.132 14.476 ( -6.426 -2.544 -9.415) 11.679 16.002 ( 2.999 -1.110 -1.332) 3.465 16.230 ( -1.032 9.157 4.954) 10.462 16.442 ( 2.374 -3.192 4.189) 5.777 16.713 ( -2.201 1.266 -1.066) 2.754 16.797 ( 0.271 -0.887 -0.172) 0.944 16.902 ( -1.709 1.400 -0.783) 2.344 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( -0.000 -29.839 -1.275) 29.866 3.047 ( -0.000 -20.709 8.473) 22.375 3.825 ( 0.000 23.528 -9.677) 25.440 4.353 ( -0.000 4.530 4.842) 6.631 4.455 ( -0.000 11.073 26.152) 28.399 5.580 ( 0.000 -13.729 -4.873) 14.568 5.627 ( -0.000 -2.164 0.872) 2.334 6.108 ( 0.000 9.284 -12.568) 15.625 6.536 ( 0.000 6.118 -7.238) 9.477 7.207 ( -0.000 1.085 0.740) 1.313 7.856 ( 0.000 -4.521 -1.427) 4.740 8.494 ( 0.000 2.367 -15.101) 15.285 9.869 ( -0.000 -12.919 15.392) 20.095 10.308 ( -0.000 18.171 15.707) 24.019 11.175 ( -0.000 -6.594 14.998) 16.383 13.152 ( 0.000 5.713 -11.316) 12.676 14.076 ( 0.000 -11.209 -16.665) 20.084 14.580 ( 0.000 -0.045 -16.873) 16.873 15.958 ( -0.000 -3.396 1.696) 3.796 16.250 ( -0.000 10.326 4.576) 11.294 16.403 ( -0.000 -2.458 4.160) 4.832 16.728 ( -0.000 -1.115 0.039) 1.116 16.809 ( 0.000 0.562 -0.436) 0.711 16.935 ( 0.000 2.300 -1.378) 2.681 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -1.780 -26.831 -3.862) 27.166 3.009 ( 16.200 -26.327 9.574) 32.360 4.048 ( -2.576 30.973 0.068) 31.080 4.358 ( -3.412 2.597 -0.424) 4.309 4.782 ( 3.156 13.111 25.214) 28.593 5.351 ( -2.114 -18.487 -8.039) 20.270 5.649 ( 3.485 -2.093 0.406) 4.086 6.022 ( -11.902 12.529 -13.864) 22.155 6.592 ( 4.579 3.390 -6.936) 8.976 7.209 ( -2.621 1.321 3.878) 4.864 7.808 ( 2.542 -7.568 -1.235) 8.079 8.375 ( -4.173 0.284 -15.247) 15.810 9.822 ( -1.265 -8.178 9.710) 12.758 10.666 ( 4.527 22.022 21.332) 30.992 11.284 ( 8.207 -7.245 18.070) 21.127 13.071 ( -8.343 7.768 -13.238) 17.470 13.819 ( 0.877 -19.587 -20.260) 28.194 14.454 ( -2.272 -0.846 -15.272) 15.463 15.942 ( 1.286 -3.348 0.762) 3.667 16.382 ( -1.033 11.227 5.314) 12.464 16.411 ( 0.927 -2.626 3.979) 4.857 16.717 ( 0.492 -1.511 -0.611) 1.703 16.807 ( -0.781 1.104 -0.378) 1.404 16.941 ( -1.314 2.488 -0.982) 2.980 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -0.000 -28.434 7.205) 29.332 2.596 ( -0.000 -29.325 4.071) 29.606 4.397 ( 0.000 -0.289 -3.625) 3.636 4.399 ( 0.000 35.784 -0.853) 35.794 4.947 ( -0.000 -5.856 1.977) 6.180 5.215 ( -0.000 -4.595 16.778) 17.396 5.603 ( 0.000 1.250 -1.051) 1.633 6.185 ( 0.000 13.626 -11.585) 17.885 6.531 ( 0.000 3.988 -9.840) 10.617 7.279 ( -0.000 0.951 7.728) 7.786 7.687 ( 0.000 -9.286 -2.835) 9.710 8.308 ( 0.000 -0.024 -18.024) 18.024 9.832 ( -0.000 -9.654 15.655) 18.392 10.875 ( -0.000 5.935 19.130) 20.030 11.372 ( -0.000 13.407 21.207) 25.090 13.148 ( 0.000 8.167 -11.347) 13.981 13.451 ( 0.000 -24.764 -25.302) 35.403 14.365 ( 0.000 0.181 -17.500) 17.501 15.901 ( -0.000 -4.218 1.686) 4.542 16.403 ( -0.000 -2.435 3.899) 4.596 16.536 ( -0.000 10.869 4.442) 11.742 16.682 ( 0.000 -2.871 -1.302) 3.153 16.823 ( 0.000 1.559 -0.570) 1.660 16.983 ( 0.000 4.416 -0.125) 4.418 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -0.000 0.000 35.825) 35.825 1.930 ( -0.000 0.000 35.825) 35.825 2.551 ( -0.000 0.000 47.819) 47.819 5.029 ( 0.000 -0.000 -9.762) 9.762 5.029 ( 0.000 -0.000 -9.762) 9.762 6.309 ( -0.000 0.000 2.525) 2.525 6.309 ( -0.000 0.000 2.525) 2.525 6.635 ( -0.000 0.000 1.195) 1.195 6.735 ( 0.000 -0.000 -16.983) 16.983 7.024 ( 0.000 -0.000 -13.949) 13.949 7.024 ( 0.000 -0.000 -13.949) 13.949 7.805 ( 0.000 -0.000 -14.267) 14.267 10.476 ( -0.000 0.000 22.298) 22.298 11.229 ( -0.000 0.000 20.209) 20.209 11.229 ( -0.000 0.000 20.209) 20.209 12.950 ( 0.000 -0.000 -16.513) 16.513 13.582 ( 0.000 -0.000 -14.843) 14.843 13.582 ( 0.000 -0.000 -14.843) 14.843 15.754 ( -0.000 0.000 5.430) 5.430 16.434 ( -0.000 0.000 3.418) 3.418 16.434 ( -0.000 0.000 3.418) 3.418 16.921 ( 0.000 -0.000 -3.066) 3.066 16.921 ( 0.000 -0.000 -3.066) 3.066 17.163 ( 0.000 -0.000 -12.778) 12.778 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -12.953 -7.479 37.947) 40.788 2.422 ( 14.591 8.424 33.294) 37.315 3.106 ( 17.545 10.130 44.743) 49.116 4.831 ( -5.304 -3.062 -10.226) 11.920 5.069 ( 2.754 1.590 -12.791) 13.180 6.121 ( -8.928 -5.155 -0.303) 10.314 6.375 ( 0.233 0.135 -0.848) 0.890 6.615 ( -4.664 -2.693 -14.131) 15.122 6.653 ( -14.538 -8.394 -22.096) 27.750 6.821 ( 11.270 6.507 6.377) 14.492 6.982 ( -0.636 -0.367 -8.768) 8.799 7.833 ( 7.236 4.177 -12.287) 14.859 10.394 ( -14.923 -8.616 16.916) 24.147 11.258 ( 4.145 2.393 22.293) 22.801 11.749 ( 17.626 10.176 23.310) 30.945 12.722 ( -8.910 -5.144 -18.955) 21.567 13.232 ( -10.142 -5.855 -19.086) 22.392 13.793 ( 12.598 7.274 -10.018) 17.663 15.792 ( 0.168 0.097 5.953) 5.956 16.428 ( -0.297 -0.171 3.801) 3.817 16.503 ( 2.029 1.171 3.502) 4.213 16.887 ( -1.140 -0.658 -3.437) 3.680 16.896 ( -0.860 -0.497 -2.248) 2.458 17.050 ( -2.476 -1.429 -14.265) 14.549 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -1.570 -0.906 32.709) 32.760 2.982 ( 17.099 9.872 29.608) 35.587 3.797 ( 19.022 10.983 41.365) 46.835 4.666 ( -4.040 -2.333 -9.212) 10.326 4.988 ( -2.585 -1.492 -14.520) 14.824 5.904 ( -9.004 -5.199 -5.337) 11.687 6.040 ( -22.671 -13.089 -19.890) 32.878 6.378 ( 1.807 1.043 -7.598) 7.880 6.484 ( -1.968 -1.136 -17.682) 17.827 6.903 ( -3.049 -1.761 0.899) 3.634 7.138 ( 11.078 6.396 10.929) 16.825 7.920 ( 5.634 3.253 -8.988) 11.095 10.165 ( -10.000 -5.774 7.288) 13.655 11.547 ( 7.154 4.131 24.439) 25.798 12.183 ( -0.482 -0.278 -1.641) 1.733 12.458 ( 4.585 2.647 5.108) 7.357 12.893 ( -8.648 -4.993 -21.284) 23.510 14.000 ( 8.689 5.017 -3.211) 10.534 15.833 ( 0.543 0.313 4.878) 4.918 16.471 ( 1.807 1.044 4.643) 5.091 16.563 ( 1.415 0.817 2.549) 3.028 16.823 ( -4.556 -2.631 -6.693) 8.514 16.828 ( -2.083 -1.203 -3.680) 4.397 16.917 ( -1.075 -0.620 -8.821) 8.908 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 8.577 4.952 23.547) 25.545 3.538 ( 16.526 9.541 24.127) 30.761 4.435 ( 14.695 8.484 31.524) 35.800 4.518 ( -5.674 -3.276 -6.553) 9.267 4.786 ( -6.411 -3.701 -10.220) 12.619 5.362 ( -20.144 -11.630 -27.865) 36.297 5.713 ( -7.367 -4.253 -2.864) 8.975 6.314 ( -4.278 -2.470 -14.626) 15.438 6.324 ( -2.683 -1.549 -7.238) 7.873 6.904 ( 2.269 1.310 4.333) 5.064 7.450 ( 9.275 5.355 14.717) 18.201 7.970 ( 2.639 1.524 -5.758) 6.515 10.062 ( -0.114 -0.066 -2.517) 2.521 11.785 ( -16.281 -9.400 -23.505) 30.099 11.849 ( 6.303 3.639 21.540) 22.736 12.585 ( -6.997 -4.040 -19.199) 20.830 12.912 ( 15.372 8.875 25.828) 31.339 14.137 ( 2.873 1.659 4.322) 5.449 15.885 ( 2.369 1.368 2.360) 3.613 16.551 ( -3.915 -2.260 -6.719) 8.098 16.561 ( 3.181 1.837 5.498) 6.612 16.684 ( -1.369 -0.790 -2.627) 3.066 16.749 ( -2.646 -1.528 -3.888) 4.945 16.872 ( -0.788 -0.455 -2.497) 2.658 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( 16.641 9.608 14.754) 24.226 3.952 ( 4.083 2.357 10.099) 11.145 4.245 ( -12.679 -7.320 -3.668) 15.093 4.349 ( -14.877 -8.589 -16.356) 23.720 4.911 ( -2.001 -1.155 -25.157) 25.263 5.047 ( 11.639 6.720 30.902) 33.698 5.573 ( -3.410 -1.969 -0.228) 3.944 6.107 ( -7.240 -4.180 -10.241) 13.220 6.214 ( -3.738 -2.158 0.528) 4.349 7.032 ( 6.739 3.891 0.127) 7.783 7.736 ( 7.017 4.052 17.556) 19.336 7.969 ( -0.388 -0.224 -2.759) 2.796 10.127 ( 9.401 5.428 -11.149) 15.561 11.245 ( -17.722 -10.232 -24.416) 31.857 12.004 ( -1.270 -0.733 -3.927) 4.192 12.425 ( 0.568 0.328 4.920) 4.964 13.381 ( 11.391 6.577 25.389) 28.594 14.180 ( -3.418 -1.973 11.956) 12.590 15.980 ( 5.652 3.263 -0.616) 6.556 16.359 ( -6.378 -3.682 -10.180) 12.564 16.647 ( -1.472 -0.850 -0.602) 1.803 16.689 ( 2.230 1.287 2.217) 3.397 16.697 ( 1.030 0.594 1.454) 1.878 16.838 ( -1.364 -0.788 -0.760) 1.749 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.074 ( 23.226 13.409 8.245) 28.057 3.496 ( -26.974 -15.573 -13.527) 33.957 3.832 ( -21.207 -12.244 -15.281) 28.864 4.298 ( 4.138 2.389 4.352) 6.463 4.883 ( 8.336 4.813 -21.252) 23.330 5.404 ( 5.139 2.967 20.777) 21.607 5.594 ( 3.556 2.053 8.381) 9.333 5.856 ( -10.665 -6.158 -4.716) 13.187 6.211 ( 1.755 1.013 7.668) 7.931 7.177 ( 6.445 3.721 -3.415) 8.188 7.920 ( -3.127 -1.805 -0.158) 3.614 7.981 ( 4.389 2.534 19.382) 20.033 10.342 ( 16.934 9.777 -17.776) 26.426 10.698 ( -16.996 -9.813 -23.452) 30.581 11.791 ( -7.462 -4.308 -19.935) 21.718 12.621 ( 6.601 3.811 19.122) 20.585 13.707 ( 2.756 1.591 22.783) 23.004 14.154 ( -5.751 -3.321 19.008) 20.134 16.135 ( 8.825 5.095 -3.044) 10.635 16.165 ( -5.631 -3.251 -7.609) 10.009 16.566 ( -2.758 -1.593 -3.977) 5.095 16.727 ( 0.770 0.444 0.906) 1.269 16.795 ( 3.434 1.982 4.725) 6.168 16.802 ( -1.515 -0.875 0.501) 1.819 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( -26.897 -15.529 -12.648) 33.535 3.218 ( -24.898 -14.375 -9.313) 30.221 3.705 ( 28.621 16.524 1.946) 33.106 4.370 ( 1.339 0.773 1.500) 2.154 4.941 ( 7.937 4.582 -21.344) 23.228 5.530 ( -13.860 -8.002 -2.605) 16.215 5.554 ( 0.996 0.575 9.236) 9.308 5.851 ( 9.538 5.507 14.524) 18.228 6.362 ( 5.045 2.913 11.400) 12.802 7.268 ( 3.840 2.217 -5.811) 7.309 7.826 ( -5.562 -3.211 1.830) 6.678 8.172 ( 1.864 1.076 19.684) 19.802 10.204 ( -13.940 -8.048 -20.733) 26.248 10.657 ( 20.350 11.749 -21.867) 32.099 11.495 ( -6.688 -3.861 -19.524) 20.996 12.895 ( 7.404 4.275 16.412) 18.505 13.714 ( -13.491 -7.789 22.436) 27.314 14.227 ( 0.645 0.372 21.154) 21.167 16.012 ( -4.549 -2.626 -4.407) 6.856 16.334 ( 10.317 5.957 -4.452) 12.718 16.481 ( -2.448 -1.413 -4.223) 5.082 16.725 ( -1.484 -0.857 0.443) 1.770 16.794 ( 0.459 0.265 1.247) 1.355 16.894 ( 3.193 1.844 3.221) 4.896 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -0.000 -2.568 37.172) 37.261 2.340 ( -0.000 -8.033 38.616) 39.443 3.469 ( -0.000 28.108 40.841) 49.579 4.752 ( 0.000 -6.401 -10.850) 12.598 4.993 ( 0.000 4.810 -18.903) 19.506 5.988 ( -0.000 -21.898 -1.044) 21.923 6.451 ( 0.000 0.658 -12.807) 12.823 6.593 ( 0.000 9.149 -5.012) 10.432 6.701 ( 0.000 -17.241 -9.318) 19.598 6.732 ( 0.000 -5.790 -13.722) 14.893 6.819 ( -0.000 10.577 4.011) 11.312 7.811 ( 0.000 15.721 -12.707) 20.214 10.586 ( -0.000 -13.656 21.896) 25.806 11.136 ( -0.000 -15.831 19.558) 25.162 12.059 ( -0.000 33.697 24.088) 41.421 12.495 ( 0.000 -22.792 -22.005) 31.681 13.248 ( 0.000 0.545 -16.060) 16.069 13.705 ( 0.000 17.116 -13.841) 22.012 15.834 ( -0.000 0.077 7.283) 7.284 16.433 ( -0.000 -2.383 4.053) 4.702 16.538 ( -0.000 3.328 3.813) 5.061 16.875 ( 0.000 -0.544 -3.386) 3.429 16.878 ( 0.000 0.047 -3.244) 3.244 16.954 ( 0.000 -3.959 -14.761) 15.283 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( -12.128 -1.266 37.885) 39.799 2.845 ( 22.094 -2.178 34.884) 41.350 4.035 ( 6.156 25.425 35.456) 44.062 4.618 ( -1.734 -3.693 -10.035) 10.832 4.885 ( 0.004 -1.320 -23.357) 23.394 5.762 ( 1.170 -22.996 -3.174) 23.243 6.165 ( -20.697 -12.300 -17.599) 29.822 6.348 ( -1.918 -1.232 -14.650) 14.826 6.577 ( -8.791 10.754 -3.205) 14.255 6.777 ( 9.424 -7.957 -4.768) 13.223 7.091 ( 10.504 10.122 9.026) 17.154 7.906 ( 0.432 15.327 -10.763) 18.734 10.381 ( -15.787 -11.990 16.127) 25.555 11.331 ( 19.428 -15.639 21.419) 32.875 12.087 ( -1.520 -25.756 -22.352) 34.137 12.558 ( 2.049 29.899 21.777) 37.046 13.049 ( -12.708 8.511 -16.191) 22.273 13.893 ( 8.918 13.931 -9.625) 19.138 15.875 ( -0.642 0.000 7.134) 7.163 16.453 ( 2.063 -1.970 4.553) 5.373 16.594 ( -0.052 2.894 3.172) 4.294 16.786 ( -2.477 -5.574 -12.729) 14.115 16.831 ( -1.729 -0.479 -3.919) 4.310 16.875 ( 0.585 0.405 -4.290) 4.349 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -3.158 3.723 32.473) 32.837 3.415 ( 21.183 1.357 29.331) 36.206 4.461 ( 0.650 -2.210 -0.670) 2.399 4.535 ( 0.098 2.644 -6.287) 6.821 4.753 ( 3.926 4.269 3.981) 7.035 5.474 ( -14.353 -13.449 -14.589) 24.490 5.637 ( -8.032 -13.555 -8.326) 17.821 6.211 ( -2.243 -1.783 -15.009) 15.281 6.503 ( -9.502 10.834 -4.022) 14.961 6.842 ( 6.812 -3.937 0.898) 7.919 7.428 ( 10.362 7.702 12.693) 18.105 7.978 ( -0.966 11.735 -8.060) 14.269 10.135 ( -9.772 -5.990 7.488) 13.690 11.475 ( 4.915 -27.114 -11.256) 29.766 11.835 ( 11.535 -13.623 11.304) 21.129 12.662 ( -15.069 9.715 -16.521) 24.381 13.141 ( 2.305 27.178 19.345) 33.439 14.108 ( 6.773 9.061 -2.994) 11.702 15.903 ( -0.450 0.420 5.286) 5.322 16.506 ( 1.601 -3.115 0.204) 3.508 16.563 ( -1.746 -3.198 -5.158) 6.315 16.683 ( 0.490 1.152 0.073) 1.254 16.762 ( -2.783 -0.460 -4.103) 4.979 16.863 ( -0.076 0.379 -2.621) 2.649 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 5.345 8.031 24.103) 25.962 3.909 ( 13.311 2.936 18.641) 23.093 4.167 ( -7.835 -22.512 -14.743) 28.027 4.405 ( -2.569 -1.852 -13.488) 13.855 4.960 ( -20.258 3.842 -22.424) 30.462 5.126 ( 10.075 5.498 22.589) 25.338 5.473 ( 3.122 -11.821 1.905) 12.374 6.050 ( -3.517 -4.304 -10.765) 12.115 6.425 ( -9.989 11.157 -1.150) 15.019 6.947 ( 6.980 -0.281 1.095) 7.071 7.744 ( 8.887 5.293 15.160) 18.353 8.006 ( -2.351 7.850 -5.045) 9.623 10.039 ( -0.284 0.425 -1.772) 1.844 11.054 ( -3.654 -27.653 -22.945) 36.117 12.084 ( 6.469 -1.821 14.737) 16.197 12.389 ( -7.757 2.307 -12.294) 14.718 13.568 ( 2.892 21.754 21.221) 30.528 14.252 ( 1.923 3.719 4.515) 6.157 15.946 ( 1.870 1.815 2.298) 3.474 16.341 ( -4.400 -5.660 -10.440) 12.664 16.616 ( 4.189 -2.174 4.360) 6.425 16.680 ( -3.073 -0.381 -4.164) 5.189 16.729 ( 0.885 2.936 2.584) 4.010 16.846 ( -0.752 0.105 -1.590) 1.762 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 13.769 11.223 14.977) 23.234 3.559 ( -17.850 -25.464 -11.417) 33.127 4.114 ( -19.173 0.895 -12.216) 22.752 4.248 ( 5.747 -0.537 4.352) 7.228 4.702 ( -0.246 9.009 -24.631) 26.228 5.393 ( 13.830 -11.280 15.767) 23.814 5.539 ( 2.385 1.662 11.125) 11.498 5.881 ( -5.104 -5.545 -4.441) 8.747 6.394 ( -7.331 12.105 4.271) 14.783 7.073 ( 7.031 0.635 -1.057) 7.138 7.973 ( -1.445 3.329 1.544) 3.944 8.034 ( 4.361 3.763 12.837) 14.070 10.105 ( 8.655 5.126 -10.304) 14.400 10.585 ( -5.999 -21.771 -20.711) 30.642 11.936 ( -17.795 10.598 -19.886) 28.713 12.521 ( 14.823 -8.932 20.256) 26.643 13.896 ( -0.195 13.384 18.609) 22.923 14.306 ( -2.519 -0.956 12.533) 12.819 16.039 ( 5.522 3.479 -1.012) 6.605 16.164 ( -3.839 -4.164 -7.492) 9.392 16.584 ( -3.498 -0.590 -4.004) 5.350 16.690 ( 3.218 -1.923 2.291) 4.393 16.800 ( 1.940 2.514 3.154) 4.476 16.821 ( -1.202 -0.099 -0.550) 1.326 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -21.171 -22.522 -4.370) 31.217 3.427 ( 17.090 12.423 -1.189) 21.161 3.622 ( -24.712 2.803 -5.330) 25.435 4.322 ( 3.606 -2.006 -0.919) 4.227 4.709 ( 7.151 8.458 -26.144) 28.393 5.570 ( -3.985 -5.225 7.384) 9.885 5.680 ( 15.803 -5.766 12.341) 20.863 5.723 ( -5.732 -3.029 5.207) 8.315 6.471 ( -1.826 10.044 8.120) 13.044 7.172 ( 5.390 -0.333 -2.835) 6.100 7.920 ( -5.643 1.223 -0.072) 5.775 8.238 ( 4.304 -0.135 16.878) 17.419 10.110 ( -4.087 -14.055 -15.879) 21.596 10.374 ( 12.715 9.844 -17.426) 23.711 11.598 ( -16.791 7.291 -20.527) 27.504 12.812 ( 13.210 -5.896 18.336) 23.355 13.995 ( -9.655 0.051 16.726) 19.313 14.357 ( -0.701 -0.296 17.713) 17.730 16.029 ( -3.328 -2.574 -3.815) 5.679 16.197 ( 8.691 4.977 -3.768) 10.701 16.494 ( -3.318 -0.508 -4.270) 5.431 16.724 ( 1.252 -1.077 0.796) 1.834 16.799 ( -0.679 -0.286 0.468) 0.873 16.878 ( 2.586 1.165 2.661) 3.889 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.000 -4.006 39.625) 39.827 2.711 ( -0.000 2.524 36.615) 36.702 4.394 ( -0.000 15.538 15.906) 22.236 4.578 ( -0.000 4.630 2.640) 5.330 4.671 ( 0.000 -5.702 -33.304) 33.788 5.493 ( -0.000 -24.723 -0.532) 24.729 6.239 ( 0.000 -0.936 -14.914) 14.943 6.261 ( 0.000 -12.267 -6.597) 13.928 6.428 ( 0.000 -5.929 -14.573) 15.732 6.823 ( -0.000 9.859 2.835) 10.259 7.144 ( -0.000 13.537 7.315) 15.387 8.012 ( 0.000 17.781 -10.917) 20.865 10.545 ( -0.000 -16.879 21.898) 27.648 11.075 ( -0.000 -14.526 16.018) 21.624 11.669 ( 0.000 -28.152 -21.607) 35.488 13.012 ( -0.000 32.254 21.319) 38.663 13.136 ( 0.000 5.512 -14.553) 15.562 13.908 ( 0.000 19.782 -12.950) 23.644 15.929 ( -0.000 -0.307 8.110) 8.116 16.439 ( -0.000 -2.383 4.600) 5.181 16.646 ( -0.000 2.837 3.503) 4.508 16.652 ( 0.000 -7.493 -14.451) 16.278 16.823 ( 0.000 -0.517 -3.158) 3.200 16.853 ( 0.000 1.419 -3.838) 4.092 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -11.371 2.455 36.499) 38.308 3.259 ( 20.149 0.570 34.179) 39.680 4.348 ( -2.817 -11.126 -30.856) 32.922 4.423 ( -0.010 -1.086 -10.245) 10.303 4.820 ( 6.306 3.727 11.590) 13.710 5.319 ( 0.965 -12.447 7.724) 14.680 5.827 ( -21.895 -5.233 -9.690) 24.509 6.141 ( -1.611 1.094 -17.701) 17.808 6.515 ( 13.226 -6.260 -3.241) 14.987 6.845 ( -7.430 11.142 -0.601) 13.406 7.418 ( 8.874 10.710 10.016) 17.140 8.097 ( -2.137 15.648 -9.896) 18.638 10.339 ( -14.467 -12.447 16.517) 25.239 11.039 ( 4.681 -27.544 -13.269) 30.929 11.490 ( 16.004 -15.299 11.916) 25.143 12.952 ( -15.024 9.543 -15.257) 23.442 13.480 ( 3.588 26.841 17.425) 32.201 14.080 ( 5.365 16.702 -9.906) 20.147 15.961 ( -1.317 -0.467 7.267) 7.400 16.443 ( -0.453 -5.318 -6.205) 8.185 16.495 ( 1.040 -4.666 -1.893) 5.142 16.699 ( 0.719 2.098 2.771) 3.549 16.781 ( -2.078 0.069 -3.384) 3.972 16.851 ( 0.369 1.303 -3.213) 3.486 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -4.478 5.266 30.195) 30.976 3.780 ( 17.738 -0.994 20.027) 26.771 3.968 ( -5.655 -13.838 -21.313) 26.033 4.340 ( -1.343 -2.025 -8.802) 9.131 4.892 ( 11.427 -20.351 0.379) 23.343 5.285 ( -18.899 4.652 -6.694) 20.582 5.493 ( -2.580 6.896 8.157) 10.989 6.006 ( -2.657 -1.227 -13.450) 13.765 6.631 ( 2.371 -0.056 5.031) 5.562 6.846 ( -0.164 8.393 -5.781) 10.192 7.733 ( 9.191 6.937 12.374) 16.903 8.125 ( -3.976 11.857 -7.835) 14.758 10.115 ( -8.961 -5.871 7.998) 13.370 10.671 ( -0.153 -26.539 -20.199) 33.352 11.826 ( 21.772 -13.257 23.988) 35.003 12.652 ( -19.176 11.501 -19.378) 29.588 13.873 ( 1.967 21.727 15.864) 26.974 14.257 ( 4.393 10.176 -4.550) 11.981 15.973 ( -0.951 0.150 4.987) 5.079 16.273 ( -2.428 -6.575 -10.700) 12.791 16.547 ( 4.085 -2.684 4.899) 6.920 16.709 ( -2.895 0.218 -3.407) 4.476 16.754 ( 0.665 2.078 2.148) 3.062 16.847 ( -0.192 1.008 -2.321) 2.537 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( 3.202 6.422 20.189) 21.427 3.507 ( -10.606 -18.010 -15.634) 26.101 4.142 ( 8.233 -0.775 7.890) 11.429 4.220 ( -4.138 -2.634 -9.330) 10.541 4.864 ( -15.039 8.942 -14.608) 22.793 5.022 ( 14.450 -15.144 6.305) 21.860 5.640 ( -0.163 4.633 10.890) 11.836 5.874 ( -2.621 -2.827 -6.762) 7.783 6.661 ( -6.411 8.416 5.753) 12.042 6.935 ( 7.441 1.163 -4.166) 8.607 8.006 ( 7.195 3.209 12.580) 14.844 8.106 ( -4.088 7.376 -4.886) 9.746 10.027 ( -0.553 0.049 -1.410) 1.516 10.313 ( -1.206 -19.799 -15.357) 25.086 12.195 ( 11.363 -6.219 16.855) 21.258 12.315 ( -12.001 6.101 -14.472) 19.766 14.153 ( -1.127 14.776 12.215) 19.204 14.365 ( 1.798 2.417 2.918) 4.194 16.006 ( 1.660 1.562 1.748) 2.872 16.125 ( -1.911 -4.233 -7.013) 8.411 16.611 ( 1.432 -2.107 2.279) 3.418 16.635 ( -1.469 -0.248 -2.384) 2.811 16.807 ( 1.547 1.536 2.204) 3.100 16.835 ( -0.810 0.710 -1.397) 1.764 ======================= Grid point 510 (163/189) ======================= q-point: (-0.25 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( -16.363 -14.421 -0.012) 21.811 3.279 ( 11.587 6.241 4.025) 13.763 3.983 ( -16.562 1.065 -9.571) 19.158 4.213 ( 4.195 -4.870 0.038) 6.428 4.641 ( -7.062 15.125 -24.436) 29.593 5.336 ( 22.817 -11.322 17.989) 31.183 5.657 ( -4.977 -2.653 7.039) 9.020 5.790 ( -2.145 -2.069 -1.193) 3.211 6.674 ( -5.641 9.220 3.993) 11.522 7.043 ( 7.094 -1.929 -0.955) 7.413 8.034 ( -5.751 3.739 -3.102) 7.528 8.226 ( 6.315 -1.744 12.116) 13.774 9.985 ( -2.556 -5.836 -7.049) 9.502 10.161 ( 8.364 1.291 -10.581) 13.550 11.902 ( -21.716 11.751 -22.530) 33.425 12.578 ( 18.043 -11.017 21.251) 29.976 14.236 ( -7.294 3.233 8.295) 11.510 14.432 ( 1.326 -1.855 10.546) 10.790 16.032 ( -1.484 -0.971 -2.096) 2.745 16.097 ( 5.264 3.011 -2.365) 6.509 16.535 ( -4.373 0.588 -4.037) 5.980 16.674 ( 3.306 -2.498 2.257) 4.718 16.817 ( -1.226 0.411 -0.513) 1.391 16.860 ( 1.997 0.496 1.675) 2.654 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -0.000 1.459 38.747) 38.775 3.182 ( -0.000 0.502 30.594) 30.598 4.057 ( 0.000 -8.812 -34.878) 35.974 4.366 ( 0.000 -1.424 -6.799) 6.946 4.666 ( 0.000 -21.414 -2.901) 21.610 5.407 ( -0.000 8.211 18.038) 19.819 5.962 ( 0.000 -11.584 -1.351) 11.663 6.160 ( 0.000 -2.896 -14.265) 14.556 6.174 ( 0.000 9.701 -14.116) 17.128 7.023 ( -0.000 7.209 1.482) 7.359 7.504 ( -0.000 12.378 8.248) 14.874 8.206 ( 0.000 15.092 -11.302) 18.855 10.473 ( -0.000 -17.615 21.923) 28.123 10.638 ( 0.000 -25.456 -16.658) 30.422 11.276 ( -0.000 -9.135 14.851) 17.436 13.077 ( 0.000 5.947 -14.068) 15.273 13.768 ( -0.000 22.413 9.997) 24.542 14.164 ( 0.000 20.818 -9.849) 23.030 16.012 ( -0.000 -1.278 7.544) 7.652 16.318 ( 0.000 -7.477 -12.364) 14.449 16.463 ( -0.000 -2.676 5.158) 5.810 16.727 ( -0.000 1.225 2.525) 2.806 16.784 ( 0.000 0.245 -2.175) 2.188 16.842 ( 0.000 2.213 -3.791) 4.390 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -10.175 0.130 29.211) 30.933 3.566 ( 8.249 -4.791 1.465) 9.651 3.847 ( 4.704 -1.200 -0.269) 4.862 4.286 ( -0.062 -7.580 -4.893) 9.022 4.488 ( 7.022 -19.751 -3.285) 21.218 5.570 ( -6.277 5.886 8.443) 12.055 5.698 ( -12.476 1.091 -1.021) 12.565 5.955 ( -3.103 1.767 -16.967) 17.339 6.423 ( 15.637 0.883 -2.819) 15.914 7.024 ( -6.715 7.638 -1.688) 10.309 7.731 ( 6.777 8.279 8.730) 13.809 8.249 ( -2.732 12.450 -11.136) 16.926 10.271 ( -8.037 -15.665 6.004) 18.602 10.345 ( -3.610 -17.469 -4.497) 18.396 11.485 ( 18.523 -10.361 21.260) 30.041 12.928 ( -13.064 8.028 -16.230) 22.328 14.048 ( 5.959 14.551 3.121) 16.031 14.316 ( -0.048 17.657 -5.951) 18.633 16.026 ( -1.419 -1.508 6.266) 6.599 16.173 ( -0.788 -5.777 -9.814) 11.415 16.493 ( 2.530 -2.754 5.346) 6.524 16.734 ( -1.388 0.165 -1.256) 1.879 16.777 ( -0.170 1.302 0.995) 1.647 16.845 ( 0.166 2.062 -3.061) 3.695 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -4.130 -3.064 18.951) 19.637 3.393 ( -4.211 -5.555 -18.894) 20.139 4.062 ( 4.280 -4.045 9.338) 11.039 4.213 ( -1.070 -2.342 0.334) 2.596 4.536 ( 20.227 -15.986 11.468) 28.217 5.276 ( -21.847 10.461 -13.992) 27.973 5.741 ( -0.258 2.306 7.121) 7.489 5.835 ( -1.721 -1.080 -9.964) 10.169 6.668 ( 12.357 -0.792 4.037) 13.024 6.958 ( -7.133 8.224 -5.696) 12.286 7.968 ( 7.796 2.705 8.735) 12.017 8.225 ( -4.802 8.749 -9.589) 13.840 10.069 ( -2.410 -9.957 0.310) 10.249 10.118 ( -5.729 -7.779 -0.494) 9.673 11.868 ( 21.997 -12.595 23.781) 34.757 12.629 ( -18.939 10.548 -20.041) 29.523 14.274 ( 6.703 5.818 1.153) 8.950 14.409 ( -2.463 10.709 -3.684) 11.589 16.024 ( -0.750 -0.708 3.926) 4.060 16.072 ( -0.568 -2.234 -5.445) 5.913 16.548 ( 3.480 -3.211 4.672) 6.652 16.681 ( -3.524 0.940 -2.975) 4.707 16.806 ( 1.071 0.600 1.666) 2.070 16.846 ( -0.378 1.642 -2.018) 2.629 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -5.330 -2.612 -7.209) 9.338 3.178 ( 0.403 -5.922 7.209) 9.338 4.110 ( -5.928 0.489 -9.908) 11.557 4.110 ( 3.387 -4.889 9.908) 11.557 4.932 ( -20.792 16.194 -20.917) 33.646 4.932 ( 24.420 -9.909 20.917) 33.646 5.752 ( 0.156 -3.696 -5.245) 6.418 5.752 ( -3.278 -1.713 5.245) 6.418 6.876 ( -0.684 3.699 -12.246) 12.810 6.876 ( 3.545 1.257 12.246) 12.810 8.146 ( -5.601 4.521 -7.813) 10.623 8.146 ( 6.716 -2.590 7.813) 10.623 10.008 ( 3.197 -2.432 -2.363) 4.660 10.008 ( -3.705 1.552 2.363) 4.660 12.256 ( -21.633 11.637 -23.166) 33.765 12.256 ( 20.895 -12.916 23.166) 33.765 14.394 ( -3.591 1.687 -1.775) 4.347 14.394 ( 3.256 -2.267 1.775) 4.347 16.046 ( 0.846 1.334 -1.241) 2.009 16.046 ( 0.732 1.399 1.241) 2.009 16.601 ( -4.462 1.238 -3.745) 5.956 16.601 ( 3.304 -3.245 3.745) 5.956 16.839 ( -0.979 1.216 -1.036) 1.874 16.839 ( 1.542 -0.240 1.036) 1.874 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 0.000 -4.613 -6.851) 8.259 3.651 ( -0.000 -2.624 33.253) 33.357 3.737 ( -0.000 -2.834 1.418) 3.169 4.056 ( -0.000 -20.011 -1.028) 20.037 4.363 ( 0.000 -0.817 -2.022) 2.180 5.721 ( -0.000 4.027 7.525) 8.535 5.769 ( 0.000 -5.311 -2.884) 6.044 5.978 ( 0.000 1.234 -12.194) 12.256 6.241 ( 0.000 10.540 -8.670) 13.648 7.128 ( 0.000 3.685 -1.959) 4.174 7.793 ( -0.000 7.120 5.942) 9.274 8.315 ( 0.000 11.122 -13.319) 17.352 10.085 ( 0.000 -10.695 -8.262) 13.515 10.388 ( -0.000 -17.973 21.347) 27.906 11.344 ( -0.000 -6.917 18.656) 19.897 13.017 ( 0.000 5.764 -14.636) 15.730 14.089 ( 0.000 11.656 -9.020) 14.738 14.456 ( 0.000 14.058 -5.275) 15.016 16.056 ( -0.000 -2.770 6.035) 6.640 16.083 ( 0.000 -2.679 -6.788) 7.298 16.477 ( -0.000 -2.727 5.413) 6.061 16.742 ( 0.000 -0.049 -0.461) 0.463 16.794 ( -0.000 0.681 0.852) 1.091 16.848 ( 0.000 2.852 -3.441) 4.470 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.059 1.404 -5.622) 5.795 3.398 ( -11.589 -14.629 0.487) 18.670 3.926 ( 11.208 -19.506 5.925) 23.264 4.150 ( 9.726 5.338 24.560) 26.949 4.341 ( -1.226 0.354 1.936) 2.319 5.622 ( -13.731 4.953 -5.383) 15.558 5.742 ( -1.052 -1.003 -6.772) 6.926 5.839 ( -3.740 0.963 -4.824) 6.179 6.452 ( 13.549 4.433 -2.922) 14.552 7.100 ( -4.705 4.046 -3.184) 6.975 7.920 ( 4.845 2.102 4.379) 6.861 8.305 ( -2.692 8.362 -13.548) 16.147 10.003 ( -0.593 -1.070 0.985) 1.571 10.244 ( -9.122 -12.919 15.967) 22.474 11.549 ( 16.642 -9.945 20.936) 28.534 12.875 ( -11.944 7.508 -17.157) 22.213 14.173 ( 6.156 5.376 -10.728) 13.487 14.501 ( -1.564 6.262 -8.821) 10.930 16.045 ( -0.702 -0.730 0.801) 1.291 16.055 ( -0.272 -0.074 1.733) 1.756 16.499 ( 1.901 -3.072 4.955) 6.132 16.724 ( -1.925 0.623 -1.350) 2.433 16.805 ( 0.334 -0.007 0.972) 1.028 16.856 ( -0.062 2.611 -2.727) 3.775 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 0.000 13.593 -5.729) 14.751 3.320 ( -0.000 -32.656 5.384) 33.097 3.616 ( -0.000 -15.806 4.220) 16.359 4.289 ( -0.000 6.287 11.875) 13.436 4.432 ( -0.000 6.499 17.619) 18.779 5.656 ( 0.000 -1.478 -6.034) 6.212 5.751 ( 0.000 -2.971 -2.186) 3.688 5.883 ( 0.000 2.090 -10.728) 10.930 6.341 ( 0.000 8.257 -7.258) 10.994 7.160 ( 0.000 3.327 -1.211) 3.541 7.905 ( -0.000 -0.511 1.424) 1.513 8.310 ( 0.000 6.498 -16.240) 17.492 10.092 ( -0.000 10.729 9.187) 14.125 10.290 ( -0.000 -17.866 20.626) 27.287 11.428 ( -0.000 -8.059 18.671) 20.336 12.949 ( 0.000 6.400 -15.750) 17.000 14.071 ( 0.000 2.137 -16.342) 16.481 14.470 ( 0.000 0.557 -15.287) 15.298 16.052 ( -0.000 -4.250 4.760) 6.381 16.094 ( -0.000 7.042 1.263) 7.155 16.484 ( -0.000 -2.940 4.798) 5.627 16.738 ( 0.000 0.100 -0.308) 0.324 16.805 ( -0.000 -0.322 0.140) 0.351 16.867 ( 0.000 3.177 -3.156) 4.478 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( -0.000 0.000 35.853) 35.853 2.591 ( -0.000 0.000 35.853) 35.853 3.433 ( -0.000 0.000 47.796) 47.796 4.780 ( 0.000 -0.000 -17.592) 17.592 4.780 ( 0.000 -0.000 -17.592) 17.592 6.349 ( 0.000 -0.000 -25.242) 25.242 6.361 ( -0.000 0.000 3.046) 3.046 6.361 ( -0.000 0.000 3.046) 3.046 6.691 ( -0.000 0.000 5.023) 5.023 6.788 ( 0.000 -0.000 -11.299) 11.299 6.788 ( 0.000 -0.000 -11.299) 11.299 7.527 ( 0.000 -0.000 -15.524) 15.524 10.905 ( -0.000 0.000 24.008) 24.008 11.627 ( -0.000 0.000 22.740) 22.740 11.627 ( -0.000 0.000 22.740) 22.740 12.612 ( 0.000 -0.000 -20.011) 20.011 13.273 ( 0.000 -0.000 -18.600) 18.600 13.273 ( 0.000 -0.000 -18.600) 18.600 15.886 ( -0.000 0.000 8.963) 8.963 16.505 ( -0.000 0.000 4.308) 4.308 16.505 ( -0.000 0.000 4.308) 4.308 16.855 ( 0.000 -0.000 -4.044) 4.044 16.855 ( 0.000 -0.000 -4.044) 4.044 16.904 ( 0.000 -0.000 -15.037) 15.037 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -13.042 -7.530 39.202) 41.995 3.028 ( 11.799 6.812 32.234) 34.995 3.921 ( 14.178 8.186 43.278) 46.272 4.586 ( -3.113 -1.797 -16.907) 17.284 4.740 ( 2.969 1.714 -22.628) 22.887 6.080 ( -10.731 -6.196 -12.453) 17.568 6.225 ( -5.187 -2.995 -13.676) 14.930 6.374 ( -4.541 -2.622 0.979) 5.335 6.389 ( -16.103 -9.297 -12.422) 22.361 6.848 ( 4.601 2.657 -5.650) 7.756 6.960 ( 14.457 8.347 8.387) 18.682 7.587 ( 9.860 5.693 -13.949) 18.005 10.745 ( -21.618 -12.481 20.904) 32.560 11.683 ( 5.554 3.207 23.538) 24.396 12.147 ( 9.929 5.733 13.197) 17.482 12.382 ( -1.475 -0.852 -11.410) 11.537 12.855 ( -11.578 -6.684 -21.687) 25.476 13.568 ( 18.518 10.691 -14.372) 25.764 15.934 ( -0.984 -0.568 9.437) 9.505 16.509 ( -0.031 -0.018 4.985) 4.985 16.570 ( 1.354 0.782 3.697) 4.014 16.775 ( -2.888 -1.667 -14.868) 15.237 16.813 ( -1.129 -0.652 -4.556) 4.739 16.843 ( 0.729 0.421 -3.721) 3.815 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -7.595 -4.385 38.111) 39.107 3.502 ( 13.452 7.767 26.623) 30.823 4.436 ( -0.920 -0.531 -16.914) 16.948 4.450 ( 8.460 4.884 11.296) 14.934 4.701 ( 7.257 4.190 1.748) 8.560 5.580 ( -23.584 -13.616 -21.599) 34.758 5.917 ( -11.340 -6.547 -0.525) 13.105 6.173 ( -0.958 -0.553 -15.872) 15.911 6.274 ( -3.192 -1.843 -3.471) 5.062 6.915 ( 2.841 1.640 0.272) 3.292 7.349 ( 13.691 7.905 11.850) 19.757 7.728 ( 8.785 5.072 -11.557) 15.378 10.374 ( -18.843 -10.879 15.135) 26.505 11.853 ( -14.783 -8.535 -23.099) 28.722 11.968 ( 5.156 2.977 19.351) 20.246 12.506 ( -6.742 -3.893 -18.875) 20.417 12.821 ( 18.721 10.809 23.120) 31.652 13.893 ( 15.661 9.042 -8.343) 19.916 15.954 ( -1.911 -1.104 8.365) 8.651 16.550 ( -4.177 -2.411 -9.207) 10.394 16.567 ( 2.113 1.220 5.626) 6.133 16.664 ( 0.459 0.265 -1.652) 1.735 16.748 ( -1.943 -1.122 -4.890) 5.380 16.839 ( 0.629 0.363 -3.033) 3.119 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.638 -0.368 32.331) 32.340 3.931 ( 10.846 6.262 18.133) 22.037 4.336 ( 1.039 0.600 -16.489) 16.533 4.342 ( -5.237 -3.024 -23.420) 24.188 4.868 ( -25.593 -14.776 -21.600) 36.605 5.152 ( 12.923 7.461 31.622) 34.966 5.718 ( -6.660 -3.845 2.945) 8.235 6.061 ( -1.349 -0.779 -12.896) 12.990 6.194 ( -0.930 -0.537 -6.155) 6.248 6.986 ( 2.411 1.392 3.814) 4.722 7.718 ( 11.497 6.638 14.338) 19.540 7.836 ( 6.040 3.487 -8.517) 11.008 10.110 ( -10.082 -5.821 7.556) 13.879 11.341 ( -16.878 -9.744 -24.389) 31.219 11.978 ( -5.908 -3.411 -13.285) 14.934 12.470 ( 5.108 2.949 12.434) 13.762 13.364 ( 15.964 9.217 22.775) 29.300 14.165 ( 10.607 6.124 -1.259) 12.312 15.961 ( -1.035 -0.597 6.043) 6.160 16.364 ( -5.400 -3.118 -11.174) 12.796 16.662 ( 0.709 0.409 1.609) 1.805 16.669 ( 0.027 0.015 -1.098) 1.098 16.693 ( 1.004 0.579 1.838) 2.173 16.832 ( 0.157 0.091 -2.275) 2.282 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 6.978 4.029 23.142) 24.504 3.984 ( -22.427 -12.948 -3.846) 26.181 4.015 ( -11.598 -6.696 -19.212) 23.419 4.252 ( 1.476 0.852 -4.023) 4.369 4.403 ( 4.479 2.586 -22.224) 22.817 5.541 ( 5.547 3.202 21.367) 22.307 5.673 ( -0.234 -0.135 9.221) 9.225 5.949 ( -3.148 -1.818 -6.995) 7.884 6.187 ( 3.470 2.003 -1.684) 4.346 7.073 ( 3.130 1.807 3.467) 5.009 7.896 ( 2.873 1.659 -4.992) 5.994 8.044 ( 8.884 5.129 15.858) 18.887 10.015 ( -0.014 -0.008 -0.993) 0.993 10.802 ( -17.162 -9.909 -23.466) 30.715 11.710 ( -7.074 -4.084 -20.268) 21.852 12.710 ( 6.097 3.520 18.267) 19.576 13.806 ( 10.761 6.213 20.225) 23.737 14.354 ( 4.452 2.570 7.019) 8.700 15.996 ( 2.072 1.196 2.623) 3.550 16.187 ( -4.704 -2.716 -8.265) 9.890 16.575 ( -2.719 -1.570 -5.001) 5.905 16.723 ( 0.701 0.405 1.347) 1.572 16.773 ( 3.328 1.921 4.605) 5.997 16.818 ( -0.335 -0.194 -1.373) 1.427 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( -0.000 -2.115 37.151) 37.212 3.033 ( -0.000 -4.694 36.393) 36.694 4.207 ( -0.000 16.403 37.107) 40.571 4.505 ( 0.000 0.422 -14.424) 14.430 4.547 ( 0.000 -1.402 -29.053) 29.087 5.994 ( -0.000 -24.798 1.741) 24.860 6.019 ( 0.000 2.421 -28.763) 28.865 6.491 ( 0.000 -8.578 -11.588) 14.418 6.563 ( 0.000 -13.441 -5.007) 14.343 6.634 ( -0.000 10.840 2.945) 11.233 6.935 ( -0.000 12.167 8.014) 14.569 7.567 ( 0.000 18.524 -13.276) 22.790 11.008 ( -0.000 -15.016 23.688) 28.046 11.519 ( -0.000 -18.697 21.121) 28.208 12.077 ( 0.000 -25.150 -22.453) 33.715 12.495 ( -0.000 33.247 23.013) 40.434 12.923 ( 0.000 4.073 -19.153) 19.581 13.413 ( 0.000 20.413 -17.763) 27.060 16.000 ( -0.000 -0.886 10.671) 10.707 16.517 ( -0.000 -2.412 4.862) 5.428 16.612 ( -0.000 2.903 4.197) 5.103 16.675 ( 0.000 -3.986 -15.209) 15.723 16.804 ( 0.000 0.746 -4.669) 4.728 16.807 ( 0.000 -0.019 -3.985) 3.985 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -13.153 -2.775 39.309) 41.544 3.457 ( 15.796 0.320 31.152) 34.929 4.304 ( -0.440 -4.907 -30.420) 30.816 4.363 ( 1.117 0.130 -15.136) 15.177 4.733 ( 8.826 13.616 28.655) 32.930 5.707 ( -10.264 -12.361 -10.042) 18.947 5.831 ( -5.872 -12.754 -11.075) 17.883 6.076 ( -8.701 -5.991 -13.777) 17.360 6.576 ( -12.099 9.824 2.061) 15.721 6.701 ( 13.422 -6.574 -3.841) 15.431 7.271 ( 13.494 10.647 10.440) 20.110 7.693 ( 1.607 17.712 -12.034) 21.474 10.723 ( -22.405 -14.667 20.725) 33.862 11.524 ( 3.517 -29.355 -14.208) 32.802 11.875 ( 17.004 -14.579 13.242) 26.020 12.636 ( -18.497 10.987 -17.855) 27.958 13.029 ( 4.675 29.477 18.400) 35.061 13.674 ( 15.026 16.604 -14.134) 26.481 16.036 ( -2.039 -1.537 10.365) 10.675 16.497 ( -1.723 -5.011 -10.920) 12.137 16.560 ( 1.476 -1.974 2.422) 3.456 16.671 ( 0.626 2.418 3.196) 4.056 16.751 ( -2.219 0.299 -4.822) 5.317 16.809 ( 1.178 0.779 -3.652) 3.916 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( -8.711 -0.551 36.801) 37.821 3.889 ( 13.345 2.115 19.813) 23.982 4.048 ( 2.122 -10.499 -31.461) 33.235 4.275 ( -1.059 2.113 -15.914) 16.088 5.176 ( -22.521 -3.623 -8.646) 24.394 5.184 ( 6.477 2.690 18.470) 19.757 5.611 ( 1.191 -16.302 4.927) 17.072 5.924 ( 0.985 -0.535 -16.270) 16.308 6.467 ( -14.136 14.484 -0.283) 20.241 6.849 ( 12.171 -6.253 -0.178) 13.685 7.663 ( 12.744 8.037 12.710) 19.712 7.807 ( 1.337 14.052 -10.194) 17.412 10.349 ( -18.468 -10.472 15.375) 26.213 11.097 ( -1.674 -29.169 -22.926) 37.138 12.166 ( 0.654 1.084 8.127) 8.225 12.333 ( -1.629 0.224 -7.831) 8.002 13.509 ( 5.420 24.893 18.799) 31.661 14.003 ( 14.571 11.623 -8.240) 20.379 16.033 ( -2.975 -1.727 8.845) 9.490 16.323 ( -2.976 -5.243 -11.889) 13.330 16.622 ( 3.706 -1.857 4.953) 6.459 16.677 ( -3.022 0.222 -5.051) 5.890 16.724 ( 0.515 2.567 3.110) 4.066 16.813 ( 0.695 0.777 -2.913) 3.094 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -3.099 1.861 28.781) 29.007 3.745 ( 0.622 -17.708 -26.735) 32.074 4.166 ( 1.068 0.488 -0.822) 1.433 4.190 ( 1.683 3.993 -5.836) 7.269 4.570 ( -28.271 3.185 -15.022) 32.172 5.460 ( 15.670 -18.300 12.790) 27.277 5.645 ( 1.767 2.549 15.576) 15.882 5.855 ( 1.424 -0.883 -10.852) 10.980 6.402 ( -10.246 16.546 -0.500) 19.468 6.986 ( 8.834 -3.884 2.423) 9.949 7.882 ( 0.627 9.508 -7.245) 11.970 8.018 ( 10.862 5.382 13.510) 18.151 10.098 ( -9.976 -5.225 7.927) 13.772 10.647 ( -4.155 -24.073 -20.765) 32.062 11.888 ( -20.003 12.680 -21.528) 32.006 12.591 ( 16.583 -9.470 19.748) 27.471 13.912 ( 4.571 17.258 15.287) 23.504 14.287 ( 10.980 6.535 -0.257) 12.780 16.024 ( -1.628 -0.849 6.219) 6.485 16.163 ( -2.599 -4.158 -8.653) 9.946 16.591 ( -3.580 0.202 -5.106) 6.239 16.689 ( 3.021 -2.034 3.179) 4.834 16.784 ( 1.452 2.370 3.241) 4.270 16.812 ( 0.132 0.596 -2.002) 2.093 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.377 ( -0.000 0.038 34.615) 34.616 3.402 ( -0.000 -2.467 36.596) 36.679 4.010 ( 0.000 -8.791 -37.018) 38.048 4.284 ( 0.000 2.730 -14.484) 14.739 4.915 ( -0.000 2.878 19.693) 19.902 5.565 ( -0.000 -17.189 8.870) 19.343 5.801 ( 0.000 10.124 -27.320) 29.136 6.186 ( 0.000 -7.684 -11.148) 13.540 6.247 ( -0.000 -12.804 -0.451) 12.812 6.874 ( -0.000 9.098 2.432) 9.417 7.305 ( -0.000 13.305 10.094) 16.700 7.797 ( 0.000 18.818 -12.161) 22.406 10.968 ( -0.000 -17.901 23.787) 29.770 11.086 ( 0.000 -30.456 -18.378) 35.571 11.593 ( -0.000 -13.150 16.684) 21.243 12.836 ( 0.000 8.394 -17.879) 19.752 13.353 ( -0.000 26.772 13.574) 30.016 13.645 ( 0.000 24.163 -13.470) 27.664 16.104 ( -0.000 -2.222 10.816) 11.041 16.376 ( 0.000 -6.327 -13.618) 15.016 16.546 ( -0.000 -2.383 5.307) 5.818 16.712 ( -0.000 2.112 3.555) 4.135 16.763 ( 0.000 0.287 -3.284) 3.296 16.772 ( 0.000 1.991 -4.979) 5.362 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.367 ( -11.686 -1.711 35.231) 37.158 3.635 ( 2.848 -9.766 -26.300) 28.199 3.894 ( 10.177 1.901 18.383) 21.097 4.228 ( -0.593 4.096 -13.659) 14.272 4.972 ( 9.175 -21.358 7.680) 24.481 5.521 ( -14.709 2.218 -1.951) 15.003 5.641 ( -8.516 3.351 2.438) 9.471 5.822 ( -2.812 -1.267 -15.465) 15.770 6.478 ( 20.006 -6.905 -1.195) 21.198 6.842 ( -12.002 10.235 0.275) 15.776 7.611 ( 11.085 9.870 10.751) 18.327 7.893 ( -0.540 16.274 -11.977) 20.214 10.663 ( -8.105 -22.571 -1.243) 24.014 10.710 ( -12.584 -19.673 1.943) 23.434 11.851 ( 22.851 -12.896 22.330) 34.454 12.625 ( -18.464 11.401 -19.697) 29.306 13.740 ( 10.883 18.841 4.871) 22.297 13.881 ( 4.599 22.348 -6.098) 23.617 16.120 ( -2.513 -2.839 9.956) 10.653 16.225 ( -0.968 -5.969 -11.817) 13.274 16.578 ( 2.437 -2.455 5.514) 6.509 16.707 ( -2.856 1.026 -4.041) 5.054 16.757 ( 0.331 1.822 2.883) 3.427 16.787 ( 1.339 1.578 -3.518) 4.081 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 3.184 -9.500 -31.837) 33.376 3.379 ( -9.819 -1.993 31.837) 33.376 4.165 ( -2.409 4.112 -12.639) 13.507 4.165 ( 4.765 -0.030 12.639) 13.507 5.026 ( -27.551 3.060 -13.714) 30.927 5.026 ( 16.425 -22.330 13.714) 30.927 5.751 ( 2.335 2.077 -14.619) 14.949 5.751 ( 0.631 3.060 14.619) 14.949 6.736 ( 0.854 4.540 -6.019) 7.587 6.736 ( 3.505 3.009 6.019) 7.587 7.950 ( -1.076 12.452 -10.923) 16.599 7.950 ( 11.322 5.294 10.923) 16.599 10.335 ( -0.324 -20.394 -15.585) 25.669 10.335 ( -17.499 -10.477 15.585) 25.669 12.261 ( -21.581 12.864 -22.769) 33.907 12.261 ( 21.931 -12.258 22.769) 33.907 14.118 ( 11.969 11.472 -10.527) 19.638 14.118 ( 3.950 16.101 10.527) 19.638 16.096 ( -0.762 -4.108 -8.269) 9.265 16.096 ( -3.177 -2.714 8.269) 9.265 16.635 ( -3.879 1.369 -4.502) 6.098 16.635 ( 3.125 -2.674 4.502) 6.098 16.801 ( 0.650 1.459 -2.627) 3.074 16.801 ( 0.939 1.293 2.627) 3.074 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 0.000 -8.433 -30.771) 31.905 3.840 ( -0.000 2.280 34.566) 34.642 3.865 ( -0.000 -0.688 24.603) 24.612 4.202 ( 0.000 4.572 -11.443) 12.322 4.660 ( -0.000 -28.481 3.307) 28.672 5.680 ( 0.000 8.693 -24.863) 26.339 5.698 ( -0.000 2.836 11.189) 11.543 5.947 ( 0.000 -3.648 -6.010) 7.030 6.109 ( -0.000 -1.960 2.963) 3.553 7.030 ( 0.000 5.299 -0.900) 5.375 7.668 ( -0.000 10.215 9.353) 13.850 7.975 ( 0.000 14.825 -13.463) 20.025 10.326 ( 0.000 -20.802 -15.285) 25.814 10.896 ( -0.000 -19.007 23.781) 30.443 11.624 ( -0.000 -9.207 20.891) 22.830 12.783 ( 0.000 7.927 -17.610) 19.312 13.725 ( 0.000 17.687 -14.794) 23.058 14.106 ( -0.000 20.616 3.715) 20.948 16.109 ( 0.000 -4.861 -9.938) 11.063 16.170 ( -0.000 -3.889 9.650) 10.404 16.566 ( -0.000 -2.695 5.729) 6.331 16.731 ( 0.000 0.425 -2.036) 2.080 16.762 ( 0.000 3.111 -4.868) 5.777 16.787 ( -0.000 1.101 2.431) 2.668 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( -0.000 0.000 34.604) 34.604 3.242 ( -0.000 0.000 34.604) 34.604 4.299 ( -0.000 0.000 45.808) 45.808 4.381 ( 0.000 -0.000 -25.550) 25.550 4.381 ( 0.000 -0.000 -25.550) 25.550 5.802 ( 0.000 -0.000 -34.085) 34.085 6.422 ( -0.000 0.000 3.694) 3.694 6.422 ( -0.000 0.000 3.694) 3.694 6.614 ( 0.000 -0.000 -7.605) 7.605 6.614 ( 0.000 -0.000 -7.605) 7.605 6.819 ( -0.000 0.000 8.713) 8.713 7.250 ( 0.000 -0.000 -14.263) 14.263 11.352 ( -0.000 0.000 24.306) 24.306 12.057 ( -0.000 0.000 23.683) 23.683 12.057 ( -0.000 0.000 23.683) 23.683 12.220 ( 0.000 -0.000 -22.354) 22.354 12.903 ( 0.000 -0.000 -21.451) 21.451 12.903 ( 0.000 -0.000 -21.451) 21.451 16.083 ( -0.000 0.000 12.356) 12.356 16.591 ( -0.000 0.000 4.885) 4.885 16.591 ( -0.000 0.000 4.885) 4.885 16.618 ( 0.000 -0.000 -15.740) 15.740 16.774 ( 0.000 -0.000 -4.749) 4.749 16.774 ( 0.000 -0.000 -4.749) 4.749 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.262 ( -10.791 -6.230 38.439) 40.408 3.598 ( 8.090 4.671 29.375) 30.824 4.199 ( -1.317 -0.760 -25.159) 25.205 4.214 ( 0.298 0.172 -29.203) 29.205 4.726 ( 11.594 6.694 39.110) 41.338 5.588 ( -1.819 -1.050 -32.322) 32.390 6.186 ( -18.997 -10.968 -8.987) 23.705 6.213 ( -10.251 -5.919 3.542) 12.356 6.412 ( -7.486 -4.322 2.959) 9.137 6.763 ( 7.737 4.467 -3.905) 9.750 7.130 ( 16.514 9.534 10.134) 21.594 7.334 ( 10.906 6.296 -13.212) 18.252 11.153 ( -24.925 -14.390 23.196) 36.965 11.887 ( -12.705 -7.335 -23.004) 27.284 12.107 ( 3.476 2.007 21.084) 21.463 12.448 ( -10.396 -6.002 -21.162) 24.329 12.650 ( 20.021 11.559 22.112) 31.991 13.269 ( 23.579 13.613 -17.942) 32.606 16.138 ( -2.152 -1.242 12.603) 12.845 16.486 ( -2.885 -1.665 -14.659) 15.032 16.607 ( 0.365 0.211 5.575) 5.591 16.654 ( 1.399 0.807 3.819) 4.146 16.721 ( -1.291 -0.745 -5.341) 5.545 16.771 ( 1.379 0.796 -4.194) 4.486 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( -10.032 -5.792 38.866) 40.555 3.944 ( 7.976 4.605 18.161) 20.363 4.019 ( 0.120 0.069 -25.459) 25.459 4.038 ( 0.708 0.409 -31.355) 31.365 5.232 ( -17.596 -10.159 -16.504) 26.176 5.242 ( 13.190 7.615 33.100) 36.436 5.799 ( -6.010 -3.470 -14.287) 15.883 6.038 ( -7.195 -4.154 3.791) 9.132 6.243 ( -7.357 -4.248 -0.321) 8.502 6.908 ( 6.232 3.598 -1.148) 7.287 7.509 ( 10.713 6.185 -11.799) 17.095 7.571 ( 15.555 8.980 12.204) 21.715 10.705 ( -24.464 -14.124 20.294) 34.782 11.413 ( -15.633 -9.026 -24.290) 30.263 11.962 ( -10.442 -6.028 -19.115) 22.600 12.497 ( 8.229 4.751 17.200) 19.650 13.225 ( 18.728 10.813 19.907) 29.393 13.700 ( 21.877 12.631 -12.068) 27.995 16.140 ( -4.036 -2.330 11.687) 12.582 16.322 ( -3.770 -2.177 -12.767) 13.489 16.650 ( -1.921 -1.109 -5.674) 6.092 16.672 ( 2.092 1.208 5.711) 6.201 16.701 ( 0.868 0.501 3.111) 3.269 16.779 ( 1.330 0.768 -3.460) 3.785 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.604 ( -0.000 -1.331 34.894) 34.920 3.667 ( -0.000 -2.099 32.010) 32.078 3.949 ( 0.000 -7.303 -35.037) 35.790 4.096 ( 0.000 3.928 -23.975) 24.295 4.946 ( -0.000 8.169 36.964) 37.856 5.425 ( 0.000 7.552 -35.539) 36.332 6.056 ( -0.000 -25.067 5.119) 25.584 6.315 ( 0.000 -10.770 -7.455) 13.099 6.478 ( 0.000 -10.939 -4.104) 11.683 6.696 ( -0.000 10.697 3.492) 11.253 7.110 ( -0.000 12.618 10.974) 16.723 7.333 ( 0.000 19.617 -11.950) 22.970 11.450 ( -0.000 -15.295 24.117) 28.558 11.579 ( 0.000 -29.946 -21.366) 36.786 11.997 ( -0.000 -16.375 20.189) 25.995 12.550 ( 0.000 7.023 -20.986) 22.130 12.894 ( -0.000 29.163 18.435) 34.501 13.064 ( 0.000 24.304 -18.222) 30.376 16.224 ( -0.000 -2.075 13.438) 13.597 16.391 ( 0.000 -3.633 -14.635) 15.079 16.620 ( -0.000 -1.792 5.456) 5.743 16.691 ( -0.000 2.293 4.361) 4.927 16.710 ( 0.000 0.763 -5.467) 5.520 16.731 ( 0.000 0.693 -4.243) 4.299 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.642 ( 3.053 -11.412 -37.012) 38.851 3.642 ( -11.409 -3.062 37.012) 38.851 3.988 ( -2.065 7.809 -23.948) 25.273 3.988 ( 7.795 2.116 23.948) 25.273 5.285 ( -4.578 8.490 -28.249) 29.850 5.285 ( 9.641 0.280 28.249) 29.850 5.871 ( -18.142 -9.708 -8.008) 22.080 5.871 ( 0.664 -20.566 8.008) 22.080 6.632 ( 15.937 -7.129 -3.592) 17.825 6.632 ( -14.142 10.238 3.592) 17.825 7.474 ( 2.054 18.287 -11.554) 21.729 7.474 ( 14.810 10.922 11.554) 21.729 11.130 ( -1.037 -30.205 -23.047) 38.008 11.130 ( -25.640 -16.001 23.047) 38.008 12.252 ( -21.258 11.813 -22.146) 32.893 12.252 ( 20.860 -12.503 22.146) 32.893 13.377 ( 20.143 18.540 -17.907) 32.713 13.377 ( 5.985 26.714 17.907) 32.713 16.252 ( -1.271 -4.215 -12.955) 13.682 16.252 ( -3.014 -3.208 12.955) 13.682 16.655 ( -2.589 0.877 -5.476) 6.121 16.655 ( 2.054 -1.804 5.476) 6.121 16.739 ( 1.785 1.142 -3.858) 4.401 16.739 ( 0.096 2.117 3.858) 4.401 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.853 ( 0.000 -0.000 -31.357) 31.357 3.853 ( 0.000 -0.000 -31.357) 31.357 3.853 ( -0.000 0.000 31.357) 31.357 3.853 ( -0.000 0.000 31.357) 31.357 5.104 ( 0.000 -0.000 -41.276) 41.276 5.104 ( -0.000 0.000 41.276) 41.276 6.501 ( 0.000 -0.000 -5.004) 5.004 6.501 ( -0.000 0.000 5.004) 5.004 6.501 ( 0.000 -0.000 -5.004) 5.004 6.501 ( -0.000 0.000 5.004) 5.004 7.008 ( 0.000 -0.000 -11.813) 11.813 7.008 ( -0.000 0.000 11.813) 11.813 11.795 ( 0.000 -0.000 -23.727) 23.727 11.795 ( -0.000 0.000 23.727) 23.727 12.490 ( 0.000 -0.000 -23.206) 23.206 12.490 ( 0.000 -0.000 -23.206) 23.206 12.490 ( -0.000 0.000 23.206) 23.206 12.490 ( -0.000 0.000 23.206) 23.206 16.335 ( 0.000 -0.000 -14.788) 14.788 16.335 ( -0.000 0.000 14.788) 14.788 16.683 ( 0.000 -0.000 -5.047) 5.047 16.683 ( 0.000 -0.000 -5.047) 5.047 16.683 ( -0.000 0.000 5.047) 5.047 16.683 ( -0.000 0.000 5.047) 5.047 =================== 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 3/41472 10.0 2298.514 2298.514 4304.660 0.000 -0.000 0.000 3/41472 20.0 1283.328 1283.328 2197.107 0.000 -0.000 0.000 3/41472 30.0 823.225 823.225 1318.601 0.000 -0.000 0.000 3/41472 40.0 520.690 520.690 814.423 0.000 -0.000 0.000 3/41472 50.0 348.347 348.347 542.138 0.000 -0.000 0.000 3/41472 60.0 248.505 248.505 386.966 0.000 -0.000 0.000 3/41472 70.0 187.073 187.073 291.775 0.000 -0.000 0.000 3/41472 80.0 146.969 146.969 229.581 0.000 -0.000 0.000 3/41472 90.0 119.425 119.425 186.806 0.000 -0.000 0.000 3/41472 100.0 99.694 99.694 156.123 0.000 -0.000 0.000 3/41472 110.0 85.058 85.058 133.336 0.000 -0.000 0.000 3/41472 120.0 73.878 73.878 115.916 0.000 -0.000 0.000 3/41472 130.0 65.128 65.128 102.269 0.000 -0.000 0.000 3/41472 140.0 58.133 58.133 91.350 0.000 -0.000 0.000 3/41472 150.0 52.439 52.439 82.457 0.000 -0.000 0.000 3/41472 160.0 47.730 47.730 75.097 0.000 -0.000 0.000 3/41472 170.0 43.783 43.783 68.922 0.000 -0.000 0.000 3/41472 180.0 40.432 40.432 63.677 0.000 -0.000 0.000 3/41472 190.0 37.556 37.556 59.173 0.000 -0.000 0.000 3/41472 200.0 35.064 35.064 55.268 0.000 -0.000 0.000 3/41472 210.0 32.886 32.886 51.852 0.000 -0.000 0.000 3/41472 220.0 30.966 30.966 48.841 0.000 -0.000 0.000 3/41472 230.0 29.263 29.263 46.167 0.000 -0.000 0.000 3/41472 240.0 27.741 27.741 43.777 0.000 -0.000 0.000 3/41472 250.0 26.374 26.374 41.629 0.000 -0.000 0.000 3/41472 260.0 25.139 25.139 39.688 0.000 -0.000 0.000 3/41472 270.0 24.018 24.018 37.925 0.000 -0.000 0.000 3/41472 280.0 22.996 22.996 36.317 0.000 -0.000 0.000 3/41472 290.0 22.060 22.060 34.844 0.000 -0.000 0.000 3/41472 300.0 21.200 21.200 33.490 0.000 -0.000 0.000 3/41472 310.0 20.406 20.406 32.240 0.000 -0.000 0.000 3/41472 320.0 19.672 19.672 31.083 0.000 -0.000 0.000 3/41472 330.0 18.990 18.990 30.010 0.000 -0.000 0.000 3/41472 340.0 18.356 18.356 29.010 0.000 -0.000 0.000 3/41472 350.0 17.764 17.764 28.077 0.000 -0.000 0.000 3/41472 360.0 17.210 17.210 27.204 0.000 -0.000 0.000 3/41472 370.0 16.691 16.691 26.385 0.000 -0.000 0.000 3/41472 380.0 16.203 16.203 25.616 0.000 -0.000 0.000 3/41472 390.0 15.744 15.744 24.891 0.000 -0.000 0.000 3/41472 400.0 15.310 15.310 24.208 0.000 -0.000 0.000 3/41472 410.0 14.901 14.901 23.562 0.000 -0.000 0.000 3/41472 420.0 14.514 14.514 22.951 0.000 -0.000 0.000 3/41472 430.0 14.147 14.147 22.372 0.000 -0.000 0.000 3/41472 440.0 13.798 13.798 21.822 0.000 -0.000 0.000 3/41472 450.0 13.467 13.467 21.299 0.000 -0.000 0.000 3/41472 460.0 13.152 13.152 20.801 0.000 -0.000 0.000 3/41472 470.0 12.851 12.851 20.327 0.000 -0.000 0.000 3/41472 480.0 12.565 12.565 19.874 0.000 -0.000 0.000 3/41472 490.0 12.291 12.291 19.441 0.000 -0.000 0.000 3/41472 500.0 12.029 12.029 19.027 0.000 -0.000 0.000 3/41472 510.0 11.778 11.778 18.631 0.000 -0.000 0.000 3/41472 520.0 11.538 11.538 18.252 0.000 -0.000 0.000 3/41472 530.0 11.307 11.307 17.888 0.000 -0.000 0.000 3/41472 540.0 11.086 11.086 17.538 0.000 -0.000 0.000 3/41472 550.0 10.873 10.873 17.202 0.000 -0.000 0.000 3/41472 560.0 10.669 10.669 16.879 0.000 -0.000 0.000 3/41472 570.0 10.472 10.472 16.569 0.000 -0.000 0.000 3/41472 580.0 10.283 10.283 16.269 0.000 -0.000 0.000 3/41472 590.0 10.100 10.100 15.981 0.000 -0.000 0.000 3/41472 600.0 9.924 9.924 15.702 0.000 -0.000 0.000 3/41472 610.0 9.754 9.754 15.434 0.000 -0.000 0.000 3/41472 620.0 9.590 9.590 15.174 0.000 -0.000 0.000 3/41472 630.0 9.432 9.432 14.924 0.000 -0.000 0.000 3/41472 640.0 9.278 9.278 14.681 0.000 -0.000 0.000 3/41472 650.0 9.130 9.130 14.447 0.000 -0.000 0.000 3/41472 660.0 8.986 8.986 14.220 0.000 -0.000 0.000 3/41472 670.0 8.847 8.847 14.000 0.000 -0.000 0.000 3/41472 680.0 8.712 8.712 13.787 0.000 -0.000 0.000 3/41472 690.0 8.582 8.582 13.580 0.000 -0.000 0.000 3/41472 700.0 8.455 8.455 13.380 0.000 -0.000 0.000 3/41472 710.0 8.332 8.332 13.185 0.000 -0.000 0.000 3/41472 720.0 8.213 8.213 12.996 0.000 -0.000 0.000 3/41472 730.0 8.097 8.097 12.813 0.000 -0.000 0.000 3/41472 740.0 7.984 7.984 12.635 0.000 -0.000 0.000 3/41472 750.0 7.874 7.874 12.461 0.000 -0.000 0.000 3/41472 760.0 7.768 7.768 12.293 0.000 -0.000 0.000 3/41472 770.0 7.664 7.664 12.129 0.000 -0.000 0.000 3/41472 780.0 7.563 7.563 11.969 0.000 -0.000 0.000 3/41472 790.0 7.465 7.465 11.813 0.000 -0.000 0.000 3/41472 800.0 7.369 7.369 11.662 0.000 -0.000 0.000 3/41472 810.0 7.276 7.276 11.514 0.000 -0.000 0.000 3/41472 820.0 7.185 7.185 11.371 0.000 -0.000 0.000 3/41472 830.0 7.096 7.096 11.230 0.000 -0.000 0.000 3/41472 840.0 7.010 7.010 11.094 0.000 -0.000 0.000 3/41472 850.0 6.925 6.925 10.960 0.000 -0.000 0.000 3/41472 860.0 6.843 6.843 10.830 0.000 -0.000 0.000 3/41472 870.0 6.762 6.762 10.703 0.000 -0.000 0.000 3/41472 880.0 6.684 6.684 10.579 0.000 -0.000 0.000 3/41472 890.0 6.607 6.607 10.457 0.000 -0.000 0.000 3/41472 900.0 6.532 6.532 10.339 0.000 -0.000 0.000 3/41472 910.0 6.459 6.459 10.223 0.000 -0.000 0.000 3/41472 920.0 6.387 6.387 10.110 0.000 -0.000 0.000 3/41472 930.0 6.317 6.317 9.999 0.000 -0.000 0.000 3/41472 940.0 6.249 6.249 9.890 0.000 -0.000 0.000 3/41472 950.0 6.182 6.182 9.785 0.000 -0.000 0.000 3/41472 960.0 6.116 6.116 9.681 0.000 -0.000 0.000 3/41472 970.0 6.052 6.052 9.579 0.000 -0.000 0.000 3/41472 980.0 5.989 5.989 9.480 0.000 -0.000 0.000 3/41472 990.0 5.928 5.928 9.382 0.000 -0.000 0.000 3/41472 1000.0 5.868 5.868 9.287 0.000 -0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:04:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|