----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:07:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.959530320000000 4.903706880000000 2.820679070000000 b 2.959530320000000 -4.903706880000000 2.820679070000000 c 2.959530320000000 4.903706880000000 -2.820679070000000 Atomic positions (fractional): *1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 2 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 *3 O 0.90392220609798 0.31912415459597 0.22304636069395 15.999 4 O 0.40392220609798 0.18087584540403 0.58479805150201 15.999 5 O 0.09607779390202 0.68087584540403 0.77695363930605 15.999 6 O 0.59607779390202 0.81912415459597 0.41520194849799 15.999 *7 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 8 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 9 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 *10 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.919060640000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.807413759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.641358140000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.00000000000000 0.75000000000000 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.25000000000000 6.941 > 2 3 Li 0.00000000000000 0.50000000000000 0.25000000000000 6.941 > 1 4 Li 0.00000000000000 0.50000000000000 0.75000000000000 6.941 > 2 *5 O 0.81912415459597 0.40392220609798 0.50000000000000 15.999 > 3 6 O 0.18087584540403 0.40392220609798 0.00000000000000 15.999 > 4 7 O 0.68087584540403 0.09607779390202 0.00000000000000 15.999 > 5 8 O 0.31912415459597 0.09607779390202 0.50000000000000 15.999 > 6 9 O 0.31912415459597 0.90392220609798 0.00000000000000 15.999 > 3 10 O 0.68087584540403 0.90392220609798 0.50000000000000 15.999 > 4 11 O 0.18087584540403 0.59607779390202 0.50000000000000 15.999 > 5 12 O 0.81912415459597 0.59607779390202 0.00000000000000 15.999 > 6 *13 Ag 0.75000000000000 0.25000000000000 0.25000000000000 107.868 > 7 14 Ag 0.25000000000000 0.25000000000000 0.75000000000000 107.868 > 8 15 Ag 0.75000000000000 0.25000000000000 0.75000000000000 107.868 > 9 *16 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 10 17 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 11 18 Ag 0.25000000000000 0.25000000000000 0.25000000000000 107.868 > 12 19 Ag 0.25000000000000 0.75000000000000 0.75000000000000 107.868 > 7 20 Ag 0.75000000000000 0.75000000000000 0.25000000000000 107.868 > 8 21 Ag 0.25000000000000 0.75000000000000 0.25000000000000 107.868 > 9 22 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 10 23 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 11 24 Ag 0.75000000000000 0.75000000000000 0.75000000000000 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.838121279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.807413759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282716280000001 Atomic positions (fractional): *1 Li 0.25000000000000 0.00000000000000 0.37500000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.37500000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.87500000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.87500000000000 6.941 > 1 5 Li 0.25000000000000 0.00000000000000 0.12500000000000 6.941 > 2 6 Li 0.75000000000000 0.00000000000000 0.12500000000000 6.941 > 2 7 Li 0.25000000000000 0.00000000000000 0.62500000000000 6.941 > 2 8 Li 0.75000000000000 0.00000000000000 0.62500000000000 6.941 > 2 9 Li 0.00000000000000 0.50000000000000 0.12500000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.12500000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.62500000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.37500000000000 6.941 > 2 14 Li 0.50000000000000 0.50000000000000 0.37500000000000 6.941 > 2 15 Li 0.00000000000000 0.50000000000000 0.87500000000000 6.941 > 2 16 Li 0.50000000000000 0.50000000000000 0.87500000000000 6.941 > 2 *17 O 0.40956207729798 0.40392220609798 0.25000000000000 15.999 > 3 18 O 0.90956207729798 0.40392220609798 0.25000000000000 15.999 > 3 19 O 0.40956207729798 0.40392220609798 0.75000000000000 15.999 > 3 20 O 0.90956207729798 0.40392220609798 0.75000000000000 15.999 > 3 21 O 0.09043792270202 0.40392220609798 0.00000000000000 15.999 > 4 22 O 0.59043792270202 0.40392220609798 0.00000000000000 15.999 > 4 23 O 0.09043792270202 0.40392220609798 0.50000000000000 15.999 > 4 24 O 0.59043792270202 0.40392220609798 0.50000000000000 15.999 > 4 25 O 0.34043792270202 0.09607779390202 0.00000000000000 15.999 > 5 26 O 0.84043792270202 0.09607779390202 0.00000000000000 15.999 > 5 27 O 0.34043792270202 0.09607779390202 0.50000000000000 15.999 > 5 28 O 0.84043792270202 0.09607779390202 0.50000000000000 15.999 > 5 29 O 0.15956207729798 0.09607779390202 0.25000000000000 15.999 > 6 30 O 0.65956207729798 0.09607779390202 0.25000000000000 15.999 > 6 31 O 0.15956207729798 0.09607779390202 0.75000000000000 15.999 > 6 32 O 0.65956207729798 0.09607779390202 0.75000000000000 15.999 > 6 33 O 0.15956207729798 0.90392220609798 0.00000000000000 15.999 > 3 34 O 0.65956207729798 0.90392220609798 0.00000000000000 15.999 > 3 35 O 0.15956207729798 0.90392220609798 0.50000000000000 15.999 > 3 36 O 0.65956207729798 0.90392220609798 0.50000000000000 15.999 > 3 37 O 0.34043792270202 0.90392220609798 0.25000000000000 15.999 > 4 38 O 0.84043792270202 0.90392220609798 0.25000000000000 15.999 > 4 39 O 0.34043792270202 0.90392220609798 0.75000000000000 15.999 > 4 40 O 0.84043792270202 0.90392220609798 0.75000000000000 15.999 > 4 41 O 0.09043792270202 0.59607779390202 0.25000000000000 15.999 > 5 42 O 0.59043792270202 0.59607779390202 0.25000000000000 15.999 > 5 43 O 0.09043792270202 0.59607779390202 0.75000000000000 15.999 > 5 44 O 0.59043792270202 0.59607779390202 0.75000000000000 15.999 > 5 45 O 0.40956207729798 0.59607779390202 0.00000000000000 15.999 > 6 46 O 0.90956207729798 0.59607779390202 0.00000000000000 15.999 > 6 47 O 0.40956207729798 0.59607779390202 0.50000000000000 15.999 > 6 48 O 0.90956207729798 0.59607779390202 0.50000000000000 15.999 > 6 *49 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 7 50 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 7 51 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 7 52 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 7 53 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 8 54 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 8 55 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 8 56 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 8 57 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 9 58 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 9 59 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 9 60 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 9 *61 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 10 62 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 10 63 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 10 64 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 10 65 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 11 66 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 11 67 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 11 68 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 11 69 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 12 70 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 12 71 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 12 72 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 12 73 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 7 74 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 7 75 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 7 76 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 7 77 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 8 78 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 8 79 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 8 80 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 8 81 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 9 82 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 9 83 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 9 84 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 9 85 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 10 86 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 10 87 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 10 88 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 10 89 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 11 90 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 11 91 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 11 92 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 11 93 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 12 94 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 12 95 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 12 96 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6209374 0.0000000 0.0000000 0.0000000 8.3563565 0.0000000 0.0000000 0.0000000 8.7878554 -------------------------- Born effective charges -------------------------- 1 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 2 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 3 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 4 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 5 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 6 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 7 Ag 0.5190015 -0.0595163 -0.0999193 0.1525281 0.9432002 0.6634236 0.0815183 0.7701765 1.2721758 8 Ag 0.5190015 0.0595163 0.0999193 -0.1525281 0.9432002 0.6634236 -0.0815183 0.7701765 1.2721758 9 Ag 0.5190015 -0.0595163 0.0999193 0.1525281 0.9432002 -0.6634236 -0.0815183 -0.7701765 1.2721758 10 Ag 1.3998423 0.4850221 0.0000000 0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 11 Ag 1.3998423 -0.4850221 0.0000000 -0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 12 Ag 0.5190015 0.0595163 -0.0999193 -0.1525281 0.9432002 -0.6634236 0.0815183 -0.7701765 1.2721758 ---------------------------------------------------------------------------- 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: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 766 Number of blocks in projector: 766 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 116 Use standard eigh solver. Tree of FC basis block matrices: - (766, 744), data: False |-- (116, 112), data: True |-- (116, 112), data: True |-- (116, 112), data: True |-- (122, 120), data: True |-- (124, 122), data: True |-- (172, 166), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 240 - Time: 0.623 Solver_block: 200 / 240 - Time: 0.622 Solver_block: 240 / 240 - Time: 0.367 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.724 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zy) -0.00000000 (zy) Permutation basis: 288/288 Permutation basis: 6336/6336 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 766 Number of blocks in projector: 766 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 124 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 122 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 116 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 116 Use standard eigh solver. Tree of FC basis block matrices: - (766, 744), data: False |-- (116, 112), data: True |-- (116, 112), data: True |-- (116, 112), data: True |-- (122, 120), data: True |-- (124, 122), data: True |-- (172, 166), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) 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 2026-01-08 06:07:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.959530320000000 4.903706880000000 2.820679070000000 b 2.959530320000000 -4.903706880000000 2.820679070000000 c 2.959530320000000 4.903706880000000 -2.820679070000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 2 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 3 O 0.90392220609798 0.31912415459597 0.22304636069395 15.999 4 O 0.40392220609798 0.18087584540403 0.58479805150201 15.999 5 O 0.09607779390202 0.68087584540403 0.77695363930605 15.999 6 O 0.59607779390202 0.81912415459597 0.41520194849799 15.999 7 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 8 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 9 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 10 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.838121279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.807413759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282716280000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.37500000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.37500000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.87500000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.87500000000000 6.941 > 1 5 Li 0.25000000000000 0.00000000000000 0.12500000000000 6.941 > 5 6 Li 0.75000000000000 0.00000000000000 0.12500000000000 6.941 > 5 7 Li 0.25000000000000 0.00000000000000 0.62500000000000 6.941 > 5 8 Li 0.75000000000000 0.00000000000000 0.62500000000000 6.941 > 5 9 Li 0.00000000000000 0.50000000000000 0.12500000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.12500000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.62500000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.37500000000000 6.941 > 5 14 Li 0.50000000000000 0.50000000000000 0.37500000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.87500000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.87500000000000 6.941 > 5 17 O 0.40956207729798 0.40392220609798 0.25000000000000 15.999 > 17 18 O 0.90956207729798 0.40392220609798 0.25000000000000 15.999 > 17 19 O 0.40956207729798 0.40392220609798 0.75000000000000 15.999 > 17 20 O 0.90956207729798 0.40392220609798 0.75000000000000 15.999 > 17 21 O 0.09043792270202 0.40392220609798 0.00000000000000 15.999 > 21 22 O 0.59043792270202 0.40392220609798 0.00000000000000 15.999 > 21 23 O 0.09043792270202 0.40392220609798 0.50000000000000 15.999 > 21 24 O 0.59043792270202 0.40392220609798 0.50000000000000 15.999 > 21 25 O 0.34043792270202 0.09607779390202 0.00000000000000 15.999 > 25 26 O 0.84043792270202 0.09607779390202 0.00000000000000 15.999 > 25 27 O 0.34043792270202 0.09607779390202 0.50000000000000 15.999 > 25 28 O 0.84043792270202 0.09607779390202 0.50000000000000 15.999 > 25 29 O 0.15956207729798 0.09607779390202 0.25000000000000 15.999 > 29 30 O 0.65956207729798 0.09607779390202 0.25000000000000 15.999 > 29 31 O 0.15956207729798 0.09607779390202 0.75000000000000 15.999 > 29 32 O 0.65956207729798 0.09607779390202 0.75000000000000 15.999 > 29 33 O 0.15956207729798 0.90392220609798 0.00000000000000 15.999 > 17 34 O 0.65956207729798 0.90392220609798 0.00000000000000 15.999 > 17 35 O 0.15956207729798 0.90392220609798 0.50000000000000 15.999 > 17 36 O 0.65956207729798 0.90392220609798 0.50000000000000 15.999 > 17 37 O 0.34043792270202 0.90392220609798 0.25000000000000 15.999 > 21 38 O 0.84043792270202 0.90392220609798 0.25000000000000 15.999 > 21 39 O 0.34043792270202 0.90392220609798 0.75000000000000 15.999 > 21 40 O 0.84043792270202 0.90392220609798 0.75000000000000 15.999 > 21 41 O 0.09043792270202 0.59607779390202 0.25000000000000 15.999 > 25 42 O 0.59043792270202 0.59607779390202 0.25000000000000 15.999 > 25 43 O 0.09043792270202 0.59607779390202 0.75000000000000 15.999 > 25 44 O 0.59043792270202 0.59607779390202 0.75000000000000 15.999 > 25 45 O 0.40956207729798 0.59607779390202 0.00000000000000 15.999 > 29 46 O 0.90956207729798 0.59607779390202 0.00000000000000 15.999 > 29 47 O 0.40956207729798 0.59607779390202 0.50000000000000 15.999 > 29 48 O 0.90956207729798 0.59607779390202 0.50000000000000 15.999 > 29 49 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 49 50 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 49 51 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 49 52 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 49 53 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 53 54 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 53 55 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 53 56 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 53 57 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 57 58 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 57 59 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 57 60 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 57 61 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 61 62 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 61 63 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 61 64 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 61 65 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 65 66 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 65 67 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 65 68 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 65 69 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 69 70 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 69 71 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 69 72 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 69 73 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 49 74 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 49 75 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 49 76 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 49 77 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 53 78 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 53 79 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 53 80 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 53 81 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 57 82 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 57 83 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 57 84 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 57 85 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 61 86 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 61 87 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 61 88 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 61 89 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 65 90 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 65 91 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 65 92 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 65 93 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 69 94 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 69 95 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 69 96 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.6209374 0.0000000 0.0000000 0.0000000 8.3563565 0.0000000 0.0000000 0.0000000 8.7878554 -------------------------- Born effective charges -------------------------- 1 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 2 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 3 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 4 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 5 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 6 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 7 Ag 0.5190015 -0.0595163 -0.0999193 0.1525281 0.9432002 0.6634236 0.0815183 0.7701765 1.2721758 8 Ag 0.5190015 0.0595163 0.0999193 -0.1525281 0.9432002 0.6634236 -0.0815183 0.7701765 1.2721758 9 Ag 0.5190015 -0.0595163 0.0999193 0.1525281 0.9432002 -0.6634236 -0.0815183 -0.7701765 1.2721758 10 Ag 1.3998423 0.4850221 0.0000000 0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 11 Ag 1.3998423 -0.4850221 0.0000000 -0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 12 Ag 0.5190015 0.0595163 -0.0999193 -0.1525281 0.9432002 -0.6634236 0.0815183 -0.7701765 1.2721758 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 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: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (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 2026-01-08 06:07:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:07:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ibam (72) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.959530320000000 4.903706880000000 2.820679070000000 b 2.959530320000000 -4.903706880000000 2.820679070000000 c 2.959530320000000 4.903706880000000 -2.820679070000000 Atomic positions (fractional): 1 Li 0.75000000000000 0.25000000000000 0.50000000000000 6.941 2 Li 0.25000000000000 0.75000000000000 0.50000000000000 6.941 3 O 0.90392220609798 0.31912415459597 0.22304636069395 15.999 4 O 0.40392220609798 0.18087584540403 0.58479805150201 15.999 5 O 0.09607779390202 0.68087584540403 0.77695363930605 15.999 6 O 0.59607779390202 0.81912415459597 0.41520194849799 15.999 7 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 8 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 9 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 10 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 11 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 12 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.838121279999999 0.000000000000000 0.000000000000000 b 0.000000000000000 9.807413759999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.282716280000001 Atomic positions (fractional): 1 Li 0.25000000000000 0.00000000000000 0.37500000000000 6.941 > 1 2 Li 0.75000000000000 0.00000000000000 0.37500000000000 6.941 > 1 3 Li 0.25000000000000 0.00000000000000 0.87500000000000 6.941 > 1 4 Li 0.75000000000000 0.00000000000000 0.87500000000000 6.941 > 1 5 Li 0.25000000000000 0.00000000000000 0.12500000000000 6.941 > 5 6 Li 0.75000000000000 0.00000000000000 0.12500000000000 6.941 > 5 7 Li 0.25000000000000 0.00000000000000 0.62500000000000 6.941 > 5 8 Li 0.75000000000000 0.00000000000000 0.62500000000000 6.941 > 5 9 Li 0.00000000000000 0.50000000000000 0.12500000000000 6.941 > 1 10 Li 0.50000000000000 0.50000000000000 0.12500000000000 6.941 > 1 11 Li 0.00000000000000 0.50000000000000 0.62500000000000 6.941 > 1 12 Li 0.50000000000000 0.50000000000000 0.62500000000000 6.941 > 1 13 Li 0.00000000000000 0.50000000000000 0.37500000000000 6.941 > 5 14 Li 0.50000000000000 0.50000000000000 0.37500000000000 6.941 > 5 15 Li 0.00000000000000 0.50000000000000 0.87500000000000 6.941 > 5 16 Li 0.50000000000000 0.50000000000000 0.87500000000000 6.941 > 5 17 O 0.40956207729798 0.40392220609798 0.25000000000000 15.999 > 17 18 O 0.90956207729798 0.40392220609798 0.25000000000000 15.999 > 17 19 O 0.40956207729798 0.40392220609798 0.75000000000000 15.999 > 17 20 O 0.90956207729798 0.40392220609798 0.75000000000000 15.999 > 17 21 O 0.09043792270202 0.40392220609798 0.00000000000000 15.999 > 21 22 O 0.59043792270202 0.40392220609798 0.00000000000000 15.999 > 21 23 O 0.09043792270202 0.40392220609798 0.50000000000000 15.999 > 21 24 O 0.59043792270202 0.40392220609798 0.50000000000000 15.999 > 21 25 O 0.34043792270202 0.09607779390202 0.00000000000000 15.999 > 25 26 O 0.84043792270202 0.09607779390202 0.00000000000000 15.999 > 25 27 O 0.34043792270202 0.09607779390202 0.50000000000000 15.999 > 25 28 O 0.84043792270202 0.09607779390202 0.50000000000000 15.999 > 25 29 O 0.15956207729798 0.09607779390202 0.25000000000000 15.999 > 29 30 O 0.65956207729798 0.09607779390202 0.25000000000000 15.999 > 29 31 O 0.15956207729798 0.09607779390202 0.75000000000000 15.999 > 29 32 O 0.65956207729798 0.09607779390202 0.75000000000000 15.999 > 29 33 O 0.15956207729798 0.90392220609798 0.00000000000000 15.999 > 17 34 O 0.65956207729798 0.90392220609798 0.00000000000000 15.999 > 17 35 O 0.15956207729798 0.90392220609798 0.50000000000000 15.999 > 17 36 O 0.65956207729798 0.90392220609798 0.50000000000000 15.999 > 17 37 O 0.34043792270202 0.90392220609798 0.25000000000000 15.999 > 21 38 O 0.84043792270202 0.90392220609798 0.25000000000000 15.999 > 21 39 O 0.34043792270202 0.90392220609798 0.75000000000000 15.999 > 21 40 O 0.84043792270202 0.90392220609798 0.75000000000000 15.999 > 21 41 O 0.09043792270202 0.59607779390202 0.25000000000000 15.999 > 25 42 O 0.59043792270202 0.59607779390202 0.25000000000000 15.999 > 25 43 O 0.09043792270202 0.59607779390202 0.75000000000000 15.999 > 25 44 O 0.59043792270202 0.59607779390202 0.75000000000000 15.999 > 25 45 O 0.40956207729798 0.59607779390202 0.00000000000000 15.999 > 29 46 O 0.90956207729798 0.59607779390202 0.00000000000000 15.999 > 29 47 O 0.40956207729798 0.59607779390202 0.50000000000000 15.999 > 29 48 O 0.90956207729798 0.59607779390202 0.50000000000000 15.999 > 29 49 Ag 0.37500000000000 0.25000000000000 0.12500000000000 107.868 > 49 50 Ag 0.87500000000000 0.25000000000000 0.12500000000000 107.868 > 49 51 Ag 0.37500000000000 0.25000000000000 0.62500000000000 107.868 > 49 52 Ag 0.87500000000000 0.25000000000000 0.62500000000000 107.868 > 49 53 Ag 0.12500000000000 0.25000000000000 0.37500000000000 107.868 > 53 54 Ag 0.62500000000000 0.25000000000000 0.37500000000000 107.868 > 53 55 Ag 0.12500000000000 0.25000000000000 0.87500000000000 107.868 > 53 56 Ag 0.62500000000000 0.25000000000000 0.87500000000000 107.868 > 53 57 Ag 0.37500000000000 0.25000000000000 0.37500000000000 107.868 > 57 58 Ag 0.87500000000000 0.25000000000000 0.37500000000000 107.868 > 57 59 Ag 0.37500000000000 0.25000000000000 0.87500000000000 107.868 > 57 60 Ag 0.87500000000000 0.25000000000000 0.87500000000000 107.868 > 57 61 Ag 0.00000000000000 0.00000000000000 0.25000000000000 107.868 > 61 62 Ag 0.50000000000000 0.00000000000000 0.25000000000000 107.868 > 61 63 Ag 0.00000000000000 0.00000000000000 0.75000000000000 107.868 > 61 64 Ag 0.50000000000000 0.00000000000000 0.75000000000000 107.868 > 61 65 Ag 0.00000000000000 0.00000000000000 0.00000000000000 107.868 > 65 66 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 65 67 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 65 68 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 65 69 Ag 0.12500000000000 0.25000000000000 0.12500000000000 107.868 > 69 70 Ag 0.62500000000000 0.25000000000000 0.12500000000000 107.868 > 69 71 Ag 0.12500000000000 0.25000000000000 0.62500000000000 107.868 > 69 72 Ag 0.62500000000000 0.25000000000000 0.62500000000000 107.868 > 69 73 Ag 0.12500000000000 0.75000000000000 0.37500000000000 107.868 > 49 74 Ag 0.62500000000000 0.75000000000000 0.37500000000000 107.868 > 49 75 Ag 0.12500000000000 0.75000000000000 0.87500000000000 107.868 > 49 76 Ag 0.62500000000000 0.75000000000000 0.87500000000000 107.868 > 49 77 Ag 0.37500000000000 0.75000000000000 0.12500000000000 107.868 > 53 78 Ag 0.87500000000000 0.75000000000000 0.12500000000000 107.868 > 53 79 Ag 0.37500000000000 0.75000000000000 0.62500000000000 107.868 > 53 80 Ag 0.87500000000000 0.75000000000000 0.62500000000000 107.868 > 53 81 Ag 0.12500000000000 0.75000000000000 0.12500000000000 107.868 > 57 82 Ag 0.62500000000000 0.75000000000000 0.12500000000000 107.868 > 57 83 Ag 0.12500000000000 0.75000000000000 0.62500000000000 107.868 > 57 84 Ag 0.62500000000000 0.75000000000000 0.62500000000000 107.868 > 57 85 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 61 86 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 61 87 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 61 88 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 61 89 Ag 0.25000000000000 0.50000000000000 0.25000000000000 107.868 > 65 90 Ag 0.75000000000000 0.50000000000000 0.25000000000000 107.868 > 65 91 Ag 0.25000000000000 0.50000000000000 0.75000000000000 107.868 > 65 92 Ag 0.75000000000000 0.50000000000000 0.75000000000000 107.868 > 65 93 Ag 0.37500000000000 0.75000000000000 0.37500000000000 107.868 > 69 94 Ag 0.87500000000000 0.75000000000000 0.37500000000000 107.868 > 69 95 Ag 0.37500000000000 0.75000000000000 0.87500000000000 107.868 > 69 96 Ag 0.87500000000000 0.75000000000000 0.87500000000000 107.868 > 69 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.6209374 0.0000000 0.0000000 0.0000000 8.3563565 0.0000000 0.0000000 0.0000000 8.7878554 -------------------------- Born effective charges -------------------------- 1 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 2 Li 1.2423247 -0.0000000 0.0000000 0.0000000 1.2249867 0.0000000 0.0000000 0.0000000 1.0943149 3 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 4 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 5 O -1.8400850 0.2953713 0.0000000 0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 6 O -1.8400850 -0.2953713 0.0000000 -0.2151288 -1.9884460 0.0000000 0.0000000 0.0000000 -2.1237282 7 Ag 0.5190015 -0.0595163 -0.0999193 0.1525281 0.9432002 0.6634236 0.0815183 0.7701765 1.2721758 8 Ag 0.5190015 0.0595163 0.0999193 -0.1525281 0.9432002 0.6634236 -0.0815183 0.7701765 1.2721758 9 Ag 0.5190015 -0.0595163 0.0999193 0.1525281 0.9432002 -0.6634236 -0.0815183 -0.7701765 1.2721758 10 Ag 1.3998423 0.4850221 0.0000000 0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 11 Ag 1.3998423 -0.4850221 0.0000000 -0.9080122 0.8655049 0.0000000 0.0000000 0.0000000 0.6087899 12 Ag 0.5190015 0.0595163 -0.0999193 -0.1525281 0.9432002 -0.6634236 0.0815183 -0.7701765 1.2721758 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- 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 ... Generalized regular grid: [ 1 1 720 ] Grid generation matrix: [ 0 8 8 ] [ 5 0 5 ] [ 9 9 0 ] 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: 0.76, Number of G-points: 291, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/135) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 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 1.401 ( 0.000 0.000 0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.415 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.694 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.932 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.772 ( 0.000 0.000 0.000) 0.000 11.873 ( 0.000 0.000 0.000) 0.000 12.044 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.058 ( 0.000 0.000 0.000) 0.000 13.104 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.418 ( 0.000 0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/135) ======================= q-point: ( 0.60 -0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -4.092 4.621 2.839) 6.794 1.649 ( 2.146 2.108 11.742) 12.122 1.752 ( -4.956 2.636 10.642) 12.032 1.823 ( -0.010 -3.414 3.312) 4.757 1.862 ( -0.323 -1.159 17.826) 17.867 1.930 ( -6.600 3.391 1.055) 7.495 2.090 ( -0.956 -1.300 1.291) 2.067 2.282 ( 4.653 -1.171 12.593) 13.476 2.401 ( -2.868 1.748 2.174) 4.001 2.451 ( -4.184 -3.203 -0.010) 5.270 2.776 ( 3.114 0.441 6.739) 7.437 2.967 ( 5.903 1.336 -1.511) 6.238 3.150 ( 1.740 -6.246 -4.068) 7.654 3.224 ( -0.308 1.198 -3.044) 3.286 3.354 ( -3.397 -0.282 1.350) 3.666 4.222 ( 1.282 2.170 -12.778) 13.024 4.363 ( 0.117 -0.153 -11.271) 11.273 4.661 ( -3.550 -1.785 -13.517) 14.089 7.923 ( -3.021 -4.550 27.708) 28.241 9.238 ( 10.566 5.155 -3.371) 12.230 9.794 ( 3.793 -0.495 -8.152) 9.005 9.988 ( 4.369 2.505 6.925) 8.562 10.494 ( -3.725 1.464 5.492) 6.796 11.158 ( -0.694 -2.864 -17.803) 18.045 11.228 ( -2.820 -8.451 6.785) 11.199 11.761 ( -0.852 4.079 -0.611) 4.211 12.145 ( -3.102 -1.191 -2.809) 4.351 12.422 ( -3.868 6.047 2.272) 7.530 12.587 ( 3.831 6.017 2.600) 7.592 12.870 ( -4.772 -4.931 1.673) 7.063 13.136 ( 0.368 0.969 -6.693) 6.773 13.258 ( 1.590 -5.216 -3.335) 6.393 13.487 ( 1.574 -2.948 2.124) 3.960 13.838 ( -1.263 -2.622 3.913) 4.876 14.256 ( 7.260 6.577 -6.974) 12.024 15.085 ( -0.010 -1.507 -10.506) 10.614 ======================= Grid point 2 (3/135) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 11.591 1.199 2.368) 11.891 1.463 ( 4.394 0.615 7.170) 8.432 1.659 ( 7.945 2.044 3.336) 8.856 1.821 ( 8.901 -2.481 1.941) 9.442 2.128 ( -1.556 2.261 -2.018) 3.407 2.248 ( -5.987 -0.565 -0.411) 6.028 2.377 ( -2.882 0.262 0.050) 2.895 2.527 ( 1.136 -4.443 -2.233) 5.101 2.727 ( 1.620 2.075 8.086) 8.503 2.779 ( 1.399 3.064 5.386) 6.353 3.047 ( -6.094 0.774 4.932) 7.877 3.117 ( -1.698 -1.763 2.548) 3.533 3.171 ( -4.481 -1.902 5.184) 7.111 3.271 ( 0.666 2.559 12.154) 12.438 3.461 ( -3.918 2.134 -10.712) 11.604 3.646 ( -0.948 1.361 -15.923) 16.010 3.896 ( 3.204 -4.181 -8.581) 10.069 3.978 ( 5.722 -3.155 -5.790) 8.730 9.054 ( -2.926 1.924 24.400) 24.650 9.413 ( -4.891 3.173 8.097) 9.978 9.532 ( -8.255 -1.063 -2.423) 8.668 10.147 ( -13.582 5.080 -21.918) 26.280 10.459 ( 12.382 -2.679 -11.775) 17.296 10.972 ( 4.740 -5.184 -0.842) 7.075 11.171 ( 6.728 -0.361 2.786) 7.291 11.343 ( -2.346 -5.958 0.062) 6.403 12.219 ( 1.120 -0.437 0.138) 1.210 12.320 ( 3.784 -2.805 6.262) 7.836 12.607 ( -4.390 8.409 4.606) 10.545 12.919 ( 1.672 -2.404 -1.692) 3.382 13.135 ( -6.857 3.515 1.809) 7.915 13.151 ( -3.251 5.481 0.525) 6.394 13.716 ( -4.042 0.062 -5.676) 6.968 13.903 ( -2.235 -1.898 -4.509) 5.379 14.260 ( 5.779 1.819 3.697) 7.098 14.686 ( -4.706 -5.711 -4.913) 8.883 ======================= Grid point 3 (4/135) ======================= q-point: (-0.20 -0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -14.423 -3.018 -6.614) 16.151 1.171 ( -5.473 -5.823 -11.379) 13.904 1.498 ( -2.027 -1.873 -2.162) 3.506 1.602 ( -6.464 0.474 -2.759) 7.044 2.171 ( 1.185 0.801 -0.915) 1.698 2.308 ( 0.242 1.180 -12.788) 12.844 2.373 ( 4.175 1.884 -3.813) 5.959 2.431 ( 0.165 -0.580 -13.335) 13.349 2.580 ( 2.075 -0.890 -15.509) 15.672 2.642 ( 1.650 -1.447 1.516) 2.667 2.804 ( -4.128 -0.515 -5.943) 7.254 2.960 ( -0.527 -1.169 -3.731) 3.945 3.260 ( 2.005 3.477 2.640) 4.804 3.364 ( 2.281 2.420 4.998) 6.003 3.476 ( 0.564 0.008 -8.553) 8.572 4.003 ( 1.445 1.670 17.300) 17.441 4.100 ( -2.114 -2.237 16.337) 16.624 4.150 ( -2.031 0.873 15.050) 15.212 8.649 ( 2.167 7.410 -20.727) 22.118 9.371 ( 3.382 -9.224 -6.557) 11.811 9.805 ( 8.274 -1.728 5.468) 10.067 10.115 ( -6.060 -4.258 -10.830) 13.120 10.844 ( 4.585 -1.571 11.487) 12.467 10.906 ( -1.364 1.911 0.506) 2.402 11.267 ( -2.668 6.977 24.946) 26.040 11.340 ( -1.155 7.799 -3.145) 8.488 12.132 ( -0.525 3.835 -8.105) 8.982 12.214 ( -0.867 -5.374 1.892) 5.763 12.605 ( 6.990 -3.361 -7.784) 10.989 12.896 ( -3.809 5.839 1.255) 7.083 13.088 ( -4.117 -2.335 -2.388) 5.302 13.261 ( 6.801 -10.181 -1.289) 12.312 13.877 ( 3.645 2.039 0.325) 4.189 14.005 ( -1.286 2.326 5.621) 6.217 14.145 ( -4.796 -3.450 3.381) 6.807 14.900 ( 4.564 4.802 6.374) 9.193 ======================= Grid point 4 (5/135) ======================= q-point: ( 0.39 -0.51 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.396 4.720 -10.479) 12.697 1.333 ( 1.204 -2.166 -8.132) 8.501 1.490 ( -1.499 1.286 -13.903) 14.043 1.595 ( 0.971 -1.986 -4.993) 5.461 1.859 ( 2.520 -1.879 0.408) 3.169 1.951 ( -1.359 -0.024 -9.630) 9.726 2.097 ( 0.962 -0.324 1.433) 1.756 2.182 ( 0.516 -1.403 4.883) 5.107 2.379 ( 0.146 0.152 -2.026) 2.037 2.508 ( -2.531 3.940 -2.052) 5.113 2.648 ( 3.586 -7.406 -3.681) 9.014 2.901 ( -1.654 2.613 2.804) 4.175 3.103 ( -0.264 1.715 -3.390) 3.809 3.339 ( 1.515 -1.713 4.783) 5.302 3.421 ( 0.518 1.220 0.877) 1.589 4.398 ( -0.248 -1.613 6.658) 6.855 4.533 ( 0.123 -0.055 5.845) 5.847 4.907 ( -0.727 3.509 7.399) 8.221 7.592 ( 4.208 1.794 -13.470) 14.225 9.198 ( -0.655 -4.071 5.837) 7.147 9.623 ( -1.376 -1.713 -10.758) 10.980 10.100 ( -0.553 0.093 13.258) 13.270 10.443 ( -1.072 -0.161 -2.299) 2.542 10.996 ( 1.192 0.946 -16.050) 16.122 11.424 ( -0.960 1.840 8.734) 8.977 11.833 ( 0.986 -0.406 2.626) 2.835 12.149 ( 1.601 3.793 -7.503) 8.558 12.334 ( -4.056 -3.165 2.252) 5.617 12.603 ( -1.710 -1.693 1.192) 2.685 13.006 ( 2.289 10.961 7.823) 13.659 13.228 ( -1.548 -3.461 7.150) 8.093 13.373 ( 2.800 -0.992 2.545) 3.912 13.463 ( 2.733 -2.013 -2.148) 4.017 13.734 ( 0.457 -5.134 -9.785) 11.059 14.310 ( -0.795 -1.229 7.654) 7.792 15.221 ( -1.197 3.574 5.072) 6.319 ======================= Grid point 5 (6/135) ======================= q-point: (-0.01 0.12 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 11.228 0.000 13.172) 17.308 0.664 ( 18.864 0.000 12.617) 22.694 1.056 ( 16.001 0.000 31.290) 35.144 1.447 ( 2.852 0.000 -0.020) 2.852 1.502 ( 6.158 0.000 2.523) 6.654 1.694 ( -0.986 0.000 11.147) 11.191 2.089 ( 0.872 0.000 7.873) 7.921 2.209 ( -0.416 -0.000 -0.209) 0.465 2.403 ( -0.833 -0.000 -0.685) 1.078 2.738 ( -3.428 -0.000 -2.337) 4.149 2.891 ( -3.003 0.000 0.683) 3.080 2.923 ( 1.636 -0.000 -3.236) 3.627 3.122 ( 1.218 0.000 6.273) 6.390 3.428 ( -2.466 -0.000 -1.827) 3.069 3.629 ( -1.682 -0.000 -4.441) 4.749 4.514 ( 0.075 -0.000 -6.121) 6.122 4.551 ( 0.644 -0.000 -7.261) 7.290 4.573 ( -0.191 -0.000 -5.627) 5.630 8.323 ( -8.074 0.000 5.995) 10.056 9.031 ( 4.922 0.000 2.558) 5.547 9.695 ( 5.598 0.000 5.618) 7.930 10.046 ( -3.126 -0.000 -7.969) 8.560 10.668 ( -15.324 0.000 10.554) 18.607 11.204 ( -1.648 -0.000 -9.023) 9.172 11.376 ( 17.057 -0.000 -3.734) 17.461 11.695 ( -9.859 0.000 7.117) 12.160 12.026 ( 6.104 0.000 3.583) 7.078 12.059 ( -0.226 0.000 1.840) 1.854 12.701 ( -10.029 -0.000 -10.095) 14.230 13.011 ( -6.405 -0.000 -0.659) 6.439 13.212 ( 7.524 -0.000 -9.121) 11.824 13.223 ( 10.762 -0.000 -8.267) 13.571 13.766 ( -0.776 0.000 7.395) 7.435 14.307 ( 1.616 -0.000 -3.246) 3.626 14.307 ( 5.038 -0.000 -4.583) 6.811 14.873 ( -12.257 0.000 9.375) 15.431 ======================= Grid point 6 (7/135) ======================= q-point: ( 0.59 -0.26 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.801 4.765 4.822) 8.307 1.579 ( -9.542 1.658 -3.976) 10.469 1.705 ( -4.982 0.622 1.869) 5.358 1.782 ( -7.929 5.980 2.245) 10.182 2.111 ( 7.322 -4.084 4.871) 9.696 2.133 ( 0.248 0.302 7.963) 7.973 2.263 ( -1.380 -1.735 12.038) 12.241 2.389 ( -1.368 -2.062 1.997) 3.180 2.485 ( 1.004 0.584 10.268) 10.333 2.672 ( 4.156 0.319 16.374) 16.896 2.956 ( -0.110 -3.273 5.062) 6.029 3.046 ( 2.373 3.247 1.770) 4.394 3.086 ( 0.578 -2.631 -2.248) 3.508 3.154 ( 0.566 -1.744 -0.420) 1.881 3.405 ( 0.021 -2.968 4.856) 5.691 3.952 ( 1.371 1.958 -17.263) 17.428 4.094 ( -0.075 -1.168 -16.160) 16.202 4.280 ( -3.974 1.537 -15.793) 16.358 8.522 ( -1.651 0.445 36.721) 36.761 9.453 ( 11.637 3.451 0.214) 12.140 9.708 ( 9.489 3.051 -11.579) 15.278 10.311 ( 6.254 -8.466 9.328) 14.064 10.451 ( -6.881 -3.106 -4.499) 8.788 10.723 ( 0.862 -3.027 -17.086) 17.373 11.211 ( -4.945 -0.597 2.573) 5.606 11.597 ( -8.092 7.103 -12.350) 16.385 12.056 ( -2.661 2.000 5.421) 6.361 12.351 ( -2.597 1.260 0.539) 2.936 12.711 ( -1.252 -1.766 1.855) 2.851 12.910 ( -4.331 5.135 1.442) 6.870 13.042 ( 3.485 -2.241 6.817) 7.977 13.353 ( 10.156 -4.889 -2.627) 11.573 13.598 ( 4.374 -4.480 2.081) 6.598 13.879 ( 1.085 -2.712 0.647) 2.991 14.299 ( 5.231 7.216 -2.544) 9.269 14.805 ( -2.800 -0.618 -14.352) 14.636 ======================= Grid point 7 (8/135) ======================= q-point: ( 0.19 0.37 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 4.593 -0.626 -2.038) 5.063 1.639 ( 0.924 -1.172 4.053) 4.319 1.875 ( 7.233 0.332 0.202) 7.244 1.971 ( 2.397 0.340 -0.944) 2.599 2.069 ( 1.890 -0.402 -3.474) 3.975 2.188 ( -2.248 1.709 2.028) 3.477 2.321 ( 3.115 0.979 0.145) 3.268 2.587 ( 4.721 -5.909 0.611) 7.588 2.723 ( -2.001 -0.299 -13.419) 13.571 2.816 ( -6.026 4.219 -3.134) 7.996 2.864 ( 0.708 5.458 -2.681) 6.122 2.971 ( -7.555 -0.361 -3.721) 8.429 3.111 ( -0.704 -4.184 -12.878) 13.559 3.266 ( 0.388 1.326 -3.919) 4.155 3.381 ( -0.594 5.956 1.221) 6.109 3.663 ( -0.873 1.463 19.402) 19.477 3.894 ( 5.171 -4.949 1.275) 7.271 4.119 ( 0.536 -4.329 10.031) 10.939 9.241 ( -5.603 4.128 -32.744) 33.475 9.286 ( -3.061 -1.259 1.876) 3.805 9.381 ( -8.486 -4.584 6.810) 11.807 9.771 ( -1.728 9.453 25.703) 27.441 10.483 ( 11.353 -2.569 -11.712) 16.513 10.954 ( 2.694 -4.094 -8.859) 10.124 11.300 ( -1.759 -3.149 1.498) 3.906 11.514 ( 2.235 -2.104 16.241) 16.528 12.233 ( 1.503 -2.505 -3.189) 4.325 12.498 ( 5.870 -0.633 -1.495) 6.090 12.617 ( -5.723 9.337 8.304) 13.744 12.871 ( -6.206 -1.516 -0.148) 6.391 13.024 ( -2.547 1.883 -1.340) 3.439 13.090 ( 1.222 3.479 -0.685) 3.750 13.564 ( 0.491 -1.076 -3.977) 4.149 13.756 ( -4.929 0.208 -0.585) 4.968 14.422 ( 1.046 -4.523 -1.580) 4.904 14.592 ( -0.981 0.920 6.900) 7.029 ======================= Grid point 8 (9/135) ======================= q-point: (-0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -0.000 -8.520 -9.186) 12.529 0.843 ( -0.000 -10.270 -13.920) 17.299 1.452 ( -0.000 0.517 -2.018) 2.083 1.476 ( -0.000 -2.899 -1.646) 3.333 1.831 ( -0.000 -5.226 -34.348) 34.743 1.974 ( -0.000 1.744 -17.559) 17.646 2.210 ( -0.000 -0.091 -1.009) 1.013 2.290 ( -0.000 0.328 -12.771) 12.775 2.426 ( -0.000 -2.531 0.020) 2.531 2.736 ( 0.000 -1.853 2.860) 3.407 2.768 ( 0.000 6.392 3.031) 7.075 2.928 ( -0.000 0.188 -0.631) 0.658 3.220 ( -0.000 3.122 -6.686) 7.379 3.412 ( 0.000 -0.590 0.917) 1.090 3.500 ( 0.000 3.132 6.140) 6.893 4.343 ( 0.000 -0.634 13.075) 13.091 4.343 ( 0.000 -0.355 12.200) 12.205 4.400 ( 0.000 0.446 11.233) 11.242 8.333 ( -0.000 16.103 -13.852) 21.241 9.285 ( -0.000 -14.140 -5.302) 15.101 9.833 ( -0.000 -4.383 -9.004) 10.014 10.013 ( 0.000 -4.081 5.562) 6.899 10.932 ( 0.000 0.328 4.104) 4.117 11.099 ( 0.000 -4.954 7.976) 9.389 11.142 ( -0.000 10.172 -10.043) 14.295 11.713 ( 0.000 8.395 15.935) 18.012 11.971 ( -0.000 4.966 -8.446) 9.798 12.221 ( -0.000 -11.697 -2.627) 11.988 12.618 ( 0.000 6.139 2.345) 6.572 12.830 ( 0.000 5.946 0.853) 6.007 13.017 ( 0.000 -0.143 1.415) 1.422 13.342 ( -0.000 -15.300 1.213) 15.348 13.867 ( -0.000 2.560 -4.454) 5.137 14.015 ( 0.000 13.807 -5.009) 14.687 14.195 ( 0.000 -5.675 6.508) 8.635 15.128 ( 0.000 -3.454 11.753) 12.250 ======================= Grid point 9 (10/135) ======================= q-point: ( 0.39 -0.39 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -5.657 9.214 0.000) 10.812 1.161 ( -9.349 8.164 0.000) 12.412 1.361 ( 2.530 -5.667 -0.000) 6.206 1.581 ( 0.422 0.081 0.000) 0.429 1.789 ( -5.131 0.864 -0.000) 5.204 1.938 ( 3.672 -2.983 -0.000) 4.731 2.114 ( -1.503 -0.647 -0.000) 1.636 2.118 ( -6.943 -1.351 -0.000) 7.073 2.303 ( -7.588 2.977 0.000) 8.151 2.525 ( 8.863 -2.032 0.000) 9.093 2.660 ( 1.097 -6.632 -0.000) 6.722 3.031 ( 6.177 2.654 0.000) 6.723 3.051 ( 0.558 3.304 0.000) 3.351 3.374 ( -4.834 0.345 -0.000) 4.846 3.432 ( 2.253 -4.380 -0.000) 4.926 4.472 ( 0.963 -0.979 -0.000) 1.373 4.596 ( 0.331 -0.283 -0.000) 0.435 4.916 ( -4.673 4.616 0.000) 6.569 7.545 ( 2.952 -8.377 -0.000) 8.882 9.435 ( -1.175 4.187 0.000) 4.349 9.457 ( 14.148 -4.793 0.000) 14.938 10.218 ( -3.922 4.975 0.000) 6.335 10.403 ( -1.483 2.692 0.000) 3.074 10.831 ( 3.192 -6.104 -0.000) 6.889 11.471 ( -1.866 4.412 0.000) 4.790 11.896 ( 2.081 -1.815 -0.000) 2.762 12.040 ( -1.953 -0.769 -0.000) 2.099 12.272 ( -6.944 6.428 0.000) 9.463 12.547 ( -3.285 -1.883 -0.000) 3.787 13.200 ( 6.253 12.680 0.000) 14.138 13.338 ( 0.143 -1.510 -0.000) 1.517 13.439 ( -2.353 -18.131 -0.000) 18.283 13.474 ( 1.875 -2.495 -0.000) 3.121 13.502 ( -4.710 -3.025 -0.000) 5.598 14.461 ( 5.569 0.646 0.000) 5.606 15.265 ( 1.323 6.454 0.000) 6.588 ======================= Grid point 10 (11/135) ======================= q-point: (-0.01 0.24 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 9.492 0.000 12.084) 15.366 1.263 ( 18.170 0.000 6.276) 19.223 1.483 ( 3.360 0.000 2.852) 4.407 1.730 ( 8.955 0.000 4.019) 9.815 1.911 ( 7.479 0.000 24.795) 25.899 1.952 ( -1.763 0.000 16.392) 16.486 2.188 ( -1.226 0.000 0.264) 1.254 2.305 ( -0.022 0.000 8.388) 8.388 2.388 ( 0.901 0.000 3.729) 3.836 2.565 ( -5.913 -0.000 -4.455) 7.404 2.839 ( -4.994 0.000 2.686) 5.670 2.875 ( -0.572 -0.000 -2.368) 2.436 3.293 ( -5.240 -0.000 -3.471) 6.285 3.331 ( 3.549 0.000 7.862) 8.626 3.467 ( -2.734 -0.000 -6.670) 7.209 4.327 ( -0.260 -0.000 -12.657) 12.660 4.378 ( 1.643 -0.000 -11.991) 12.103 4.426 ( 0.898 -0.000 -9.534) 9.576 8.303 ( -10.413 0.000 13.544) 17.085 9.190 ( 4.864 0.000 1.806) 5.189 9.712 ( -9.280 -0.000 -7.845) 12.151 10.013 ( 8.641 0.000 9.236) 12.648 10.744 ( -6.162 0.000 14.988) 16.205 10.938 ( -4.192 -0.000 -10.484) 11.291 11.550 ( 10.232 -0.000 -6.982) 12.387 11.609 ( -7.968 -0.000 0.874) 8.016 12.105 ( -0.129 0.000 3.002) 3.005 12.173 ( 4.794 -0.000 -4.797) 6.782 12.387 ( -1.122 -0.000 -1.374) 1.774 12.864 ( -7.915 0.000 1.828) 8.123 13.170 ( 3.116 -0.000 -6.272) 7.004 13.244 ( 3.438 -0.000 -5.182) 6.219 13.823 ( -3.201 0.000 1.710) 3.629 14.247 ( -0.289 -0.000 -8.161) 8.166 14.296 ( 4.912 -0.000 -4.042) 6.361 14.784 ( -6.944 0.000 2.832) 7.499 ======================= Grid point 11 (12/135) ======================= q-point: ( 0.58 -0.14 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -5.569 -3.855 -1.762) 6.998 1.338 ( -6.477 6.956 0.986) 9.556 1.615 ( -3.348 -1.618 -1.716) 4.095 1.659 ( -4.293 4.882 -0.031) 6.501 2.231 ( 1.249 -5.008 -0.206) 5.165 2.252 ( 0.153 1.852 3.607) 4.057 2.423 ( 4.155 0.164 4.547) 6.162 2.457 ( 2.977 -0.744 0.232) 3.078 2.713 ( -0.516 0.339 8.040) 8.064 2.833 ( -4.303 -1.934 -4.464) 6.495 3.119 ( 3.080 1.073 17.017) 17.327 3.170 ( 3.157 -1.609 1.422) 3.818 3.195 ( 3.064 1.104 4.587) 5.626 3.260 ( -1.586 -0.231 10.545) 10.666 3.519 ( -1.494 -5.257 8.446) 10.060 3.643 ( 0.479 1.674 -11.870) 11.997 3.726 ( -1.111 -2.512 -18.674) 18.875 3.910 ( -1.943 5.792 -14.923) 16.125 9.233 ( 0.206 6.040 34.807) 35.328 9.629 ( 6.299 -2.096 -14.508) 15.954 9.763 ( 7.220 2.358 5.133) 9.168 9.967 ( 0.116 -8.155 -21.869) 23.341 10.584 ( 6.488 -10.318 1.180) 12.245 10.657 ( -3.016 3.028 5.357) 6.853 11.091 ( -10.806 0.536 -4.109) 11.573 11.227 ( -1.079 8.811 -3.616) 9.585 12.137 ( -0.725 -0.168 5.026) 5.081 12.296 ( -0.561 2.423 -3.489) 4.284 12.714 ( -1.639 -2.461 2.268) 3.726 12.788 ( -3.674 1.958 -0.954) 4.271 13.352 ( 5.860 -0.076 7.866) 9.809 13.487 ( 7.237 -3.697 -4.875) 9.476 13.753 ( 4.167 -5.557 4.775) 8.429 13.896 ( -0.221 -1.035 -0.055) 1.060 14.334 ( 0.832 -1.229 -5.958) 6.140 14.491 ( -2.523 8.153 -4.228) 9.524 ======================= Grid point 12 (13/135) ======================= q-point: ( 0.18 -0.52 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -1.903 -1.540 -5.419) 5.946 1.628 ( -4.107 3.176 -1.263) 5.343 1.935 ( 1.897 -1.598 -2.421) 3.466 2.004 ( 2.834 0.401 -0.379) 2.887 2.057 ( -2.682 -4.809 2.006) 5.860 2.143 ( -0.767 -1.154 -7.321) 7.451 2.309 ( -2.628 0.985 -18.024) 18.241 2.471 ( 4.933 0.310 -14.401) 15.225 2.519 ( 5.438 2.376 -1.722) 6.179 2.577 ( -5.532 -0.926 -4.964) 7.490 2.801 ( 2.749 0.822 -7.720) 8.236 2.822 ( -5.833 1.168 -2.287) 6.373 2.981 ( 4.881 4.798 2.442) 7.267 3.246 ( 0.880 -1.641 2.422) 3.055 3.446 ( 1.826 0.603 -0.699) 2.046 3.992 ( -0.720 -3.598 16.079) 16.492 4.122 ( 0.757 -2.887 12.981) 13.320 4.357 ( -0.620 2.888 12.989) 13.321 8.490 ( -0.832 3.239 -30.730) 30.911 9.210 ( -2.186 -7.580 0.072) 7.889 9.491 ( -1.412 2.468 9.426) 9.845 10.168 ( 1.491 3.270 6.306) 7.259 10.575 ( 8.256 -1.175 0.497) 8.354 10.803 ( 0.064 -1.544 -4.820) 5.062 11.351 ( 2.580 0.582 2.406) 3.576 11.744 ( -5.287 -1.670 8.792) 10.394 12.149 ( 0.393 -0.523 -5.083) 5.125 12.457 ( -8.996 4.567 2.605) 10.420 12.620 ( -3.439 -2.760 -3.506) 5.633 12.727 ( -2.424 3.794 1.552) 4.762 13.050 ( 4.585 -0.645 1.164) 4.774 13.171 ( 0.898 3.799 4.004) 5.592 13.614 ( 5.975 -4.522 -0.432) 7.506 13.776 ( 5.605 3.049 4.729) 7.942 14.327 ( -3.411 -9.954 -2.270) 10.764 14.777 ( -1.073 5.865 9.835) 11.501 ======================= Grid point 13 (14/135) ======================= q-point: (-0.22 0.11 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 10.377 -6.670 -9.389) 15.503 0.760 ( 12.815 -8.296 -15.119) 21.486 1.252 ( 12.350 -15.679 -20.551) 28.648 1.475 ( 3.463 -2.897 -1.291) 4.696 1.507 ( 5.640 -0.666 -2.425) 6.175 1.666 ( -0.824 2.589 -11.742) 12.052 2.073 ( 0.971 1.516 -7.803) 8.008 2.213 ( -0.798 -0.350 0.114) 0.879 2.395 ( -3.034 0.705 0.521) 3.158 2.758 ( -2.124 -0.462 2.207) 3.098 2.852 ( -0.006 2.814 1.725) 3.300 2.901 ( 0.368 2.072 0.079) 2.105 3.103 ( 1.389 0.550 -6.472) 6.642 3.413 ( -2.556 1.338 1.384) 3.200 3.589 ( -1.659 3.778 4.212) 5.896 4.494 ( -1.602 0.963 6.632) 6.890 4.566 ( -0.352 0.392 5.873) 5.897 4.589 ( 2.676 -2.251 6.633) 7.498 8.092 ( -3.515 18.166 -7.250) 19.872 9.207 ( 0.636 -13.057 -2.152) 13.248 9.756 ( 5.387 -5.609 -5.230) 9.372 10.096 ( -3.443 -4.741 8.344) 10.195 10.638 ( -15.781 3.225 -9.321) 18.610 11.150 ( 0.634 5.407 7.455) 9.231 11.389 ( 10.306 -2.088 1.411) 10.610 11.700 ( -4.064 0.144 -5.839) 7.116 11.935 ( 3.131 5.637 1.414) 6.601 12.117 ( 0.842 -3.219 -7.690) 8.379 12.637 ( -8.253 4.140 8.102) 12.283 13.028 ( 6.383 5.135 9.271) 12.372 13.202 ( 8.471 2.786 7.007) 11.340 13.309 ( -4.306 -13.887 2.267) 14.715 13.728 ( -1.015 4.379 -7.580) 8.812 13.825 ( 4.794 21.981 -16.821) 28.090 14.361 ( 4.474 -4.710 4.485) 7.894 15.271 ( -13.238 -16.254 12.426) 24.369 ======================= Grid point 14 (15/135) ======================= q-point: ( 0.38 -0.27 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -8.408 9.348 5.097) 13.567 1.132 ( -7.775 7.792 17.573) 20.736 1.519 ( 0.714 -1.780 7.056) 7.312 1.599 ( -1.682 1.463 5.785) 6.199 1.660 ( -8.431 0.082 1.981) 8.661 1.874 ( -10.528 8.614 4.281) 14.261 2.064 ( -1.783 -2.786 5.883) 6.749 2.157 ( 5.354 -1.780 1.696) 5.892 2.253 ( 1.586 -1.525 0.075) 2.201 2.629 ( 3.055 -6.091 -2.696) 7.329 2.765 ( 3.766 -2.961 4.220) 6.384 2.976 ( -1.274 5.516 -3.726) 6.777 3.180 ( -3.687 2.375 5.805) 7.275 3.303 ( 2.970 -2.718 -1.252) 4.216 3.442 ( 2.434 -5.718 -3.929) 7.352 4.436 ( 1.956 -0.346 -6.736) 7.022 4.546 ( 0.413 -0.516 -5.813) 5.851 4.739 ( -5.279 3.446 -6.753) 9.238 7.693 ( 0.529 -15.063 11.225) 18.794 9.400 ( 4.154 8.334 -2.567) 9.659 9.888 ( 11.423 0.782 7.150) 13.499 10.087 ( 0.967 5.947 -6.761) 9.056 10.347 ( 1.105 -2.063 0.565) 2.407 11.018 ( -0.194 -5.730 6.722) 8.835 11.453 ( 2.093 3.243 1.667) 4.205 11.830 ( -1.583 -2.331 -8.205) 8.676 11.999 ( -13.511 3.640 -2.259) 14.174 12.159 ( 0.767 1.901 11.193) 11.380 12.494 ( 1.339 -0.066 -3.546) 3.791 13.022 ( -5.464 -8.002 -11.516) 15.050 13.227 ( -3.286 -5.312 -4.933) 7.960 13.450 ( 6.717 8.088 -3.305) 11.021 13.529 ( -0.369 -8.257 8.529) 11.877 13.673 ( -0.664 -2.532 10.684) 11.000 14.484 ( 2.330 2.422 -6.114) 6.977 15.271 ( 5.839 5.786 -8.564) 11.871 ======================= Grid point 15 (16/135) ======================= q-point: (-0.02 0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 6.084 0.000 9.706) 11.456 1.499 ( 5.279 0.000 -0.496) 5.302 1.792 ( 12.300 0.000 2.953) 12.649 2.010 ( 9.239 0.000 4.421) 10.243 2.074 ( -3.411 0.000 0.802) 3.504 2.226 ( -3.245 0.000 0.633) 3.306 2.273 ( -2.643 0.000 4.747) 5.433 2.449 ( -1.937 0.000 9.962) 10.149 2.468 ( 3.115 0.000 15.098) 15.416 2.661 ( 5.190 0.000 8.436) 9.904 2.762 ( -9.616 0.000 3.928) 10.387 2.863 ( -2.156 0.000 7.845) 8.136 3.084 ( -7.249 -0.000 -3.898) 8.230 3.289 ( -1.507 -0.000 -5.549) 5.750 3.463 ( -0.348 -0.000 -0.221) 0.412 4.017 ( 0.035 -0.000 -18.203) 18.203 4.189 ( 1.575 -0.000 -9.915) 10.040 4.254 ( 2.540 -0.000 -10.959) 11.250 8.494 ( -4.448 0.000 23.395) 23.814 9.284 ( 1.824 0.000 0.462) 1.881 9.446 ( -4.148 -0.000 -4.064) 5.807 10.166 ( -2.374 -0.000 -10.656) 10.918 10.777 ( 2.845 0.000 3.134) 4.232 10.860 ( -10.509 0.000 13.148) 16.832 11.386 ( -1.237 -0.000 -9.810) 9.888 11.584 ( 9.401 -0.000 -10.322) 13.961 12.171 ( -0.003 0.000 4.197) 4.197 12.197 ( 4.474 0.000 1.321) 4.665 12.523 ( 7.097 0.000 2.236) 7.441 12.757 ( -7.298 0.000 3.463) 8.078 13.110 ( 1.695 -0.000 -4.657) 4.955 13.161 ( -2.782 -0.000 -3.442) 4.426 13.729 ( -3.285 -0.000 -2.435) 4.089 13.975 ( -9.324 -0.000 -7.328) 11.859 14.358 ( 5.962 -0.000 -1.607) 6.175 14.690 ( -2.475 -0.000 -2.926) 3.832 ======================= Grid point 16 (17/135) ======================= q-point: (-0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.000 -9.154 -6.314) 11.120 1.307 ( 0.000 5.244 -0.210) 5.249 1.517 ( -0.000 -3.707 -3.557) 5.138 1.606 ( -0.000 0.778 -1.100) 1.347 2.201 ( -0.000 -1.980 -2.067) 2.862 2.347 ( 0.000 4.182 3.469) 5.434 2.496 ( -0.000 1.483 -2.852) 3.215 2.517 ( 0.000 -0.051 0.416) 0.419 2.674 ( -0.000 -1.710 -6.230) 6.460 2.767 ( -0.000 -2.293 0.369) 2.323 3.146 ( -0.000 -3.222 -13.483) 13.863 3.165 ( -0.000 0.716 -12.175) 12.196 3.235 ( -0.000 0.039 -10.759) 10.759 3.270 ( 0.000 3.091 2.319) 3.864 3.610 ( -0.000 5.585 -5.262) 7.673 3.670 ( 0.000 0.642 12.696) 12.712 3.714 ( 0.000 -1.146 18.334) 18.370 3.812 ( 0.000 -1.623 16.024) 16.106 9.135 ( -0.000 -2.778 -31.842) 31.963 9.755 ( -0.000 -6.767 -7.801) 10.327 9.763 ( 0.000 2.775 14.043) 14.314 10.084 ( 0.000 3.236 15.479) 15.814 10.628 ( 0.000 3.171 2.093) 3.800 10.732 ( 0.000 -0.894 7.801) 7.852 10.984 ( 0.000 -10.546 5.018) 11.679 11.163 ( 0.000 15.048 -4.756) 15.781 12.187 ( -0.000 3.949 -6.692) 7.770 12.226 ( 0.000 -3.649 4.879) 6.093 12.731 ( 0.000 2.243 -0.504) 2.299 12.737 ( 0.000 0.606 1.131) 1.283 13.392 ( -0.000 -3.966 -13.076) 13.664 13.518 ( 0.000 -5.852 2.654) 6.426 13.889 ( -0.000 1.881 -0.798) 2.043 13.901 ( 0.000 -0.511 3.416) 3.454 14.181 ( -0.000 -11.346 -1.112) 11.401 14.571 ( 0.000 13.761 8.844) 16.358 ======================= Grid point 17 (18/135) ======================= q-point: ( 0.18 -0.40 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -8.585 0.763 -8.603) 12.178 1.530 ( -4.349 1.547 -1.419) 4.829 1.622 ( -7.442 2.696 -18.941) 20.528 1.878 ( -3.520 -1.366 -9.456) 10.182 1.916 ( -1.918 0.047 -10.363) 10.539 2.052 ( 0.309 -2.670 -5.277) 5.922 2.136 ( 1.594 -1.477 -1.037) 2.408 2.294 ( -2.205 -2.613 -2.886) 4.474 2.340 ( -2.810 -0.460 -9.153) 9.585 2.589 ( 2.112 0.597 -0.946) 2.390 2.719 ( 4.046 5.548 -0.790) 6.912 2.842 ( 2.593 -0.725 0.884) 2.834 3.173 ( 6.277 1.289 2.405) 6.845 3.357 ( 1.515 -3.266 1.540) 3.916 3.400 ( -1.300 -1.034 -0.675) 1.793 4.267 ( -0.003 -3.908 12.370) 12.972 4.377 ( 0.349 -0.713 11.064) 11.092 4.556 ( -3.202 5.914 10.811) 12.732 8.063 ( 6.995 -1.739 -19.248) 20.554 9.230 ( 0.350 -4.534 2.823) 5.353 9.646 ( 2.522 6.783 5.883) 9.327 10.132 ( -0.510 -4.896 -7.904) 9.311 10.516 ( 1.050 -4.932 -8.094) 9.536 10.976 ( 1.424 8.010 8.417) 11.707 11.439 ( 6.252 -0.420 -4.779) 7.881 11.748 ( -5.283 -0.456 7.483) 9.171 12.081 ( -2.694 -0.065 -0.372) 2.721 12.340 ( -5.702 3.492 0.584) 6.712 12.428 ( -5.708 -2.325 0.120) 6.164 12.807 ( 5.647 7.174 1.000) 9.184 13.177 ( 0.857 -2.871 5.051) 5.873 13.268 ( -0.498 1.440 5.392) 5.603 13.708 ( 4.107 -3.961 -1.279) 5.847 14.088 ( 10.612 -3.164 -1.063) 11.125 14.224 ( -4.103 -9.704 5.100) 11.705 14.904 ( -1.754 9.864 6.659) 12.030 ======================= Grid point 18 (19/135) ======================= q-point: (-0.23 0.23 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 8.754 -10.301 -0.000) 13.518 0.763 ( 12.903 -7.123 -0.000) 14.739 1.504 ( 7.010 -3.605 -0.000) 7.882 1.508 ( -2.043 3.493 0.000) 4.046 1.628 ( 8.090 -0.391 0.000) 8.099 1.636 ( 19.511 -6.468 0.000) 20.555 2.040 ( 3.292 1.196 0.000) 3.503 2.183 ( -2.236 1.160 0.000) 2.519 2.335 ( -2.768 4.243 0.000) 5.066 2.730 ( -2.767 -3.145 -0.000) 4.189 2.747 ( -7.054 2.230 -0.000) 7.398 3.000 ( -1.024 -2.643 -0.000) 2.834 3.042 ( 4.469 3.733 0.000) 5.823 3.361 ( -3.351 0.887 -0.000) 3.467 3.584 ( -2.884 3.773 0.000) 4.749 4.532 ( -0.956 2.439 0.000) 2.620 4.613 ( -0.569 0.372 0.000) 0.680 4.715 ( 3.170 -4.845 -0.000) 5.790 7.889 ( -8.667 11.731 0.000) 14.585 9.254 ( 5.206 -6.962 -0.000) 8.693 9.803 ( 0.526 -0.677 -0.000) 0.857 10.094 ( -13.797 -2.059 -0.000) 13.950 10.271 ( 3.566 -4.027 -0.000) 5.379 11.173 ( -9.596 12.253 0.000) 15.564 11.353 ( 0.944 -2.950 -0.000) 3.098 11.863 ( 10.853 -7.174 -0.000) 13.010 11.976 ( -2.192 1.287 0.000) 2.542 12.061 ( 6.110 3.626 0.000) 7.105 12.596 ( -3.040 3.476 0.000) 4.618 13.065 ( -9.268 -16.213 -0.000) 18.675 13.384 ( -0.624 1.656 0.000) 1.770 13.478 ( 6.564 5.714 0.000) 8.702 13.581 ( -2.633 2.311 0.000) 3.503 13.786 ( 10.250 29.003 0.000) 30.761 14.487 ( 0.886 -3.241 -0.000) 3.360 15.099 ( -8.873 -20.631 -0.000) 22.458 ======================= Grid point 19 (20/135) ======================= q-point: ( 0.37 -0.15 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( -7.525 8.563 7.514) 13.653 1.200 ( -9.286 12.309 7.636) 17.207 1.498 ( -5.015 0.350 1.980) 5.403 1.567 ( -2.545 2.157 1.932) 3.855 1.909 ( 0.701 -1.702 18.512) 18.604 1.966 ( -2.060 2.368 18.303) 18.570 2.196 ( 0.662 -1.156 4.671) 4.857 2.305 ( 0.382 2.227 11.468) 11.689 2.388 ( 7.319 -0.049 1.999) 7.587 2.607 ( 0.032 -7.333 -2.138) 7.639 2.855 ( -4.270 4.599 -0.528) 6.297 2.899 ( 0.889 -1.305 2.646) 3.081 3.170 ( -1.674 -3.377 1.412) 4.025 3.389 ( 2.332 -3.404 -2.724) 4.944 3.398 ( 2.154 -1.377 -0.828) 2.687 4.290 ( 2.667 0.084 -12.955) 13.227 4.386 ( 0.247 -0.726 -11.169) 11.196 4.442 ( -4.438 1.799 -12.632) 13.509 8.019 ( -0.134 -12.672 21.553) 25.002 9.492 ( 4.641 9.636 1.913) 10.865 10.029 ( 4.647 5.978 -7.198) 10.448 10.044 ( -3.243 7.372 5.965) 10.022 10.640 ( 14.578 -11.378 6.377) 19.561 10.993 ( -3.880 -1.236 -1.369) 4.296 11.413 ( -11.147 6.351 -6.026) 14.174 11.508 ( 0.249 -10.643 -18.614) 21.443 11.870 ( -1.614 -3.221 8.332) 9.078 12.403 ( 4.375 -4.072 -2.512) 6.484 12.496 ( 0.276 12.522 10.220) 16.166 12.780 ( -4.631 -6.862 -1.586) 8.429 13.048 ( -4.527 -4.126 -1.121) 6.226 13.550 ( 7.402 9.653 -3.219) 12.583 13.715 ( 2.604 -7.648 7.027) 10.708 13.828 ( -1.827 -4.462 7.278) 8.730 14.361 ( -0.942 6.160 -6.466) 8.980 15.117 ( 3.411 1.112 -16.890) 17.266 ======================= Grid point 20 (21/135) ======================= q-point: (-0.03 0.47 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.131 0.000 3.620) 3.792 1.599 ( 3.790 0.000 -0.085) 3.791 1.971 ( 2.590 0.000 1.056) 2.797 1.989 ( -4.029 -0.000 -0.808) 4.109 2.112 ( -0.647 -0.000 -0.786) 1.018 2.127 ( 0.475 -0.000 -2.168) 2.219 2.477 ( 13.346 0.000 2.575) 13.592 2.502 ( -11.923 -0.000 -0.467) 11.932 2.756 ( -2.020 0.000 12.071) 12.239 2.784 ( 2.184 0.000 9.566) 9.812 2.818 ( 5.509 0.000 0.299) 5.517 2.852 ( -8.108 -0.000 -2.329) 8.436 3.179 ( -1.089 0.000 22.542) 22.568 3.222 ( 0.839 0.000 0.076) 0.843 3.330 ( -1.168 -0.000 -8.718) 8.796 3.627 ( 0.852 -0.000 -21.983) 22.000 4.056 ( -3.612 -0.000 -1.013) 3.752 4.130 ( 3.211 -0.000 -7.367) 8.036 9.042 ( 6.536 0.000 28.338) 29.082 9.286 ( -1.544 -0.000 -1.120) 1.907 9.360 ( 0.145 -0.000 -1.388) 1.395 9.653 ( -3.125 -0.000 -26.260) 26.446 10.840 ( -14.307 0.000 13.053) 19.367 10.994 ( 4.980 0.000 3.575) 6.130 11.288 ( 1.365 0.000 0.323) 1.402 11.493 ( 5.006 -0.000 -15.283) 16.082 12.280 ( 1.844 0.000 3.687) 4.122 12.313 ( 3.044 -0.000 -1.062) 3.224 12.667 ( -7.510 0.000 2.313) 7.858 12.711 ( 9.504 -0.000 -1.599) 9.637 13.046 ( -3.480 -0.000 0.225) 3.487 13.066 ( 0.641 -0.000 -1.866) 1.973 13.670 ( 2.310 -0.000 -0.370) 2.339 13.681 ( -7.079 -0.000 -1.529) 7.242 14.476 ( 4.620 0.000 2.010) 5.039 14.550 ( -3.001 -0.000 -5.361) 6.144 ======================= Grid point 21 (22/135) ======================= q-point: (-0.43 0.10 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 8.324 -6.816 -7.317) 13.012 1.310 ( 6.448 -6.427 -4.157) 10.009 1.531 ( 5.537 -1.783 -1.485) 6.004 1.607 ( 3.247 -1.170 -2.071) 4.025 2.153 ( -0.737 0.848 -3.451) 3.629 2.279 ( 0.205 1.676 -12.652) 12.764 2.326 ( -4.915 2.339 -6.778) 8.693 2.448 ( -2.824 0.346 -5.587) 6.270 2.543 ( -1.759 3.723 -4.362) 5.998 2.676 ( 0.065 -3.137 -14.466) 14.803 2.877 ( 4.094 -4.977 -4.578) 7.905 2.978 ( 0.976 -0.604 -6.525) 6.625 3.171 ( -0.906 4.874 0.592) 4.992 3.296 ( -2.479 4.014 3.915) 6.130 3.463 ( -0.706 1.280 -5.304) 5.501 3.984 ( -2.629 0.299 17.810) 18.006 4.120 ( 0.270 1.349 15.607) 15.667 4.150 ( 4.046 -2.172 16.619) 17.242 8.525 ( 0.122 3.957 -29.177) 29.444 9.549 ( -6.756 -7.426 -4.070) 10.833 9.851 ( -8.451 -2.598 8.477) 12.248 10.221 ( 7.912 -5.302 -8.486) 12.756 10.756 ( -11.050 12.440 -3.078) 16.921 10.860 ( -1.766 1.789 16.474) 16.665 11.127 ( 4.931 4.730 12.278) 14.051 11.275 ( 9.444 -2.553 6.906) 11.975 12.042 ( 0.642 3.939 -8.545) 9.431 12.312 ( -0.870 -3.134 4.185) 5.300 12.694 ( -0.999 -4.445 -5.191) 6.907 12.784 ( 4.014 4.238 -1.125) 5.944 13.111 ( -0.006 -0.158 -8.727) 8.729 13.484 ( -7.538 -9.930 2.795) 12.777 13.804 ( -3.850 5.469 -2.342) 7.087 13.932 ( 1.696 4.510 -2.117) 5.263 14.247 ( 0.340 -6.564 4.047) 7.719 14.801 ( -0.790 4.054 14.660) 15.230 ======================= Grid point 22 (23/135) ======================= q-point: ( 0.17 -0.28 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( -11.214 3.485 -8.793) 14.670 0.981 ( -8.461 6.513 -22.542) 24.943 1.488 ( -4.932 2.810 0.593) 5.707 1.620 ( -4.001 -1.203 -7.809) 8.857 1.661 ( -5.485 0.115 -6.564) 8.554 1.707 ( -15.283 5.658 -6.605) 17.584 2.108 ( -2.472 -1.398 -6.965) 7.522 2.182 ( 2.202 -0.905 -0.070) 2.382 2.323 ( 3.127 -4.262 1.054) 5.390 2.693 ( 4.076 1.516 2.348) 4.942 2.781 ( 4.865 0.206 -2.005) 5.266 2.924 ( -0.025 -0.492 3.579) 3.613 3.160 ( -3.277 -0.860 -7.682) 8.396 3.341 ( 3.661 -0.879 1.963) 4.246 3.541 ( 2.828 -3.638 4.170) 6.214 4.467 ( 0.938 -2.527 6.608) 7.137 4.556 ( 0.545 -0.401 5.813) 5.852 4.652 ( -3.341 4.754 6.214) 8.507 7.971 ( 7.980 -11.060 -8.201) 15.914 9.245 ( -3.037 6.237 0.649) 6.967 9.861 ( 1.808 1.174 -4.252) 4.767 9.964 ( 2.960 5.485 7.260) 9.569 10.413 ( 4.675 -3.126 -9.988) 11.462 11.115 ( 3.191 -3.229 4.751) 6.571 11.431 ( 3.699 -1.915 -6.270) 7.527 11.782 ( -7.710 6.052 6.164) 11.579 12.002 ( -3.054 -3.142 -0.754) 4.447 12.143 ( -2.761 -0.151 -7.454) 7.950 12.522 ( 2.389 -2.117 7.569) 8.215 13.003 ( 6.976 10.397 5.032) 13.494 13.286 ( -1.245 -1.556 6.505) 6.804 13.345 ( -4.400 -2.441 7.317) 8.880 13.700 ( 1.683 -4.121 -6.221) 7.650 13.937 ( -5.101 -22.543 -10.629) 25.440 14.424 ( 0.059 3.043 6.078) 6.797 15.042 ( 6.623 17.072 5.187) 19.032 ======================= Grid point 23 (24/135) ======================= q-point: (-0.23 0.34 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 9.290 -1.650 11.103) 14.570 1.146 ( 7.467 -6.463 18.562) 21.026 1.545 ( 0.646 1.889 2.537) 3.228 1.609 ( -0.364 0.249 8.653) 8.664 1.833 ( 7.238 -0.233 4.098) 8.321 1.972 ( 3.812 -0.698 2.449) 4.584 2.135 ( -1.479 1.512 -0.232) 2.128 2.182 ( 4.236 2.043 4.403) 6.442 2.315 ( 4.043 4.652 -1.764) 6.411 2.578 ( -6.903 1.147 0.595) 7.023 2.701 ( -1.215 -5.601 0.875) 5.797 2.900 ( -1.978 0.585 -4.459) 4.913 3.146 ( -4.877 2.121 5.037) 7.325 3.328 ( 2.308 -2.582 0.260) 3.473 3.475 ( -3.305 3.036 -3.831) 5.900 4.455 ( -0.096 3.786 -6.554) 7.570 4.544 ( -0.495 0.391 -5.731) 5.765 4.726 ( 3.398 -7.119 -6.134) 9.993 7.768 ( -10.752 3.078 10.394) 15.269 9.316 ( 2.639 3.331 -5.448) 6.910 9.672 ( -7.154 -0.297 3.866) 8.137 10.053 ( 4.520 -1.485 -0.865) 4.836 10.395 ( 1.738 1.074 4.315) 4.774 11.032 ( -4.114 -0.116 2.832) 4.996 11.370 ( -1.420 -1.313 -0.347) 1.965 11.864 ( 0.256 -0.722 -4.482) 4.548 12.061 ( 2.035 -3.404 2.796) 4.853 12.255 ( 7.074 2.940 4.016) 8.650 12.541 ( 4.047 1.210 -5.457) 6.901 12.853 ( -5.790 -11.094 -3.198) 12.915 13.297 ( -0.402 2.778 -6.193) 6.799 13.384 ( -0.363 0.298 -6.578) 6.594 13.653 ( -2.946 4.134 4.331) 6.673 13.983 ( -3.024 15.587 6.501) 17.157 14.370 ( -2.040 1.242 -6.512) 6.936 15.009 ( 2.348 -13.181 -3.820) 13.923 ======================= Grid point 24 (25/135) ======================= q-point: ( 0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 0.000 10.557 7.170) 12.762 1.242 ( 0.000 5.542 5.972) 8.148 1.467 ( 0.000 0.977 1.518) 1.806 1.576 ( 0.000 2.140 1.739) 2.758 2.161 ( 0.000 -1.071 2.963) 3.151 2.276 ( 0.000 -1.847 13.535) 13.660 2.367 ( 0.000 -2.511 10.761) 11.050 2.511 ( 0.000 0.111 0.739) 0.747 2.572 ( -0.000 -3.423 0.879) 3.534 2.659 ( 0.000 3.189 17.213) 17.506 2.817 ( 0.000 5.009 7.279) 8.836 2.965 ( 0.000 0.338 4.671) 4.683 3.182 ( -0.000 -5.305 1.153) 5.429 3.324 ( -0.000 -3.830 -3.670) 5.304 3.473 ( 0.000 -1.042 4.387) 4.509 4.035 ( -0.000 -1.326 -18.068) 18.117 4.071 ( -0.000 1.503 -16.913) 16.979 4.130 ( -0.000 0.585 -15.263) 15.274 8.524 ( 0.000 -4.761 29.197) 29.583 9.631 ( 0.000 8.621 5.141) 10.038 9.951 ( -0.000 2.882 -7.763) 8.281 10.123 ( 0.000 4.361 6.704) 7.998 10.862 ( -0.000 2.036 -4.756) 5.173 10.947 ( -0.000 -17.484 -12.411) 21.442 11.092 ( -0.000 7.871 -6.106) 9.962 11.098 ( -0.000 -9.873 -8.531) 13.049 12.038 ( 0.000 -4.034 8.248) 9.181 12.326 ( -0.000 4.058 -5.535) 6.863 12.715 ( 0.000 1.060 5.064) 5.173 12.722 ( -0.000 -3.978 0.391) 3.997 13.112 ( 0.000 2.664 12.287) 12.572 13.572 ( 0.000 10.079 -3.306) 10.607 13.864 ( 0.000 -3.419 1.892) 3.908 13.897 ( 0.000 -7.307 4.144) 8.401 14.233 ( -0.000 9.926 -4.823) 11.036 14.814 ( -0.000 -6.266 -15.478) 16.698 ======================= Grid point 25 (26/135) ======================= q-point: (-0.03 -0.41 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -6.111 -0.000 -0.214) 6.115 1.543 ( -3.117 -0.000 -7.694) 8.302 1.833 ( -9.327 -0.000 -1.992) 9.538 2.050 ( 2.376 0.000 3.301) 4.068 2.068 ( -9.037 -0.000 -1.903) 9.236 2.159 ( 3.464 0.000 3.190) 4.710 2.304 ( 0.466 -0.000 -0.722) 0.859 2.665 ( -5.346 -0.000 -1.221) 5.484 2.672 ( 2.749 -0.000 -7.392) 7.886 2.784 ( -0.940 -0.000 -6.784) 6.849 2.863 ( 8.718 -0.000 -4.457) 9.792 3.023 ( 7.568 0.000 1.763) 7.771 3.202 ( 0.749 -0.000 -22.075) 22.088 3.204 ( -0.723 0.000 1.306) 1.493 3.367 ( 2.559 0.000 8.381) 8.763 3.617 ( 0.031 0.000 22.013) 22.013 4.043 ( -4.699 0.000 9.375) 10.486 4.085 ( -1.093 -0.000 -0.064) 1.095 8.975 ( 0.393 -0.000 -24.065) 24.069 9.329 ( 2.093 -0.000 -4.037) 4.547 9.409 ( 4.486 -0.000 -1.485) 4.725 9.799 ( 10.683 0.000 24.840) 27.040 10.791 ( -12.915 0.000 9.342) 15.940 11.079 ( 5.845 -0.000 -5.974) 8.358 11.263 ( -2.059 -0.000 -5.857) 6.208 11.376 ( -3.553 0.000 8.212) 8.947 12.261 ( -0.140 -0.000 -5.227) 5.229 12.304 ( 2.079 -0.000 -6.495) 6.820 12.533 ( -6.823 -0.000 1.045) 6.902 12.842 ( 8.767 -0.000 -4.457) 9.835 13.031 ( -2.005 0.000 3.155) 3.739 13.100 ( 1.395 0.000 2.932) 3.247 13.663 ( 1.476 0.000 3.985) 4.250 13.838 ( 6.465 0.000 6.069) 8.868 14.369 ( -5.612 -0.000 -3.079) 6.401 14.627 ( 4.653 0.000 3.309) 5.710 ======================= Grid point 26 (27/135) ======================= q-point: (-0.44 0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 8.184 -5.497 -7.483) 12.377 1.444 ( 11.888 -8.038 -8.941) 16.908 1.580 ( 2.789 -3.962 -3.412) 5.926 1.689 ( 8.162 1.872 -3.023) 8.903 1.897 ( -0.469 1.874 -17.564) 17.670 2.014 ( 1.564 -0.192 -10.751) 10.866 2.140 ( -4.516 2.853 -1.825) 5.645 2.276 ( -0.429 -1.229 -3.324) 3.570 2.315 ( 0.172 -1.069 -13.632) 13.675 2.580 ( -2.497 6.281 2.228) 7.117 2.855 ( -2.481 0.819 -4.926) 5.576 2.921 ( 0.528 -6.170 1.556) 6.385 3.227 ( 2.706 3.063 2.392) 4.735 3.325 ( -3.111 1.791 -2.036) 4.127 3.345 ( -2.215 3.411 2.725) 4.896 4.242 ( -1.904 0.470 12.908) 13.056 4.377 ( -0.455 0.516 11.185) 11.206 4.546 ( 5.229 -2.419 12.631) 13.883 8.020 ( -0.163 9.157 -21.706) 23.559 9.359 ( -7.987 -6.307 1.164) 10.243 9.858 ( -7.245 -4.459 9.862) 13.024 10.128 ( -1.241 -2.725 -11.363) 11.751 10.420 ( -3.111 7.325 -6.230) 10.107 11.072 ( 3.165 -2.001 3.111) 4.869 11.450 ( -2.545 7.166 6.840) 10.228 11.629 ( 6.247 -2.187 9.227) 11.355 11.970 ( 7.638 -0.561 -1.078) 7.734 12.343 ( -0.680 2.006 -1.712) 2.724 12.468 ( -1.970 -10.921 -6.593) 12.908 12.879 ( 4.106 6.087 2.799) 7.858 13.141 ( 2.997 4.379 3.497) 6.355 13.370 ( -7.997 -9.481 4.302) 13.128 13.660 ( -2.821 8.204 -4.710) 9.872 13.872 ( 2.467 6.636 -8.523) 11.080 14.328 ( -4.737 -2.947 8.786) 10.407 15.057 ( -1.549 -3.979 12.436) 13.148 ======================= Grid point 27 (28/135) ======================= q-point: ( 0.16 -0.16 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -6.673 14.479 0.000) 15.943 0.492 ( -12.224 10.840 0.000) 16.338 1.067 ( -23.985 21.723 0.000) 32.360 1.471 ( -5.910 0.363 -0.000) 5.921 1.483 ( -2.367 2.502 0.000) 3.445 1.541 ( 1.066 -3.575 -0.000) 3.730 1.994 ( -1.228 -1.476 -0.000) 1.921 2.215 ( 0.926 0.304 0.000) 0.974 2.401 ( 2.841 -0.863 0.000) 2.970 2.782 ( 1.856 0.693 0.000) 1.982 2.864 ( 3.953 -1.749 -0.000) 4.322 2.924 ( -5.918 -6.295 -0.000) 8.640 3.017 ( 0.465 1.883 0.000) 1.940 3.428 ( 2.440 -1.715 -0.000) 2.982 3.633 ( 1.663 -3.993 -0.000) 4.326 4.560 ( 1.665 -0.776 -0.000) 1.837 4.623 ( 0.368 -0.487 -0.000) 0.611 4.656 ( -2.395 2.146 0.000) 3.216 8.020 ( 3.740 -19.202 -0.000) 19.563 9.184 ( -1.585 13.501 0.000) 13.593 9.705 ( -4.999 5.841 0.000) 7.688 10.206 ( -2.356 5.250 0.000) 5.755 10.519 ( 21.941 -1.824 0.000) 22.017 11.289 ( -4.343 -12.128 -0.000) 12.882 11.343 ( -0.144 2.586 0.000) 2.590 11.636 ( -4.046 2.232 0.000) 4.621 11.965 ( -3.621 -1.442 -0.000) 3.898 12.013 ( 1.252 -1.486 -0.000) 1.943 12.714 ( 7.655 -5.028 -0.000) 9.159 13.205 ( -2.865 4.141 0.000) 5.035 13.315 ( -4.276 -0.107 -0.000) 4.278 13.393 ( 0.253 -2.061 -0.000) 2.077 13.473 ( -18.253 -20.910 -0.000) 27.756 13.624 ( 1.374 -2.746 -0.000) 3.070 14.407 ( -5.021 4.658 0.000) 6.849 15.432 ( 22.095 19.300 0.000) 29.337 ======================= Grid point 28 (29/135) ======================= q-point: (-0.24 0.46 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 5.296 0.061 5.627) 7.727 1.596 ( 2.818 0.170 1.993) 3.456 1.737 ( 3.199 -1.976 24.294) 24.583 1.856 ( -2.067 -0.357 16.087) 16.223 1.930 ( -4.671 2.541 2.430) 5.846 2.089 ( 2.453 2.352 1.110) 3.575 2.106 ( 2.055 0.289 0.930) 2.274 2.242 ( -5.618 3.546 6.926) 9.597 2.447 ( 1.732 -0.514 6.606) 6.848 2.502 ( -5.012 -0.334 1.176) 5.159 2.745 ( 5.960 -6.403 -2.222) 9.026 2.808 ( 0.910 3.264 0.437) 3.417 3.053 ( -4.224 -4.227 -2.774) 6.588 3.307 ( -2.523 2.775 -3.652) 5.234 3.410 ( -1.200 0.211 2.098) 2.426 4.275 ( 0.652 4.407 -12.295) 13.077 4.371 ( -0.251 1.016 -10.999) 11.048 4.599 ( 0.693 -6.574 -11.231) 13.032 7.932 ( -5.250 -2.269 24.991) 25.637 9.250 ( 3.128 9.330 -3.711) 10.517 9.649 ( 2.282 -7.155 -5.106) 9.082 10.115 ( -0.745 10.935 4.274) 11.764 10.523 ( 0.254 -1.007 5.541) 5.638 10.952 ( -0.572 -10.197 -11.733) 15.556 11.298 ( -6.786 -1.563 4.573) 8.331 11.822 ( 1.872 2.309 -0.648) 3.042 12.119 ( 0.999 -1.432 0.200) 1.757 12.506 ( 9.028 2.127 4.035) 10.115 12.563 ( 4.138 3.083 -3.897) 6.466 12.754 ( 2.269 -6.442 -1.237) 6.941 13.126 ( -3.213 1.480 -6.644) 7.526 13.257 ( -1.978 -3.640 -4.603) 6.193 13.599 ( -7.220 5.648 1.309) 9.259 13.835 ( -9.412 -4.406 -0.782) 10.421 14.335 ( 5.421 12.337 -2.899) 13.784 14.957 ( 2.710 -8.121 -8.134) 11.809 ======================= Grid point 29 (30/135) ======================= q-point: ( 0.36 0.08 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 8.305 6.833 5.546) 12.100 1.358 ( 4.391 -3.460 0.401) 5.605 1.569 ( 4.922 3.391 2.496) 6.477 1.644 ( 3.693 -1.182 1.443) 4.137 2.196 ( -0.467 2.269 2.017) 3.071 2.339 ( -1.625 -3.792 -3.224) 5.236 2.415 ( -4.643 0.414 2.976) 5.530 2.485 ( -3.015 -2.067 -1.113) 3.822 2.704 ( 1.949 0.558 8.696) 8.929 2.812 ( 3.237 3.358 -1.080) 4.787 3.111 ( -1.777 0.151 14.857) 14.964 3.164 ( -2.532 0.570 2.588) 3.665 3.221 ( -2.556 -1.291 5.079) 5.831 3.264 ( 1.216 -0.767 9.099) 9.212 3.580 ( -2.166 0.646 -6.885) 7.247 3.650 ( -0.442 -3.001 -1.029) 3.204 3.782 ( 3.304 -2.789 -17.637) 18.159 3.821 ( 1.935 2.025 -15.119) 15.376 9.132 ( -0.296 3.292 31.064) 31.239 9.649 ( -7.007 3.068 0.650) 7.677 9.695 ( -7.590 1.051 -2.943) 8.208 10.137 ( 3.109 -7.329 -24.708) 25.959 10.544 ( -4.227 6.581 0.879) 7.871 10.781 ( 1.481 -5.993 -4.313) 7.531 11.041 ( 5.263 4.486 -0.114) 6.916 11.192 ( 2.835 -8.042 -0.554) 8.545 12.194 ( 0.954 -4.047 6.664) 7.855 12.230 ( 0.517 3.295 -4.409) 5.528 12.737 ( 1.148 1.654 0.378) 2.049 12.785 ( 3.380 -3.045 -0.630) 4.593 13.332 ( -5.383 3.275 10.815) 12.517 13.441 ( -6.770 5.775 -2.146) 9.154 13.837 ( -4.240 -0.162 0.505) 4.273 13.895 ( -0.879 -0.300 -3.789) 3.901 14.232 ( 3.757 7.466 2.424) 8.703 14.562 ( -0.573 -11.171 -8.934) 14.315 ======================= Grid point 30 (31/135) ======================= q-point: (-0.04 -0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.670 -0.000 -12.461) 14.134 1.300 ( -15.793 -0.000 -0.103) 15.794 1.550 ( -7.233 -0.000 -3.961) 8.247 1.795 ( -10.011 -0.000 -2.905) 10.424 2.138 ( 2.567 -0.000 -0.470) 2.609 2.289 ( 2.387 -0.000 -6.590) 7.009 2.344 ( 3.125 -0.000 -2.332) 3.900 2.436 ( -0.506 -0.000 -20.233) 20.239 2.507 ( 3.470 -0.000 -2.747) 4.426 2.586 ( -1.747 -0.000 -10.481) 10.625 2.877 ( -1.070 -0.000 -5.809) 5.907 2.907 ( 4.031 -0.000 -4.685) 6.180 3.215 ( 5.111 0.000 4.267) 6.658 3.333 ( 2.687 0.000 6.567) 7.095 3.465 ( 0.081 -0.000 -4.602) 4.603 4.024 ( 0.654 0.000 17.988) 18.000 4.129 ( -3.596 0.000 11.735) 12.274 4.202 ( -2.314 0.000 12.877) 13.083 8.623 ( 6.941 -0.000 -18.884) 20.120 9.255 ( -0.820 -0.000 -4.922) 4.989 9.590 ( 8.940 0.000 4.435) 9.979 10.169 ( -2.922 -0.000 -4.369) 5.256 10.750 ( 1.440 0.000 8.585) 8.705 10.997 ( 0.760 -0.000 -8.715) 8.748 11.383 ( -1.218 0.000 19.956) 19.993 11.430 ( -3.210 0.000 4.064) 5.179 12.165 ( -0.721 -0.000 -3.354) 3.431 12.183 ( 1.213 -0.000 -7.134) 7.236 12.441 ( 0.501 -0.000 -3.506) 3.542 12.927 ( 7.884 -0.000 -4.247) 8.955 13.065 ( -1.795 0.000 4.098) 4.474 13.166 ( -2.479 0.000 3.136) 3.997 13.810 ( 4.177 0.000 2.823) 5.041 14.074 ( 0.263 0.000 8.814) 8.818 14.227 ( -6.254 0.000 2.285) 6.658 14.801 ( 7.485 0.000 1.091) 7.564 ======================= Grid point 31 (32/135) ======================= q-point: (-0.44 0.33 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 7.706 -6.789 -7.101) 12.486 1.278 ( 5.652 -5.501 -15.027) 16.971 1.492 ( -1.461 2.717 -10.439) 10.886 1.613 ( -0.121 -0.595 -4.998) 5.035 1.844 ( 7.584 -0.971 -3.950) 8.606 1.942 ( -3.971 4.101 -0.269) 5.715 2.109 ( 1.906 0.600 0.324) 2.024 2.135 ( 2.278 1.793 -3.168) 4.294 2.305 ( 6.664 -3.036 -0.612) 7.349 2.532 ( -5.186 2.731 -0.331) 5.870 2.699 ( -2.308 4.621 -3.746) 6.381 2.948 ( -3.296 -4.539 3.989) 6.883 3.146 ( -3.992 -1.139 -4.938) 6.451 3.351 ( 3.141 0.425 2.589) 4.092 3.398 ( -0.559 3.840 2.804) 4.788 4.405 ( -0.943 1.014 6.688) 6.830 4.538 ( -0.340 0.297 5.841) 5.859 4.847 ( 4.497 -4.145 6.927) 9.240 7.663 ( -2.388 7.129 -11.911) 14.086 9.281 ( -6.650 -0.301 6.800) 9.516 9.662 ( -6.169 0.226 -11.577) 13.120 10.096 ( 0.169 -2.150 10.662) 10.878 10.389 ( 3.419 -0.908 -1.576) 3.873 11.014 ( -0.541 1.946 -13.368) 13.519 11.421 ( -0.728 -3.075 4.299) 5.336 11.844 ( -0.013 2.169 4.658) 5.138 12.160 ( 0.429 -1.425 -9.704) 9.818 12.223 ( 7.043 -3.990 4.288) 9.160 12.525 ( 4.034 -0.142 2.400) 4.696 13.062 ( -1.902 -4.223 10.578) 11.548 13.223 ( -1.248 2.184 5.281) 5.850 13.387 ( 0.089 -0.037 4.269) 4.270 13.521 ( -1.739 7.934 -4.177) 9.133 13.712 ( 2.375 6.766 -12.254) 14.198 14.380 ( -6.089 -0.774 7.883) 9.990 15.209 ( -0.501 -5.941 5.569) 8.158 ======================= Grid point 32 (33/135) ======================= q-point: ( 0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 0.000 11.992 7.656) 14.227 0.579 ( 0.000 15.104 12.929) 19.882 1.125 ( 0.000 17.912 32.057) 36.721 1.428 ( 0.000 0.719 2.247) 2.360 1.458 ( 0.000 2.757 0.326) 2.777 1.675 ( 0.000 -2.764 11.639) 11.963 2.064 ( 0.000 -1.615 8.018) 8.179 2.221 ( -0.000 0.643 -0.256) 0.692 2.430 ( 0.000 1.968 -0.296) 1.990 2.785 ( -0.000 0.781 -1.847) 2.006 2.816 ( -0.000 -6.554 -1.746) 6.782 2.915 ( 0.000 -1.038 0.651) 1.226 3.092 ( 0.000 -0.756 5.713) 5.763 3.441 ( -0.000 -1.193 -1.319) 1.778 3.607 ( -0.000 -3.789 -4.203) 5.659 4.529 ( -0.000 1.049 -6.638) 6.720 4.542 ( -0.000 0.106 -6.972) 6.973 4.570 ( -0.000 -0.472 -5.839) 5.858 8.127 ( -0.000 -20.788 7.021) 21.941 9.204 ( 0.000 15.414 2.998) 15.703 9.693 ( 0.000 5.552 4.971) 7.453 10.123 ( -0.000 5.310 -4.993) 7.288 10.965 ( 0.000 -6.217 7.236) 9.540 10.999 ( -0.000 0.205 -2.680) 2.688 11.252 ( -0.000 2.741 -7.172) 7.678 11.810 ( 0.000 -7.024 7.375) 10.185 11.878 ( -0.000 -2.606 -2.974) 3.954 12.094 ( 0.000 4.140 6.693) 7.870 12.834 ( -0.000 -7.660 -13.203) 15.264 12.845 ( -0.000 -6.424 -0.689) 6.461 13.063 ( -0.000 -0.270 -3.598) 3.609 13.374 ( 0.000 18.186 -1.610) 18.257 13.743 ( 0.000 -2.948 7.559) 8.113 13.764 ( 0.000 -21.866 21.116) 30.398 14.302 ( -0.000 5.207 -3.966) 6.545 15.457 ( -0.000 11.546 -22.156) 24.984 ======================= Grid point 33 (34/135) ======================= q-point: ( 0.75 -0.42 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -1.828 2.932 2.586) 4.315 1.691 ( 0.895 -1.589 -0.887) 2.028 1.842 ( -5.780 1.546 2.772) 6.594 1.949 ( -1.619 -3.012 1.952) 3.938 2.042 ( -4.626 4.779 -0.702) 6.689 2.154 ( 0.320 1.411 8.524) 8.646 2.289 ( -6.428 -1.488 9.336) 11.432 2.382 ( 2.624 1.047 11.095) 11.449 2.526 ( 2.199 -3.320 14.011) 14.566 2.584 ( -2.282 3.316 8.882) 9.752 2.848 ( 2.865 -3.072 0.939) 4.304 2.913 ( 1.777 -6.276 0.096) 6.523 2.974 ( 6.986 0.456 0.987) 7.070 3.222 ( -1.597 1.212 -0.546) 2.078 3.393 ( -2.972 -1.114 1.743) 3.621 4.005 ( 0.351 3.464 -15.821) 16.199 4.096 ( -1.608 0.707 -15.053) 15.155 4.348 ( -1.183 -0.854 -12.298) 12.384 8.519 ( 1.246 -2.228 36.904) 36.992 9.319 ( 7.793 6.230 -2.203) 10.217 9.577 ( 7.349 0.688 -10.342) 12.706 10.164 ( 0.685 -2.311 -2.705) 3.623 10.411 ( -6.811 -5.866 -12.433) 15.342 10.772 ( -2.646 1.405 5.535) 6.294 11.276 ( -4.189 -2.064 4.996) 6.839 11.806 ( 0.079 4.135 -10.544) 11.326 12.151 ( 0.614 3.618 3.933) 5.379 12.484 ( -4.433 1.940 -0.742) 4.896 12.731 ( 3.736 0.433 -2.414) 4.469 12.863 ( 5.037 -5.281 1.374) 7.426 13.009 ( 5.490 0.798 -1.709) 5.805 13.095 ( -5.775 -4.807 -1.232) 7.615 13.502 ( -2.240 0.530 2.562) 3.444 13.761 ( 2.671 -3.347 -0.700) 4.339 14.398 ( 3.415 10.322 -0.491) 10.884 14.787 ( -0.254 -5.032 -11.302) 12.374 ======================= Grid point 34 (35/135) ======================= q-point: (-0.65 0.20 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.936 0.540 -3.281) 6.804 1.498 ( 7.288 -3.206 4.044) 8.930 1.727 ( 7.278 1.533 -0.279) 7.443 1.789 ( 7.514 -3.726 0.688) 8.415 2.182 ( -3.645 4.632 -2.537) 6.417 2.241 ( -1.099 -1.319 -2.375) 2.931 2.344 ( -1.903 0.777 -2.342) 3.116 2.419 ( 0.030 -1.988 1.707) 2.620 2.728 ( 0.704 0.492 -12.062) 12.093 2.916 ( 3.243 1.970 6.182) 7.254 3.046 ( -4.685 2.258 -12.844) 13.857 3.075 ( -4.613 -0.944 -4.726) 6.671 3.100 ( -5.863 -1.379 -4.845) 7.730 3.283 ( 0.639 1.325 -5.891) 6.072 3.536 ( -0.286 6.912 -4.651) 8.337 3.661 ( 2.002 -4.725 3.263) 6.081 3.745 ( 0.893 1.996 18.199) 18.329 3.966 ( 3.076 -5.414 15.192) 16.418 9.229 ( -0.127 -5.004 -29.412) 29.835 9.472 ( -7.774 2.052 8.104) 11.415 9.551 ( -11.800 -2.807 -9.230) 15.242 9.965 ( -0.040 7.932 30.496) 31.511 10.482 ( -2.251 12.096 -6.761) 14.039 10.752 ( 4.164 -7.975 -6.515) 11.108 11.221 ( 1.617 -4.936 0.345) 5.205 11.331 ( 8.168 -3.259 12.883) 15.598 12.170 ( 2.638 1.433 -5.526) 6.289 12.335 ( 3.575 -3.200 2.552) 5.435 12.760 ( 2.102 3.404 -2.348) 4.638 12.872 ( 3.253 -2.442 2.623) 4.840 13.194 ( -8.202 0.723 -5.697) 10.012 13.289 ( -10.317 3.173 3.760) 11.431 13.662 ( -4.336 5.612 -4.812) 8.570 13.852 ( -4.277 -1.070 3.036) 5.353 14.330 ( 0.518 -1.679 -4.824) 5.133 14.549 ( 2.690 -2.897 10.375) 11.103 ======================= Grid point 35 (36/135) ======================= q-point: (-0.05 -0.17 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( -6.656 -0.000 -15.696) 17.049 0.805 ( -23.064 -0.000 -5.443) 23.698 1.435 ( -1.031 -0.000 -1.365) 1.711 1.554 ( -6.998 -0.000 -2.747) 7.518 1.802 ( -3.098 -0.000 -36.867) 36.997 1.981 ( 0.972 -0.000 -16.877) 16.905 2.204 ( 0.375 0.000 0.178) 0.415 2.300 ( -0.313 -0.000 -12.596) 12.600 2.392 ( 0.613 0.000 0.108) 0.622 2.672 ( 3.927 0.000 4.263) 5.796 2.863 ( -1.477 0.000 3.092) 3.427 2.908 ( 1.745 -0.000 -1.071) 2.048 3.274 ( -1.564 -0.000 -9.153) 9.285 3.376 ( 2.588 0.000 3.363) 4.244 3.515 ( 1.684 0.000 6.677) 6.886 4.334 ( 0.352 0.000 12.105) 12.111 4.349 ( -1.057 0.000 13.032) 13.075 4.411 ( -0.497 0.000 10.678) 10.690 8.487 ( 6.407 -0.000 -10.776) 12.537 9.110 ( -2.603 -0.000 -5.510) 6.094 9.852 ( -5.847 -0.000 -10.010) 11.593 9.896 ( 6.927 0.000 6.762) 9.681 10.866 ( 5.245 -0.000 -7.516) 9.165 11.014 ( 2.669 0.000 9.737) 10.096 11.350 ( -7.824 -0.000 -1.694) 8.005 11.755 ( 5.501 0.000 6.949) 8.863 12.077 ( -4.102 -0.000 -2.355) 4.730 12.093 ( -1.290 -0.000 -1.735) 2.162 12.514 ( 9.880 0.000 3.782) 10.579 13.011 ( 3.772 0.000 -0.191) 3.777 13.102 ( -1.313 0.000 2.586) 2.900 13.103 ( -9.416 0.000 4.035) 10.244 13.876 ( 1.763 -0.000 -3.438) 3.864 14.185 ( -4.115 0.000 7.468) 8.526 14.216 ( -2.520 0.000 5.667) 6.202 14.968 ( 8.447 -0.000 -1.531) 8.585 ======================= Grid point 36 (37/135) ======================= q-point: (-0.45 0.45 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 3.629 -5.896 -0.000) 6.923 1.304 ( -2.696 4.357 0.000) 5.124 1.325 ( 5.213 -4.127 -0.000) 6.649 1.556 ( -1.220 3.302 0.000) 3.520 1.849 ( 0.650 0.123 0.000) 0.661 1.863 ( -2.277 1.461 0.000) 2.706 2.110 ( -0.735 -0.134 -0.000) 0.747 2.250 ( 0.121 0.964 0.000) 0.971 2.361 ( -1.579 -0.037 -0.000) 1.580 2.466 ( 5.345 -4.116 -0.000) 6.746 2.614 ( -5.106 8.894 0.000) 10.255 2.942 ( 0.957 -1.955 -0.000) 2.177 3.055 ( 1.188 -1.769 -0.000) 2.131 3.390 ( -1.720 1.758 0.000) 2.460 3.430 ( -0.360 -2.112 -0.000) 2.142 4.464 ( 0.241 1.559 0.000) 1.578 4.591 ( -0.129 0.026 -0.000) 0.131 4.981 ( 1.002 -3.660 -0.000) 3.795 7.458 ( -5.117 -2.098 -0.000) 5.531 9.288 ( -0.950 4.019 0.000) 4.130 9.482 ( 3.174 2.595 0.000) 4.100 10.271 ( 1.013 -2.821 -0.000) 2.998 10.431 ( 1.203 -0.144 0.000) 1.212 10.785 ( -1.486 2.239 0.000) 2.687 11.516 ( 2.292 -1.218 -0.000) 2.596 11.859 ( -1.229 0.226 -0.000) 1.250 12.049 ( -1.360 -1.644 -0.000) 2.134 12.369 ( 2.978 -0.537 0.000) 3.026 12.611 ( 1.366 2.719 0.000) 3.043 13.109 ( -2.378 -16.648 -0.000) 16.817 13.331 ( -0.626 0.276 0.000) 0.684 13.397 ( -5.062 7.327 0.000) 8.905 13.438 ( -1.460 -0.153 -0.000) 1.468 13.596 ( 3.204 10.532 0.000) 11.009 14.390 ( 0.148 0.119 0.000) 0.190 15.272 ( 1.357 -3.698 -0.000) 3.939 ======================= Grid point 37 (38/135) ======================= q-point: ( 0.15 0.07 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 12.099 2.292 10.367) 16.097 0.968 ( 12.982 10.094 9.037) 18.764 1.462 ( 1.431 2.327 1.593) 3.162 1.552 ( 6.367 -0.101 2.551) 6.859 1.858 ( 2.567 4.639 30.944) 31.395 1.967 ( -0.612 -1.327 17.768) 17.828 2.205 ( -0.516 0.012 0.936) 1.069 2.294 ( 0.462 -0.429 12.605) 12.621 2.385 ( -3.509 -0.287 -0.308) 3.534 2.702 ( -2.309 0.849 -3.385) 4.185 2.808 ( 1.978 -2.624 -2.280) 4.000 2.918 ( -1.033 -0.156 1.373) 1.726 3.236 ( 1.712 -3.012 6.001) 6.929 3.385 ( -2.521 0.597 -0.427) 2.625 3.481 ( -1.747 -3.211 -6.292) 7.277 4.302 ( -1.601 -1.280 -12.675) 12.840 4.387 ( 0.764 1.442 -12.228) 12.336 4.410 ( 2.096 0.437 -11.200) 11.403 8.303 ( -2.895 -14.030 14.173) 20.151 9.267 ( -1.336 11.602 4.076) 12.369 9.905 ( 5.876 4.921 8.994) 11.817 9.935 ( -6.758 3.727 -6.946) 10.383 10.822 ( -9.775 -5.257 8.135) 13.761 11.010 ( -0.843 -0.612 -7.136) 7.212 11.335 ( 10.133 0.592 -2.504) 10.455 11.690 ( -2.368 -6.534 -12.483) 14.287 11.968 ( 0.714 -5.602 7.032) 9.019 12.248 ( 1.602 10.263 2.055) 10.589 12.482 ( -7.894 -2.688 -1.147) 8.418 12.923 ( 4.494 -6.650 -2.339) 8.360 13.102 ( 6.515 -0.906 -3.176) 7.305 13.268 ( -5.821 13.371 -1.648) 14.676 13.843 ( -2.061 -3.234 3.804) 5.401 14.034 ( 1.941 -13.059 4.237) 13.865 14.246 ( 3.535 4.560 -6.465) 8.666 15.050 ( -6.404 5.241 -9.269) 12.426 ======================= Grid point 38 (39/135) ======================= q-point: (-0.25 -0.30 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -8.497 -1.154 -1.463) 8.698 1.582 ( -4.049 4.000 -4.158) 7.049 1.705 ( -7.759 -0.212 -1.204) 7.854 1.862 ( -6.513 3.208 -2.378) 7.640 2.058 ( 1.727 -6.577 4.394) 8.096 2.245 ( 3.053 -0.596 0.251) 3.121 2.350 ( 3.496 0.704 4.276) 5.568 2.495 ( -3.091 5.034 0.045) 5.907 2.721 ( -0.622 -0.222 9.647) 9.670 2.820 ( -2.814 -6.199 -0.677) 6.842 2.987 ( 7.279 -2.417 8.048) 11.117 3.113 ( 5.288 0.912 10.153) 11.484 3.152 ( 3.229 3.841 6.677) 8.353 3.258 ( -0.381 -0.823 2.960) 3.096 3.401 ( 1.099 -5.923 4.031) 7.248 3.678 ( 0.467 -1.220 -19.543) 19.587 3.775 ( -5.580 2.928 -3.942) 7.433 4.085 ( -2.566 5.102 -10.805) 12.221 9.293 ( 2.186 0.724 29.240) 29.331 9.424 ( 7.977 -2.032 -7.652) 11.239 9.616 ( 10.307 4.069 -4.837) 12.090 9.841 ( 4.276 -4.708 -16.425) 17.614 10.295 ( -4.379 -5.721 7.177) 10.169 10.842 ( -6.977 1.585 9.023) 11.516 11.326 ( -0.876 4.099 2.859) 5.074 11.402 ( -7.110 2.856 -15.395) 17.196 12.230 ( 0.692 8.073 -0.096) 8.103 12.382 ( -4.259 1.463 -0.710) 4.559 12.669 ( -0.236 -6.030 -1.286) 6.171 12.895 ( -2.229 -0.164 0.123) 2.238 13.119 ( 4.749 -10.380 2.244) 11.633 13.195 ( 10.188 0.382 -1.926) 10.376 13.598 ( 3.069 -1.062 5.338) 6.248 13.848 ( 3.183 -0.773 1.426) 3.572 14.381 ( -2.583 2.535 -7.473) 8.303 14.626 ( 2.199 3.580 -0.300) 4.212 ======================= Grid point 39 (40/135) ======================= q-point: (-0.65 0.32 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 3.538 -2.431 -4.577) 6.275 1.717 ( 3.669 -1.214 4.669) 6.061 1.814 ( 2.318 0.498 -6.402) 6.827 1.937 ( 5.636 -4.365 -1.187) 7.226 2.001 ( -0.697 2.023 -2.526) 3.310 2.131 ( -0.135 -0.987 -9.309) 9.362 2.307 ( 2.615 0.025 -14.612) 14.844 2.412 ( 0.218 3.761 -2.515) 4.529 2.511 ( 3.453 -2.120 -6.861) 7.968 2.593 ( -2.418 1.438 -16.165) 16.408 2.889 ( -5.979 1.239 -3.815) 7.200 2.953 ( -5.562 -1.747 0.012) 5.829 3.064 ( 0.365 7.305 2.023) 7.589 3.181 ( 1.117 -2.640 0.737) 2.960 3.429 ( 1.877 2.221 -6.495) 7.116 3.925 ( -1.173 -3.225 16.808) 17.155 4.095 ( 0.008 0.323 15.757) 15.760 4.359 ( 3.122 0.144 16.705) 16.994 8.555 ( 1.187 0.692 -35.601) 35.627 9.204 ( -10.247 -4.167 -0.115) 11.063 9.560 ( -4.476 -0.639 12.341) 13.143 10.217 ( -2.621 3.177 -12.788) 13.435 10.566 ( 3.890 7.605 13.215) 15.736 10.728 ( 1.078 -2.428 7.699) 8.145 11.296 ( 2.924 -0.184 2.005) 3.551 11.706 ( 2.686 -4.527 7.931) 9.519 12.121 ( 2.972 0.613 -3.765) 4.836 12.448 ( 5.888 -2.017 -1.002) 6.304 12.668 ( -5.396 -4.517 -4.746) 8.487 12.966 ( 2.620 -1.311 -3.558) 4.609 12.990 ( -6.900 3.563 5.231) 9.363 13.196 ( -0.041 3.758 2.783) 4.677 13.526 ( -2.243 3.359 -1.991) 4.503 13.842 ( -1.894 4.372 3.936) 6.180 14.204 ( -3.548 -7.605 -3.077) 8.938 14.852 ( 1.448 1.187 12.832) 12.967 ======================= Grid point 40 (41/135) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.249 ( -0.000 -0.000 -12.334) 12.334 0.369 ( -0.000 -0.000 -18.567) 18.567 0.917 ( -0.000 -0.000 -45.368) 45.368 1.423 ( -0.000 -0.000 -1.730) 1.730 1.427 ( -0.000 -0.000 -0.296) 0.296 1.704 ( -0.000 -0.000 -11.069) 11.069 2.081 ( -0.000 -0.000 -8.050) 8.050 2.213 ( 0.000 0.000 0.183) 0.183 2.410 ( 0.000 0.000 0.498) 0.498 2.775 ( 0.000 0.000 2.052) 2.052 2.888 ( 0.000 0.000 1.584) 1.584 2.923 ( -0.000 -0.000 -0.130) 0.130 3.118 ( -0.000 -0.000 -4.941) 4.941 3.453 ( 0.000 0.000 1.773) 1.773 3.648 ( 0.000 0.000 4.470) 4.470 4.514 ( 0.000 0.000 5.967) 5.967 4.542 ( 0.000 0.000 7.183) 7.183 4.575 ( 0.000 0.000 5.869) 5.869 8.414 ( -0.000 -0.000 -4.816) 4.816 8.977 ( -0.000 -0.000 -3.558) 3.558 9.635 ( -0.000 -0.000 -5.393) 5.393 10.067 ( 0.000 0.000 4.528) 4.528 10.994 ( 0.000 0.000 1.942) 1.942 11.032 ( -0.000 -0.000 -9.316) 9.316 11.221 ( 0.000 0.000 8.233) 8.233 11.863 ( -0.000 -0.000 -7.617) 7.617 11.902 ( -0.000 -0.000 -1.705) 1.705 12.051 ( -0.000 -0.000 -0.689) 0.689 12.939 ( 0.000 0.000 16.107) 16.107 12.976 ( 0.000 0.000 1.464) 1.464 13.045 ( 0.000 0.000 1.365) 1.365 13.106 ( -0.000 -0.000 -0.400) 0.400 13.774 ( -0.000 -0.000 -7.516) 7.516 14.244 ( 0.000 0.000 4.148) 4.148 14.291 ( 0.000 0.000 3.504) 3.504 15.079 ( 0.000 0.000 0.003) 0.003 ======================= Grid point 41 (42/135) ======================= q-point: ( 0.54 -0.43 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -4.996 7.375 4.649) 10.048 1.319 ( 1.058 -1.647 13.423) 13.565 1.474 ( -2.674 0.950 14.781) 15.051 1.625 ( 2.674 0.415 4.166) 4.968 1.852 ( 2.479 -3.489 -0.910) 4.376 1.882 ( -7.390 2.858 4.637) 9.181 2.089 ( -0.389 -1.361 0.122) 1.421 2.112 ( -3.919 -0.785 2.773) 4.865 2.403 ( -2.608 4.947 -1.775) 5.868 2.463 ( -1.309 -4.158 -0.853) 4.442 2.639 ( 2.947 0.922 6.861) 7.524 3.012 ( 6.246 1.103 -3.005) 7.018 3.151 ( 4.066 -1.482 2.483) 4.990 3.316 ( -0.597 -1.343 -4.464) 4.700 3.350 ( -5.779 -1.492 -0.308) 5.976 4.415 ( 1.380 2.019 -6.681) 7.114 4.533 ( 0.106 -0.183 -5.825) 5.829 4.875 ( -3.502 -1.685 -7.780) 8.697 7.494 ( -4.913 -8.836 15.274) 18.317 9.328 ( 10.794 4.390 -5.599) 12.928 9.694 ( 5.325 3.117 9.836) 11.611 10.128 ( 2.161 1.112 -12.030) 12.273 10.428 ( -2.373 2.371 0.899) 3.473 10.959 ( -2.385 -3.234 14.735) 15.273 11.460 ( 2.342 0.028 -9.346) 9.635 11.805 ( -1.529 -1.157 -3.535) 4.021 12.100 ( -2.707 -4.289 7.119) 8.741 12.394 ( 0.656 8.799 -0.531) 8.840 12.563 ( -4.910 3.907 0.393) 6.287 12.944 ( -4.124 -9.681 -7.600) 12.981 13.232 ( -5.865 -0.863 -2.983) 6.637 13.312 ( 2.106 -4.149 -1.414) 4.863 13.443 ( 0.626 -2.844 2.173) 3.634 13.740 ( 2.443 6.663 4.806) 8.571 14.399 ( 6.313 2.125 -6.128) 9.051 15.252 ( 1.791 -1.454 -6.052) 6.477 ======================= Grid point 42 (43/135) ======================= q-point: ( 0.14 0.19 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 9.048 -0.912 9.831) 13.392 1.369 ( 11.591 5.334 1.874) 12.896 1.585 ( 7.241 3.133 3.935) 8.817 1.780 ( 9.849 -1.492 2.398) 10.245 2.135 ( -2.138 -0.194 1.699) 2.738 2.249 ( -5.876 -3.914 1.331) 7.185 2.307 ( -0.973 -1.405 10.052) 10.197 2.435 ( 0.625 0.096 14.959) 14.973 2.550 ( -0.921 1.786 12.769) 12.926 2.615 ( -0.621 1.568 0.836) 1.882 2.848 ( -0.598 0.670 7.344) 7.398 2.951 ( -1.676 2.092 5.909) 6.488 3.199 ( -3.848 -1.589 -4.544) 6.163 3.306 ( -2.696 -2.574 -5.885) 6.966 3.468 ( -0.083 0.046 5.961) 5.962 3.982 ( -0.550 -3.106 -16.833) 17.126 4.122 ( 0.461 -0.371 -14.432) 14.444 4.227 ( 4.512 1.626 -14.033) 14.830 8.583 ( -3.826 -3.160 22.105) 22.656 9.290 ( -3.992 3.092 4.181) 6.556 9.619 ( -7.870 2.404 -6.016) 10.193 10.235 ( 3.375 5.932 6.780) 9.620 10.731 ( -3.394 -3.175 -5.672) 7.333 10.907 ( -3.218 -6.955 1.881) 7.891 11.336 ( 3.129 -4.554 -17.170) 18.037 11.417 ( 6.800 0.246 -6.753) 9.586 12.147 ( 0.587 -2.956 9.760) 10.215 12.232 ( 1.219 4.740 -1.313) 5.067 12.495 ( -2.772 5.452 6.818) 9.159 12.933 ( -1.850 -1.449 0.492) 2.401 13.121 ( -4.079 6.234 -1.463) 7.592 13.160 ( 2.069 -0.400 -1.590) 2.639 13.791 ( -4.244 -2.006 -1.766) 5.016 14.034 ( 0.308 -3.251 -7.963) 8.607 14.222 ( 2.050 -0.835 0.921) 2.397 14.796 ( -4.140 -0.144 -6.100) 7.374 ======================= Grid point 43 (44/135) ======================= q-point: (-0.26 -0.18 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -11.763 -4.068 -5.441) 13.583 1.383 ( -2.855 -0.723 -9.258) 9.716 1.538 ( -3.690 0.049 -1.787) 4.100 1.668 ( -5.149 1.188 -3.933) 6.587 2.158 ( 1.052 -1.400 1.723) 2.457 2.382 ( 5.723 0.707 2.499) 6.284 2.416 ( 1.474 0.444 -2.172) 2.662 2.539 ( 1.556 3.054 2.649) 4.332 2.678 ( -2.738 -2.514 -3.977) 5.444 2.741 ( -2.079 -2.418 -3.552) 4.773 3.094 ( 0.013 -1.078 -12.525) 12.571 3.174 ( 1.789 1.039 -7.041) 7.339 3.217 ( 0.857 -0.781 -11.855) 11.912 3.297 ( 2.614 1.610 1.181) 3.289 3.560 ( 5.399 -0.763 11.109) 12.375 3.670 ( 1.180 -0.724 13.227) 13.300 3.836 ( -2.474 1.764 15.174) 15.475 3.840 ( -6.798 2.960 1.781) 7.626 9.107 ( 1.865 0.659 -25.276) 25.354 9.522 ( 4.914 -6.850 -8.201) 11.761 9.715 ( 7.892 1.139 3.978) 8.911 10.224 ( -9.110 0.709 12.115) 15.174 10.447 ( 14.277 -1.606 15.872) 21.408 10.829 ( -6.718 0.151 6.265) 9.187 10.998 ( -9.623 -0.243 0.741) 9.654 11.410 ( 2.719 9.739 -1.684) 10.251 12.204 ( -0.608 1.673 -1.074) 2.079 12.265 ( -1.495 2.392 -4.876) 5.633 12.693 ( 3.928 -2.469 -1.177) 4.787 12.862 ( -3.363 4.082 2.013) 5.659 13.183 ( 1.664 -10.577 -5.387) 11.986 13.317 ( 7.020 -5.097 -3.848) 9.490 13.808 ( 4.313 -0.990 6.829) 8.138 13.912 ( -0.831 0.344 2.860) 2.998 14.133 ( -5.734 -2.323 -3.897) 7.312 14.782 ( 3.765 8.667 5.840) 11.108 ======================= Grid point 44 (45/135) ======================= q-point: ( 0.34 -0.56 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -2.341 0.170 -3.453) 4.175 1.596 ( -1.405 0.160 -9.602) 9.706 1.781 ( -2.501 2.291 -16.082) 16.436 1.847 ( 4.176 -3.685 -5.382) 7.745 1.869 ( 0.457 -0.132 -15.392) 15.400 2.039 ( -2.470 -1.229 3.263) 4.273 2.115 ( -0.294 0.446 -0.046) 0.537 2.198 ( 3.017 -1.117 -12.741) 13.141 2.450 ( -0.666 -0.031 -5.477) 5.517 2.524 ( 0.852 1.363 -0.248) 1.627 2.738 ( 0.892 -2.404 -4.487) 5.168 2.859 ( -2.340 3.209 1.222) 4.155 3.142 ( 1.243 4.189 1.189) 4.529 3.235 ( 1.084 -3.896 3.815) 5.560 3.405 ( 0.546 -0.213 0.087) 0.593 4.205 ( -0.277 -1.872 12.765) 12.905 4.363 ( 0.118 -0.109 11.260) 11.261 4.699 ( -0.261 2.711 13.404) 13.678 7.978 ( 2.017 1.555 -25.185) 25.314 9.106 ( -1.189 -4.056 3.224) 5.316 9.749 ( -0.839 2.453 7.672) 8.098 9.946 ( 0.669 -4.555 -7.619) 8.902 10.527 ( -0.656 -0.150 -6.235) 6.271 11.141 ( -1.025 6.578 16.264) 17.574 11.314 ( 4.012 -0.404 -8.956) 9.822 11.765 ( -0.780 -2.238 3.204) 3.985 12.177 ( 0.003 3.432 3.693) 5.042 12.405 ( -3.039 -4.964 -8.224) 10.075 12.551 ( -2.441 0.233 3.224) 4.050 12.911 ( -0.257 7.718 1.462) 7.859 13.079 ( 0.162 -3.587 7.200) 8.046 13.312 ( 1.155 1.224 3.572) 3.949 13.503 ( 3.467 -2.799 -1.762) 4.792 13.906 ( 4.531 2.203 -6.181) 7.974 14.127 ( -3.809 -6.409 8.765) 11.507 15.077 ( -0.828 3.133 9.345) 9.890 ======================= Grid point 45 (46/135) ======================= q-point: (-0.06 0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 11.836 0.000 0.000) 11.836 0.355 ( 16.459 0.000 0.000) 16.459 0.806 ( 36.405 0.000 0.000) 36.405 1.456 ( 2.699 0.000 0.000) 2.699 1.467 ( 5.897 0.000 0.000) 5.897 1.578 ( -1.080 -0.000 -0.000) 1.080 2.010 ( 1.115 0.000 0.000) 1.115 2.211 ( -0.385 -0.000 -0.000) 0.385 2.412 ( -1.054 -0.000 -0.000) 1.054 2.762 ( -3.151 -0.000 -0.000) 3.151 2.884 ( -3.514 -0.000 -0.000) 3.514 2.996 ( -1.004 -0.000 -0.000) 1.004 3.024 ( 2.843 0.000 0.000) 2.843 3.446 ( -2.428 -0.000 -0.000) 2.428 3.675 ( -1.718 -0.000 -0.000) 1.718 4.575 ( 0.215 0.000 0.000) 0.215 4.626 ( 0.283 0.000 0.000) 0.283 4.629 ( -0.412 -0.000 -0.000) 0.412 8.257 ( -8.306 -0.000 -0.000) 8.306 9.006 ( 5.873 0.000 0.000) 5.873 9.639 ( 5.367 0.000 0.000) 5.367 10.150 ( 2.759 0.000 0.000) 2.759 10.539 ( -23.086 -0.000 -0.000) 23.086 11.317 ( -0.021 -0.000 -0.000) 0.021 11.448 ( 18.204 0.000 0.000) 18.204 11.599 ( -11.681 -0.000 -0.000) 11.681 11.982 ( 5.976 0.000 0.000) 5.976 12.030 ( -1.337 -0.000 -0.000) 1.337 12.803 ( -9.463 -0.000 -0.000) 9.463 13.023 ( -6.871 -0.000 -0.000) 6.871 13.353 ( 11.516 0.000 0.000) 11.516 13.414 ( -0.387 -0.000 -0.000) 0.387 13.652 ( -1.491 -0.000 -0.000) 1.491 14.339 ( 1.398 0.000 0.000) 1.398 14.354 ( 5.385 0.000 0.000) 5.385 14.660 ( -3.554 -0.000 -0.000) 3.554 ======================= Grid point 46 (47/135) ======================= q-point: ( 0.54 -0.31 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -5.542 8.186 3.937) 10.640 1.618 ( -7.183 7.177 15.155) 18.242 1.648 ( -9.107 -1.481 -1.025) 9.284 1.660 ( -2.840 4.100 1.794) 5.301 1.856 ( -0.117 -1.943 19.933) 20.028 1.977 ( 3.700 -2.861 4.479) 6.476 2.091 ( 2.436 -2.576 2.517) 4.348 2.283 ( -1.410 -1.026 10.109) 10.259 2.357 ( -1.437 1.366 6.637) 6.927 2.469 ( 3.954 -2.298 0.180) 4.577 2.829 ( 1.777 -0.963 6.354) 6.668 3.043 ( 0.183 4.879 -1.209) 5.030 3.152 ( -3.894 -4.662 -3.065) 6.803 3.224 ( 2.661 -4.416 -5.051) 7.217 3.338 ( 2.382 0.005 2.651) 3.564 4.257 ( 1.917 1.822 -13.078) 13.343 4.367 ( 0.202 -0.461 -11.332) 11.343 4.568 ( -4.847 -0.407 -13.076) 13.951 7.859 ( -2.810 -6.335 29.514) 30.316 9.481 ( 10.438 5.228 -2.801) 12.006 9.937 ( 10.098 3.165 -9.964) 14.535 10.122 ( 8.289 -1.611 7.963) 11.607 10.380 ( -6.380 2.184 4.097) 7.891 11.068 ( -5.976 -2.350 3.409) 7.270 11.239 ( 1.938 -12.048 -18.453) 22.123 11.735 ( -2.402 6.768 -0.778) 7.224 12.011 ( -9.887 2.453 -1.643) 10.319 12.318 ( -3.071 0.546 2.787) 4.183 12.690 ( 4.189 8.597 4.573) 10.600 12.760 ( -4.583 -2.996 4.223) 6.915 13.036 ( -5.650 -5.608 -2.663) 8.395 13.377 ( 4.339 -8.129 0.642) 9.237 13.560 ( 5.216 -3.004 2.410) 6.484 13.853 ( 2.761 4.381 0.900) 5.256 14.402 ( 5.915 4.774 -6.710) 10.139 15.085 ( 0.234 -1.018 -13.400) 13.440 ======================= Grid point 47 (48/135) ======================= q-point: ( 0.13 0.31 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 5.220 -0.422 3.489) 6.293 1.554 ( 3.826 1.047 2.792) 4.851 1.850 ( 8.660 1.533 1.751) 8.967 1.989 ( 4.143 -3.224 -0.662) 5.291 2.126 ( 1.211 2.798 0.977) 3.202 2.140 ( -2.968 -1.155 -0.045) 3.185 2.332 ( 0.869 2.241 -1.330) 2.747 2.572 ( 1.859 -5.029 0.553) 5.390 2.749 ( 0.735 1.279 8.777) 8.900 2.790 ( -1.066 3.201 7.424) 8.154 2.892 ( -6.432 2.134 2.130) 7.104 3.010 ( -7.391 -1.223 -1.363) 7.614 3.128 ( -0.518 -3.360 8.412) 9.073 3.282 ( 0.062 2.966 12.671) 13.014 3.399 ( -1.869 3.668 -10.210) 11.009 3.635 ( 0.001 1.701 -18.012) 18.092 3.959 ( 2.366 -6.736 -2.705) 7.635 4.069 ( 2.893 -2.294 -9.319) 10.024 9.011 ( -0.216 3.385 23.145) 23.392 9.330 ( -2.889 0.080 10.903) 11.279 9.388 ( -5.368 -1.453 -3.965) 6.830 9.902 ( -9.000 8.544 -26.269) 29.053 10.717 ( 11.186 -6.286 -8.903) 15.617 10.946 ( -6.756 -11.058 9.631) 16.145 11.265 ( 1.856 -0.671 5.251) 5.609 11.384 ( 5.825 1.287 -10.631) 12.190 12.274 ( 4.585 2.970 -1.024) 5.558 12.385 ( -0.475 2.749 12.144) 12.460 12.545 ( 1.476 3.059 0.068) 3.397 12.854 ( -7.922 0.792 1.889) 8.183 13.058 ( 1.168 2.286 -2.254) 3.416 13.116 ( -1.601 1.473 -1.902) 2.890 13.650 ( -1.796 -0.838 -4.071) 4.528 13.805 ( -6.746 -3.075 -5.058) 8.975 14.364 ( 3.887 -0.567 5.711) 6.932 14.608 ( -2.346 -1.421 -6.411) 6.973 ======================= Grid point 48 (49/135) ======================= q-point: (-0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -0.000 -6.778 -8.443) 10.827 1.116 ( -0.000 -5.274 -13.436) 14.434 1.481 ( -0.000 1.120 -1.130) 1.591 1.527 ( -0.000 -2.290 -3.583) 4.252 2.184 ( -0.000 1.015 -0.396) 1.090 2.309 ( -0.000 1.448 -13.850) 13.926 2.416 ( -0.000 1.857 -15.732) 15.841 2.439 ( -0.000 -3.409 -2.109) 4.009 2.609 ( -0.000 -1.206 -16.218) 16.263 2.700 ( 0.000 5.438 3.660) 6.555 2.710 ( -0.000 -5.029 -7.194) 8.778 2.950 ( -0.000 -0.996 -2.541) 2.729 3.282 ( 0.000 4.110 1.231) 4.290 3.390 ( 0.000 2.380 4.542) 5.128 3.483 ( -0.000 0.048 -9.154) 9.154 4.038 ( 0.000 -1.216 17.484) 17.526 4.051 ( 0.000 0.351 17.290) 17.293 4.134 ( 0.000 0.460 15.497) 15.504 8.671 ( -0.000 8.973 -20.406) 22.292 9.413 ( -0.000 -11.722 -7.625) 13.983 9.902 ( 0.000 -1.681 4.519) 4.821 10.043 ( -0.000 -3.061 -10.271) 10.717 10.839 ( 0.000 -0.169 5.292) 5.295 10.946 ( 0.000 -5.755 7.350) 9.335 11.230 ( 0.000 9.089 30.260) 31.596 11.335 ( -0.000 12.213 -8.041) 14.623 12.129 ( -0.000 3.791 -7.341) 8.262 12.199 ( -0.000 -6.684 1.708) 6.899 12.732 ( -0.000 2.224 -7.141) 7.480 12.811 ( 0.000 4.685 1.145) 4.823 13.034 ( -0.000 -5.048 -4.870) 7.014 13.342 ( -0.000 -10.754 -1.452) 10.851 13.920 ( -0.000 2.255 -1.168) 2.539 14.007 ( 0.000 3.103 4.685) 5.619 14.066 ( 0.000 -6.041 5.673) 8.287 14.953 ( 0.000 6.319 6.994) 9.426 ======================= Grid point 50 (50/135) ======================= q-point: (-0.07 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 12.882 0.000 8.192) 15.266 0.901 ( 7.536 0.000 28.205) 29.195 1.452 ( 9.734 0.000 0.221) 9.737 1.608 ( 17.083 0.000 4.369) 17.633 1.663 ( -1.892 0.000 11.400) 11.556 1.671 ( 10.103 0.000 4.195) 10.939 2.122 ( 2.387 0.000 7.094) 7.485 2.192 ( -1.299 -0.000 -0.278) 1.328 2.382 ( -0.573 -0.000 -0.619) 0.843 2.639 ( -5.700 -0.000 -2.887) 6.389 2.795 ( -6.134 0.000 1.855) 6.408 2.929 ( -0.824 -0.000 -2.868) 2.984 3.183 ( 4.173 0.000 6.585) 7.796 3.347 ( -5.277 -0.000 -1.862) 5.596 3.579 ( -2.975 -0.000 -4.326) 5.251 4.517 ( 0.215 -0.000 -6.586) 6.590 4.568 ( 1.062 -0.000 -6.877) 6.958 4.569 ( -0.081 -0.000 -4.905) 4.906 8.094 ( -13.092 0.000 7.547) 15.111 9.175 ( 8.397 0.000 -0.017) 8.397 9.856 ( 8.995 0.000 6.056) 10.843 9.894 ( -11.013 -0.000 -10.514) 15.226 10.446 ( -5.087 0.000 14.728) 15.581 11.144 ( -4.281 -0.000 -10.036) 10.911 11.487 ( -8.759 0.000 8.219) 12.012 11.688 ( 11.822 -0.000 -6.746) 13.611 12.041 ( -1.153 0.000 3.554) 3.736 12.155 ( 6.286 0.000 3.940) 7.419 12.555 ( -3.521 -0.000 -9.791) 10.405 12.851 ( -7.711 -0.000 -0.225) 7.714 13.308 ( 2.115 -0.000 -7.335) 7.634 13.380 ( 3.764 -0.000 -8.665) 9.447 13.742 ( -1.576 0.000 6.411) 6.602 14.365 ( 3.985 -0.000 -2.614) 4.766 14.369 ( -2.848 -0.000 -3.625) 4.610 14.698 ( -1.968 0.000 5.121) 5.486 ======================= Grid point 51 (51/135) ======================= q-point: ( 0.53 -0.20 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -3.225 8.131 4.981) 10.066 1.372 ( -8.532 0.537 -3.218) 9.135 1.627 ( -2.917 2.575 1.059) 4.032 1.640 ( -4.556 6.537 1.871) 8.185 2.140 ( 0.351 -0.295 7.102) 7.116 2.221 ( 0.858 -5.478 6.006) 8.174 2.277 ( 3.888 -2.489 11.338) 12.241 2.370 ( -0.457 -3.555 5.111) 6.242 2.548 ( 4.865 2.559 7.480) 9.283 2.738 ( 1.298 2.405 15.327) 15.569 2.919 ( -2.451 -2.605 0.886) 3.685 3.010 ( -3.665 2.898 8.549) 9.742 3.089 ( 0.137 -2.138 2.184) 3.060 3.214 ( 2.900 -3.639 -2.638) 5.349 3.425 ( 1.318 -2.356 1.964) 3.338 3.981 ( 1.278 -0.313 -18.090) 18.137 4.088 ( -0.586 -1.493 -16.744) 16.820 4.207 ( -2.531 3.376 -14.592) 15.190 8.494 ( -0.912 0.636 37.530) 37.546 9.656 ( 7.476 2.776 1.688) 8.151 9.916 ( 8.258 3.996 -11.766) 14.920 10.286 ( -7.171 -0.707 -2.122) 7.512 10.493 ( 9.727 -10.069 4.792) 14.798 10.766 ( 3.549 -6.114 -19.040) 20.310 11.096 ( -6.030 0.545 3.333) 6.911 11.371 ( -11.908 4.580 -9.857) 16.123 12.028 ( -0.167 3.988 6.373) 7.520 12.332 ( 0.266 -0.700 -0.317) 0.813 12.668 ( -1.956 -3.983 1.955) 4.849 12.810 ( -4.119 2.553 -0.784) 4.909 13.135 ( 3.787 3.423 12.851) 13.828 13.515 ( 4.696 -10.195 2.487) 11.496 13.709 ( 5.436 -2.493 0.530) 6.004 13.884 ( -0.386 1.787 -0.256) 1.846 14.401 ( 3.800 8.053 -3.123) 9.436 14.746 ( -2.420 -1.638 -17.627) 17.868 ======================= Grid point 52 (52/135) ======================= q-point: ( 0.13 -0.57 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.381 -1.291 -4.804) 4.989 1.620 ( -2.380 1.263 2.367) 3.586 1.975 ( -1.863 0.404 -1.183) 2.244 1.994 ( 2.475 0.463 0.885) 2.669 2.068 ( 0.442 -2.367 -3.822) 4.517 2.158 ( -0.261 1.220 3.556) 3.768 2.484 ( -0.015 -0.174 -1.423) 1.434 2.502 ( -2.008 0.660 0.984) 2.331 2.723 ( 3.021 -2.008 -11.670) 12.221 2.819 ( -4.849 0.486 0.134) 4.875 2.825 ( 2.170 2.545 -8.470) 9.106 2.881 ( 2.497 2.504 -0.079) 3.537 3.114 ( 0.688 -3.724 -10.907) 11.546 3.276 ( 0.488 2.075 -7.833) 8.118 3.378 ( 0.309 5.108 6.398) 8.193 3.644 ( -0.762 1.674 19.041) 19.129 3.972 ( 1.667 -7.171 -0.477) 7.378 4.110 ( -1.225 -2.407 11.257) 11.576 9.075 ( -6.508 2.751 -23.524) 24.562 9.286 ( 1.490 -0.162 -9.361) 9.480 9.316 ( 0.863 -2.488 5.226) 5.852 9.778 ( 2.789 10.165 27.467) 29.420 10.729 ( 11.058 -9.123 -12.799) 19.218 10.921 ( -5.693 -6.766 1.116) 8.913 11.280 ( -0.209 -0.815 -2.349) 2.495 11.497 ( -3.613 0.268 14.638) 15.080 12.301 ( 4.727 3.664 -8.421) 10.329 12.419 ( -8.641 7.320 2.928) 11.698 12.664 ( 1.703 -1.157 -1.456) 2.522 12.695 ( -2.808 -0.871 1.706) 3.399 13.057 ( 2.771 1.288 -1.455) 3.384 13.102 ( -0.672 2.867 2.975) 4.186 13.628 ( 3.552 -3.017 -1.424) 4.873 13.682 ( 0.323 -0.657 4.095) 4.160 14.420 ( -1.328 -3.786 -6.872) 7.958 14.584 ( 0.227 1.867 9.436) 9.622 ======================= Grid point 54 (53/135) ======================= q-point: ( 0.32 -0.32 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -5.792 11.935 0.000) 13.267 0.949 ( -10.452 10.231 0.000) 14.626 1.407 ( 1.801 -6.197 -0.000) 6.453 1.571 ( -1.231 2.981 0.000) 3.226 1.642 ( -8.120 1.100 -0.000) 8.194 1.831 ( -13.414 11.136 0.000) 17.434 2.005 ( -3.732 -2.154 -0.000) 4.309 2.147 ( 6.022 -2.754 -0.000) 6.621 2.254 ( 1.798 -2.498 -0.000) 3.077 2.682 ( 0.618 -7.227 -0.000) 7.254 2.696 ( 7.157 -2.480 -0.000) 7.574 3.065 ( 0.532 3.576 0.000) 3.615 3.066 ( -4.900 5.611 0.000) 7.450 3.318 ( 1.744 -3.311 -0.000) 3.742 3.482 ( 2.330 -5.802 -0.000) 6.253 4.503 ( 1.988 -0.319 0.000) 2.013 4.604 ( 0.396 -0.511 -0.000) 0.646 4.807 ( -5.278 3.866 0.000) 6.542 7.582 ( 0.649 -17.267 -0.000) 17.279 9.433 ( 0.842 9.880 0.000) 9.916 9.804 ( 14.101 -0.905 0.000) 14.130 10.154 ( 1.804 3.771 0.000) 4.181 10.371 ( -1.458 5.411 0.000) 5.604 10.920 ( 4.859 -11.341 -0.000) 12.339 11.439 ( -1.129 5.314 0.000) 5.433 11.941 ( 2.044 -2.114 -0.000) 2.941 11.986 ( -4.129 -3.237 -0.000) 5.246 12.041 ( -13.157 9.858 0.000) 16.441 12.531 ( 2.094 -2.946 -0.000) 3.615 13.251 ( -10.376 -16.581 -0.000) 19.560 13.296 ( -2.786 -6.962 -0.000) 7.499 13.338 ( -0.148 -2.715 -0.000) 2.719 13.513 ( 1.696 -4.234 -0.000) 4.561 13.516 ( 6.373 14.949 0.000) 16.251 14.547 ( 1.245 2.164 0.000) 2.497 15.361 ( 8.251 6.110 0.000) 10.267 ======================= Grid point 55 (54/135) ======================= q-point: (-0.08 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 8.744 0.000 9.022) 12.564 1.515 ( 5.665 0.000 0.842) 5.727 1.593 ( 7.219 0.000 19.583) 20.871 1.900 ( 6.712 0.000 4.253) 7.946 1.908 ( -2.380 0.000 15.867) 16.045 2.068 ( 4.121 0.000 8.694) 9.622 2.150 ( -2.353 0.000 0.913) 2.524 2.335 ( 4.675 0.000 5.510) 7.226 2.438 ( -5.844 -0.000 -3.670) 6.901 2.454 ( 5.824 0.000 5.874) 8.272 2.696 ( -8.387 0.000 2.996) 8.906 2.849 ( -1.328 -0.000 -2.381) 2.727 3.158 ( -7.393 -0.000 -3.288) 8.091 3.400 ( 2.327 0.000 5.726) 6.181 3.404 ( -3.122 -0.000 -5.937) 6.707 4.325 ( 0.028 -0.000 -12.891) 12.891 4.413 ( 1.440 -0.000 -11.364) 11.455 4.448 ( 1.238 -0.000 -8.387) 8.478 8.080 ( -9.903 0.000 18.156) 20.681 9.306 ( 5.882 -0.000 -2.499) 6.391 9.546 ( -5.616 -0.000 -5.692) 7.996 10.182 ( 6.637 0.000 6.230) 9.103 10.610 ( -6.365 0.000 11.748) 13.361 10.858 ( -2.947 -0.000 -9.419) 9.869 11.437 ( -8.026 0.000 3.530) 8.768 11.744 ( 7.354 -0.000 -5.964) 9.469 12.099 ( -0.106 0.000 3.133) 3.135 12.298 ( 7.922 -0.000 -7.796) 11.115 12.463 ( 7.400 0.000 1.963) 7.656 12.716 ( -5.589 -0.000 0.694) 5.632 13.213 ( 0.926 -0.000 -5.743) 5.818 13.248 ( -2.738 -0.000 -5.764) 6.381 13.748 ( -3.578 0.000 0.700) 3.646 14.100 ( -13.252 -0.000 -4.678) 14.054 14.411 ( 5.516 -0.000 -3.167) 6.361 14.741 ( 2.384 -0.000 -2.387) 3.374 ======================= Grid point 56 (55/135) ======================= q-point: ( 0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -0.000 -6.587 -5.152) 8.363 1.265 ( 0.000 9.978 3.949) 10.731 1.580 ( -0.000 -1.660 -2.352) 2.879 1.614 ( 0.000 5.192 0.441) 5.211 2.245 ( -0.000 -5.716 -1.955) 6.041 2.253 ( 0.000 3.215 5.169) 6.088 2.469 ( 0.000 -1.108 4.853) 4.978 2.505 ( 0.000 -1.189 2.491) 2.761 2.714 ( 0.000 2.032 4.338) 4.791 2.768 ( -0.000 -2.837 -3.266) 4.326 3.168 ( 0.000 1.391 11.559) 11.642 3.194 ( 0.000 -0.787 10.119) 10.150 3.229 ( 0.000 1.217 5.421) 5.556 3.233 ( 0.000 -0.183 10.338) 10.339 3.500 ( 0.000 -4.889 4.784) 6.840 3.656 ( -0.000 -0.675 -10.766) 10.788 3.708 ( -0.000 -1.207 -19.711) 19.748 3.889 ( -0.000 5.309 -14.999) 15.911 9.235 ( 0.000 6.647 36.498) 37.099 9.702 ( -0.000 -2.938 -22.351) 22.543 9.838 ( 0.000 1.271 6.853) 6.970 9.969 ( -0.000 -7.895 -15.245) 17.168 10.590 ( 0.000 -0.334 5.164) 5.174 10.762 ( -0.000 1.900 -10.182) 10.357 10.896 ( -0.000 -10.246 3.488) 10.823 11.218 ( 0.000 10.914 -0.631) 10.933 12.131 ( 0.000 0.091 4.811) 4.812 12.293 ( -0.000 2.007 -3.915) 4.399 12.699 ( 0.000 -0.951 2.519) 2.693 12.744 ( -0.000 1.196 -0.805) 1.442 13.417 ( 0.000 0.191 8.945) 8.947 13.566 ( -0.000 -4.516 -4.614) 6.456 13.820 ( 0.000 -4.560 3.129) 5.530 13.868 ( 0.000 -2.206 2.419) 3.273 14.349 ( -0.000 -6.222 -15.512) 16.714 14.460 ( 0.000 14.017 2.955) 14.325 ======================= Grid point 57 (56/135) ======================= q-point: ( 0.12 -0.45 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -5.995 -0.696 -8.657) 10.553 1.535 ( -4.972 3.356 -0.346) 6.009 1.811 ( -11.441 1.798 -2.743) 11.902 1.980 ( -7.174 -2.888 -2.362) 8.087 2.084 ( 2.679 0.406 -2.758) 3.866 2.135 ( 3.551 -5.104 -1.811) 6.476 2.288 ( 0.523 0.513 -9.861) 9.888 2.469 ( -3.081 0.291 -10.936) 11.365 2.519 ( 1.962 4.398 -13.401) 14.240 2.627 ( -0.149 -4.235 -1.710) 4.569 2.780 ( 3.842 3.668 -6.591) 8.465 2.891 ( 3.901 1.662 -7.427) 8.552 3.096 ( 5.639 1.168 4.305) 7.190 3.266 ( 1.190 -2.304 4.776) 5.435 3.467 ( 0.260 0.258 -2.226) 2.256 3.980 ( -0.300 -3.631 16.408) 16.807 4.128 ( -0.087 -2.468 13.040) 13.271 4.315 ( -3.337 2.955 13.216) 13.947 8.508 ( 2.611 1.298 -25.264) 25.432 9.217 ( 2.427 -4.035 -1.891) 5.075 9.506 ( 2.848 3.416 7.240) 8.496 10.225 ( 3.105 4.796 3.672) 6.792 10.712 ( 1.910 -6.707 -11.245) 13.232 10.807 ( 3.336 -2.432 4.913) 6.417 11.374 ( -0.472 -2.305 10.931) 11.182 11.595 ( -8.558 1.306 8.764) 12.319 12.156 ( -0.123 0.135 -8.865) 8.867 12.287 ( -4.989 6.183 1.110) 8.021 12.508 ( -4.070 -0.385 -3.780) 5.568 12.815 ( 6.926 4.539 -1.591) 8.432 13.105 ( 0.090 -0.769 2.594) 2.707 13.174 ( 0.206 1.419 4.043) 4.290 13.705 ( 3.806 -2.426 1.483) 4.751 13.957 ( 8.053 -1.549 9.432) 12.499 14.260 ( -2.533 -7.404 -4.705) 9.131 14.757 ( -0.222 4.756 7.923) 9.243 ======================= Grid point 59 (57/135) ======================= q-point: ( 0.32 -0.21 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -7.308 11.674 4.578) 14.514 0.968 ( -6.918 11.285 15.286) 20.221 1.468 ( -6.020 2.698 0.384) 6.608 1.526 ( -0.821 0.183 3.647) 3.743 1.598 ( -0.361 -1.361 10.233) 10.329 1.664 ( -7.535 14.544 10.525) 19.470 2.031 ( -1.097 -2.484 7.927) 8.379 2.226 ( 1.215 1.146 0.321) 1.700 2.373 ( 7.970 -1.701 0.151) 8.151 2.651 ( -0.662 -8.860 -1.927) 9.092 2.841 ( 2.719 -1.916 1.769) 3.767 2.891 ( -5.307 3.405 -1.492) 6.480 3.114 ( -1.603 1.162 3.608) 4.115 3.382 ( 3.023 -1.361 -0.083) 3.317 3.487 ( 1.629 -5.921 -3.668) 7.153 4.486 ( 2.730 0.318 -6.804) 7.338 4.554 ( 0.280 -0.668 -5.787) 5.832 4.636 ( -4.430 2.209 -6.805) 8.415 7.694 ( -0.243 -19.646 11.214) 22.623 9.467 ( 2.302 11.533 0.802) 11.787 9.907 ( -4.340 8.722 4.825) 10.872 10.224 ( 5.013 7.266 -9.223) 12.767 10.528 ( 16.199 -7.409 4.982) 18.496 11.003 ( -1.315 -8.485 -0.365) 8.594 11.467 ( -3.992 5.271 1.421) 6.763 11.689 ( -8.357 -0.193 1.209) 8.446 11.822 ( -2.118 -5.235 -6.584) 8.674 12.185 ( 1.021 2.757 13.222) 13.545 12.568 ( 5.367 -1.981 -5.501) 7.936 12.869 ( -8.026 -8.370 -7.547) 13.836 13.109 ( -6.659 -6.052 -4.444) 10.036 13.483 ( -1.323 -10.508 10.600) 14.984 13.627 ( 4.650 2.041 3.313) 6.063 13.695 ( 3.736 11.132 2.975) 12.114 14.471 ( -2.587 5.511 -4.235) 7.416 15.433 ( 7.982 1.666 -13.726) 15.966 ======================= Grid point 60 (58/135) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 2.737 0.000 6.309) 6.877 1.592 ( 3.980 0.000 0.295) 3.991 1.946 ( 0.530 0.000 1.637) 1.720 1.996 ( -3.932 0.000 0.761) 4.005 2.127 ( 3.024 0.000 1.868) 3.554 2.163 ( -2.738 -0.000 0.392) 2.766 2.299 ( 5.099 0.000 17.416) 18.147 2.425 ( -0.358 0.000 13.709) 13.714 2.520 ( -12.511 -0.000 1.691) 12.625 2.587 ( 7.392 0.000 5.519) 9.225 2.779 ( 2.329 0.000 15.956) 16.125 2.826 ( 3.040 0.000 -0.379) 3.063 2.921 ( -7.768 -0.000 -4.216) 8.838 3.262 ( -1.198 -0.000 -3.063) 3.289 3.440 ( -1.947 -0.000 -1.627) 2.537 4.024 ( 0.542 -0.000 -18.002) 18.010 4.184 ( -2.027 -0.000 -11.003) 11.189 4.304 ( 2.077 -0.000 -9.437) 9.663 8.454 ( 0.515 0.000 29.801) 29.806 9.330 ( 2.571 -0.000 -3.605) 4.428 9.429 ( 2.858 -0.000 -4.210) 5.088 10.122 ( -0.975 -0.000 -19.242) 19.266 10.609 ( -12.497 0.000 9.352) 15.609 10.816 ( 0.207 0.000 8.195) 8.197 11.331 ( -3.637 -0.000 0.540) 3.677 11.765 ( 6.882 -0.000 -10.309) 12.395 12.175 ( 0.709 0.000 5.506) 5.552 12.388 ( 12.582 -0.000 -6.922) 14.361 12.630 ( -4.917 0.000 1.256) 5.075 12.712 ( 10.236 0.000 1.643) 10.367 13.061 ( -6.129 -0.000 -2.110) 6.482 13.119 ( -1.335 -0.000 -3.495) 3.741 13.686 ( -0.471 -0.000 -0.825) 0.950 13.723 ( -12.777 -0.000 -2.273) 12.978 14.471 ( 4.599 -0.000 -1.324) 4.786 14.678 ( 0.565 -0.000 -7.346) 7.368 ======================= Grid point 62 (59/135) ======================= q-point: ( 0.11 -0.34 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -9.605 1.330 -10.927) 14.609 1.313 ( -15.891 4.646 -7.118) 18.022 1.510 ( -3.093 2.578 -3.218) 5.155 1.719 ( -8.683 -1.061 -3.966) 9.605 1.924 ( -1.132 -0.396 -17.449) 17.491 1.970 ( -3.590 2.702 -19.987) 20.486 2.183 ( 1.834 -0.766 -0.898) 2.181 2.300 ( 2.986 -2.102 -1.308) 3.879 2.313 ( -0.641 -2.347 -10.271) 10.555 2.643 ( 3.029 2.563 2.544) 4.713 2.806 ( 2.664 0.271 -0.155) 2.682 2.888 ( 1.646 0.001 -0.686) 1.783 3.279 ( 0.930 -1.766 2.588) 3.268 3.325 ( 0.205 -0.056 -7.038) 7.041 3.432 ( 2.637 -3.288 6.408) 7.669 4.276 ( 0.854 -2.765 12.574) 12.902 4.385 ( 0.368 -0.154 11.381) 11.388 4.479 ( -3.755 3.837 11.118) 12.347 8.207 ( 6.080 -8.240 -15.702) 18.746 9.243 ( 0.843 4.675 -0.846) 4.825 9.762 ( 7.957 4.377 8.265) 12.280 10.052 ( -6.598 3.474 -9.826) 12.335 10.617 ( 8.253 -9.973 -10.357) 16.578 11.001 ( 0.732 4.308 6.713) 8.010 11.512 ( -3.244 -1.422 0.897) 3.654 11.641 ( -0.839 -0.205 9.549) 9.588 12.013 ( -3.178 -4.738 -2.166) 6.102 12.275 ( -1.331 7.545 -0.994) 7.726 12.377 ( 1.330 -1.074 0.179) 1.719 12.932 ( 4.382 2.749 1.423) 5.365 13.181 ( 0.976 2.541 4.205) 5.009 13.224 ( -4.064 -0.916 4.853) 6.396 13.786 ( 3.267 -3.714 -2.320) 5.464 14.097 ( -3.885 -13.740 -4.229) 14.892 14.275 ( 2.349 2.119 7.667) 8.294 14.922 ( 4.121 8.830 6.506) 11.716 ======================= Grid point 63 (60/135) ======================= q-point: (-0.29 0.29 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 8.086 -7.519 -0.000) 11.041 1.021 ( 11.301 -4.864 -0.000) 12.303 1.456 ( -2.861 3.339 0.000) 4.397 1.583 ( 2.648 0.161 0.000) 2.653 1.778 ( 5.520 -0.307 0.000) 5.528 1.953 ( 4.704 -0.909 0.000) 4.792 2.138 ( -1.326 1.495 0.000) 1.999 2.142 ( 6.407 0.897 0.000) 6.470 2.338 ( 4.836 5.673 0.000) 7.454 2.569 ( -9.655 2.020 -0.000) 9.864 2.692 ( 0.212 -5.014 -0.000) 5.018 2.984 ( -0.181 -2.843 -0.000) 2.849 3.050 ( -4.524 5.943 0.000) 7.468 3.331 ( 0.906 -4.048 -0.000) 4.148 3.515 ( -3.516 3.235 0.000) 4.778 4.520 ( -0.117 3.767 0.000) 3.769 4.601 ( -0.541 0.213 0.000) 0.582 4.788 ( 3.551 -7.304 -0.000) 8.121 7.664 ( -12.204 3.298 -0.000) 12.642 9.396 ( 7.834 -0.007 0.000) 7.834 9.594 ( -12.658 7.919 0.000) 14.931 10.084 ( 5.290 -7.589 -0.000) 9.250 10.349 ( 3.758 -2.339 -0.000) 4.426 10.980 ( -7.751 7.405 0.000) 10.720 11.391 ( 2.852 -3.018 -0.000) 4.153 11.924 ( -2.706 0.923 -0.000) 2.859 12.002 ( 2.617 -3.667 -0.000) 4.505 12.222 ( 8.023 0.898 0.000) 8.074 12.593 ( 2.622 2.276 0.000) 3.472 12.893 ( -6.256 -13.667 -0.000) 15.031 13.366 ( -1.057 1.079 0.000) 1.510 13.514 ( -3.605 1.359 0.000) 3.852 13.552 ( 0.642 4.015 0.000) 4.066 13.904 ( -0.195 20.697 0.000) 20.698 14.438 ( -3.002 -0.489 -0.000) 3.041 15.047 ( 2.414 -14.376 -0.000) 14.577 ======================= Grid point 64 (61/135) ======================= q-point: ( 0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 11.859 7.060) 13.802 1.099 ( 0.000 13.916 8.429) 16.270 1.437 ( 0.000 -0.821 1.867) 2.039 1.544 ( 0.000 3.326 1.458) 3.631 1.924 ( 0.000 -2.955 19.032) 19.260 1.937 ( 0.000 3.951 20.159) 20.542 2.200 ( 0.000 -1.169 5.615) 5.735 2.312 ( 0.000 3.023 12.262) 12.629 2.492 ( 0.000 2.738 0.794) 2.851 2.602 ( -0.000 -8.690 -2.109) 8.942 2.785 ( 0.000 2.623 -0.564) 2.683 2.910 ( 0.000 -1.485 1.814) 2.344 3.154 ( 0.000 -3.177 2.089) 3.803 3.414 ( -0.000 -4.964 -5.113) 7.126 3.423 ( 0.000 0.428 1.152) 1.229 4.348 ( -0.000 0.039 -13.433) 13.433 4.361 ( -0.000 0.851 -12.257) 12.287 4.393 ( -0.000 0.077 -11.128) 11.128 8.017 ( 0.000 -13.759 21.620) 25.627 9.547 ( 0.000 10.627 3.445) 11.172 9.960 ( 0.000 7.666 6.820) 10.261 10.122 ( -0.000 6.154 -7.761) 9.905 10.893 ( 0.000 -13.218 5.543) 14.333 10.921 ( -0.000 -1.080 -1.852) 2.144 11.218 ( -0.000 5.929 -6.251) 8.615 11.516 ( -0.000 -10.514 -19.815) 22.432 11.863 ( 0.000 -3.931 9.674) 10.442 12.468 ( -0.000 -2.416 -8.921) 9.242 12.494 ( 0.000 8.731 14.821) 17.202 12.718 ( -0.000 -5.320 -0.060) 5.320 12.993 ( -0.000 -2.429 0.911) 2.595 13.633 ( 0.000 4.101 -0.387) 4.119 13.762 ( 0.000 -1.909 6.908) 7.167 13.795 ( 0.000 -4.446 5.369) 6.971 14.340 ( -0.000 7.875 -5.480) 9.594 15.160 ( -0.000 -0.424 -19.145) 19.150 ======================= Grid point 65 (62/135) ======================= q-point: (-0.09 -0.47 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -5.268 -0.000 0.476) 5.290 1.653 ( 0.801 -0.000 -3.250) 3.347 1.875 ( -6.678 -0.000 -2.126) 7.008 1.950 ( -1.678 0.000 5.459) 5.711 2.093 ( -7.149 -0.000 -0.693) 7.183 2.157 ( 3.555 -0.000 -2.184) 4.172 2.315 ( -1.840 -0.000 -0.071) 1.841 2.686 ( -6.214 -0.000 -1.584) 6.413 2.739 ( -0.927 0.000 11.223) 11.261 2.743 ( 8.637 0.000 -0.199) 8.639 2.782 ( 1.169 0.000 11.959) 12.016 2.975 ( 7.684 0.000 3.576) 8.476 3.172 ( 0.740 0.000 19.579) 19.593 3.239 ( 0.868 0.000 2.332) 2.489 3.314 ( -0.368 -0.000 -6.567) 6.578 3.647 ( 0.964 -0.000 -21.666) 21.687 3.947 ( -6.313 -0.000 -1.493) 6.488 4.168 ( 0.245 -0.000 -7.294) 7.298 9.192 ( 5.727 0.000 32.411) 32.913 9.294 ( 2.801 -0.000 -6.832) 7.384 9.462 ( 10.857 -0.000 -5.397) 12.124 9.642 ( 1.387 -0.000 -23.189) 23.231 10.522 ( -15.096 0.000 13.006) 19.926 10.987 ( -4.534 0.000 10.957) 11.858 11.337 ( 2.515 0.000 0.713) 2.614 11.539 ( -1.234 -0.000 -17.554) 17.597 12.344 ( 4.266 0.000 3.922) 5.795 12.409 ( 4.898 -0.000 -10.615) 11.690 12.522 ( -6.248 -0.000 -0.756) 6.293 12.888 ( 3.355 0.000 0.683) 3.424 13.005 ( 4.093 -0.000 -0.838) 4.178 13.048 ( -2.168 0.000 2.053) 2.986 13.583 ( -1.801 0.000 3.816) 4.219 13.749 ( 4.597 0.000 2.833) 5.400 14.486 ( -3.277 -0.000 -8.634) 9.235 14.570 ( 4.434 0.000 2.158) 4.932 ======================= Grid point 66 (63/135) ======================= q-point: (-0.49 0.16 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 7.637 -2.232 -8.038) 11.310 1.493 ( 9.062 -6.243 0.496) 11.016 1.661 ( 7.149 -3.869 -3.521) 8.858 1.742 ( 8.967 1.662 -1.893) 9.314 2.132 ( -1.198 0.094 -4.483) 4.641 2.174 ( -7.817 3.051 -3.375) 9.045 2.286 ( 0.315 0.865 -12.010) 12.045 2.434 ( 0.851 0.611 -8.675) 8.738 2.521 ( -0.129 3.933 -4.222) 5.772 2.646 ( -2.709 -1.956 -14.281) 14.667 2.928 ( -0.176 -5.384 -3.405) 6.373 2.984 ( -1.114 -1.345 -8.713) 8.886 3.151 ( -0.786 3.051 4.736) 5.688 3.232 ( -3.110 4.481 3.991) 6.758 3.454 ( 0.073 1.574 -7.190) 7.361 3.936 ( -1.842 0.791 17.735) 17.848 4.113 ( -0.500 0.630 15.335) 15.356 4.254 ( 5.205 -1.105 16.647) 17.476 8.530 ( 0.356 1.540 -29.356) 29.399 9.368 ( -10.001 -4.359 -2.457) 11.183 9.666 ( -7.628 -1.893 9.074) 12.004 10.367 ( 2.061 -5.288 -11.696) 13.000 10.564 ( -3.453 10.921 -6.043) 12.951 10.808 ( -3.006 3.845 22.798) 23.315 11.239 ( 4.671 3.284 8.230) 10.017 11.470 ( 8.968 -4.733 9.325) 13.776 12.077 ( 2.802 3.122 -8.436) 9.421 12.313 ( 1.545 -2.796 2.047) 3.794 12.645 ( -3.786 -7.906 -7.628) 11.620 12.876 ( 4.081 2.723 -0.766) 4.966 13.112 ( -0.322 3.190 -1.429) 3.510 13.299 ( -8.530 -7.931 2.566) 11.927 13.718 ( -4.238 5.439 -1.533) 7.064 13.956 ( 0.300 4.255 2.046) 4.731 14.212 ( -3.688 -1.134 0.159) 3.862 14.802 ( 1.068 -0.560 13.048) 13.104 ======================= Grid point 68 (64/135) ======================= q-point: (-0.29 0.41 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 5.967 -1.773 16.394) 17.536 1.291 ( 5.962 -4.357 9.526) 12.053 1.518 ( -2.175 2.818 11.035) 11.595 1.624 ( 0.969 0.614 1.647) 2.007 1.910 ( -4.136 2.177 0.569) 4.708 1.954 ( 1.960 0.311 8.877) 9.096 2.097 ( -2.176 -0.408 -0.470) 2.264 2.246 ( -1.406 4.580 -3.077) 5.694 2.370 ( -0.625 -0.892 1.801) 2.105 2.469 ( -1.727 0.106 2.084) 2.709 2.778 ( 6.874 -0.741 0.032) 6.914 2.843 ( -2.072 2.780 -4.594) 5.755 3.058 ( -1.713 -2.067 2.237) 3.495 3.354 ( -0.636 -2.314 0.370) 2.428 3.405 ( -3.348 1.268 -2.558) 4.400 4.463 ( 0.765 4.567 -6.568) 8.036 4.536 ( -0.272 0.422 -5.622) 5.644 4.782 ( 1.583 -7.986 -6.841) 10.634 7.539 ( -10.540 -2.746 14.213) 17.907 9.344 ( 1.851 9.380 -5.514) 11.037 9.645 ( 3.166 -1.328 4.638) 5.771 10.116 ( 1.933 2.132 -3.462) 4.502 10.444 ( 2.103 -0.206 2.219) 3.064 10.957 ( -3.031 -2.679 7.610) 8.618 11.372 ( 1.482 -2.390 -8.995) 9.425 11.838 ( -2.063 -0.208 -1.568) 2.600 12.070 ( -1.157 -2.883 4.724) 5.654 12.402 ( 6.429 2.919 4.218) 8.225 12.653 ( 4.673 2.563 -2.948) 6.091 12.789 ( -0.149 -8.502 -2.382) 8.831 13.275 ( -1.192 1.701 -6.726) 7.039 13.350 ( -2.773 -2.093 -4.994) 6.083 13.559 ( -7.191 6.021 2.652) 9.747 13.814 ( -8.356 -0.253 2.252) 8.658 14.410 ( 4.544 9.285 -3.703) 10.980 15.086 ( 4.117 -9.070 -4.622) 10.981 ======================= Grid point 70 (65/135) ======================= q-point: (-0.10 -0.35 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -12.761 -0.000 -0.885) 12.791 1.455 ( -4.617 -0.000 -10.329) 11.313 1.636 ( -7.374 -0.000 -4.603) 8.692 1.851 ( -9.548 -0.000 -2.829) 9.958 2.103 ( 2.401 0.000 4.319) 4.941 2.257 ( 5.600 0.000 3.678) 6.699 2.372 ( 3.612 -0.000 -1.441) 3.889 2.587 ( -1.797 0.000 1.286) 2.210 2.676 ( -1.451 -0.000 -7.344) 7.486 2.760 ( -1.427 -0.000 -5.619) 5.798 3.039 ( 6.133 -0.000 -5.954) 8.548 3.138 ( 2.655 0.000 1.128) 2.884 3.204 ( -0.489 -0.000 -22.733) 22.739 3.224 ( 3.812 0.000 4.015) 5.537 3.442 ( 4.461 0.000 7.349) 8.597 3.630 ( 1.111 0.000 21.490) 21.519 3.942 ( -4.656 0.000 12.365) 13.213 4.013 ( -5.377 -0.000 -1.646) 5.624 9.037 ( 4.497 -0.000 -22.435) 22.882 9.376 ( 2.546 -0.000 -6.558) 7.035 9.544 ( 8.120 0.000 -0.285) 8.125 10.078 ( 14.684 0.000 15.680) 21.482 10.503 ( -13.132 0.000 17.253) 21.682 11.012 ( -8.739 0.000 6.048) 10.628 11.177 ( -6.221 -0.000 -4.387) 7.612 11.426 ( 5.251 -0.000 -1.352) 5.423 12.263 ( 0.063 -0.000 -7.506) 7.507 12.339 ( -1.476 -0.000 -6.687) 6.848 12.483 ( 4.447 0.000 -0.615) 4.490 12.946 ( -0.704 0.000 3.015) 3.096 13.081 ( 8.546 -0.000 -6.031) 10.460 13.099 ( -1.586 0.000 4.234) 4.522 13.720 ( 3.580 0.000 6.033) 7.015 13.921 ( 1.350 0.000 6.239) 6.384 14.241 ( -6.311 -0.000 -4.478) 7.739 14.749 ( 6.551 0.000 3.825) 7.586 ======================= Grid point 71 (66/135) ======================= q-point: (-0.50 0.28 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 7.277 -3.292 -6.103) 10.052 1.581 ( 1.244 -3.422 -5.269) 6.404 1.690 ( 6.586 -3.549 -17.119) 18.682 1.855 ( 4.838 0.599 -7.987) 9.357 1.903 ( 3.535 1.680 -9.130) 9.934 1.953 ( -5.381 5.085 -2.359) 7.770 2.112 ( 0.354 0.946 -1.691) 1.970 2.296 ( -2.784 -0.382 -11.756) 12.088 2.348 ( 6.171 -1.970 -4.821) 8.075 2.532 ( -1.126 4.004 0.273) 4.168 2.790 ( -3.274 1.138 -5.057) 6.131 2.888 ( -3.041 -5.834 1.864) 6.838 3.199 ( -3.618 -1.002 1.348) 3.989 3.272 ( -2.301 5.021 4.286) 6.991 3.372 ( 3.227 1.371 -1.423) 3.784 4.212 ( -0.891 1.189 12.846) 12.932 4.368 ( -0.366 0.322 11.237) 11.247 4.650 ( 4.090 -2.846 12.905) 13.833 8.008 ( -0.960 3.576 -22.832) 23.130 9.181 ( -7.416 -0.198 3.120) 8.048 9.760 ( -2.195 -3.821 7.867) 9.018 10.017 ( -5.728 4.771 -9.730) 12.258 10.471 ( 4.178 -0.105 -6.371) 7.619 11.119 ( 1.354 -5.206 8.924) 10.420 11.388 ( -3.156 5.190 -2.392) 6.529 11.722 ( 3.168 0.677 6.000) 6.819 12.125 ( 5.419 -3.147 4.007) 7.438 12.365 ( 1.316 0.509 -8.517) 8.634 12.462 ( 3.160 -5.695 2.003) 6.814 12.925 ( -0.228 -1.950 2.738) 3.369 13.122 ( -3.412 1.213 4.737) 5.963 13.299 ( 0.815 -0.986 4.609) 4.783 13.590 ( -3.863 6.828 -2.672) 8.288 13.930 ( 2.476 7.420 -9.571) 12.361 14.179 ( -7.745 -1.602 11.472) 13.934 15.055 ( 0.955 -4.557 9.729) 10.786 ======================= Grid point 72 (67/135) ======================= q-point: ( 0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 15.211 0.000) 15.211 0.368 ( 0.000 17.605 0.000) 17.605 0.762 ( 0.000 35.686 0.000) 35.686 1.405 ( 0.000 0.347 0.000) 0.347 1.457 ( 0.000 2.942 0.000) 2.942 1.553 ( -0.000 -3.596 -0.000) 3.596 1.982 ( -0.000 -1.597 -0.000) 1.597 2.226 ( 0.000 0.562 0.000) 0.562 2.434 ( 0.000 1.773 0.000) 1.773 2.804 ( 0.000 0.496 0.000) 0.496 2.834 ( -0.000 -6.618 -0.000) 6.618 2.907 ( -0.000 -1.310 -0.000) 1.310 3.020 ( 0.000 1.337 0.000) 1.337 3.455 ( -0.000 -1.659 -0.000) 1.659 3.651 ( -0.000 -4.042 -0.000) 4.042 4.599 ( 0.000 0.807 0.000) 0.807 4.612 ( -0.000 -0.075 -0.000) 0.075 4.627 ( -0.000 -0.530 -0.000) 0.530 8.057 ( -0.000 -21.968 -0.000) 21.968 9.171 ( 0.000 15.904 0.000) 15.904 9.643 ( 0.000 5.934 0.000) 5.934 10.180 ( 0.000 5.733 0.000) 5.733 10.887 ( -0.000 -4.291 -0.000) 4.291 11.032 ( 0.000 1.351 0.000) 1.351 11.343 ( 0.000 2.409 0.000) 2.409 11.721 ( -0.000 -13.758 -0.000) 13.758 11.896 ( 0.000 2.061 0.000) 2.061 12.027 ( -0.000 -1.546 -0.000) 1.546 12.856 ( -0.000 -6.656 -0.000) 6.656 12.962 ( -0.000 -7.340 -0.000) 7.340 13.142 ( -0.000 -1.500 -0.000) 1.500 13.394 ( 0.000 18.846 0.000) 18.846 13.395 ( -0.000 -2.208 -0.000) 2.208 13.638 ( -0.000 -2.860 -0.000) 2.860 14.342 ( 0.000 5.042 0.000) 5.042 15.809 ( -0.000 -2.871 -0.000) 2.871 ======================= Grid point 73 (68/135) ======================= q-point: ( 0.70 -0.48 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 0.545 3.489 2.120) 4.119 1.659 ( 2.371 -0.206 5.102) 5.630 1.772 ( 0.569 -1.434 20.099) 20.158 1.799 ( -4.515 0.969 9.893) 10.918 1.827 ( -2.675 -1.151 9.141) 9.593 2.043 ( -6.594 3.499 4.550) 8.742 2.064 ( -4.414 1.200 -0.623) 4.616 2.260 ( 4.700 -0.922 12.513) 13.399 2.375 ( -3.291 -1.492 0.219) 3.620 2.448 ( -1.954 0.465 1.552) 2.539 2.809 ( 1.230 2.570 2.736) 3.951 2.950 ( 8.471 -2.519 -2.169) 9.100 3.024 ( 1.489 -5.396 -4.239) 7.022 3.254 ( -2.663 1.394 -2.803) 4.110 3.356 ( -3.168 0.266 1.821) 3.664 4.291 ( 0.828 4.001 -12.663) 13.306 4.366 ( -0.255 0.746 -11.447) 11.474 4.585 ( -1.793 -5.164 -11.525) 12.756 7.837 ( -3.916 -3.437 31.214) 31.646 9.380 ( 8.736 8.292 -3.780) 12.624 9.734 ( 6.240 -5.264 -4.199) 9.181 10.125 ( 1.609 10.370 0.460) 10.504 10.500 ( -2.569 -1.952 3.552) 4.799 10.955 ( 0.782 -11.371 -13.772) 17.877 11.156 ( -6.578 -1.871 1.466) 6.994 11.844 ( 0.690 3.099 3.829) 4.974 12.120 ( -1.172 -0.601 1.913) 2.323 12.547 ( -4.306 4.769 -5.718) 8.601 12.706 ( 9.137 5.450 5.712) 12.076 12.790 ( -3.230 -1.979 2.832) 4.730 13.126 ( -3.919 -2.223 -5.705) 7.270 13.141 ( -1.177 -5.056 -5.352) 7.456 13.451 ( -3.380 -0.457 2.841) 4.439 13.780 ( 3.454 -3.188 -1.299) 4.876 14.443 ( 4.663 10.511 -3.505) 12.021 15.005 ( 1.654 -5.877 -10.159) 11.852 ======================= Grid point 74 (69/135) ======================= q-point: ( 0.30 0.15 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 8.219 2.061 5.615) 10.165 1.471 ( 5.774 0.157 -1.333) 5.928 1.713 ( 8.188 3.077 1.733) 8.917 1.770 ( 8.053 -2.172 1.146) 8.419 2.185 ( -0.449 3.026 1.726) 3.512 2.237 ( -6.316 -0.724 2.699) 6.907 2.376 ( -0.717 -0.663 -0.323) 1.029 2.433 ( -0.645 -3.882 -3.357) 5.173 2.737 ( 1.027 -0.244 11.703) 11.750 2.874 ( 2.389 4.773 0.744) 5.389 3.065 ( -5.968 0.095 -1.992) 6.293 3.080 ( -1.750 -0.857 14.384) 14.515 3.124 ( -6.025 -2.818 0.709) 6.689 3.299 ( 1.194 0.083 10.964) 11.029 3.540 ( -1.510 5.463 -10.780) 12.179 3.652 ( 0.566 -2.386 2.478) 3.486 3.804 ( 0.306 -3.686 -12.973) 13.490 3.917 ( 5.230 -1.355 -16.177) 17.055 9.122 ( -0.692 4.732 27.746) 28.155 9.486 ( -8.703 3.553 11.597) 14.928 9.506 ( -8.206 -1.423 -7.389) 11.134 10.136 ( -3.360 -6.984 -35.262) 36.104 10.531 ( 3.036 9.996 3.183) 10.921 10.768 ( -2.280 -13.474 5.519) 14.738 11.168 ( 5.393 0.516 1.968) 5.764 11.286 ( 6.073 0.608 -7.741) 9.858 12.238 ( 3.395 -3.653 6.412) 8.123 12.263 ( 3.033 2.801 -2.917) 5.055 12.752 ( -0.796 5.145 3.456) 6.249 12.863 ( 3.394 -2.600 -1.549) 4.548 13.191 ( -6.882 1.614 5.070) 8.699 13.266 ( -8.676 4.221 -1.374) 9.746 13.737 ( -4.902 0.890 -0.081) 4.982 13.845 ( -4.125 -2.801 -5.301) 7.278 14.304 ( 2.699 1.876 6.992) 7.726 14.562 ( 0.773 -4.673 -10.385) 11.414 ======================= Grid point 75 (70/135) ======================= q-point: (-0.10 -0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -18.175 -0.000 -4.993) 18.849 1.106 ( -4.311 -0.000 -14.745) 15.362 1.475 ( -1.000 -0.000 -2.953) 3.118 1.609 ( -7.286 -0.000 -3.048) 7.898 2.180 ( 1.414 0.000 0.386) 1.466 2.321 ( 0.760 -0.000 -12.981) 13.003 2.389 ( 1.135 -0.000 -0.928) 1.466 2.433 ( 0.063 -0.000 -21.727) 21.727 2.586 ( 3.506 0.000 3.241) 4.774 2.589 ( 1.752 -0.000 -16.209) 16.303 2.820 ( -3.847 -0.000 -1.864) 4.274 2.943 ( -0.062 -0.000 -3.117) 3.117 3.299 ( 2.763 0.000 4.378) 5.177 3.390 ( 2.239 0.000 5.450) 5.892 3.473 ( 0.606 -0.000 -10.365) 10.383 4.042 ( 0.924 0.000 17.434) 17.458 4.057 ( -2.774 0.000 15.606) 15.850 4.159 ( -1.622 0.000 14.616) 14.705 8.752 ( 4.626 -0.000 -16.215) 16.862 9.248 ( 0.092 -0.000 -8.538) 8.539 9.787 ( 8.392 0.000 4.266) 9.414 10.070 ( -4.976 -0.000 -11.188) 12.245 10.824 ( 4.185 0.000 10.506) 11.309 10.915 ( -5.562 0.000 2.084) 5.940 11.349 ( -1.662 0.000 28.016) 28.065 11.446 ( 2.469 -0.000 -6.410) 6.869 12.139 ( -1.479 -0.000 -3.518) 3.816 12.182 ( -0.962 -0.000 -6.607) 6.676 12.568 ( 10.251 -0.000 -5.812) 11.784 12.980 ( -1.584 0.000 2.894) 3.299 13.052 ( -8.117 0.000 1.321) 8.224 13.131 ( 6.275 -0.000 -4.903) 7.963 13.897 ( 3.888 0.000 1.563) 4.190 14.032 ( -2.958 0.000 7.465) 8.030 14.106 ( -4.986 0.000 4.350) 6.617 14.956 ( 6.119 0.000 2.514) 6.615 ======================= Grid point 78 (71/135) ======================= q-point: ( 0.69 -0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -4.285 2.687 -0.688) 5.104 1.624 ( -7.213 4.545 -0.394) 8.534 1.714 ( -5.095 0.184 -0.109) 5.099 1.906 ( -5.488 4.427 -1.035) 7.126 1.978 ( 2.411 -8.293 3.675) 9.386 2.148 ( -0.498 1.147 11.403) 11.471 2.223 ( -0.563 -1.840 11.520) 11.680 2.416 ( -0.702 4.408 6.489) 7.876 2.510 ( 1.134 1.385 9.765) 9.928 2.661 ( 6.001 -1.037 16.320) 17.419 2.822 ( -1.813 -8.451 -1.057) 8.707 3.042 ( 6.131 -1.430 0.870) 6.355 3.087 ( 2.684 1.102 1.961) 3.502 3.170 ( -3.372 1.628 1.824) 4.165 3.348 ( -0.333 -2.234 1.681) 2.815 3.997 ( -1.155 2.104 -16.462) 16.636 4.069 ( -0.620 -1.257 -17.050) 17.108 4.315 ( -1.859 1.649 -11.766) 12.026 8.532 ( 0.048 0.264 41.023) 41.024 9.500 ( 8.641 1.391 -2.781) 9.183 9.811 ( 13.494 6.543 -11.469) 18.880 10.173 ( 0.090 -4.462 4.538) 6.364 10.313 ( -1.848 -8.875 -21.504) 23.337 10.705 ( -3.237 0.263 0.929) 3.378 11.187 ( -4.027 -1.527 9.896) 10.793 11.714 ( -9.528 3.564 -13.907) 17.230 12.171 ( 1.177 8.071 6.098) 10.184 12.381 ( -4.147 2.190 0.759) 4.751 12.669 ( -4.984 -1.476 0.403) 5.214 12.909 ( -4.452 -2.942 -0.827) 5.400 13.058 ( 6.317 -5.011 4.759) 9.363 13.202 ( 7.704 -0.975 0.307) 7.771 13.524 ( 3.586 -3.880 2.677) 5.922 13.852 ( 5.383 -0.334 -2.206) 5.827 14.474 ( 3.765 8.974 -2.463) 10.039 14.765 ( -1.796 -3.462 -12.532) 13.125 ======================= Grid point 79 (72/135) ======================= q-point: (-0.71 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 3.814 -0.167 -5.129) 6.394 1.612 ( 3.401 -1.431 5.726) 6.812 1.891 ( 7.004 1.149 -1.473) 7.249 1.941 ( 5.865 -2.243 0.605) 6.308 2.091 ( -4.337 1.491 -6.637) 8.067 2.204 ( -2.161 -0.245 1.306) 2.537 2.368 ( 4.104 3.582 0.395) 5.462 2.475 ( 4.880 -4.829 1.401) 7.007 2.728 ( -1.514 0.608 -14.280) 14.373 2.903 ( -6.107 4.010 -1.538) 7.466 2.942 ( -5.138 0.124 3.520) 6.229 2.980 ( -1.726 2.554 -0.881) 3.206 3.022 ( -0.647 -3.997 -15.755) 16.267 3.292 ( 0.280 1.153 -4.113) 4.281 3.521 ( -0.776 6.518 2.186) 6.918 3.690 ( 0.377 -0.314 1.884) 1.947 3.776 ( 1.928 -4.274 9.886) 10.942 4.026 ( 2.240 -3.680 16.301) 16.861 9.214 ( -2.503 -5.169 -11.603) 12.946 9.323 ( -6.472 2.856 -29.337) 30.178 9.336 ( -5.374 -0.139 8.816) 10.325 9.967 ( 0.330 8.639 33.826) 34.913 10.483 ( 1.984 3.628 -11.918) 12.615 10.803 ( 0.443 -9.356 -0.521) 9.381 11.248 ( 1.153 -1.286 -1.859) 2.537 11.468 ( 4.225 -2.279 14.045) 14.842 12.257 ( 5.745 3.867 -7.543) 10.240 12.455 ( 7.619 -3.455 1.383) 8.480 12.746 ( -4.939 1.597 -1.611) 5.435 12.836 ( -8.306 -0.801 5.280) 9.875 13.074 ( -1.660 2.521 -3.650) 4.736 13.151 ( -0.917 1.473 1.835) 2.525 13.579 ( -2.957 3.050 -3.797) 5.698 13.740 ( -5.442 -1.846 4.772) 7.470 14.348 ( 0.836 -2.014 -10.165) 10.397 14.595 ( 1.510 -0.398 12.743) 12.838 ======================= Grid point 80 (73/135) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -0.000 -0.000 -10.939) 10.939 0.727 ( -0.000 -0.000 -17.693) 17.693 1.443 ( -0.000 -0.000 -1.637) 1.637 1.457 ( -0.000 -0.000 -2.127) 2.127 1.771 ( -0.000 -0.000 -40.082) 40.082 1.992 ( -0.000 -0.000 -17.114) 17.114 2.208 ( 0.000 0.000 0.388) 0.388 2.297 ( -0.000 -0.000 -13.217) 13.217 2.399 ( 0.000 0.000 0.425) 0.425 2.716 ( 0.000 0.000 3.873) 3.873 2.841 ( 0.000 0.000 3.184) 3.184 2.924 ( -0.000 -0.000 -0.042) 0.042 3.260 ( -0.000 -0.000 -9.352) 9.352 3.403 ( 0.000 0.000 3.259) 3.259 3.533 ( 0.000 0.000 6.566) 6.566 4.337 ( 0.000 0.000 13.397) 13.397 4.339 ( 0.000 0.000 11.760) 11.760 4.405 ( 0.000 0.000 11.228) 11.228 8.557 ( -0.000 -0.000 -9.786) 9.786 9.082 ( -0.000 -0.000 -7.018) 7.018 9.788 ( -0.000 -0.000 -9.954) 9.954 9.970 ( 0.000 0.000 4.861) 4.861 10.937 ( 0.000 0.000 3.762) 3.762 11.043 ( 0.000 0.000 9.161) 9.161 11.257 ( -0.000 -0.000 -12.441) 12.441 11.822 ( 0.000 0.000 14.151) 14.151 12.024 ( -0.000 -0.000 -8.141) 8.141 12.071 ( -0.000 -0.000 -1.445) 1.445 12.691 ( 0.000 0.000 4.512) 4.512 12.935 ( 0.000 0.000 2.572) 2.572 13.007 ( 0.000 0.000 2.347) 2.347 13.130 ( -0.000 -0.000 -2.376) 2.376 13.895 ( -0.000 -0.000 -4.346) 4.346 14.132 ( 0.000 0.000 6.850) 6.850 14.190 ( 0.000 0.000 6.599) 6.599 15.070 ( 0.000 0.000 1.153) 1.153 ======================= Grid point 81 (74/135) ======================= q-point: ( 0.49 -0.49 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -0.691 1.427 0.000) 1.585 1.264 ( -0.619 -1.260 -0.000) 1.404 1.316 ( -5.570 6.081 0.000) 8.246 1.587 ( 3.349 0.567 0.000) 3.396 1.815 ( -4.101 1.654 0.000) 4.422 1.863 ( 2.925 -3.263 -0.000) 4.382 2.093 ( -8.570 -0.941 -0.000) 8.622 2.096 ( -0.870 -1.189 -0.000) 1.474 2.434 ( -9.386 5.459 0.000) 10.858 2.491 ( 7.997 -1.303 0.000) 8.103 2.537 ( 1.516 -0.900 -0.000) 1.763 3.069 ( 8.547 0.229 0.000) 8.550 3.098 ( 2.474 0.783 0.000) 2.595 3.354 ( -6.500 -2.148 -0.000) 6.846 3.363 ( -0.707 -1.759 -0.000) 1.896 4.482 ( 1.411 1.991 0.000) 2.441 4.590 ( 0.091 -0.223 -0.000) 0.241 4.954 ( -3.357 -1.249 -0.000) 3.582 7.340 ( -5.750 -10.872 -0.000) 12.298 9.420 ( 12.778 1.495 0.000) 12.865 9.558 ( 3.682 7.170 0.000) 8.060 10.267 ( -1.258 -0.827 -0.000) 1.506 10.455 ( 1.109 2.425 0.000) 2.666 10.756 ( -1.338 -0.912 -0.000) 1.619 11.556 ( 1.142 3.593 0.000) 3.771 11.853 ( 0.886 -2.196 -0.000) 2.368 11.994 ( -3.343 -3.173 -0.000) 4.609 12.407 ( 0.506 3.513 0.000) 3.549 12.562 ( -6.553 5.419 0.000) 8.504 13.052 ( -4.077 -16.100 -0.000) 16.609 13.260 ( -6.817 -2.605 -0.000) 7.298 13.311 ( -1.265 -1.075 -0.000) 1.660 13.417 ( -0.491 -3.005 -0.000) 3.045 13.688 ( 6.728 12.830 0.000) 14.487 14.463 ( 5.646 0.569 0.000) 5.675 15.313 ( 2.645 -1.422 -0.000) 3.003 ======================= Grid point 83 (75/135) ======================= q-point: (-0.32 -0.24 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -8.292 -3.445 -5.756) 10.665 1.494 ( -3.587 6.796 -1.242) 7.784 1.584 ( -3.618 -1.095 -3.274) 5.000 1.749 ( -3.811 3.507 -3.991) 6.538 2.104 ( 1.933 -6.026 3.428) 7.197 2.310 ( 2.724 2.442 4.442) 5.755 2.421 ( 2.802 -0.263 6.963) 7.510 2.463 ( -0.007 1.969 0.373) 2.004 2.697 ( -2.166 -3.781 2.606) 5.077 2.762 ( -1.749 -2.304 0.082) 2.894 3.109 ( 4.294 -1.384 9.753) 10.746 3.188 ( 2.154 1.975 11.248) 11.621 3.225 ( 2.491 2.075 5.578) 6.452 3.254 ( 0.315 -0.070 6.837) 6.844 3.417 ( 0.136 -4.669 6.631) 8.111 3.674 ( -2.248 0.963 -9.007) 9.333 3.686 ( -0.971 -1.163 -18.369) 18.431 4.026 ( -2.513 4.801 -12.992) 14.077 9.347 ( 2.714 4.307 34.493) 34.866 9.587 ( 6.341 -1.970 -16.035) 17.355 9.757 ( 3.708 -1.751 -9.023) 9.911 9.860 ( -2.549 -2.329 -4.021) 5.301 10.405 ( 13.689 -6.195 0.333) 15.029 10.697 ( -5.775 0.927 6.249) 8.560 11.121 ( -14.769 1.895 -10.089) 17.986 11.363 ( 0.067 3.102 5.765) 6.547 12.240 ( 0.183 10.048 -1.440) 10.152 12.323 ( -1.675 0.715 -1.273) 2.222 12.671 ( 1.227 -1.785 3.078) 3.764 12.828 ( -3.526 2.089 1.172) 4.262 13.233 ( 4.730 -16.881 0.581) 17.540 13.375 ( 6.014 1.149 -0.524) 6.145 13.673 ( 3.544 -3.114 5.240) 7.051 13.883 ( 0.338 0.297 -0.684) 0.819 14.326 ( -2.288 0.550 -14.423) 14.614 14.675 ( 2.030 7.318 4.512) 8.834 ======================= Grid point 84 (76/135) ======================= q-point: ( 0.28 -0.62 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.598 -0.740 -4.906) 4.997 1.712 ( -3.612 4.826 -0.047) 6.028 1.849 ( 3.491 -5.858 -5.746) 8.918 1.988 ( -1.134 -0.540 1.037) 1.629 2.033 ( 0.282 0.504 0.628) 0.853 2.123 ( -0.637 -0.636 -9.533) 9.576 2.331 ( -1.262 0.885 -19.015) 19.077 2.439 ( 3.801 -1.518 -7.380) 8.439 2.558 ( -1.747 -0.559 -5.152) 5.468 2.586 ( 0.514 2.186 -9.475) 9.737 2.804 ( 0.978 0.076 -2.509) 2.694 2.859 ( -1.881 1.225 -0.815) 2.388 3.090 ( 1.764 5.490 0.509) 5.789 3.191 ( 0.012 -3.858 1.709) 4.219 3.462 ( 0.907 0.695 -6.364) 6.466 3.906 ( -0.452 -3.119 16.970) 17.260 4.096 ( 0.186 -0.284 15.504) 15.508 4.394 ( -0.073 0.838 17.074) 17.095 8.560 ( -0.675 2.624 -33.180) 33.291 9.082 ( -0.625 -3.927 -1.132) 4.134 9.513 ( -0.165 0.145 12.508) 12.510 10.203 ( 1.410 0.181 -13.642) 13.716 10.627 ( 2.071 5.682 11.409) 12.913 10.744 ( -0.070 -4.423 7.025) 8.302 11.330 ( 0.260 -1.714 6.814) 7.031 11.719 ( -1.581 -0.589 5.478) 5.732 12.171 ( 1.275 1.648 -6.517) 6.842 12.521 ( -2.077 1.039 -1.614) 2.828 12.552 ( -3.573 -1.991 -4.904) 6.386 12.839 ( -1.680 5.026 7.145) 8.896 13.029 ( 2.354 -1.482 -2.211) 3.553 13.236 ( 0.136 1.941 4.063) 4.505 13.533 ( 3.310 -2.657 -1.397) 4.468 13.835 ( 2.059 2.357 9.821) 10.307 14.149 ( -1.693 -5.898 -8.638) 10.596 14.862 ( -0.457 2.202 12.198) 12.403 ======================= Grid point 86 (77/135) ======================= q-point: ( 0.48 -0.37 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -6.276 10.221 2.651) 12.284 1.274 ( -4.485 5.281 15.317) 16.811 1.446 ( 0.106 -3.703 15.384) 15.823 1.639 ( -1.638 0.668 1.860) 2.568 1.690 ( -9.071 3.552 0.222) 9.744 1.943 ( 2.507 -2.968 0.118) 3.887 2.038 ( -3.192 0.650 4.219) 5.331 2.100 ( 4.109 -3.651 4.319) 6.991 2.292 ( -3.346 3.648 1.353) 5.132 2.510 ( 1.876 -2.910 -2.837) 4.477 2.715 ( 3.946 -1.321 5.100) 6.582 3.085 ( -0.627 4.493 -2.922) 5.396 3.191 ( -5.859 -3.543 -0.661) 6.878 3.272 ( 5.097 1.122 2.183) 5.657 3.329 ( 1.580 -4.410 -3.222) 5.686 4.454 ( 2.236 2.095 -6.813) 7.471 4.536 ( 0.229 -0.382 -5.799) 5.816 4.779 ( -5.148 0.082 -7.856) 9.393 7.396 ( -4.108 -13.282 16.697) 21.727 9.557 ( 7.985 6.414 -4.597) 11.227 9.890 ( 14.237 0.042 8.359) 16.510 10.185 ( 2.821 3.327 -6.201) 7.581 10.364 ( -2.408 3.598 -4.190) 6.025 10.896 ( -3.553 -6.002 10.819) 12.873 11.518 ( 3.021 1.884 -5.842) 6.841 11.772 ( -1.624 -1.848 -6.265) 6.731 12.016 ( -7.681 -3.011 3.560) 8.985 12.266 ( -9.124 8.657 1.191) 12.634 12.533 ( 2.061 3.603 5.889) 7.205 12.842 ( -5.234 -7.501 -7.014) 11.527 13.091 ( -6.431 -7.594 -2.625) 10.291 13.332 ( -0.712 -6.203 3.399) 7.109 13.481 ( 2.149 -5.643 5.145) 7.933 13.863 ( 8.569 14.050 -1.410) 16.517 14.524 ( 4.559 2.014 -4.882) 6.977 15.307 ( 3.636 -1.552 -8.450) 9.329 ======================= Grid point 88 (78/135) ======================= q-point: (-0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -0.000 -5.770 -7.780) 9.686 1.352 ( -0.000 -0.775 -9.858) 9.889 1.499 ( -0.000 1.744 -0.794) 1.916 1.613 ( -0.000 0.001 -4.908) 4.908 2.169 ( 0.000 -1.165 1.526) 1.920 2.410 ( 0.000 1.942 0.453) 1.994 2.509 ( -0.000 -0.497 -0.533) 0.729 2.525 ( 0.000 1.171 0.818) 1.429 2.648 ( 0.000 -0.852 1.296) 1.551 2.709 ( -0.000 -2.702 -4.054) 4.872 3.092 ( -0.000 -1.880 -12.079) 12.224 3.178 ( -0.000 0.277 -22.299) 22.301 3.239 ( -0.000 0.341 -0.709) 0.787 3.328 ( 0.000 2.312 2.075) 3.107 3.675 ( 0.000 0.408 20.185) 20.189 3.675 ( 0.000 -1.845 18.510) 18.601 3.717 ( -0.000 3.854 -13.645) 14.179 3.809 ( 0.000 0.454 16.556) 16.563 9.127 ( -0.000 1.737 -25.532) 25.591 9.585 ( -0.000 -8.802 -9.847) 13.208 9.808 ( 0.000 1.557 5.914) 6.115 10.117 ( 0.000 0.525 12.299) 12.310 10.700 ( 0.000 3.348 11.935) 12.396 10.726 ( 0.000 0.261 6.110) 6.116 10.819 ( 0.000 -5.547 5.321) 7.686 11.439 ( 0.000 9.950 -1.065) 10.007 12.196 ( -0.000 1.699 -1.490) 2.259 12.249 ( -0.000 1.855 -4.623) 4.981 12.773 ( 0.000 3.406 1.688) 3.801 12.787 ( 0.000 2.906 1.114) 3.112 13.203 ( -0.000 -13.953 -8.806) 16.499 13.397 ( -0.000 -5.140 -3.627) 6.290 13.869 ( 0.000 -1.819 8.442) 8.636 13.895 ( 0.000 -0.403 3.121) 3.147 14.057 ( -0.000 -1.666 -6.411) 6.624 14.825 ( 0.000 9.643 6.443) 11.598 ======================= Grid point 90 (79/135) ======================= q-point: (-0.13 0.13 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 11.056 0.000 0.000) 11.056 0.687 ( 14.807 0.000 0.000) 14.807 1.454 ( 16.438 0.000 0.000) 16.438 1.545 ( -2.092 -0.000 -0.000) 2.092 1.577 ( 15.821 0.000 0.000) 15.821 1.624 ( 8.087 0.000 0.000) 8.087 2.052 ( 3.141 0.000 0.000) 3.141 2.195 ( -1.258 -0.000 -0.000) 1.258 2.390 ( -0.463 -0.000 -0.000) 0.463 2.670 ( -5.191 -0.000 -0.000) 5.191 2.773 ( -6.944 -0.000 -0.000) 6.944 2.969 ( -1.305 -0.000 -0.000) 1.305 3.104 ( 4.428 0.000 0.000) 4.428 3.365 ( -5.314 -0.000 -0.000) 5.314 3.624 ( -3.052 -0.000 -0.000) 3.052 4.583 ( 0.622 0.000 0.000) 0.622 4.617 ( -0.643 -0.000 -0.000) 0.643 4.638 ( 0.926 0.000 0.000) 0.926 8.017 ( -13.901 -0.000 -0.000) 13.901 9.178 ( 9.934 0.000 0.000) 9.934 9.793 ( 8.688 0.000 0.000) 8.688 10.072 ( -20.409 -0.000 -0.000) 20.409 10.226 ( 4.259 0.000 0.000) 4.259 11.323 ( 0.751 0.000 0.000) 0.751 11.327 ( -13.322 -0.000 -0.000) 13.322 11.775 ( 12.399 0.000 0.000) 12.399 11.990 ( -2.357 -0.000 -0.000) 2.357 12.107 ( 6.088 0.000 0.000) 6.088 12.657 ( -4.207 -0.000 -0.000) 4.207 12.857 ( -7.861 -0.000 -0.000) 7.861 13.401 ( -0.864 -0.000 -0.000) 0.864 13.543 ( 5.810 0.000 0.000) 5.810 13.605 ( -2.953 -0.000 -0.000) 2.953 14.391 ( -5.860 -0.000 -0.000) 5.860 14.392 ( 3.697 0.000 0.000) 3.697 14.639 ( 4.885 0.000 0.000) 4.885 ======================= Grid point 91 (80/135) ======================= q-point: ( 0.47 -0.25 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -4.127 11.238 5.229) 13.064 1.428 ( -7.642 6.289 -0.279) 9.901 1.507 ( -4.741 4.008 9.394) 11.260 1.619 ( -1.731 2.287 1.302) 3.150 1.857 ( 0.166 -2.786 20.993) 21.177 1.987 ( -0.846 -0.220 7.393) 7.444 2.163 ( 1.660 -2.326 6.114) 6.749 2.302 ( 2.547 -8.461 3.668) 9.567 2.376 ( 2.975 3.720 8.617) 9.846 2.539 ( 3.226 1.831 2.990) 4.764 2.854 ( 0.663 -2.101 3.917) 4.494 2.949 ( -7.126 2.942 0.334) 7.716 3.104 ( -0.792 -2.587 -2.151) 3.457 3.286 ( 2.413 -4.818 -4.269) 6.874 3.401 ( 2.598 0.036 1.045) 2.800 4.301 ( 2.278 0.812 -13.809) 14.019 4.370 ( -0.026 -0.779 -11.644) 11.670 4.471 ( -4.006 1.000 -12.036) 12.725 7.812 ( -1.547 -7.403 30.621) 31.541 9.643 ( 5.225 4.904 -0.242) 7.170 10.152 ( 7.820 6.139 -11.955) 15.549 10.202 ( -5.270 7.378 6.366) 11.079 10.414 ( 14.654 -9.579 3.296) 17.815 10.944 ( -5.216 -3.664 5.930) 8.707 11.276 ( 1.384 -11.376 -22.899) 25.607 11.550 ( -14.981 5.786 -7.402) 17.683 11.874 ( -1.213 4.151 8.986) 9.973 12.308 ( 1.109 -4.433 3.055) 5.497 12.654 ( -3.724 -5.486 -0.443) 6.645 12.759 ( 0.405 12.127 7.429) 14.227 12.954 ( -1.651 -4.208 2.398) 5.117 13.420 ( 0.656 -11.597 5.987) 13.068 13.655 ( 2.898 -5.824 5.552) 8.552 13.945 ( 4.977 12.161 -5.327) 14.179 14.483 ( 1.702 5.693 -4.873) 7.685 15.102 ( 1.256 -2.289 -17.503) 17.697 ======================= Grid point 95 (81/135) ======================= q-point: (-0.13 0.24 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 10.999 0.000 5.616) 12.349 1.047 ( 6.423 0.000 27.354) 28.098 1.562 ( 3.752 -0.000 -1.824) 4.172 1.615 ( -2.641 0.000 11.852) 12.143 1.831 ( 7.119 0.000 4.118) 8.224 1.959 ( 7.223 0.000 2.713) 7.716 2.151 ( -2.593 -0.000 -0.300) 2.610 2.199 ( 5.194 0.000 5.081) 7.266 2.446 ( 8.893 -0.000 -1.503) 9.019 2.510 ( -6.453 -0.000 -3.422) 7.305 2.639 ( -8.193 0.000 2.872) 8.682 2.908 ( -0.723 -0.000 -3.265) 3.344 3.206 ( -7.781 -0.000 -1.633) 7.950 3.271 ( 3.497 0.000 6.459) 7.345 3.507 ( -3.736 -0.000 -4.094) 5.542 4.521 ( 0.083 -0.000 -7.031) 7.032 4.573 ( 0.508 -0.000 -4.057) 4.088 4.598 ( 1.719 -0.000 -6.851) 7.063 7.797 ( -14.406 0.000 10.190) 17.645 9.367 ( 9.236 -0.000 -3.109) 9.745 9.655 ( -9.745 -0.000 -4.858) 10.889 10.041 ( 7.690 0.000 6.379) 9.991 10.410 ( 0.456 0.000 8.101) 8.113 11.026 ( -6.180 -0.000 -5.635) 8.363 11.363 ( -2.926 0.000 1.909) 3.494 11.843 ( 2.420 -0.000 -4.803) 5.379 12.034 ( 0.841 0.000 3.804) 3.896 12.296 ( 6.942 0.000 4.361) 8.198 12.557 ( 3.710 -0.000 -6.829) 7.771 12.721 ( -4.023 -0.000 -0.741) 4.091 13.324 ( -0.303 -0.000 -4.905) 4.914 13.390 ( -2.228 -0.000 -8.336) 8.628 13.697 ( -2.574 0.000 4.518) 5.200 14.149 ( -15.676 -0.000 -0.563) 15.686 14.466 ( 5.201 -0.000 -2.188) 5.642 14.784 ( 7.240 -0.000 -1.848) 7.472 ======================= Grid point 96 (82/135) ======================= q-point: ( 0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 0.000 12.042 5.874) 13.399 1.271 ( -0.000 -2.109 -4.232) 4.729 1.582 ( 0.000 9.312 3.253) 9.864 1.605 ( -0.000 0.593 -0.270) 0.651 2.145 ( 0.000 -0.435 6.710) 6.724 2.222 ( 0.000 -4.179 9.499) 10.377 2.326 ( 0.000 -1.307 8.669) 8.767 2.367 ( 0.000 -7.826 6.671) 10.283 2.645 ( 0.000 4.912 2.123) 5.351 2.714 ( 0.000 1.309 13.611) 13.674 2.895 ( 0.000 2.268 7.356) 7.698 2.961 ( 0.000 -0.742 7.439) 7.476 3.088 ( 0.000 -3.128 2.885) 4.255 3.247 ( -0.000 -3.399 -2.400) 4.161 3.441 ( 0.000 -1.936 1.012) 2.185 3.998 ( -0.000 -2.184 -18.733) 18.860 4.077 ( -0.000 -0.517 -16.899) 16.907 4.181 ( -0.000 3.877 -13.917) 14.447 8.484 ( 0.000 0.631 37.848) 37.854 9.747 ( 0.000 2.828 3.135) 4.222 10.006 ( -0.000 2.080 -11.919) 12.099 10.194 ( -0.000 1.385 -1.409) 1.976 10.623 ( -0.000 -11.621 -6.290) 13.214 10.916 ( -0.000 -8.050 -10.300) 13.073 10.921 ( -0.000 3.720 -3.536) 5.132 11.217 ( -0.000 2.924 -1.394) 3.239 12.030 ( 0.000 4.815 5.916) 7.628 12.339 ( -0.000 -2.043 -0.878) 2.224 12.645 ( 0.000 -3.593 2.626) 4.451 12.763 ( -0.000 2.377 -0.935) 2.554 13.176 ( 0.000 4.682 14.005) 14.767 13.562 ( 0.000 -12.791 4.989) 13.729 13.776 ( 0.000 -5.248 2.634) 5.872 13.877 ( -0.000 7.130 -4.463) 8.411 14.443 ( 0.000 9.845 -1.139) 9.910 14.718 ( -0.000 -3.178 -20.520) 20.764 ======================= Grid point 99 (83/135) ======================= q-point: ( 0.26 -0.26 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -9.246 12.270 0.000) 15.364 0.749 ( -3.798 14.286 0.000) 14.783 1.436 ( 0.922 -6.526 -0.000) 6.591 1.484 ( -5.955 0.961 -0.000) 6.032 1.532 ( -5.269 13.693 0.000) 14.671 1.557 ( -7.188 12.158 0.000) 14.124 1.952 ( -1.517 -2.631 -0.000) 3.037 2.226 ( 1.471 0.878 0.000) 1.713 2.373 ( 7.884 -2.245 0.000) 8.197 2.673 ( -1.456 -9.635 -0.000) 9.745 2.820 ( 4.388 -2.383 -0.000) 4.993 2.913 ( -7.268 3.643 0.000) 8.130 3.068 ( -0.269 3.046 0.000) 3.057 3.384 ( 2.912 -2.150 -0.000) 3.619 3.524 ( 1.528 -6.228 -0.000) 6.413 4.554 ( 2.775 0.343 0.000) 2.796 4.611 ( 0.269 -0.670 -0.000) 0.722 4.704 ( -4.372 2.474 0.000) 5.023 7.583 ( -0.315 -22.307 -0.000) 22.310 9.458 ( 1.218 12.426 0.000) 12.485 9.859 ( -3.566 8.833 0.000) 9.526 10.345 ( -0.913 7.875 0.000) 7.928 10.457 ( 20.673 -4.481 0.000) 21.153 11.011 ( 2.782 -14.386 -0.000) 14.652 11.422 ( -0.541 5.019 0.000) 5.048 11.675 ( -16.517 1.645 -0.000) 16.599 11.964 ( -1.246 1.885 0.000) 2.260 11.977 ( 1.280 -1.841 -0.000) 2.242 12.620 ( 5.850 -4.345 -0.000) 7.287 12.988 ( -12.343 -12.346 -0.000) 17.458 13.176 ( -7.459 -8.114 -0.000) 11.021 13.334 ( -0.189 -3.605 -0.000) 3.610 13.542 ( 1.009 -5.098 -0.000) 5.197 13.697 ( 8.386 19.851 0.000) 21.549 14.515 ( -3.265 5.290 0.000) 6.216 15.584 ( 10.973 -0.003 0.000) 10.973 ======================= Grid point 100 (84/135) ======================= q-point: (-0.14 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 6.011 0.000 6.289) 8.700 1.599 ( 3.166 -0.000 -0.916) 3.296 1.714 ( 3.816 0.000 27.405) 27.669 1.852 ( -2.925 0.000 15.221) 15.500 1.953 ( -3.327 0.000 2.138) 3.955 2.094 ( -2.854 0.000 1.666) 3.305 2.128 ( 5.284 0.000 6.287) 8.212 2.314 ( -6.591 -0.000 -0.571) 6.615 2.429 ( 2.097 0.000 9.210) 9.446 2.504 ( -8.894 -0.000 0.890) 8.939 2.656 ( 11.960 -0.000 -2.094) 12.142 2.854 ( 2.629 -0.000 -2.116) 3.375 2.997 ( -7.258 -0.000 -3.086) 7.887 3.337 ( -3.175 -0.000 -4.537) 5.538 3.412 ( -1.213 0.000 3.831) 4.018 4.328 ( 0.238 -0.000 -12.721) 12.724 4.428 ( -0.159 -0.000 -12.434) 12.435 4.476 ( 1.267 -0.000 -7.544) 7.650 7.906 ( -6.483 0.000 24.967) 25.795 9.425 ( 5.080 -0.000 -5.788) 7.702 9.499 ( 1.647 -0.000 -2.653) 3.122 10.286 ( 3.549 0.000 3.052) 4.681 10.483 ( -5.547 0.000 3.756) 6.699 10.822 ( -0.595 -0.000 -8.070) 8.092 11.277 ( -7.066 0.000 2.176) 7.394 11.844 ( 2.412 0.000 0.953) 2.594 12.110 ( 0.958 0.000 1.975) 2.195 12.512 ( 11.540 -0.000 -2.090) 11.728 12.635 ( -2.233 -0.000 -2.025) 3.014 12.666 ( 10.883 0.000 1.185) 10.947 13.149 ( -5.824 -0.000 -7.113) 9.193 13.204 ( -2.231 -0.000 -5.003) 5.478 13.691 ( -1.183 0.000 0.540) 1.301 13.756 ( -17.532 -0.000 -0.954) 17.558 14.516 ( 4.267 -0.000 -2.869) 5.142 14.825 ( 4.512 -0.000 -7.119) 8.428 ======================= Grid point 104 (85/135) ======================= q-point: ( 0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 0.000 13.481 4.801) 14.310 0.887 ( 0.000 14.464 13.187) 19.573 1.398 ( 0.000 2.599 1.362) 2.935 1.517 ( 0.000 1.842 1.993) 2.714 1.577 ( 0.000 17.625 13.314) 22.089 1.602 ( 0.000 -3.567 11.702) 12.234 2.020 ( 0.000 -2.561 8.281) 8.668 2.239 ( 0.000 1.286 0.087) 1.289 2.483 ( 0.000 2.403 0.226) 2.413 2.636 ( -0.000 -10.207 -1.237) 10.282 2.806 ( -0.000 1.200 -1.206) 1.702 2.881 ( 0.000 -2.159 1.115) 2.430 3.099 ( 0.000 1.058 3.057) 3.235 3.415 ( -0.000 -0.989 -0.074) 0.992 3.504 ( -0.000 -5.910 -3.556) 6.897 4.547 ( -0.000 0.123 -6.470) 6.472 4.555 ( -0.000 1.558 -7.308) 7.473 4.560 ( -0.000 -0.193 -5.707) 5.710 7.690 ( 0.000 -21.004 11.308) 23.854 9.493 ( 0.000 12.204 1.974) 12.362 9.849 ( 0.000 9.336 3.978) 10.148 10.268 ( -0.000 8.321 -6.197) 10.375 10.801 ( -0.000 -9.227 3.435) 9.845 10.961 ( -0.000 -5.398 -2.628) 6.004 11.327 ( -0.000 4.455 -4.818) 6.562 11.650 ( 0.000 -5.337 11.733) 12.890 11.798 ( -0.000 -4.839 -9.818) 10.946 12.192 ( 0.000 4.254 13.705) 14.350 12.689 ( -0.000 -5.192 -10.782) 11.967 12.726 ( -0.000 -5.679 -0.636) 5.715 13.017 ( -0.000 -3.877 -2.916) 4.851 13.467 ( 0.000 -9.956 11.549) 15.248 13.658 ( 0.000 -5.398 7.905) 9.572 13.767 ( 0.000 19.176 -2.883) 19.392 14.432 ( -0.000 6.890 -3.491) 7.724 15.532 ( -0.000 -1.530 -16.858) 16.927 ======================= Grid point 105 (86/135) ======================= q-point: (-0.15 0.48 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -1.607 0.000 1.729) 2.360 1.676 ( 4.015 0.000 0.463) 4.041 1.866 ( -5.805 0.000 2.919) 6.498 1.901 ( -5.378 -0.000 0.168) 5.380 2.093 ( -4.898 0.000 1.004) 5.000 2.177 ( 1.316 0.000 5.631) 5.782 2.269 ( -9.004 0.000 7.370) 11.636 2.436 ( 7.031 0.000 16.227) 17.685 2.449 ( 2.212 0.000 10.888) 11.111 2.645 ( -2.197 0.000 13.634) 13.810 2.774 ( -5.759 -0.000 -5.466) 7.940 2.860 ( 8.112 0.000 2.660) 8.537 2.978 ( 7.773 0.000 1.742) 7.966 3.233 ( -1.675 -0.000 -0.782) 1.849 3.383 ( -3.333 -0.000 -0.331) 3.349 4.037 ( 0.660 -0.000 -17.621) 17.634 4.114 ( -4.160 -0.000 -13.590) 14.213 4.335 ( 0.746 -0.000 -8.936) 8.967 8.492 ( 2.327 0.000 36.687) 36.761 9.399 ( 4.281 -0.000 -5.419) 6.906 9.581 ( 11.606 -0.000 -4.815) 12.565 10.132 ( 1.589 -0.000 -22.972) 23.027 10.354 ( -11.213 0.000 3.388) 11.714 10.785 ( -2.832 0.000 7.488) 8.006 11.247 ( -4.075 0.000 7.455) 8.496 11.847 ( 0.300 -0.000 -10.905) 10.909 12.209 ( 2.596 0.000 7.316) 7.763 12.533 ( -4.782 -0.000 -0.563) 4.815 12.659 ( 10.910 -0.000 -12.612) 16.676 12.846 ( -3.171 0.000 2.456) 4.011 13.019 ( 8.610 0.000 -0.060) 8.610 13.031 ( -6.714 -0.000 -0.525) 6.734 13.516 ( -5.648 0.000 3.107) 6.446 13.721 ( 4.035 0.000 0.173) 4.039 14.553 ( 3.264 -0.000 -0.585) 3.316 14.690 ( 0.301 -0.000 -11.473) 11.477 ======================= Grid point 108 (87/135) ======================= q-point: (-0.35 0.35 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 5.902 -5.735 -0.000) 8.230 1.233 ( 8.689 -3.764 -0.000) 9.470 1.389 ( -3.451 3.139 0.000) 4.665 1.622 ( 0.911 2.429 0.000) 2.594 1.853 ( 1.660 0.145 0.000) 1.666 1.908 ( -5.014 2.307 0.000) 5.520 2.102 ( -2.046 -0.589 -0.000) 2.129 2.282 ( 2.640 1.776 0.000) 3.182 2.359 ( -6.394 -0.178 -0.000) 6.396 2.439 ( 1.397 1.274 0.000) 1.891 2.775 ( 5.162 2.126 0.000) 5.582 2.920 ( -3.810 4.341 0.000) 5.776 3.005 ( 2.425 -2.415 -0.000) 3.423 3.345 ( -0.762 -6.071 -0.000) 6.119 3.439 ( -3.660 2.331 0.000) 4.339 4.528 ( 0.819 4.699 0.000) 4.770 4.591 ( -0.341 0.044 -0.000) 0.344 4.852 ( 2.202 -8.132 -0.000) 8.425 7.395 ( -12.756 -3.234 -0.000) 13.160 9.428 ( -2.124 8.439 0.000) 8.702 9.562 ( 7.363 4.144 0.000) 8.449 10.165 ( 1.886 -6.765 -0.000) 7.022 10.427 ( 3.553 -0.285 0.000) 3.565 10.859 ( -3.949 4.149 0.000) 5.728 11.479 ( 5.394 -1.980 -0.000) 5.746 11.865 ( -2.756 0.307 -0.000) 2.773 11.998 ( -2.421 -2.734 -0.000) 3.652 12.361 ( 4.621 -0.190 0.000) 4.625 12.678 ( 4.097 2.801 0.000) 4.963 12.820 ( -0.820 -10.290 -0.000) 10.323 13.339 ( -1.484 0.488 -0.000) 1.562 13.433 ( -3.958 -0.291 -0.000) 3.969 13.511 ( -5.927 6.054 0.000) 8.472 13.784 ( -6.776 3.051 0.000) 7.431 14.451 ( 3.690 7.351 0.000) 8.226 15.132 ( 4.679 -9.292 -0.000) 10.404 ======================= Grid point 110 (88/135) ======================= q-point: (-0.15 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -9.733 -0.000 -2.375) 10.018 1.622 ( -3.188 -0.000 -6.528) 7.265 1.718 ( -7.425 -0.000 -3.325) 8.136 1.909 ( -7.705 -0.000 -3.013) 8.273 1.964 ( 2.716 0.000 8.640) 9.057 2.236 ( 3.982 -0.000 -0.756) 4.053 2.359 ( 3.364 0.000 4.673) 5.758 2.578 ( -3.706 -0.000 -2.721) 4.598 2.706 ( -4.188 0.000 5.036) 6.550 2.736 ( 0.434 0.000 8.206) 8.217 2.961 ( 7.969 0.000 9.074) 12.076 3.121 ( 5.858 0.000 8.051) 9.957 3.204 ( 1.808 0.000 8.949) 9.130 3.260 ( 1.094 0.000 6.670) 6.759 3.318 ( 0.959 -0.000 -1.191) 1.529 3.664 ( 0.557 -0.000 -21.592) 21.599 3.807 ( -6.527 -0.000 -2.257) 6.906 4.141 ( -2.539 -0.000 -9.313) 9.653 9.287 ( 4.260 0.000 27.783) 28.107 9.405 ( 7.238 -0.000 -10.098) 12.424 9.690 ( 2.794 -0.000 -18.897) 19.103 9.767 ( 14.615 0.000 -0.010) 14.615 10.242 ( -9.384 0.000 8.901) 12.934 10.852 ( -7.367 0.000 8.743) 11.433 11.373 ( 0.941 0.000 7.278) 7.338 11.424 ( -9.694 -0.000 -16.807) 19.402 12.388 ( -3.759 0.000 2.481) 4.504 12.468 ( -0.079 -0.000 -12.167) 12.167 12.481 ( 6.111 0.000 0.624) 6.143 12.886 ( 0.537 0.000 2.275) 2.338 12.993 ( -2.826 0.000 6.028) 6.657 13.205 ( 10.770 -0.000 -5.377) 12.038 13.590 ( 1.706 0.000 6.778) 6.990 13.839 ( 3.469 0.000 1.953) 3.981 14.410 ( -3.833 -0.000 -12.158) 12.747 14.666 ( 4.621 0.000 4.047) 6.142 ======================= Grid point 111 (89/135) ======================= q-point: (-0.55 0.22 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.254 -0.456 -6.815) 8.617 1.628 ( 4.380 -5.436 0.060) 6.981 1.856 ( 9.578 -1.626 -1.480) 9.827 1.898 ( 2.657 3.789 -2.778) 5.397 2.043 ( -2.758 2.452 -2.545) 4.483 2.112 ( -0.359 -0.814 -7.467) 7.520 2.299 ( 1.116 -0.564 -12.796) 12.857 2.477 ( 3.410 -0.358 -7.250) 8.020 2.519 ( -1.737 5.221 -2.669) 6.116 2.588 ( -1.186 -1.959 -15.402) 15.571 2.874 ( -3.865 -3.796 -2.339) 5.901 2.915 ( -5.018 -0.989 -5.686) 7.648 3.129 ( -1.641 -2.078 3.351) 4.271 3.192 ( -0.505 4.991 2.963) 5.826 3.464 ( 0.529 0.863 -7.224) 7.294 3.909 ( -0.722 1.973 17.447) 17.573 4.103 ( -0.421 0.533 15.378) 15.393 4.353 ( 3.696 -0.893 16.823) 17.247 8.541 ( 0.795 -1.654 -30.416) 30.471 9.167 ( -7.832 0.536 -1.990) 8.098 9.549 ( -3.550 -0.917 10.897) 11.497 10.279 ( -5.597 1.254 -12.819) 14.043 10.623 ( 3.476 0.181 -7.593) 8.353 10.750 ( -1.841 3.729 24.457) 24.808 11.310 ( 2.116 2.469 8.400) 9.007 11.636 ( 6.188 -2.595 6.968) 9.673 12.149 ( 3.199 1.256 -7.823) 8.545 12.396 ( 6.284 -3.510 0.722) 7.234 12.556 ( -3.472 -5.324 -6.603) 9.165 12.904 ( -2.964 -3.785 1.233) 4.963 13.067 ( -2.489 2.964 0.072) 3.871 13.212 ( 0.515 -1.621 4.003) 4.349 13.625 ( -4.566 5.231 -1.047) 7.022 13.919 ( -4.185 2.557 11.000) 12.043 14.141 ( -1.517 2.324 -9.076) 9.491 14.837 ( 1.781 -2.577 12.182) 12.578 ======================= Grid point 113 (90/135) ======================= q-point: ( 0.64 -0.53 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 2.932 -2.252 19.084) 19.439 1.371 ( 0.655 2.934 3.618) 4.704 1.481 ( -1.239 -0.085 12.469) 12.531 1.636 ( 0.279 0.776 2.197) 2.347 1.817 ( -2.462 -0.189 -0.399) 2.502 1.949 ( -4.200 3.052 8.055) 9.583 2.057 ( -1.707 -1.839 0.075) 2.510 2.099 ( -7.243 -0.312 1.798) 7.470 2.387 ( -3.888 -2.536 -0.529) 4.672 2.456 ( 4.154 0.608 -1.232) 4.375 2.756 ( -1.854 8.920 2.243) 9.383 3.001 ( 9.188 -1.442 -2.918) 9.747 3.078 ( 2.465 -5.174 -1.166) 5.848 3.315 ( -2.280 -1.185 1.275) 2.869 3.326 ( -3.913 0.849 -2.742) 4.853 4.486 ( 1.311 4.410 -6.807) 8.216 4.533 ( 0.029 0.652 -5.527) 5.565 4.785 ( -1.216 -6.531 -8.073) 10.455 7.334 ( -8.675 -6.084 18.718) 21.509 9.460 ( 9.145 8.207 -4.040) 12.935 9.735 ( 4.895 -0.748 2.732) 5.655 10.158 ( 2.397 2.158 -2.114) 3.856 10.468 ( 0.150 1.306 -1.121) 1.727 10.890 ( -3.724 -3.210 8.507) 9.826 11.427 ( 3.474 -2.443 -15.967) 16.522 11.794 ( -1.833 -0.364 -0.025) 1.869 12.022 ( -3.068 -2.719 6.892) 8.019 12.524 ( 5.202 3.937 8.513) 10.726 12.672 ( -3.710 5.166 -3.443) 7.232 12.789 ( -1.395 -4.586 -1.697) 5.085 13.193 ( -13.726 -1.795 -3.191) 14.206 13.266 ( -0.270 -1.032 -4.221) 4.353 13.390 ( -3.959 -1.382 2.970) 5.138 13.812 ( 8.060 -0.773 -1.734) 8.281 14.512 ( 4.638 8.601 -3.009) 10.224 15.168 ( 3.547 -6.029 -5.979) 9.202 ======================= Grid point 115 (91/135) ======================= q-point: (-0.16 -0.28 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -13.238 -0.000 -5.304) 14.261 1.369 ( -3.078 -0.000 -11.661) 12.060 1.542 ( -2.120 -0.000 -3.355) 3.969 1.683 ( -6.098 -0.000 -4.654) 7.671 2.143 ( 1.301 0.000 3.612) 3.840 2.387 ( 6.496 0.000 3.254) 7.265 2.421 ( 0.999 -0.000 -2.556) 2.744 2.594 ( 2.097 0.000 3.196) 3.823 2.622 ( -3.628 -0.000 -2.927) 4.661 2.721 ( -2.244 -0.000 -3.973) 4.563 3.082 ( -0.465 -0.000 -11.298) 11.308 3.189 ( -0.767 -0.000 -25.752) 25.763 3.206 ( 3.337 0.000 4.862) 5.897 3.314 ( 3.544 0.000 2.259) 4.203 3.553 ( 5.891 0.000 8.677) 10.488 3.659 ( 1.467 0.000 20.900) 20.951 3.855 ( -3.377 0.000 15.236) 15.606 3.876 ( -7.121 -0.000 -4.033) 8.184 9.127 ( 3.375 -0.000 -21.655) 21.917 9.436 ( 2.796 -0.000 -9.738) 10.131 9.727 ( 8.046 0.000 1.778) 8.240 10.216 ( -7.141 0.000 3.493) 7.950 10.445 ( 13.475 0.000 24.745) 28.176 10.827 ( -7.473 0.000 5.979) 9.570 11.001 ( -10.362 0.000 1.755) 10.509 11.510 ( 2.452 0.000 1.446) 2.847 12.256 ( -0.709 -0.000 -8.340) 8.370 12.288 ( -2.056 -0.000 -3.662) 4.200 12.653 ( 9.723 -0.000 -1.981) 9.923 12.928 ( -0.402 0.000 1.876) 1.919 13.027 ( -5.326 0.000 2.530) 5.896 13.260 ( 6.959 -0.000 -7.525) 10.250 13.800 ( 3.642 0.000 7.729) 8.544 13.913 ( -1.370 0.000 4.046) 4.271 14.114 ( -5.297 -0.000 -6.086) 8.068 14.875 ( 4.697 0.000 5.526) 7.252 ======================= Grid point 118 (92/135) ======================= q-point: ( 0.64 -0.41 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.293 7.853 1.111) 8.256 1.615 ( -6.698 -0.397 1.770) 6.939 1.694 ( -4.316 1.229 6.792) 8.141 1.757 ( -2.745 2.407 15.355) 15.783 1.827 ( -0.643 -1.142 17.035) 17.085 1.918 ( 0.573 -3.164 2.943) 4.359 2.026 ( -1.135 -2.433 0.491) 2.729 2.255 ( -2.800 -0.720 13.980) 14.275 2.358 ( 1.265 -0.056 4.864) 5.026 2.498 ( 5.560 2.898 -1.061) 6.359 2.818 ( -0.117 -0.345 2.961) 2.984 3.042 ( -0.910 -5.100 -1.819) 5.490 3.100 ( 4.092 0.546 -1.956) 4.568 3.184 ( -3.008 0.361 -2.919) 4.207 3.334 ( 1.830 -0.366 0.313) 1.893 4.307 ( 0.586 2.701 -13.810) 14.083 4.360 ( -0.301 -0.195 -12.241) 12.246 4.536 ( -2.592 -2.290 -10.781) 11.322 7.763 ( -3.022 -3.089 35.701) 35.962 9.566 ( 7.691 3.285 -4.095) 9.312 9.952 ( 14.809 -1.928 -0.488) 14.942 10.174 ( 2.866 7.182 -5.370) 9.414 10.420 ( -4.684 0.307 2.793) 5.463 10.955 ( -2.820 -9.299 3.051) 10.185 11.049 ( -1.646 -4.046 -18.448) 18.958 11.847 ( -1.881 3.088 2.149) 4.206 12.054 ( -5.201 2.254 4.615) 7.310 12.381 ( -9.509 4.717 -2.385) 10.879 12.670 ( -5.843 -1.928 -0.354) 6.163 12.889 ( 5.811 3.596 8.085) 10.586 12.935 ( -5.075 -1.418 1.646) 5.520 13.219 ( 1.419 -5.397 -1.475) 5.772 13.456 ( 2.333 -6.175 4.581) 8.034 13.943 ( 10.641 2.856 -6.640) 12.864 14.530 ( 3.590 7.173 -3.463) 8.737 15.028 ( 0.682 -4.022 -12.802) 13.436 ======================= Grid point 119 (93/135) ======================= q-point: ( 0.23 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 4.072 -0.457 6.339) 7.548 1.581 ( 4.308 1.539 -3.905) 6.014 1.887 ( 7.410 1.918 1.363) 7.774 1.933 ( 5.833 -2.010 0.629) 6.202 2.115 ( -5.053 -0.989 5.456) 7.502 2.180 ( -0.266 2.010 -0.539) 2.098 2.386 ( 3.509 3.064 -1.471) 4.885 2.467 ( 2.815 -4.980 -1.490) 5.912 2.742 ( -0.862 -0.720 13.415) 13.461 2.892 ( -3.423 4.892 3.302) 6.823 2.936 ( -2.515 2.405 1.221) 3.688 2.972 ( -6.921 -2.557 -0.294) 7.384 3.060 ( -1.012 -3.416 8.327) 9.057 3.307 ( -0.255 -0.130 6.872) 6.878 3.517 ( -0.706 6.529 -8.550) 10.781 3.669 ( 0.920 0.663 -0.437) 1.215 3.811 ( 0.261 -6.355 -7.488) 9.824 4.011 ( 3.327 -2.219 -16.920) 17.386 9.103 ( -0.797 5.351 18.881) 19.641 9.332 ( -4.786 0.061 16.927) 17.591 9.364 ( -5.328 -1.046 -2.912) 6.161 10.048 ( -3.951 2.656 -34.458) 34.786 10.598 ( 0.824 -4.810 6.209) 7.898 10.725 ( -0.010 -6.486 1.385) 6.632 11.245 ( 2.110 -0.745 5.297) 5.751 11.422 ( 5.787 2.169 -12.593) 14.028 12.343 ( 6.356 -2.067 7.324) 9.916 12.371 ( 7.194 2.755 -0.998) 7.768 12.669 ( -6.528 6.783 5.381) 10.843 12.855 ( -6.146 -0.901 -3.208) 6.991 13.097 ( -0.804 0.743 1.711) 2.031 13.147 ( -1.663 1.211 -2.350) 3.123 13.641 ( -3.928 -0.828 0.154) 4.017 13.730 ( -5.910 -2.855 -6.482) 9.225 14.344 ( 1.213 -1.084 11.189) 11.306 14.589 ( 1.446 -0.177 -12.408) 12.493 ======================= Grid point 120 (94/135) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.000 -0.000 -9.176) 9.176 1.059 ( -0.000 -0.000 -15.719) 15.719 1.494 ( -0.000 -0.000 -1.725) 1.725 1.501 ( -0.000 -0.000 -4.326) 4.326 2.195 ( 0.000 0.000 1.018) 1.018 2.328 ( -0.000 -0.000 -15.221) 15.221 2.399 ( -0.000 -0.000 -0.585) 0.585 2.434 ( -0.000 -0.000 -21.800) 21.800 2.624 ( -0.000 -0.000 -24.318) 24.318 2.628 ( 0.000 0.000 4.856) 4.856 2.761 ( 0.000 0.000 4.995) 4.995 2.936 ( -0.000 -0.000 -2.118) 2.118 3.329 ( 0.000 0.000 4.179) 4.179 3.415 ( 0.000 0.000 4.872) 4.872 3.482 ( -0.000 -0.000 -12.981) 12.981 4.026 ( 0.000 0.000 17.779) 17.779 4.054 ( 0.000 0.000 17.008) 17.008 4.140 ( 0.000 0.000 15.471) 15.471 8.803 ( -0.000 -0.000 -15.318) 15.318 9.251 ( -0.000 -0.000 -10.052) 10.052 9.885 ( 0.000 0.000 3.668) 3.668 10.010 ( -0.000 -0.000 -11.778) 11.778 10.848 ( 0.000 0.000 5.146) 5.146 10.876 ( 0.000 0.000 7.548) 7.548 11.328 ( 0.000 0.000 32.569) 32.569 11.476 ( -0.000 -0.000 -8.336) 8.336 12.119 ( -0.000 -0.000 -4.024) 4.024 12.169 ( -0.000 -0.000 -6.337) 6.337 12.770 ( -0.000 -0.000 -8.873) 8.873 12.879 ( 0.000 0.000 2.994) 2.994 12.958 ( 0.000 0.000 2.377) 2.377 13.207 ( -0.000 -0.000 -5.488) 5.488 13.955 ( -0.000 -0.000 -2.575) 2.575 13.993 ( 0.000 0.000 6.712) 6.712 14.036 ( 0.000 0.000 8.883) 8.883 15.025 ( 0.000 0.000 3.570) 3.570 ======================= Grid point 123 (95/135) ======================= q-point: ( 0.63 -0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -4.755 -0.711 -5.384) 7.218 1.470 ( -5.651 9.270 2.678) 11.182 1.634 ( -2.645 -0.161 -1.364) 2.981 1.805 ( -3.450 6.618 -0.660) 7.492 2.042 ( 2.655 -10.277 2.681) 10.948 2.144 ( 0.084 0.647 12.423) 12.440 2.237 ( 1.684 -1.553 14.697) 14.875 2.370 ( -2.675 2.826 7.160) 8.149 2.594 ( 5.311 1.242 7.028) 8.896 2.754 ( 0.461 -1.703 8.345) 8.530 2.821 ( 3.671 -4.387 3.748) 6.839 3.045 ( -4.784 0.795 8.824) 10.069 3.098 ( -2.421 1.679 3.962) 4.937 3.159 ( 3.263 -1.728 -1.066) 3.844 3.377 ( 2.025 -2.026 -0.515) 2.910 3.969 ( -1.200 -0.728 -18.124) 18.178 4.065 ( 0.029 -0.724 -17.144) 17.159 4.277 ( -1.501 2.980 -11.946) 12.403 8.528 ( -0.212 2.052 43.390) 43.439 9.672 ( 7.258 -0.396 -0.624) 7.296 9.999 ( 2.273 2.843 -13.009) 13.508 10.187 ( -0.542 -4.514 -14.561) 15.254 10.393 ( 11.264 -2.837 1.068) 11.665 10.664 ( 0.470 -3.228 -8.116) 8.747 11.110 ( -3.538 0.454 11.701) 12.232 11.420 ( -16.402 0.664 -11.793) 20.212 12.202 ( 1.790 10.183 6.027) 11.968 12.320 ( -2.245 1.462 2.142) 3.430 12.593 ( -1.889 -3.485 3.700) 5.422 12.819 ( -3.156 -0.618 -0.292) 3.229 13.187 ( 4.806 -9.923 3.971) 11.719 13.299 ( 1.986 2.749 6.596) 7.416 13.611 ( 3.542 -6.629 3.029) 8.103 13.964 ( 4.642 3.857 -7.648) 9.742 14.555 ( 3.689 6.594 -2.584) 7.986 14.717 ( -2.619 -1.687 -14.244) 14.581 ======================= Grid point 124 (96/135) ======================= q-point: ( 0.23 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 0.200 -0.525 -5.866) 5.893 1.639 ( -0.872 0.520 5.429) 5.523 1.984 ( -0.362 0.288 -0.926) 1.035 2.005 ( -0.693 0.515 0.669) 1.092 2.030 ( 1.329 -1.223 -8.734) 8.919 2.173 ( -0.265 0.293 3.454) 3.477 2.472 ( 2.949 -0.466 -1.230) 3.229 2.522 ( -4.509 0.745 3.585) 5.809 2.690 ( 2.298 -0.994 -13.783) 14.009 2.829 ( -1.242 0.345 1.182) 1.749 2.864 ( 1.393 0.945 -3.005) 3.444 2.952 ( -1.323 4.124 -8.153) 9.232 3.038 ( 1.168 -3.842 -5.087) 6.481 3.299 ( 0.410 0.479 -4.397) 4.442 3.511 ( -0.115 6.331 5.590) 8.446 3.686 ( -0.595 1.852 3.521) 4.023 3.807 ( 0.773 -7.383 4.507) 8.684 4.049 ( -0.234 -2.453 17.244) 17.419 9.122 ( -3.332 1.240 -8.942) 9.623 9.282 ( 0.262 0.290 -19.773) 19.777 9.292 ( 1.257 -0.405 -3.930) 4.146 9.987 ( 1.783 7.923 34.049) 35.004 10.548 ( 3.723 -6.625 -13.739) 15.701 10.774 ( -2.794 -5.394 5.463) 8.170 11.264 ( 0.149 -0.467 -5.609) 5.630 11.500 ( -1.219 0.048 14.352) 14.404 12.394 ( 5.131 3.834 -12.879) 14.384 12.555 ( -8.072 4.882 0.183) 9.435 12.616 ( -4.289 -2.325 -1.449) 5.090 12.678 ( 5.484 -1.259 7.831) 9.642 13.088 ( 1.240 1.204 -3.237) 3.670 13.157 ( -0.621 1.869 3.824) 4.301 13.570 ( 2.364 -1.988 -2.860) 4.209 13.663 ( -0.790 -0.779 6.864) 6.953 14.357 ( -0.048 -1.823 -12.022) 12.160 14.609 ( -0.224 0.600 13.194) 13.209 ======================= Grid point 126 (97/135) ======================= q-point: ( 0.42 -0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -3.197 7.839 0.000) 8.466 1.156 ( -8.621 9.919 0.000) 13.142 1.272 ( 0.812 -6.314 -0.000) 6.366 1.623 ( -0.098 1.900 0.000) 1.902 1.677 ( -8.199 2.511 -0.000) 8.575 1.955 ( -4.454 -2.708 -0.000) 5.212 1.978 ( 2.948 -0.380 0.000) 2.972 2.073 ( 2.584 -2.369 -0.000) 3.506 2.281 ( -3.842 3.658 0.000) 5.305 2.552 ( -0.283 -1.993 -0.000) 2.013 2.651 ( 6.866 -1.932 0.000) 7.133 3.138 ( 0.943 3.262 0.000) 3.396 3.174 ( -8.996 1.609 -0.000) 9.138 3.246 ( 6.704 -1.294 0.000) 6.828 3.366 ( 1.051 -5.006 -0.000) 5.116 4.522 ( 2.313 2.153 0.000) 3.160 4.594 ( 0.209 -0.431 -0.000) 0.479 4.859 ( -5.109 0.952 -0.000) 5.197 7.227 ( -4.714 -16.531 -0.000) 17.190 9.628 ( 2.749 8.571 0.000) 9.001 9.779 ( 19.336 -0.772 0.000) 19.351 10.227 ( -1.765 2.149 0.000) 2.781 10.480 ( 1.263 5.122 0.000) 5.276 10.734 ( -0.613 -6.395 -0.000) 6.424 11.559 ( -0.670 6.134 0.000) 6.170 11.894 ( 2.683 -2.343 -0.000) 3.562 11.916 ( -4.684 -3.702 -0.000) 5.970 12.265 ( -14.433 11.617 0.000) 18.528 12.478 ( 1.303 -2.130 -0.000) 2.497 12.936 ( -6.595 -11.849 -0.000) 13.561 13.124 ( -6.127 -9.197 -0.000) 11.051 13.280 ( -1.476 -2.732 -0.000) 3.105 13.416 ( 0.283 -5.046 -0.000) 5.054 13.881 ( 10.644 16.832 0.000) 19.915 14.575 ( 3.872 1.050 0.000) 4.012 15.394 ( 5.173 -1.993 -0.000) 5.543 ======================= Grid point 128 (98/135) ======================= q-point: (-0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 -4.443 -7.762) 8.943 1.453 ( 0.000 7.747 0.036) 7.747 1.546 ( -0.000 -1.377 -4.220) 4.439 1.708 ( -0.000 3.627 -4.431) 5.727 2.126 ( 0.000 -5.437 2.683) 6.063 2.340 ( 0.000 5.511 6.462) 8.493 2.453 ( 0.000 -0.497 5.764) 5.786 2.477 ( 0.000 -1.313 4.621) 4.804 2.655 ( -0.000 -7.511 -2.393) 7.883 2.750 ( 0.000 1.379 -0.062) 1.380 3.161 ( 0.000 -1.337 6.361) 6.500 3.206 ( 0.000 0.831 11.425) 11.455 3.243 ( 0.000 2.341 7.488) 7.846 3.270 ( 0.000 1.582 14.326) 14.413 3.412 ( 0.000 -3.869 4.465) 5.908 3.644 ( -0.000 -0.429 -7.671) 7.683 3.682 ( -0.000 -1.062 -21.439) 21.465 3.997 ( -0.000 4.453 -14.228) 14.908 9.383 ( 0.000 6.994 40.250) 40.853 9.653 ( -0.000 -1.686 -26.476) 26.529 9.801 ( -0.000 -7.284 -12.501) 14.468 9.820 ( 0.000 -2.465 5.225) 5.777 10.607 ( 0.000 1.654 5.557) 5.798 10.745 ( 0.000 -4.967 1.933) 5.330 10.802 ( -0.000 1.810 -12.740) 12.868 11.363 ( 0.000 2.888 8.212) 8.706 12.242 ( 0.000 10.188 -2.252) 10.434 12.304 ( -0.000 -0.483 -0.777) 0.915 12.704 ( 0.000 2.251 5.248) 5.711 12.774 ( 0.000 1.339 0.114) 1.344 13.287 ( -0.000 -19.428 0.303) 19.430 13.438 ( 0.000 2.045 1.419) 2.489 13.718 ( 0.000 -4.973 5.486) 7.404 13.882 ( -0.000 2.100 -3.004) 3.665 14.299 ( -0.000 -0.224 -17.059) 17.061 14.698 ( 0.000 8.560 6.078) 10.498 ======================= Grid point 131 (99/135) ======================= q-point: ( 0.42 -0.31 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -5.354 12.302 3.007) 13.749 1.183 ( -3.346 8.965 15.245) 18.000 1.454 ( 0.354 -5.196 15.084) 15.958 1.500 ( -6.561 1.546 -1.577) 6.923 1.618 ( -1.479 1.963 1.522) 2.891 1.909 ( -3.008 5.735 1.676) 6.689 1.988 ( -1.461 -0.530 8.495) 8.636 2.250 ( 4.296 -4.145 0.906) 6.038 2.298 ( 4.900 -1.847 1.662) 5.494 2.527 ( 1.130 -0.379 -0.450) 1.274 2.793 ( 3.067 -2.350 2.201) 4.447 2.958 ( -8.548 1.681 -0.946) 8.763 3.135 ( -0.903 1.031 -0.708) 1.542 3.361 ( 2.238 -4.624 -2.609) 5.762 3.380 ( 2.995 -0.008 0.626) 3.060 4.508 ( 2.757 1.700 -6.998) 7.711 4.542 ( 0.300 -0.397 -5.769) 5.791 4.672 ( -4.733 1.096 -7.832) 9.217 7.327 ( -2.249 -15.566 17.627) 23.624 9.658 ( 2.708 6.970 -1.024) 7.548 10.086 ( -0.974 7.956 4.607) 9.245 10.363 ( 17.449 -2.632 -0.031) 17.646 10.381 ( 3.278 2.840 -8.571) 9.606 10.816 ( -3.628 -9.314 6.235) 11.781 11.576 ( 1.009 4.074 -0.426) 4.219 11.708 ( -14.373 1.400 -8.108) 16.562 11.738 ( -3.850 -1.710 -3.074) 5.215 12.197 ( 0.634 -1.267 8.245) 8.366 12.581 ( 2.020 2.217 4.989) 5.821 12.733 ( -4.605 -3.695 -3.918) 7.086 12.974 ( -4.359 -6.684 -2.433) 8.343 13.308 ( -1.136 -7.062 4.849) 8.641 13.515 ( 1.058 -7.090 7.515) 10.385 14.048 ( 7.742 16.905 -4.298) 19.084 14.571 ( 0.153 4.184 -3.537) 5.481 15.398 ( 4.284 -4.187 -11.502) 12.968 ======================= Grid point 135 (100/135) ======================= q-point: (-0.19 0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 9.337 0.000 0.000) 9.337 0.972 ( 11.975 0.000 0.000) 11.975 1.491 ( -2.953 -0.000 -0.000) 2.953 1.585 ( 3.734 0.000 0.000) 3.734 1.775 ( 5.624 0.000 0.000) 5.624 1.939 ( 8.032 0.000 0.000) 8.032 2.152 ( 6.303 0.000 0.000) 6.303 2.155 ( -2.595 -0.000 -0.000) 2.595 2.465 ( 9.825 0.000 0.000) 9.825 2.561 ( -4.747 -0.000 -0.000) 4.747 2.593 ( -10.028 -0.000 -0.000) 10.028 2.951 ( -0.092 -0.000 -0.000) 0.092 3.193 ( 3.481 0.000 0.000) 3.481 3.222 ( -7.988 -0.000 -0.000) 7.988 3.550 ( -3.847 -0.000 -0.000) 3.847 4.601 ( 1.010 0.000 0.000) 1.010 4.603 ( -0.627 -0.000 -0.000) 0.627 4.668 ( 1.931 0.000 0.000) 1.931 7.694 ( -16.096 -0.000 -0.000) 16.096 9.403 ( 10.820 0.000 0.000) 10.820 9.710 ( -13.114 -0.000 -0.000) 13.114 9.972 ( 7.265 0.000 0.000) 7.265 10.322 ( 4.738 0.000 0.000) 4.738 11.070 ( -10.259 -0.000 -0.000) 10.259 11.359 ( 2.931 0.000 0.000) 2.931 11.933 ( -2.936 -0.000 -0.000) 2.936 11.954 ( 4.268 0.000 0.000) 4.268 12.243 ( 6.497 0.000 0.000) 6.497 12.627 ( 1.477 0.000 0.000) 1.477 12.730 ( -3.404 -0.000 -0.000) 3.404 13.378 ( -1.354 -0.000 -0.000) 1.354 13.528 ( -4.232 -0.000 -0.000) 4.232 13.600 ( 0.310 0.000 0.000) 0.310 14.148 ( -15.568 -0.000 -0.000) 15.568 14.489 ( 5.113 0.000 0.000) 5.113 14.805 ( 8.931 0.000 0.000) 8.931 ======================= Grid point 136 (101/135) ======================= q-point: ( 0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 0.000 13.032 5.998) 14.346 1.343 ( 0.000 5.613 -1.960) 5.945 1.454 ( 0.000 6.112 9.638) 11.412 1.598 ( 0.000 1.861 0.820) 2.034 1.860 ( 0.000 -3.196 21.428) 21.665 1.976 ( 0.000 0.362 8.286) 8.293 2.173 ( 0.000 -1.192 8.341) 8.426 2.339 ( -0.000 -12.622 -0.313) 12.626 2.405 ( 0.000 5.563 12.083) 13.302 2.611 ( 0.000 4.537 1.497) 4.778 2.827 ( 0.000 1.049 1.414) 1.761 2.872 ( 0.000 -2.169 2.780) 3.526 3.096 ( -0.000 -2.282 -1.870) 2.950 3.313 ( -0.000 -4.637 -3.956) 6.095 3.430 ( 0.000 0.193 0.587) 0.618 4.341 ( -0.000 -0.821 -15.567) 15.588 4.362 ( -0.000 -0.490 -11.829) 11.840 4.420 ( -0.000 2.238 -10.127) 10.371 7.796 ( 0.000 -7.757 31.009) 31.964 9.703 ( 0.000 4.715 1.386) 4.915 10.126 ( 0.000 7.945 4.054) 8.919 10.239 ( -0.000 4.182 -10.431) 11.238 10.652 ( -0.000 -8.651 1.158) 8.728 10.875 ( 0.000 -3.455 5.818) 6.766 11.299 ( -0.000 -10.433 -22.590) 24.883 11.313 ( -0.000 3.303 -6.665) 7.438 11.874 ( 0.000 5.372 10.216) 11.542 12.327 ( -0.000 -6.791 2.464) 7.224 12.608 ( -0.000 -5.383 0.873) 5.454 12.752 ( 0.000 10.507 3.510) 11.078 12.946 ( 0.000 -0.372 6.564) 6.574 13.425 ( 0.000 -12.506 7.620) 14.645 13.683 ( 0.000 -6.549 6.825) 9.459 14.008 ( -0.000 13.722 -7.614) 15.693 14.495 ( -0.000 6.904 -3.645) 7.807 15.120 ( -0.000 -3.225 -19.491) 19.756 ======================= Grid point 140 (102/135) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 4.767 0.000 24.775) 25.230 1.232 ( 8.258 0.000 3.871) 9.120 1.553 ( -3.137 0.000 12.473) 12.861 1.627 ( 2.286 -0.000 -1.561) 2.769 1.930 ( -1.047 0.000 2.109) 2.354 1.961 ( -0.622 0.000 7.121) 7.148 2.090 ( -2.947 -0.000 -0.303) 2.962 2.325 ( 6.248 0.000 2.368) 6.682 2.340 ( -10.322 -0.000 -1.374) 10.413 2.483 ( -6.036 0.000 1.061) 6.128 2.719 ( 14.085 -0.000 -2.866) 14.374 2.916 ( 1.674 -0.000 -4.169) 4.492 3.038 ( -7.499 -0.000 -1.149) 7.587 3.311 ( 0.196 0.000 5.756) 5.759 3.425 ( -3.993 -0.000 -3.759) 5.484 4.521 ( -0.052 -0.000 -6.849) 6.849 4.589 ( 0.927 -0.000 -3.778) 3.891 4.635 ( 1.580 -0.000 -7.849) 8.006 7.507 ( -12.719 0.000 14.676) 19.421 9.534 ( -1.107 -0.000 -0.981) 1.479 9.543 ( 7.046 -0.000 -5.691) 9.057 10.156 ( 3.107 0.000 7.301) 7.934 10.437 ( 1.821 0.000 1.383) 2.287 10.919 ( -3.652 -0.000 -0.333) 3.667 11.347 ( 1.037 -0.000 -8.241) 8.306 11.832 ( -2.095 -0.000 -1.044) 2.340 12.042 ( -0.905 0.000 4.910) 4.993 12.437 ( 6.389 0.000 6.376) 9.027 12.688 ( 0.526 -0.000 -2.523) 2.577 12.690 ( 7.192 -0.000 -1.666) 7.382 13.300 ( -2.008 -0.000 -4.191) 4.648 13.319 ( -3.631 -0.000 -8.837) 9.554 13.659 ( 0.254 0.000 2.648) 2.661 13.762 ( -20.254 -0.000 0.204) 20.255 14.568 ( 4.189 -0.000 -2.123) 4.696 14.942 ( 7.183 -0.000 -4.406) 8.427 ======================= Grid point 144 (103/135) ======================= q-point: ( 0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.000 14.417 0.000) 14.417 0.707 ( 0.000 15.314 0.000) 15.314 1.417 ( 0.000 0.903 0.000) 0.903 1.419 ( 0.000 27.809 0.000) 27.809 1.447 ( -0.000 -6.650 -0.000) 6.650 1.529 ( 0.000 3.647 0.000) 3.647 1.936 ( -0.000 -2.816 -0.000) 2.816 2.241 ( 0.000 0.978 0.000) 0.978 2.481 ( 0.000 2.186 0.000) 2.186 2.648 ( -0.000 -10.727 -0.000) 10.727 2.820 ( 0.000 1.016 0.000) 1.016 2.870 ( -0.000 -2.296 -0.000) 2.296 3.062 ( 0.000 2.736 0.000) 2.736 3.417 ( -0.000 -1.682 -0.000) 1.682 3.541 ( -0.000 -6.277 -0.000) 6.277 4.613 ( 0.000 0.267 0.000) 0.267 4.614 ( -0.000 -0.728 -0.000) 0.728 4.628 ( 0.000 2.130 0.000) 2.130 7.578 ( -0.000 -23.792 -0.000) 23.792 9.473 ( 0.000 12.895 0.000) 12.895 9.809 ( 0.000 9.876 0.000) 9.876 10.335 ( 0.000 8.939 0.000) 8.939 10.766 ( -0.000 -7.322 -0.000) 7.322 11.003 ( -0.000 -7.182 -0.000) 7.182 11.416 ( 0.000 4.747 0.000) 4.747 11.463 ( -0.000 -7.177 -0.000) 7.177 11.948 ( 0.000 2.812 0.000) 2.812 11.991 ( -0.000 -1.662 -0.000) 1.662 12.735 ( -0.000 -5.691 -0.000) 5.691 12.805 ( -0.000 -7.463 -0.000) 7.463 13.071 ( -0.000 -5.046 -0.000) 5.046 13.332 ( -0.000 -3.931 -0.000) 3.931 13.553 ( -0.000 -5.343 -0.000) 5.343 13.799 ( 0.000 20.120 0.000) 20.120 14.467 ( 0.000 6.611 0.000) 6.611 15.722 ( -0.000 -5.578 -0.000) 5.578 ======================= Grid point 145 (104/135) ======================= q-point: (-0.20 0.42 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 3.283 0.000 2.440) 4.091 1.658 ( 2.296 0.000 0.962) 2.489 1.764 ( 1.250 0.000 26.946) 26.975 1.782 ( -3.788 0.000 14.000) 14.503 1.832 ( -6.379 0.000 1.818) 6.633 2.034 ( -3.014 0.000 2.418) 3.864 2.126 ( -10.420 0.000 2.506) 10.717 2.249 ( 4.005 0.000 13.407) 13.992 2.371 ( -3.395 0.000 0.873) 3.506 2.445 ( 1.310 0.000 1.097) 1.708 2.872 ( -4.284 -0.000 -3.788) 5.718 2.880 ( 8.177 -0.000 -3.389) 8.851 2.967 ( 7.284 0.000 -0.054) 7.285 3.270 ( -3.270 -0.000 -3.109) 4.512 3.359 ( -3.125 0.000 2.311) 3.887 4.334 ( 0.327 -0.000 -12.381) 12.385 4.406 ( -1.850 -0.000 -14.721) 14.837 4.498 ( 0.726 -0.000 -7.184) 7.220 7.800 ( -3.899 0.000 32.364) 32.598 9.519 ( 4.066 -0.000 -6.695) 7.833 9.627 ( 10.406 0.000 -0.250) 10.409 10.347 ( 2.236 0.000 3.370) 4.044 10.380 ( -4.066 -0.000 -4.779) 6.275 10.823 ( 0.597 -0.000 -9.247) 9.266 11.135 ( -6.477 -0.000 -0.945) 6.546 11.874 ( 0.880 0.000 5.488) 5.559 12.118 ( -0.550 0.000 4.079) 4.116 12.596 ( -2.733 -0.000 -6.096) 6.680 12.740 ( 7.082 0.000 4.526) 8.405 12.817 ( 1.966 0.000 2.814) 3.433 13.071 ( -11.147 -0.000 -3.633) 11.724 13.094 ( 3.239 -0.000 -8.995) 9.560 13.455 ( -8.593 0.000 3.193) 9.167 13.737 ( 6.629 -0.000 -1.694) 6.842 14.588 ( 2.542 -0.000 -2.585) 3.626 14.911 ( 3.498 -0.000 -10.367) 10.941 ======================= Grid point 150 (105/135) ======================= q-point: ( 0.79 -0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -5.797 -0.000 -3.317) 6.679 1.712 ( -3.869 -0.000 -2.305) 4.503 1.759 ( -7.637 -0.000 -0.658) 7.666 1.799 ( 3.171 0.000 7.154) 7.825 1.961 ( -5.733 -0.000 -1.924) 6.047 2.171 ( -1.656 0.000 13.722) 13.822 2.193 ( 0.673 0.000 10.542) 10.563 2.511 ( -2.128 0.000 9.431) 9.669 2.518 ( 3.997 0.000 10.609) 11.337 2.651 ( 5.410 0.000 17.578) 18.392 2.691 ( -1.864 -0.000 -7.044) 7.287 3.027 ( 6.824 0.000 1.055) 6.905 3.100 ( 2.374 0.000 3.295) 4.061 3.187 ( -2.740 0.000 1.414) 3.083 3.325 ( -0.969 0.000 0.309) 1.017 4.026 ( -3.898 -0.000 -16.215) 16.677 4.050 ( 0.512 -0.000 -17.338) 17.346 4.334 ( -0.787 -0.000 -9.618) 9.650 8.533 ( 1.425 0.000 41.986) 42.011 9.516 ( 6.665 -0.000 -4.248) 7.904 9.906 ( 18.348 -0.000 -6.149) 19.351 10.149 ( -7.740 -0.000 -1.567) 7.897 10.169 ( 1.405 -0.000 -24.315) 24.356 10.709 ( -4.015 0.000 3.975) 5.649 11.168 ( -3.273 0.000 12.274) 12.703 11.747 ( -10.444 -0.000 -13.869) 17.362 12.271 ( 2.195 0.000 8.576) 8.852 12.435 ( -2.846 0.000 3.268) 4.334 12.651 ( -7.558 -0.000 -3.955) 8.530 12.896 ( -4.967 0.000 3.240) 5.931 12.900 ( 6.521 -0.000 -4.697) 8.037 13.256 ( 10.896 0.000 1.012) 10.943 13.465 ( -0.281 0.000 5.690) 5.697 13.850 ( 7.610 -0.000 -3.339) 8.311 14.612 ( 2.401 0.000 1.036) 2.615 14.687 ( -0.595 -0.000 -15.037) 15.048 ======================= Grid point 155 (106/135) ======================= q-point: ( 0.59 -0.59 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.430 -4.623 -0.000) 5.756 1.313 ( -3.700 2.913 0.000) 4.709 1.380 ( 4.214 0.417 0.000) 4.235 1.616 ( -0.913 2.230 0.000) 2.409 1.826 ( -1.365 -0.547 -0.000) 1.471 1.849 ( -2.080 1.450 0.000) 2.536 2.066 ( -1.305 -1.679 -0.000) 2.127 2.083 ( -11.416 -0.079 -0.000) 11.416 2.392 ( -5.226 -3.016 -0.000) 6.034 2.471 ( 7.455 -0.667 0.000) 7.485 2.732 ( -3.538 12.426 0.000) 12.920 3.041 ( 8.454 -2.615 0.000) 8.850 3.083 ( 4.570 -1.547 0.000) 4.824 3.291 ( -3.625 -3.844 -0.000) 5.284 3.364 ( -3.353 1.137 -0.000) 3.540 4.553 ( 1.527 4.953 0.000) 5.183 4.587 ( -0.095 -0.111 -0.000) 0.146 4.871 ( -0.439 -6.244 -0.000) 6.260 7.142 ( -10.868 -7.594 -0.000) 13.258 9.511 ( 9.625 6.644 0.000) 11.695 9.692 ( 4.786 5.195 0.000) 7.064 10.178 ( -0.055 -6.962 -0.000) 6.962 10.500 ( 3.445 1.843 0.000) 3.907 10.786 ( -3.775 2.777 0.000) 4.686 11.607 ( 6.056 1.348 0.000) 6.204 11.816 ( -1.480 -1.267 -0.000) 1.948 11.925 ( -3.944 -3.138 -0.000) 5.040 12.421 ( 1.613 -0.399 0.000) 1.662 12.703 ( -3.135 5.189 0.000) 6.062 12.815 ( -0.743 -6.966 -0.000) 7.005 13.234 ( -17.230 1.262 -0.000) 17.277 13.299 ( -2.545 0.035 -0.000) 2.545 13.358 ( -2.739 -2.591 -0.000) 3.770 13.832 ( 10.706 0.535 0.000) 10.719 14.544 ( 4.465 7.552 0.000) 8.773 15.228 ( 4.301 -6.061 -0.000) 7.432 ======================= Grid point 157 (107/135) ======================= q-point: (-0.22 -0.34 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -9.222 -0.000 -6.440) 11.248 1.554 ( -2.688 -0.000 -6.771) 7.285 1.594 ( -4.037 -0.000 -1.941) 4.480 1.788 ( -3.816 -0.000 -5.479) 6.677 2.029 ( 2.718 0.000 7.385) 7.869 2.334 ( 5.487 0.000 2.118) 5.881 2.418 ( 1.951 0.000 8.906) 9.117 2.527 ( -1.372 -0.000 -3.240) 3.518 2.598 ( -5.876 0.000 5.241) 7.874 2.753 ( 0.950 0.000 1.716) 1.962 3.094 ( 4.608 0.000 9.676) 10.717 3.202 ( 1.250 0.000 8.536) 8.628 3.247 ( 2.729 0.000 6.491) 7.042 3.283 ( 1.023 0.000 12.694) 12.735 3.346 ( 1.082 0.000 2.212) 2.463 3.670 ( 0.093 -0.000 -21.969) 21.969 3.688 ( -4.344 -0.000 -4.433) 6.207 4.079 ( -2.788 -0.000 -12.316) 12.628 9.389 ( 5.302 0.000 31.657) 32.098 9.562 ( 6.508 -0.000 -17.223) 18.412 9.749 ( 2.517 -0.000 -8.883) 9.233 9.831 ( -7.075 -0.000 0.363) 7.084 10.342 ( 17.100 0.000 0.195) 17.101 10.705 ( -5.884 0.000 5.886) 8.323 11.145 ( -16.105 -0.000 -12.919) 20.646 11.382 ( 0.009 0.000 10.922) 10.922 12.318 ( -2.238 0.000 0.638) 2.327 12.425 ( -2.737 -0.000 -7.263) 7.761 12.641 ( 8.109 0.000 3.647) 8.891 12.922 ( -4.214 0.000 7.356) 8.477 12.925 ( 2.231 -0.000 -2.002) 2.997 13.399 ( 6.829 -0.000 -5.716) 8.906 13.632 ( 1.831 0.000 8.699) 8.890 13.891 ( 1.537 -0.000 -2.130) 2.627 14.334 ( -2.936 -0.000 -15.319) 15.598 14.753 ( 3.176 0.000 6.360) 7.109 ======================= Grid point 160 (108/135) ======================= q-point: ( 0.58 -0.47 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.408 -1.229 16.934) 16.984 1.335 ( -2.923 7.946 6.254) 10.526 1.425 ( -3.929 2.016 11.472) 12.293 1.629 ( -1.715 -1.935 0.020) 2.585 1.770 ( -8.581 3.466 0.252) 9.258 1.861 ( 4.035 -3.730 1.942) 5.828 2.007 ( -1.532 -3.827 9.072) 9.965 2.038 ( -1.047 -1.476 -0.527) 1.885 2.296 ( -2.191 -1.517 1.827) 3.231 2.561 ( 4.454 3.702 -3.951) 7.010 2.740 ( -0.058 4.931 4.153) 6.447 3.073 ( -4.483 -6.519 -1.093) 7.987 3.147 ( 4.310 0.612 -2.436) 4.988 3.259 ( -1.681 -0.439 -3.613) 4.009 3.321 ( 3.490 1.196 1.060) 3.838 4.513 ( 1.119 2.282 -7.027) 7.472 4.539 ( 0.617 1.926 -5.724) 6.071 4.739 ( -2.936 -3.797 -9.073) 10.265 7.177 ( -6.059 -7.651 22.316) 24.357 9.662 ( 7.146 4.374 -5.549) 10.049 9.896 ( 12.366 -0.097 4.625) 13.203 10.217 ( 2.897 -0.016 2.032) 3.538 10.462 ( -0.116 5.119 -6.958) 8.639 10.790 ( -5.758 -4.028 7.830) 10.521 11.509 ( 4.042 -1.943 -19.784) 20.286 11.767 ( -0.684 0.409 1.583) 1.772 11.939 ( -5.339 -2.982 6.850) 9.183 12.457 ( -15.177 8.932 -3.505) 17.955 12.605 ( 1.121 2.242 10.129) 10.435 12.754 ( -1.070 -0.927 0.322) 1.451 12.939 ( -7.406 -6.823 -0.482) 10.081 13.237 ( -2.264 -3.245 -0.244) 3.965 13.362 ( -0.064 -5.193 4.065) 6.595 14.074 ( 14.340 5.746 -5.537) 16.411 14.596 ( 3.203 5.228 -2.767) 6.727 15.236 ( 2.952 -4.604 -7.673) 9.423 ======================= Grid point 162 (109/135) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -0.000 -0.000 -8.345) 8.345 1.336 ( -0.000 -0.000 -12.102) 12.102 1.525 ( -0.000 -0.000 -1.451) 1.451 1.612 ( -0.000 -0.000 -6.696) 6.696 2.157 ( 0.000 0.000 3.298) 3.298 2.429 ( -0.000 -0.000 -2.545) 2.545 2.504 ( -0.000 -0.000 -1.856) 1.856 2.538 ( 0.000 0.000 3.994) 3.994 2.639 ( 0.000 0.000 7.567) 7.567 2.678 ( -0.000 -0.000 -7.330) 7.330 3.073 ( -0.000 -0.000 -11.899) 11.899 3.179 ( -0.000 -0.000 -27.513) 27.513 3.244 ( 0.000 0.000 4.363) 4.363 3.354 ( 0.000 0.000 1.366) 1.366 3.655 ( 0.000 0.000 19.322) 19.322 3.679 ( 0.000 0.000 20.671) 20.671 3.759 ( -0.000 -0.000 -14.784) 14.784 3.815 ( 0.000 0.000 16.557) 16.557 9.164 ( -0.000 -0.000 -21.346) 21.346 9.471 ( -0.000 -0.000 -12.106) 12.106 9.824 ( 0.000 0.000 2.608) 2.608 10.121 ( 0.000 0.000 10.841) 10.841 10.739 ( 0.000 0.000 16.168) 16.168 10.740 ( 0.000 0.000 5.636) 5.636 10.753 ( 0.000 0.000 4.855) 4.855 11.534 ( 0.000 0.000 2.882) 2.882 12.245 ( -0.000 -0.000 -8.206) 8.206 12.266 ( -0.000 -0.000 -3.329) 3.329 12.824 ( 0.000 0.000 2.457) 2.457 12.907 ( -0.000 -0.000 -2.448) 2.448 12.926 ( 0.000 0.000 0.510) 0.510 13.339 ( -0.000 -0.000 -7.447) 7.447 13.848 ( 0.000 0.000 9.973) 9.973 13.893 ( 0.000 0.000 2.779) 2.779 14.047 ( -0.000 -0.000 -8.239) 8.239 14.927 ( 0.000 0.000 6.308) 6.308 ======================= Grid point 165 (110/135) ======================= q-point: ( 0.57 -0.35 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -1.722 9.848 1.966) 10.189 1.448 ( -7.427 0.985 -2.025) 7.761 1.629 ( -1.728 1.671 5.556) 6.054 1.678 ( -3.606 4.978 10.387) 12.070 1.806 ( -0.505 -2.216 23.156) 23.267 1.976 ( 1.148 -1.626 2.747) 3.392 2.030 ( 2.521 -8.849 0.748) 9.232 2.195 ( -2.665 -1.106 11.858) 12.204 2.443 ( 5.702 2.520 6.788) 9.216 2.611 ( 4.904 4.074 2.122) 6.720 2.809 ( -0.570 -2.330 2.348) 3.357 2.948 ( -6.577 -2.323 1.810) 7.206 3.096 ( -2.048 1.424 -3.192) 4.051 3.208 ( 2.640 -2.706 -3.305) 5.022 3.396 ( 2.836 -0.448 -0.982) 3.034 4.315 ( 0.256 0.446 -16.017) 16.025 4.354 ( -0.207 -0.690 -12.328) 12.349 4.487 ( -1.858 0.610 -9.395) 9.596 7.713 ( -1.646 -2.616 38.127) 38.252 9.696 ( 4.709 0.856 -1.987) 5.182 10.208 ( 2.762 -3.101 -5.469) 6.867 10.310 ( -0.405 3.075 0.908) 3.232 10.357 ( 14.142 5.852 -3.574) 15.717 10.856 ( -4.565 -4.412 12.545) 14.060 11.069 ( 1.862 -8.096 -27.018) 28.266 11.630 ( -17.152 2.178 -8.163) 19.120 12.007 ( 1.381 6.986 12.695) 14.556 12.247 ( -3.466 -1.237 4.116) 5.521 12.557 ( -4.352 -3.853 0.299) 5.820 12.835 ( -2.230 -2.659 -1.175) 3.664 13.032 ( 4.841 9.087 11.445) 15.395 13.214 ( -1.143 -6.698 1.936) 7.065 13.506 ( 1.931 -8.412 7.276) 11.288 14.156 ( 8.019 7.506 -10.578) 15.249 14.589 ( 1.832 4.493 -2.547) 5.480 15.039 ( 0.456 -3.389 -15.679) 16.048 ======================= Grid point 170 (111/135) ======================= q-point: ( 0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -0.000 -2.588 -7.613) 8.041 1.409 ( 0.000 11.287 3.885) 11.937 1.605 ( -0.000 -0.407 -1.505) 1.560 1.768 ( 0.000 7.467 -0.581) 7.489 2.072 ( -0.000 -9.367 3.155) 9.885 2.146 ( 0.000 0.500 12.630) 12.640 2.272 ( 0.000 -2.010 16.665) 16.786 2.326 ( 0.000 1.602 6.543) 6.736 2.678 ( 0.000 -4.732 3.695) 6.004 2.730 ( 0.000 3.154 1.612) 3.541 2.924 ( 0.000 1.331 11.262) 11.341 2.937 ( 0.000 -1.387 8.955) 9.062 3.064 ( 0.000 0.073 5.558) 5.558 3.195 ( -0.000 -1.572 -0.759) 1.746 3.402 ( -0.000 -1.691 -1.144) 2.042 3.955 ( -0.000 -1.735 -18.694) 18.774 4.066 ( -0.000 -0.472 -17.129) 17.136 4.260 ( -0.000 3.295 -12.145) 12.584 8.526 ( 0.000 2.631 44.226) 44.304 9.763 ( 0.000 -0.554 1.547) 1.643 10.007 ( -0.000 -2.502 -12.081) 12.337 10.161 ( -0.000 -2.219 -17.101) 17.244 10.543 ( 0.000 2.260 -0.866) 2.420 10.769 ( -0.000 -6.428 -6.337) 9.026 11.008 ( 0.000 4.651 -0.492) 4.677 11.201 ( -0.000 -3.515 0.727) 3.589 12.234 ( 0.000 13.528 4.630) 14.298 12.282 ( 0.000 -2.710 2.725) 3.843 12.579 ( 0.000 -2.897 6.205) 6.848 12.784 ( -0.000 0.025 -1.136) 1.136 13.242 ( -0.000 -16.173 2.933) 16.437 13.314 ( 0.000 8.252 9.804) 12.815 13.650 ( 0.000 -7.090 3.662) 7.980 14.019 ( -0.000 5.406 -10.193) 11.538 14.608 ( 0.000 5.888 2.445) 6.376 14.674 ( -0.000 -1.321 -19.851) 19.895 ======================= Grid point 173 (112/135) ======================= q-point: ( 0.36 -0.36 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -6.752 12.392 0.000) 14.112 1.003 ( -2.345 10.114 0.000) 10.382 1.287 ( 0.543 -7.673 -0.000) 7.693 1.515 ( -6.171 2.233 0.000) 6.562 1.605 ( -1.083 2.301 0.000) 2.543 1.891 ( -1.860 -3.223 -0.000) 3.721 1.905 ( -4.373 11.239 0.000) 12.060 2.244 ( 4.295 -3.570 -0.000) 5.584 2.282 ( 6.020 -3.502 -0.000) 6.965 2.534 ( -0.161 -0.808 -0.000) 0.824 2.771 ( 4.247 -2.374 -0.000) 4.866 2.971 ( -9.387 0.791 -0.000) 9.420 3.138 ( -0.572 3.763 0.000) 3.806 3.364 ( 3.905 0.701 0.000) 3.967 3.397 ( 1.428 -5.868 -0.000) 6.039 4.577 ( 2.817 1.857 0.000) 3.374 4.598 ( 0.165 -0.569 -0.000) 0.592 4.754 ( -4.583 2.261 0.000) 5.110 7.149 ( -2.593 -19.404 -0.000) 19.577 9.671 ( 1.320 8.197 0.000) 8.303 10.037 ( 1.047 7.644 0.000) 7.715 10.350 ( 16.451 -5.078 0.000) 17.217 10.506 ( 1.003 7.364 0.000) 7.432 10.732 ( 0.255 -12.381 -0.000) 12.384 11.539 ( -0.936 6.146 0.000) 6.217 11.706 ( -15.650 1.309 -0.000) 15.705 11.949 ( 2.095 -0.730 -0.000) 2.219 12.036 ( -4.641 4.864 0.000) 6.723 12.537 ( 3.837 -3.632 -0.000) 5.283 12.787 ( -7.046 -7.737 -0.000) 10.465 13.008 ( -4.510 -8.034 -0.000) 9.213 13.253 ( -0.968 -4.051 -0.000) 4.165 13.424 ( 0.384 -6.208 -0.000) 6.220 14.093 ( 8.455 18.232 0.000) 20.097 14.608 ( -0.419 3.760 0.000) 3.783 15.517 ( 5.611 -5.557 -0.000) 7.897 ======================= Grid point 178 (113/135) ======================= q-point: ( 0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 13.583 3.786) 14.100 1.147 ( 0.000 10.366 14.589) 17.896 1.426 ( -0.000 1.497 -2.024) 2.517 1.459 ( 0.000 -5.486 15.090) 16.056 1.600 ( 0.000 1.633 1.272) 2.070 1.873 ( 0.000 8.343 2.550) 8.724 1.972 ( 0.000 -1.100 9.343) 9.407 2.293 ( 0.000 4.717 1.660) 5.001 2.346 ( -0.000 -13.528 -0.298) 13.531 2.588 ( 0.000 3.475 0.828) 3.572 2.823 ( -0.000 0.109 -0.639) 0.649 2.832 ( 0.000 -2.555 1.375) 2.902 3.124 ( -0.000 1.427 -0.757) 1.616 3.384 ( -0.000 -5.498 -2.847) 6.192 3.415 ( 0.000 1.047 0.794) 1.314 4.539 ( -0.000 -0.562 -6.115) 6.141 4.572 ( -0.000 1.092 -5.208) 5.322 4.592 ( -0.000 1.925 -9.343) 9.540 7.303 ( 0.000 -16.247 17.966) 24.222 9.687 ( 0.000 6.768 0.376) 6.779 10.052 ( 0.000 9.931 2.819) 10.323 10.428 ( -0.000 5.528 -7.905) 9.646 10.626 ( -0.000 -6.143 1.335) 6.286 10.770 ( -0.000 -11.773 3.900) 12.402 11.426 ( -0.000 5.153 -4.225) 6.663 11.652 ( 0.000 4.435 10.758) 11.636 11.697 ( -0.000 -4.676 -17.145) 17.771 12.212 ( 0.000 -2.722 9.434) 9.818 12.608 ( -0.000 -5.745 -0.560) 5.772 12.674 ( 0.000 4.025 1.575) 4.322 12.924 ( -0.000 -4.712 -1.873) 5.070 13.295 ( 0.000 -7.327 5.052) 8.900 13.526 ( 0.000 -7.331 8.105) 10.929 14.140 ( 0.000 17.046 -5.149) 17.806 14.563 ( -0.000 5.709 -2.830) 6.372 15.450 ( -0.000 -5.807 -12.925) 14.169 ======================= Grid point 182 (114/135) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 6.622 0.000 0.000) 6.622 1.193 ( 9.155 0.000 0.000) 9.155 1.422 ( -3.557 -0.000 -0.000) 3.557 1.647 ( 2.003 0.000 0.000) 2.003 1.854 ( 2.014 0.000 0.000) 2.014 1.935 ( -5.082 -0.000 -0.000) 5.082 2.093 ( -2.871 -0.000 -0.000) 2.871 2.304 ( 7.678 0.000 0.000) 7.678 2.355 ( -12.292 -0.000 -0.000) 12.292 2.471 ( -4.267 -0.000 -0.000) 4.267 2.747 ( 13.818 0.000 0.000) 13.818 2.978 ( 2.743 0.000 0.000) 2.743 3.048 ( -7.759 -0.000 -0.000) 7.759 3.235 ( 0.427 0.000 0.000) 0.427 3.465 ( -4.124 -0.000 -0.000) 4.124 4.592 ( -0.425 -0.000 -0.000) 0.425 4.624 ( 1.100 0.000 0.000) 1.100 4.716 ( 2.459 0.000 0.000) 2.459 7.358 ( -15.346 -0.000 -0.000) 15.346 9.543 ( -2.392 -0.000 -0.000) 2.392 9.611 ( 8.402 0.000 0.000) 8.402 10.070 ( 1.872 0.000 0.000) 1.872 10.423 ( 4.756 0.000 0.000) 4.756 10.910 ( -5.101 -0.000 -0.000) 5.101 11.455 ( 6.261 0.000 0.000) 6.261 11.869 ( -3.123 -0.000 -0.000) 3.123 11.965 ( -2.444 -0.000 -0.000) 2.444 12.358 ( 3.982 0.000 0.000) 3.982 12.706 ( 4.713 0.000 0.000) 4.713 12.715 ( 1.288 0.000 0.000) 1.288 13.345 ( -1.668 -0.000 -0.000) 1.668 13.429 ( -5.045 -0.000 -0.000) 5.045 13.614 ( 3.110 0.000 0.000) 3.110 13.758 ( -21.066 -0.000 -0.000) 21.066 14.590 ( 4.209 0.000 0.000) 4.209 14.987 ( 8.068 0.000 0.000) 8.068 ======================= Grid point 187 (115/135) ======================= q-point: (-0.26 0.37 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( 2.633 0.000 22.661) 22.813 1.388 ( 6.550 0.000 1.946) 6.833 1.486 ( -2.910 0.000 12.694) 13.023 1.647 ( -1.292 -0.000 0.196) 1.307 1.820 ( -4.550 -0.000 0.107) 4.551 1.984 ( -0.038 0.000 10.955) 10.955 2.030 ( -3.625 -0.000 -0.833) 3.719 2.098 ( -10.830 -0.000 1.075) 10.883 2.363 ( -5.599 -0.000 0.157) 5.601 2.458 ( 6.374 0.000 -0.674) 6.410 2.916 ( -3.887 -0.000 -0.923) 3.995 2.965 ( 2.964 -0.000 -1.589) 3.363 2.984 ( 9.561 -0.000 -4.612) 10.615 3.296 ( -0.686 0.000 4.024) 4.082 3.342 ( -3.841 -0.000 -3.455) 5.166 4.521 ( 0.027 -0.000 -6.497) 6.497 4.607 ( 0.697 -0.000 -3.776) 3.840 4.657 ( 0.451 -0.000 -9.983) 9.993 7.269 ( -9.732 0.000 20.128) 22.358 9.617 ( 8.812 0.000 0.729) 8.842 9.657 ( 3.893 -0.000 -6.956) 7.971 10.192 ( 0.882 0.000 9.169) 9.211 10.480 ( 2.149 -0.000 -4.107) 4.635 10.851 ( -3.621 0.000 2.554) 4.431 11.396 ( 3.460 -0.000 -18.142) 18.469 11.788 ( -1.690 0.000 1.548) 2.292 11.996 ( -3.126 0.000 7.400) 8.033 12.565 ( 5.321 0.000 11.351) 12.536 12.711 ( 0.601 -0.000 -4.210) 4.252 12.763 ( -0.892 0.000 1.740) 1.956 13.171 ( -14.953 -0.000 -6.071) 16.138 13.260 ( -2.306 -0.000 -6.179) 6.595 13.386 ( -9.754 0.000 3.975) 10.532 13.780 ( 12.230 -0.000 -2.242) 12.434 14.638 ( 2.414 -0.000 -2.143) 3.227 15.077 ( 5.530 -0.000 -6.068) 8.210 ======================= Grid point 192 (116/135) ======================= q-point: ( 0.74 -0.51 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.953 -0.000 -3.314) 3.448 1.640 ( -4.728 0.000 6.429) 7.981 1.693 ( -4.391 0.000 10.947) 11.795 1.763 ( 0.426 0.000 9.718) 9.727 1.792 ( 2.346 0.000 14.440) 14.629 1.881 ( -9.204 0.000 7.270) 11.729 2.013 ( -1.456 -0.000 -0.286) 1.484 2.253 ( -2.465 0.000 17.042) 17.219 2.359 ( 2.531 0.000 5.745) 6.278 2.536 ( 6.294 -0.000 -2.714) 6.854 2.812 ( -1.893 -0.000 -4.292) 4.691 2.984 ( 0.738 0.000 2.479) 2.586 3.099 ( 4.609 -0.000 -2.048) 5.044 3.197 ( -3.696 -0.000 -2.451) 4.435 3.329 ( 1.351 -0.000 -0.448) 1.423 4.341 ( 0.307 -0.000 -12.093) 12.097 4.360 ( -2.241 -0.000 -16.770) 16.919 4.504 ( -0.175 -0.000 -7.339) 7.341 7.732 ( -2.601 0.000 37.924) 38.014 9.607 ( 4.390 -0.000 -5.178) 6.789 9.918 ( 15.974 0.000 2.056) 16.106 10.320 ( -1.039 -0.000 -11.968) 12.013 10.373 ( 0.027 0.000 4.397) 4.397 10.836 ( -0.045 -0.000 -4.077) 4.077 11.014 ( -4.288 -0.000 -10.282) 11.140 11.869 ( -3.010 0.000 2.537) 3.936 12.087 ( -1.876 0.000 9.158) 9.348 12.445 ( -11.562 -0.000 -5.785) 12.929 12.653 ( -7.723 0.000 1.895) 7.952 12.859 ( -5.623 0.000 0.917) 5.698 12.969 ( 7.351 0.000 2.816) 7.872 13.189 ( 3.898 0.000 2.561) 4.665 13.368 ( -1.533 0.000 4.151) 4.425 13.969 ( 13.685 -0.000 -8.011) 15.857 14.626 ( 1.224 -0.000 -2.089) 2.421 14.969 ( 1.937 -0.000 -12.909) 13.053 ======================= Grid point 198 (117/135) ======================= q-point: ( 0.73 -0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -6.143 -0.000 -7.169) 9.441 1.621 ( -4.761 -0.000 -0.823) 4.831 1.622 ( -3.319 -0.000 0.350) 3.338 1.875 ( -2.617 -0.000 -2.399) 3.550 1.893 ( 4.166 0.000 5.194) 6.658 2.156 ( -0.233 0.000 15.628) 15.630 2.218 ( 1.829 0.000 13.963) 14.083 2.430 ( -4.379 0.000 9.829) 10.761 2.585 ( 1.619 0.000 2.488) 2.968 2.708 ( 3.381 -0.000 -1.680) 3.775 2.791 ( 6.810 0.000 13.514) 15.133 3.055 ( -4.901 0.000 9.226) 10.447 3.117 ( -3.620 0.000 3.959) 5.364 3.142 ( 3.561 0.000 -0.208) 3.567 3.354 ( 2.367 -0.000 -1.469) 2.785 3.960 ( -2.197 -0.000 -17.947) 18.081 4.058 ( 0.257 -0.000 -17.243) 17.244 4.310 ( -1.166 -0.000 -10.768) 10.831 8.553 ( 0.546 0.000 45.427) 45.431 9.666 ( 6.814 -0.000 -1.380) 6.952 10.007 ( -4.086 -0.000 -10.744) 11.495 10.172 ( -1.239 -0.000 -22.841) 22.874 10.348 ( 20.953 0.000 -1.655) 21.018 10.635 ( -2.623 -0.000 -1.583) 3.064 11.114 ( -1.768 0.000 15.363) 15.464 11.423 ( -18.596 -0.000 -13.944) 23.243 12.267 ( -1.322 0.000 4.496) 4.686 12.465 ( 3.964 0.000 13.819) 14.376 12.509 ( -5.128 -0.000 -1.518) 5.348 12.818 ( -2.840 0.000 2.273) 3.638 12.999 ( 2.883 -0.000 -4.592) 5.422 13.437 ( 5.862 0.000 3.149) 6.654 13.472 ( 0.574 0.000 7.219) 7.241 14.006 ( 6.151 -0.000 -9.452) 11.277 14.654 ( 1.454 0.000 2.977) 3.313 14.670 ( -0.773 -0.000 -17.684) 17.701 ======================= Grid point 203 (118/135) ======================= q-point: ( 0.52 -0.52 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 1.696 -3.779 -0.000) 4.142 1.237 ( -3.427 2.495 0.000) 4.239 1.353 ( -5.447 9.390 0.000) 10.855 1.631 ( 1.188 -1.730 -0.000) 2.099 1.744 ( -8.064 3.862 0.000) 8.941 1.881 ( 6.264 -5.333 -0.000) 8.226 1.895 ( -5.359 -3.136 -0.000) 6.209 2.044 ( -0.835 -1.733 -0.000) 1.924 2.279 ( -3.468 -2.050 -0.000) 4.028 2.619 ( 6.351 -1.091 0.000) 6.444 2.681 ( -2.072 11.022 0.000) 11.215 3.084 ( -5.303 -6.749 -0.000) 8.583 3.177 ( 3.763 0.212 0.000) 3.769 3.299 ( 5.309 2.779 0.000) 5.992 3.303 ( -2.043 -0.780 -0.000) 2.186 4.587 ( 0.070 -0.235 -0.000) 0.245 4.589 ( 1.735 4.191 0.000) 4.536 4.840 ( -2.264 -2.674 -0.000) 3.503 6.946 ( -7.602 -10.233 -0.000) 12.748 9.764 ( 2.165 4.566 0.000) 5.054 9.803 ( 16.843 3.374 0.000) 17.178 10.187 ( 1.368 -5.968 -0.000) 6.122 10.571 ( 3.170 3.466 0.000) 4.697 10.682 ( -6.092 0.774 -0.000) 6.141 11.677 ( -0.087 5.087 0.000) 5.087 11.841 ( -4.196 -3.246 -0.000) 5.305 11.846 ( 4.624 -2.410 -0.000) 5.214 12.447 ( 1.016 -0.918 -0.000) 1.369 12.495 ( -16.019 10.299 0.000) 19.044 12.769 ( -4.385 -5.171 -0.000) 6.780 12.944 ( -7.616 -7.902 -0.000) 10.975 13.235 ( -3.113 -1.509 -0.000) 3.460 13.321 ( -1.033 -3.841 -0.000) 3.977 14.132 ( 15.383 6.892 0.000) 16.857 14.626 ( 3.082 4.441 0.000) 5.406 15.313 ( 3.818 -4.979 -0.000) 6.274 ======================= Grid point 205 (119/135) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.000 -0.000 -8.626) 8.626 1.524 ( -0.000 -0.000 -6.698) 6.698 1.551 ( -0.000 -0.000 -1.133) 1.133 1.747 ( -0.000 -0.000 -6.536) 6.536 2.060 ( 0.000 0.000 6.216) 6.216 2.438 ( 0.000 0.000 10.779) 10.779 2.462 ( 0.000 0.000 5.020) 5.020 2.467 ( 0.000 0.000 3.894) 3.894 2.513 ( -0.000 -0.000 -3.453) 3.453 2.765 ( -0.000 -0.000 -1.826) 1.826 3.147 ( 0.000 0.000 7.525) 7.525 3.208 ( 0.000 0.000 6.727) 6.727 3.286 ( 0.000 0.000 15.542) 15.542 3.296 ( 0.000 0.000 16.122) 16.122 3.353 ( -0.000 -0.000 -1.032) 1.032 3.640 ( -0.000 -0.000 -6.286) 6.286 3.671 ( -0.000 -0.000 -22.353) 22.353 4.046 ( -0.000 -0.000 -13.915) 13.915 9.470 ( 0.000 0.000 44.314) 44.314 9.637 ( -0.000 -0.000 -26.248) 26.248 9.718 ( -0.000 -0.000 -12.719) 12.719 9.780 ( 0.000 0.000 1.865) 1.865 10.636 ( 0.000 0.000 4.526) 4.526 10.686 ( 0.000 0.000 1.915) 1.915 10.823 ( -0.000 -0.000 -14.059) 14.059 11.381 ( 0.000 0.000 11.912) 11.912 12.295 ( 0.000 0.000 0.442) 0.442 12.391 ( -0.000 -0.000 -5.487) 5.487 12.788 ( 0.000 0.000 1.052) 1.052 12.820 ( 0.000 0.000 10.845) 10.845 12.952 ( -0.000 -0.000 -3.158) 3.158 13.473 ( -0.000 -0.000 -5.233) 5.233 13.653 ( 0.000 0.000 9.590) 9.590 13.907 ( -0.000 -0.000 -4.613) 4.613 14.301 ( -0.000 -0.000 -16.763) 16.763 14.788 ( 0.000 0.000 7.321) 7.321 ======================= Grid point 208 (120/135) ======================= q-point: ( 0.52 -0.41 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -3.353 10.361 4.000) 11.601 1.305 ( -1.216 2.946 15.125) 15.458 1.366 ( -1.096 -1.903 16.642) 16.786 1.540 ( -5.447 1.766 -2.816) 6.381 1.646 ( -2.834 0.606 0.998) 3.066 1.907 ( -0.283 -2.032 6.921) 7.219 2.009 ( -0.343 -0.613 1.781) 1.914 2.037 ( 2.147 -9.828 0.604) 10.078 2.344 ( 5.757 2.026 3.438) 7.005 2.616 ( 1.182 6.778 -1.364) 7.014 2.755 ( 1.473 -0.969 2.412) 2.988 2.932 ( -7.803 -3.824 0.215) 8.692 3.173 ( -0.847 2.429 -3.526) 4.365 3.270 ( 1.912 -3.347 -2.666) 4.687 3.407 ( 3.392 1.382 -0.099) 3.664 4.527 ( 0.281 -0.120 -6.289) 6.297 4.564 ( 1.620 2.694 -6.673) 7.376 4.673 ( -3.079 -1.069 -9.849) 10.374 7.081 ( -3.063 -8.289 24.442) 25.990 9.750 ( 2.335 2.322 -3.191) 4.585 10.190 ( 8.925 1.839 4.583) 10.200 10.278 ( 5.485 -1.984 0.082) 5.833 10.506 ( 5.422 5.352 -6.336) 9.909 10.660 ( -5.886 -5.119 6.237) 9.988 11.585 ( 2.791 -1.698 -21.511) 21.758 11.730 ( -10.419 0.347 -4.001) 11.167 11.774 ( -3.208 3.296 8.784) 9.915 12.187 ( -7.428 1.076 1.969) 7.760 12.551 ( -4.010 -4.036 1.477) 5.878 12.779 ( 2.257 5.794 12.657) 14.102 12.859 ( -1.605 -3.997 -1.034) 4.429 13.190 ( -1.885 -4.328 0.856) 4.798 13.366 ( 0.276 -6.925 5.764) 9.015 14.338 ( 9.455 10.566 -7.040) 15.831 14.644 ( 1.274 3.090 -2.480) 4.162 15.292 ( 2.266 -5.368 -9.346) 11.013 ======================= Grid point 213 (121/135) ======================= q-point: ( 0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 12.779 5.511) 13.917 1.353 ( -0.000 -0.962 -5.943) 6.021 1.617 ( -0.000 -0.224 0.066) 0.234 1.633 ( 0.000 7.109 14.813) 16.431 1.801 ( 0.000 -2.467 23.458) 23.587 1.979 ( 0.000 0.387 2.397) 2.428 2.080 ( -0.000 -11.824 1.494) 11.918 2.155 ( 0.000 -0.557 11.365) 11.378 2.518 ( 0.000 5.064 7.582) 9.118 2.692 ( 0.000 2.947 2.177) 3.664 2.813 ( 0.000 -2.296 2.331) 3.272 2.829 ( 0.000 -1.742 3.232) 3.672 3.071 ( -0.000 -0.137 -4.219) 4.221 3.237 ( -0.000 -2.574 -3.010) 3.961 3.428 ( -0.000 -0.320 -1.247) 1.287 4.318 ( -0.000 -1.191 -17.608) 17.648 4.352 ( -0.000 -0.366 -11.857) 11.862 4.466 ( -0.000 1.890 -8.622) 8.827 7.696 ( 0.000 -2.455 38.883) 38.961 9.752 ( -0.000 0.583 -0.392) 0.703 10.221 ( -0.000 -1.918 -8.415) 8.631 10.277 ( 0.000 3.242 -0.411) 3.267 10.612 ( -0.000 4.011 -2.873) 4.934 10.799 ( 0.000 -3.281 13.870) 14.253 11.101 ( -0.000 -8.648 -25.277) 26.715 11.367 ( -0.000 2.096 -10.113) 10.328 12.035 ( 0.000 8.551 14.153) 16.535 12.209 ( 0.000 -4.453 4.398) 6.258 12.508 ( -0.000 -4.132 1.212) 4.306 12.813 ( -0.000 -1.320 -1.668) 2.127 13.090 ( 0.000 11.542 12.786) 17.225 13.195 ( -0.000 -9.362 1.833) 9.540 13.527 ( 0.000 -8.729 8.305) 12.048 14.245 ( -0.000 8.896 -11.727) 14.719 14.607 ( -0.000 3.909 -1.906) 4.349 15.045 ( -0.000 -3.559 -17.053) 17.420 ======================= Grid point 221 (122/135) ======================= q-point: ( 0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.000 13.967 0.000) 13.967 0.977 ( 0.000 10.759 0.000) 10.759 1.293 ( -0.000 -7.996 -0.000) 7.996 1.446 ( 0.000 2.103 0.000) 2.103 1.592 ( 0.000 2.296 0.000) 2.296 1.855 ( 0.000 14.064 0.000) 14.064 1.872 ( -0.000 -3.391 -0.000) 3.391 2.281 ( 0.000 3.704 0.000) 3.704 2.349 ( -0.000 -13.773 -0.000) 13.773 2.580 ( 0.000 2.993 0.000) 2.993 2.818 ( -0.000 -2.632 -0.000) 2.632 2.833 ( -0.000 -0.125 -0.000) 0.125 3.129 ( 0.000 3.712 0.000) 3.712 3.406 ( 0.000 0.921 0.000) 0.921 3.413 ( -0.000 -5.821 -0.000) 5.821 4.600 ( -0.000 -0.618 -0.000) 0.618 4.624 ( 0.000 0.714 0.000) 0.714 4.687 ( 0.000 3.585 0.000) 3.585 7.121 ( -0.000 -20.248 -0.000) 20.248 9.684 ( 0.000 7.838 0.000) 7.838 10.023 ( 0.000 10.485 0.000) 10.485 10.517 ( 0.000 8.246 0.000) 8.246 10.606 ( -0.000 -7.842 -0.000) 7.842 10.733 ( -0.000 -15.934 -0.000) 15.934 11.470 ( 0.000 5.089 0.000) 5.089 11.528 ( 0.000 5.916 0.000) 5.916 11.972 ( 0.000 0.048 0.000) 0.048 12.000 ( 0.000 2.021 0.000) 2.021 12.616 ( -0.000 -5.893 -0.000) 5.893 12.673 ( -0.000 -5.309 -0.000) 5.309 12.956 ( -0.000 -5.750 -0.000) 5.750 13.243 ( -0.000 -4.535 -0.000) 4.535 13.428 ( -0.000 -6.589 -0.000) 6.589 14.193 ( 0.000 18.166 0.000) 18.166 14.593 ( 0.000 5.408 0.000) 5.408 15.585 ( -0.000 -7.705 -0.000) 7.705 ======================= Grid point 230 (123/135) ======================= q-point: (-0.31 0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 3.774 0.000 0.000) 3.774 1.344 ( -3.769 -0.000 -0.000) 3.769 1.376 ( 8.560 0.000 0.000) 8.560 1.647 ( -3.210 -0.000 -0.000) 3.210 1.824 ( -3.239 -0.000 -0.000) 3.239 1.865 ( -0.823 -0.000 -0.000) 0.823 2.043 ( -1.809 -0.000 -0.000) 1.809 2.084 ( -13.077 -0.000 -0.000) 13.077 2.361 ( -6.031 -0.000 -0.000) 6.031 2.464 ( 7.324 0.000 0.000) 7.324 2.923 ( -3.959 -0.000 -0.000) 3.959 2.971 ( 5.696 0.000 0.000) 5.696 3.063 ( 5.011 0.000 0.000) 5.011 3.235 ( 1.237 0.000 0.000) 1.237 3.379 ( -3.884 -0.000 -0.000) 3.884 4.586 ( -0.166 -0.000 -0.000) 0.166 4.644 ( 0.770 0.000 0.000) 0.770 4.763 ( 1.823 0.000 0.000) 1.823 7.061 ( -12.499 -0.000 -0.000) 12.499 9.609 ( 8.343 0.000 0.000) 8.343 9.748 ( 4.563 0.000 0.000) 4.563 10.075 ( -0.454 -0.000 -0.000) 0.454 10.521 ( 4.476 0.000 0.000) 4.476 10.822 ( -4.239 -0.000 -0.000) 4.239 11.618 ( 8.818 0.000 0.000) 8.818 11.804 ( -2.990 -0.000 -0.000) 2.990 11.889 ( -4.127 -0.000 -0.000) 4.127 12.415 ( 1.680 0.000 0.000) 1.680 12.747 ( -1.693 -0.000 -0.000) 1.693 12.751 ( 1.395 0.000 0.000) 1.395 13.273 ( -24.337 -0.000 -0.000) 24.337 13.310 ( -1.667 -0.000 -0.000) 1.667 13.321 ( -5.088 -0.000 -0.000) 5.088 13.806 ( 15.183 0.000 0.000) 15.183 14.661 ( 2.434 0.000 0.000) 2.434 15.139 ( 6.213 0.000 0.000) 6.213 ======================= Grid point 235 (124/135) ======================= q-point: ( 0.68 -0.57 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 219 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 1.019 0.000 21.087) 21.111 1.408 ( -2.996 0.000 13.117) 13.454 1.520 ( 3.567 -0.000 -2.146) 4.162 1.554 ( -5.968 0.000 3.378) 6.858 1.801 ( 1.895 -0.000 -1.033) 2.158 1.827 ( -10.842 -0.000 0.862) 10.876 1.960 ( -1.821 0.000 11.454) 11.598 2.020 ( -0.656 -0.000 -0.105) 0.664 2.280 ( -0.784 0.000 2.459) 2.581 2.590 ( 5.860 -0.000 -1.925) 6.168 2.855 ( -2.615 -0.000 -0.667) 2.699 2.958 ( -3.507 -0.000 0.248) 3.516 3.145 ( 5.461 -0.000 -2.261) 5.911 3.265 ( -3.305 -0.000 -3.572) 4.867 3.332 ( 4.147 0.000 0.172) 4.150 4.522 ( 0.115 -0.000 -6.257) 6.258 4.615 ( 0.032 -0.000 -3.878) 3.879 4.656 ( -0.484 -0.000 -12.298) 12.308 7.098 ( -6.456 0.000 24.723) 25.552 9.722 ( 2.543 -0.000 -6.304) 6.797 9.883 ( 15.443 0.000 1.258) 15.494 10.210 ( 1.148 0.000 9.652) 9.720 10.528 ( 2.464 -0.000 -7.969) 8.341 10.744 ( -6.691 0.000 4.408) 8.012 11.482 ( 4.347 -0.000 -25.337) 25.707 11.767 ( -0.293 0.000 4.261) 4.271 11.914 ( -4.823 0.000 8.270) 9.574 12.591 ( -3.842 0.000 5.885) 7.028 12.594 ( -16.731 -0.000 -6.955) 18.119 12.768 ( 3.775 0.000 11.932) 12.515 12.849 ( -6.030 -0.000 0.231) 6.034 13.203 ( -3.017 -0.000 -1.721) 3.474 13.303 ( -1.637 0.000 2.431) 2.931 14.122 ( 17.765 -0.000 -6.410) 18.886 14.673 ( 1.000 -0.000 -2.132) 2.355 15.173 ( 3.471 -0.000 -7.356) 8.134 ======================= Grid point 241 (125/135) ======================= q-point: ( 0.67 -0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -4.309 -0.000 -6.295) 7.628 1.544 ( -3.462 0.000 6.386) 7.264 1.615 ( -2.832 0.000 3.220) 4.288 1.740 ( -3.886 0.000 13.822) 14.358 1.768 ( -0.011 0.000 20.867) 20.867 1.875 ( 4.482 0.000 4.442) 6.310 1.994 ( -0.579 -0.000 -0.301) 0.653 2.190 ( -2.981 0.000 14.929) 15.224 2.470 ( 7.125 0.000 6.436) 9.602 2.669 ( 5.918 0.000 0.240) 5.923 2.772 ( -2.359 -0.000 -1.912) 3.036 2.916 ( -5.509 0.000 4.879) 7.359 3.117 ( -3.492 -0.000 -3.449) 4.908 3.179 ( 2.894 -0.000 -2.805) 4.030 3.389 ( 2.955 -0.000 -1.873) 3.499 4.319 ( -1.426 -0.000 -17.971) 18.028 4.346 ( 0.186 -0.000 -11.933) 11.934 4.494 ( -0.576 -0.000 -7.736) 7.758 7.689 ( -1.390 0.000 40.988) 41.012 9.701 ( 4.170 -0.000 -2.564) 4.895 10.162 ( 3.541 -0.000 -4.343) 5.604 10.349 ( -1.967 0.000 2.102) 2.879 10.441 ( 14.742 -0.000 -7.785) 16.671 10.798 ( -2.799 0.000 12.661) 12.967 10.981 ( 0.496 -0.000 -26.749) 26.753 11.650 ( -16.633 -0.000 -8.063) 18.484 12.088 ( 2.106 0.000 14.883) 15.032 12.243 ( -6.096 0.000 4.968) 7.864 12.513 ( -4.904 -0.000 0.562) 4.936 12.805 ( -0.974 -0.000 -0.258) 1.008 13.068 ( 2.268 -0.000 -1.321) 2.625 13.263 ( 3.130 0.000 13.239) 13.604 13.352 ( -0.274 0.000 4.911) 4.919 14.233 ( 9.822 -0.000 -12.426) 15.840 14.643 ( 0.463 -0.000 -1.491) 1.561 14.996 ( 0.707 -0.000 -14.651) 14.668 ======================= Grid point 247 (126/135) ======================= q-point: ( 0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -0.000 -0.000 -8.601) 8.601 1.570 ( -0.000 -0.000 -0.783) 0.783 1.586 ( 0.000 0.000 0.699) 0.699 1.847 ( -0.000 -0.000 -2.627) 2.627 1.942 ( 0.000 0.000 4.921) 4.921 2.154 ( 0.000 0.000 16.083) 16.083 2.254 ( 0.000 0.000 17.481) 17.481 2.365 ( 0.000 0.000 7.218) 7.218 2.598 ( -0.000 -0.000 -2.809) 2.809 2.765 ( 0.000 0.000 1.451) 1.451 2.919 ( 0.000 0.000 9.241) 9.241 2.942 ( 0.000 0.000 13.801) 13.801 3.066 ( 0.000 0.000 5.901) 5.901 3.180 ( 0.000 0.000 0.110) 0.110 3.383 ( -0.000 -0.000 -1.891) 1.891 3.936 ( -0.000 -0.000 -18.498) 18.498 4.061 ( -0.000 -0.000 -17.242) 17.242 4.296 ( -0.000 -0.000 -11.315) 11.315 8.558 ( 0.000 0.000 46.699) 46.699 9.752 ( 0.000 0.000 0.840) 0.840 9.963 ( -0.000 -0.000 -11.904) 11.904 10.146 ( -0.000 -0.000 -21.680) 21.680 10.607 ( -0.000 -0.000 -5.008) 5.008 10.672 ( -0.000 -0.000 -0.298) 0.298 11.095 ( 0.000 0.000 16.371) 16.371 11.122 ( -0.000 -0.000 -15.053) 15.053 12.252 ( 0.000 0.000 3.740) 3.740 12.452 ( -0.000 -0.000 -1.195) 1.195 12.520 ( 0.000 0.000 18.411) 18.411 12.782 ( -0.000 -0.000 -0.318) 0.318 13.029 ( -0.000 -0.000 -3.856) 3.856 13.480 ( 0.000 0.000 7.817) 7.817 13.499 ( 0.000 0.000 3.856) 3.856 14.076 ( -0.000 -0.000 -12.001) 12.001 14.661 ( -0.000 -0.000 -18.703) 18.703 14.670 ( 0.000 0.000 3.849) 3.849 ======================= Grid point 252 (127/135) ======================= q-point: ( 0.46 -0.46 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.826 -2.177 -0.000) 2.329 1.174 ( -2.363 0.990 0.000) 2.562 1.235 ( -4.616 11.766 0.000) 12.639 1.575 ( -6.469 3.328 0.000) 7.275 1.629 ( -0.956 -0.243 -0.000) 0.986 1.825 ( -1.996 -3.032 -0.000) 3.630 1.999 ( 2.049 -3.397 -0.000) 3.967 2.037 ( 1.366 -6.792 -0.000) 6.928 2.309 ( 5.817 1.364 0.000) 5.975 2.634 ( -1.709 8.140 0.000) 8.317 2.729 ( 3.767 -1.590 -0.000) 4.089 2.931 ( -8.026 -4.247 -0.000) 9.080 3.211 ( -0.408 3.031 0.000) 3.058 3.299 ( 1.353 -3.488 -0.000) 3.741 3.405 ( 3.785 2.500 0.000) 4.536 4.589 ( 0.090 -0.315 -0.000) 0.328 4.623 ( 1.345 2.296 0.000) 2.661 4.789 ( -2.195 1.063 0.000) 2.439 6.825 ( -3.833 -11.599 -0.000) 12.216 9.792 ( 0.648 3.769 0.000) 3.825 10.129 ( 9.576 1.666 0.000) 9.720 10.279 ( 9.894 -2.879 0.000) 10.304 10.544 ( -6.206 -4.769 -0.000) 7.827 10.628 ( 2.030 4.285 0.000) 4.742 11.653 ( -1.268 4.471 0.000) 4.647 11.721 ( -7.959 0.141 -0.000) 7.960 11.948 ( 3.942 0.479 0.000) 3.971 12.150 ( -12.600 5.755 0.000) 13.852 12.477 ( 1.668 -2.268 -0.000) 2.815 12.656 ( -5.028 -5.330 -0.000) 7.327 12.871 ( -1.369 -4.851 -0.000) 5.041 13.180 ( -1.900 -2.800 -0.000) 3.384 13.307 ( -0.365 -4.690 -0.000) 4.704 14.410 ( 9.841 11.831 0.000) 15.389 14.671 ( 1.146 2.599 0.000) 2.841 15.387 ( 2.938 -6.394 -0.000) 7.036 ======================= Grid point 257 (128/135) ======================= q-point: ( 0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.000 11.732 4.187) 12.457 1.287 ( 0.000 3.408 13.440) 13.866 1.360 ( 0.000 -3.142 18.462) 18.727 1.476 ( -0.000 3.014 -2.466) 3.894 1.617 ( 0.000 -0.395 0.183) 0.435 1.899 ( 0.000 -1.314 8.543) 8.644 2.002 ( 0.000 1.130 0.661) 1.309 2.069 ( -0.000 -12.428 0.121) 12.428 2.423 ( 0.000 6.640 2.809) 7.210 2.654 ( 0.000 2.495 1.461) 2.891 2.785 ( 0.000 -1.846 1.489) 2.372 2.799 ( -0.000 -2.265 -0.434) 2.306 3.160 ( -0.000 1.929 -3.876) 4.330 3.294 ( -0.000 -3.109 -2.320) 3.879 3.444 ( 0.000 1.375 -0.364) 1.423 4.529 ( -0.000 -0.343 -6.094) 6.103 4.595 ( -0.000 0.962 -4.436) 4.539 4.625 ( -0.000 1.179 -12.635) 12.690 7.048 ( 0.000 -8.461 25.135) 26.521 9.775 ( -0.000 2.163 -1.708) 2.756 10.227 ( 0.000 6.561 1.682) 6.773 10.400 ( -0.000 -4.678 -6.421) 7.945 10.555 ( 0.000 -8.001 9.866) 12.703 10.645 ( 0.000 4.496 -0.755) 4.559 11.527 ( -0.000 4.228 -5.769) 7.152 11.622 ( -0.000 -2.491 -25.410) 25.532 11.763 ( 0.000 5.105 11.486) 12.569 12.123 ( 0.000 -4.611 4.065) 6.147 12.503 ( -0.000 -4.218 -0.174) 4.221 12.807 ( 0.000 7.326 15.570) 17.207 12.844 ( -0.000 -2.791 -1.257) 3.061 13.168 ( -0.000 -4.775 0.880) 4.855 13.370 ( 0.000 -7.489 6.445) 9.880 14.442 ( -0.000 11.860 -7.516) 14.041 14.655 ( -0.000 3.115 -2.256) 3.846 15.319 ( -0.000 -6.295 -10.099) 11.900 ======================= Grid point 279 (129/135) ======================= q-point: ( 0.62 -0.62 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 1.764 0.000 0.000) 1.764 1.266 ( -3.430 -0.000 -0.000) 3.430 1.521 ( -6.935 -0.000 -0.000) 6.935 1.543 ( 6.194 0.000 0.000) 6.194 1.819 ( -11.517 -0.000 -0.000) 11.517 1.824 ( 2.140 0.000 0.000) 2.140 1.830 ( -2.178 -0.000 -0.000) 2.178 2.020 ( -0.278 -0.000 -0.000) 0.278 2.257 ( -2.211 -0.000 -0.000) 2.211 2.608 ( 6.096 0.000 0.000) 6.096 2.859 ( -2.947 -0.000 -0.000) 2.947 2.959 ( -4.895 -0.000 -0.000) 4.895 3.171 ( 4.820 0.000 0.000) 4.820 3.305 ( -3.074 -0.000 -0.000) 3.074 3.328 ( 5.992 0.000 0.000) 5.992 4.584 ( 0.018 0.000 0.000) 0.018 4.654 ( 0.107 0.000 0.000) 0.107 4.790 ( 0.765 0.000 0.000) 0.765 6.838 ( -8.533 -0.000 -0.000) 8.533 9.811 ( 1.658 0.000 0.000) 1.658 9.870 ( 15.579 0.000 0.000) 15.579 10.083 ( 1.663 0.000 0.000) 1.663 10.609 ( 3.708 0.000 0.000) 3.708 10.702 ( -7.408 -0.000 -0.000) 7.408 11.745 ( -2.492 -0.000 -0.000) 2.492 11.804 ( -3.840 -0.000 -0.000) 3.840 11.807 ( 8.509 0.000 0.000) 8.509 12.438 ( 0.661 0.000 0.000) 0.661 12.668 ( -18.072 -0.000 -0.000) 18.072 12.669 ( -4.393 -0.000 -0.000) 4.393 12.847 ( -6.388 -0.000 -0.000) 6.388 13.221 ( -4.189 -0.000 -0.000) 4.189 13.277 ( -1.329 -0.000 -0.000) 1.329 14.189 ( 18.993 0.000 0.000) 18.993 14.696 ( 1.004 0.000 0.000) 1.004 15.247 ( 3.984 0.000 0.000) 3.984 ======================= Grid point 285 (130/135) ======================= q-point: ( 0.62 -0.51 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.121 0.000 19.545) 19.545 1.346 ( -2.547 0.000 12.549) 12.805 1.448 ( -3.544 0.000 5.174) 6.271 1.537 ( -1.398 -0.000 -4.064) 4.297 1.647 ( -5.731 0.000 1.197) 5.855 1.858 ( 2.684 0.000 1.792) 3.227 1.924 ( -1.210 0.000 9.001) 9.082 2.013 ( -0.312 -0.000 -0.817) 0.875 2.364 ( 7.918 0.000 4.024) 8.882 2.696 ( 3.968 -0.000 -1.614) 4.283 2.778 ( -5.053 -0.000 0.536) 5.081 2.853 ( -5.277 0.000 1.691) 5.541 3.207 ( -2.066 -0.000 -4.327) 4.795 3.231 ( 2.823 -0.000 -2.143) 3.544 3.422 ( 3.411 -0.000 -1.275) 3.642 4.525 ( 0.102 -0.000 -6.134) 6.135 4.611 ( -0.364 -0.000 -4.026) 4.042 4.643 ( -0.553 -0.000 -13.891) 13.902 6.996 ( -3.185 0.000 27.515) 27.699 9.770 ( 1.960 -0.000 -4.216) 4.649 10.208 ( 13.004 0.000 -1.112) 13.051 10.249 ( 2.631 0.000 6.793) 7.285 10.582 ( -7.895 0.000 7.188) 10.677 10.600 ( 5.065 -0.000 -6.828) 8.502 11.564 ( 3.012 -0.000 -28.986) 29.142 11.725 ( -7.686 -0.000 -0.272) 7.690 11.815 ( -1.247 0.000 10.720) 10.792 12.212 ( -14.022 -0.000 -0.604) 14.035 12.497 ( -3.712 0.000 1.136) 3.881 12.815 ( -0.229 -0.000 -0.573) 0.617 12.861 ( 3.839 0.000 19.912) 20.278 13.144 ( -2.322 -0.000 -0.339) 2.346 13.280 ( -0.658 0.000 2.475) 2.560 14.448 ( 11.702 -0.000 -8.337) 14.368 14.685 ( 0.248 -0.000 -2.090) 2.104 15.225 ( 1.564 -0.000 -8.222) 8.369 ======================= Grid point 291 (131/135) ======================= q-point: ( 0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -0.000 -0.000 -6.558) 6.558 1.506 ( 0.000 0.000 6.369) 6.369 1.582 ( -0.000 -0.000 -0.454) 0.454 1.704 ( 0.000 0.000 16.716) 16.716 1.767 ( 0.000 0.000 21.714) 21.714 1.935 ( 0.000 0.000 4.049) 4.049 1.988 ( -0.000 -0.000 -0.226) 0.226 2.150 ( 0.000 0.000 14.036) 14.036 2.582 ( 0.000 0.000 3.661) 3.661 2.723 ( 0.000 0.000 2.437) 2.437 2.773 ( 0.000 0.000 3.236) 3.236 2.810 ( 0.000 0.000 3.259) 3.259 3.074 ( -0.000 -0.000 -5.009) 5.009 3.211 ( -0.000 -0.000 -2.625) 2.625 3.423 ( -0.000 -0.000 -2.069) 2.069 4.304 ( -0.000 -0.000 -18.348) 18.348 4.348 ( -0.000 -0.000 -11.885) 11.885 4.487 ( -0.000 -0.000 -7.936) 7.936 7.675 ( 0.000 0.000 41.937) 41.937 9.753 ( -0.000 -0.000 -1.031) 1.031 10.180 ( -0.000 -0.000 -9.967) 9.967 10.320 ( -0.000 -0.000 -0.079) 0.079 10.687 ( -0.000 -0.000 -0.889) 0.889 10.763 ( 0.000 0.000 16.621) 16.621 10.991 ( -0.000 -0.000 -29.479) 29.479 11.391 ( -0.000 -0.000 -11.828) 11.828 12.141 ( 0.000 0.000 18.964) 18.964 12.160 ( 0.000 0.000 5.101) 5.101 12.459 ( 0.000 0.000 0.111) 0.111 12.795 ( -0.000 -0.000 -0.925) 0.925 13.088 ( -0.000 -0.000 -2.148) 2.148 13.300 ( 0.000 0.000 15.955) 15.955 13.350 ( 0.000 0.000 5.265) 5.265 14.342 ( -0.000 -0.000 -13.847) 13.847 14.648 ( -0.000 -0.000 -1.205) 1.205 15.002 ( -0.000 -0.000 -15.285) 15.285 ======================= Grid point 302 (132/135) ======================= q-point: ( 0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 0.000 4.650 0.000) 4.650 1.144 ( -0.000 -5.891 -0.000) 5.891 1.184 ( 0.000 12.697 0.000) 12.697 1.503 ( 0.000 3.189 0.000) 3.189 1.615 ( -0.000 -0.257 -0.000) 0.257 1.804 ( -0.000 -2.995 -0.000) 2.995 2.003 ( 0.000 2.297 0.000) 2.297 2.068 ( -0.000 -12.424 -0.000) 12.424 2.395 ( 0.000 6.079 0.000) 6.079 2.639 ( 0.000 2.278 0.000) 2.278 2.770 ( -0.000 -1.871 -0.000) 1.871 2.808 ( -0.000 -2.125 -0.000) 2.125 3.202 ( 0.000 2.989 0.000) 2.989 3.318 ( -0.000 -3.298 -0.000) 3.298 3.446 ( 0.000 2.371 0.000) 2.371 4.590 ( -0.000 -0.343 -0.000) 0.343 4.639 ( 0.000 0.659 0.000) 0.659 4.762 ( 0.000 3.265 0.000) 3.265 6.784 ( -0.000 -12.014 -0.000) 12.014 9.798 ( 0.000 3.462 0.000) 3.462 10.209 ( 0.000 7.002 0.000) 7.002 10.450 ( -0.000 -10.498 -0.000) 10.498 10.469 ( -0.000 -5.107 -0.000) 5.107 10.650 ( 0.000 4.500 0.000) 4.500 11.588 ( 0.000 5.298 0.000) 5.298 11.638 ( 0.000 4.338 0.000) 4.338 11.992 ( 0.000 1.510 0.000) 1.510 12.026 ( 0.000 0.584 0.000) 0.584 12.505 ( -0.000 -4.553 -0.000) 4.553 12.591 ( -0.000 -2.719 -0.000) 2.719 12.857 ( -0.000 -3.518 -0.000) 3.518 13.160 ( -0.000 -3.243 -0.000) 3.243 13.303 ( -0.000 -5.057 -0.000) 5.057 14.519 ( 0.000 13.027 0.000) 13.027 14.679 ( 0.000 2.923 0.000) 2.923 15.422 ( -0.000 -7.635 -0.000) 7.635 ======================= Grid point 330 (133/135) ======================= q-point: ( 0.56 -0.56 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.665 0.000 0.000) 0.665 1.204 ( -2.279 -0.000 -0.000) 2.279 1.399 ( -4.148 -0.000 -0.000) 4.148 1.601 ( -0.170 -0.000 -0.000) 0.170 1.620 ( -6.887 -0.000 -0.000) 6.887 1.786 ( -1.677 -0.000 -0.000) 1.677 1.883 ( 2.961 0.000 0.000) 2.961 2.021 ( -0.085 -0.000 -0.000) 0.085 2.323 ( 7.937 0.000 0.000) 7.937 2.712 ( 3.511 0.000 0.000) 3.511 2.770 ( -5.708 -0.000 -0.000) 5.708 2.840 ( -5.254 -0.000 -0.000) 5.254 3.253 ( -1.713 -0.000 -0.000) 1.713 3.254 ( 2.792 0.000 0.000) 2.792 3.435 ( 3.676 0.000 0.000) 3.676 4.585 ( 0.063 0.000 0.000) 0.063 4.650 ( -0.305 -0.000 -0.000) 0.305 4.798 ( 0.145 0.000 0.000) 0.145 6.703 ( -4.247 -0.000 -0.000) 4.247 9.829 ( 0.345 0.000 0.000) 0.345 10.156 ( 5.364 0.000 0.000) 5.364 10.218 ( 15.581 0.000 0.000) 15.581 10.516 ( -9.710 -0.000 -0.000) 9.710 10.672 ( 2.187 0.000 0.000) 2.187 11.702 ( -1.482 -0.000 -0.000) 1.482 11.720 ( -4.391 -0.000 -0.000) 4.391 11.956 ( 5.152 0.000 0.000) 5.152 12.225 ( -17.762 -0.000 -0.000) 17.762 12.448 ( 0.416 0.000 0.000) 0.416 12.592 ( -2.664 -0.000 -0.000) 2.664 12.821 ( -0.069 -0.000 -0.000) 0.069 13.150 ( -2.391 -0.000 -0.000) 2.391 13.255 ( -0.732 -0.000 -0.000) 0.732 14.534 ( 12.281 0.000 0.000) 12.281 14.708 ( 0.242 0.000 0.000) 0.242 15.308 ( 1.848 0.000 0.000) 1.848 ======================= Grid point 336 (134/135) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 0.000 18.400) 18.400 1.315 ( 0.000 0.000 11.288) 11.288 1.411 ( 0.000 0.000 6.365) 6.365 1.513 ( -0.000 -0.000 -1.651) 1.651 1.588 ( -0.000 -0.000 -0.194) 0.194 1.884 ( 0.000 0.000 11.077) 11.077 1.919 ( -0.000 -0.000 -0.128) 0.128 2.008 ( -0.000 -0.000 -0.974) 0.974 2.504 ( 0.000 0.000 3.423) 3.423 2.680 ( 0.000 0.000 1.666) 1.666 2.764 ( -0.000 -0.000 -0.930) 0.930 2.765 ( 0.000 0.000 1.513) 1.513 3.184 ( -0.000 -0.000 -4.829) 4.829 3.262 ( -0.000 -0.000 -2.122) 2.122 3.459 ( -0.000 -0.000 -1.458) 1.458 4.526 ( -0.000 -0.000 -6.098) 6.098 4.606 ( -0.000 -0.000 -4.096) 4.096 4.637 ( -0.000 -0.000 -14.437) 14.437 6.962 ( 0.000 0.000 28.425) 28.425 9.793 ( -0.000 -0.000 -2.805) 2.805 10.298 ( 0.000 0.000 1.265) 1.265 10.346 ( -0.000 -0.000 -6.461) 6.461 10.471 ( 0.000 0.000 12.078) 12.078 10.698 ( -0.000 -0.000 -0.092) 0.092 11.574 ( -0.000 -0.000 -6.621) 6.621 11.597 ( -0.000 -0.000 -30.073) 30.073 11.821 ( 0.000 0.000 12.390) 12.390 12.069 ( 0.000 0.000 3.702) 3.702 12.456 ( 0.000 0.000 0.174) 0.174 12.813 ( -0.000 -0.000 -0.736) 0.736 12.905 ( 0.000 0.000 22.785) 22.785 13.116 ( -0.000 -0.000 -0.837) 0.837 13.273 ( 0.000 0.000 2.595) 2.595 14.577 ( -0.000 -0.000 -9.007) 9.007 14.687 ( -0.000 -0.000 -2.032) 2.032 15.241 ( -0.000 -0.000 -8.533) 8.533 ======================= Grid point 382 (135/135) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.545 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 2.018 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.777 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.474 ( -0.000 -0.000 -0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.646 ( 0.000 0.000 0.000) 0.000 4.799 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 9.832 ( 0.000 0.000 0.000) 0.000 10.284 ( 0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.686 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.030 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.821 ( 0.000 0.000 0.000) 0.000 13.124 ( 0.000 0.000 0.000) 0.000 13.247 ( 0.000 0.000 0.000) 0.000 14.669 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 15.327 ( 0.000 0.000 0.000) 0.000 =================== 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 3/25920 10.0 265.434 378.218 389.237 0.000 0.000 0.000 3/25920 20.0 50.179 56.738 99.479 0.000 0.000 0.000 3/25920 30.0 23.799 25.608 53.352 0.000 0.000 0.000 3/25920 40.0 15.782 16.382 37.096 0.000 0.000 0.000 3/25920 50.0 11.982 12.164 29.070 0.000 0.000 0.000 3/25920 60.0 9.723 9.730 24.197 0.000 0.000 0.000 3/25920 70.0 8.193 8.112 20.809 0.000 0.000 0.000 3/25920 80.0 7.069 6.934 18.240 0.000 0.000 0.000 3/25920 90.0 6.200 6.028 16.191 0.000 0.000 0.000 3/25920 100.0 5.505 5.305 14.508 0.000 0.000 0.000 3/25920 110.0 4.938 4.718 13.104 0.000 0.000 0.000 3/25920 120.0 4.468 4.233 11.919 0.000 0.000 0.000 3/25920 130.0 4.074 3.830 10.911 0.000 0.000 0.000 3/25920 140.0 3.739 3.490 10.047 0.000 0.000 0.000 3/25920 150.0 3.453 3.202 9.302 0.000 0.000 0.000 3/25920 160.0 3.206 2.955 8.654 0.000 0.000 0.000 3/25920 170.0 2.991 2.742 8.087 0.000 0.000 0.000 3/25920 180.0 2.803 2.557 7.588 0.000 0.000 0.000 3/25920 190.0 2.637 2.395 7.146 0.000 0.000 0.000 3/25920 200.0 2.489 2.252 6.752 0.000 0.000 0.000 3/25920 210.0 2.357 2.125 6.398 0.000 0.000 0.000 3/25920 220.0 2.238 2.012 6.080 0.000 0.000 0.000 3/25920 230.0 2.131 1.910 5.793 0.000 0.000 0.000 3/25920 240.0 2.034 1.819 5.531 0.000 0.000 0.000 3/25920 250.0 1.945 1.736 5.292 0.000 0.000 0.000 3/25920 260.0 1.864 1.660 5.073 0.000 0.000 0.000 3/25920 270.0 1.790 1.591 4.872 0.000 0.000 0.000 3/25920 280.0 1.721 1.527 4.686 0.000 0.000 0.000 3/25920 290.0 1.658 1.469 4.514 0.000 0.000 0.000 3/25920 300.0 1.599 1.414 4.355 0.000 0.000 0.000 3/25920 310.0 1.544 1.364 4.206 0.000 0.000 0.000 3/25920 320.0 1.493 1.318 4.068 0.000 0.000 0.000 3/25920 330.0 1.445 1.274 3.938 0.000 0.000 0.000 3/25920 340.0 1.400 1.233 3.817 0.000 0.000 0.000 3/25920 350.0 1.358 1.195 3.703 0.000 0.000 0.000 3/25920 360.0 1.319 1.160 3.595 0.000 0.000 0.000 3/25920 370.0 1.282 1.126 3.494 0.000 0.000 0.000 3/25920 380.0 1.246 1.094 3.399 0.000 0.000 0.000 3/25920 390.0 1.213 1.064 3.308 0.000 0.000 0.000 3/25920 400.0 1.182 1.036 3.222 0.000 0.000 0.000 3/25920 410.0 1.152 1.009 3.141 0.000 0.000 0.000 3/25920 420.0 1.124 0.984 3.064 0.000 0.000 0.000 3/25920 430.0 1.097 0.960 2.991 0.000 0.000 0.000 3/25920 440.0 1.071 0.937 2.921 0.000 0.000 0.000 3/25920 450.0 1.046 0.915 2.854 0.000 0.000 0.000 3/25920 460.0 1.023 0.894 2.790 0.000 0.000 0.000 3/25920 470.0 1.001 0.874 2.729 0.000 0.000 0.000 3/25920 480.0 0.979 0.855 2.671 0.000 0.000 0.000 3/25920 490.0 0.959 0.837 2.615 0.000 0.000 0.000 3/25920 500.0 0.939 0.820 2.562 0.000 0.000 0.000 3/25920 510.0 0.920 0.803 2.510 0.000 0.000 0.000 3/25920 520.0 0.902 0.787 2.461 0.000 0.000 0.000 3/25920 530.0 0.885 0.772 2.414 0.000 0.000 0.000 3/25920 540.0 0.868 0.757 2.368 0.000 0.000 0.000 3/25920 550.0 0.852 0.743 2.324 0.000 0.000 0.000 3/25920 560.0 0.836 0.729 2.282 0.000 0.000 0.000 3/25920 570.0 0.822 0.716 2.241 0.000 0.000 0.000 3/25920 580.0 0.807 0.703 2.202 0.000 0.000 0.000 3/25920 590.0 0.793 0.691 2.164 0.000 0.000 0.000 3/25920 600.0 0.780 0.679 2.128 0.000 0.000 0.000 3/25920 610.0 0.767 0.668 2.092 0.000 0.000 0.000 3/25920 620.0 0.754 0.657 2.058 0.000 0.000 0.000 3/25920 630.0 0.742 0.646 2.025 0.000 0.000 0.000 3/25920 640.0 0.730 0.636 1.993 0.000 0.000 0.000 3/25920 650.0 0.719 0.626 1.962 0.000 0.000 0.000 3/25920 660.0 0.708 0.616 1.932 0.000 0.000 0.000 3/25920 670.0 0.697 0.607 1.902 0.000 0.000 0.000 3/25920 680.0 0.687 0.597 1.874 0.000 0.000 0.000 3/25920 690.0 0.677 0.589 1.847 0.000 0.000 0.000 3/25920 700.0 0.667 0.580 1.820 0.000 0.000 0.000 3/25920 710.0 0.658 0.572 1.794 0.000 0.000 0.000 3/25920 720.0 0.648 0.564 1.769 0.000 0.000 0.000 3/25920 730.0 0.639 0.556 1.745 0.000 0.000 0.000 3/25920 740.0 0.631 0.548 1.721 0.000 0.000 0.000 3/25920 750.0 0.622 0.541 1.698 0.000 0.000 0.000 3/25920 760.0 0.614 0.534 1.675 0.000 0.000 0.000 3/25920 770.0 0.606 0.526 1.653 0.000 0.000 0.000 3/25920 780.0 0.598 0.520 1.632 0.000 0.000 0.000 3/25920 790.0 0.590 0.513 1.611 0.000 0.000 0.000 3/25920 800.0 0.583 0.506 1.591 0.000 0.000 0.000 3/25920 810.0 0.576 0.500 1.571 0.000 0.000 0.000 3/25920 820.0 0.569 0.494 1.552 0.000 0.000 0.000 3/25920 830.0 0.562 0.488 1.533 0.000 0.000 0.000 3/25920 840.0 0.555 0.482 1.514 0.000 0.000 0.000 3/25920 850.0 0.548 0.476 1.496 0.000 0.000 0.000 3/25920 860.0 0.542 0.471 1.479 0.000 0.000 0.000 3/25920 870.0 0.536 0.465 1.462 0.000 0.000 0.000 3/25920 880.0 0.530 0.460 1.445 0.000 0.000 0.000 3/25920 890.0 0.524 0.455 1.429 0.000 0.000 0.000 3/25920 900.0 0.518 0.449 1.413 0.000 0.000 0.000 3/25920 910.0 0.512 0.444 1.397 0.000 0.000 0.000 3/25920 920.0 0.506 0.440 1.382 0.000 0.000 0.000 3/25920 930.0 0.501 0.435 1.367 0.000 0.000 0.000 3/25920 940.0 0.496 0.430 1.352 0.000 0.000 0.000 3/25920 950.0 0.490 0.426 1.338 0.000 0.000 0.000 3/25920 960.0 0.485 0.421 1.324 0.000 0.000 0.000 3/25920 970.0 0.480 0.417 1.310 0.000 0.000 0.000 3/25920 980.0 0.475 0.412 1.297 0.000 0.000 0.000 3/25920 990.0 0.470 0.408 1.284 0.000 0.000 0.000 3/25920 1000.0 0.466 0.404 1.271 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m11720.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:10:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|