----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:33:04]------------------------- 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: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.110311250000001 4.110311250000001 4.105417330000000 b 4.110311250000001 -4.110311250000001 4.105417330000000 c 4.110311250000001 4.110311250000001 -4.105417330000000 Atomic positions (fractional): *1 Tb 0.00284982633826 0.62500000000000 0.87784982633826 158.925 2 Tb 0.87500000000000 0.99715017366174 0.62215017366174 158.925 3 Tb 0.74715017366174 0.12500000000000 0.12215017366174 158.925 4 Tb 0.37500000000000 0.25284982633826 0.37784982633826 158.925 *5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 6 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 *7 S 0.12169934028528 0.37234394216247 0.10156346958916 32.065 8 S 0.12234394216247 0.37169934028528 0.60156346958916 32.065 9 S 0.47921952742669 0.87765605783753 0.24935539812280 32.065 10 S 0.77013587069612 0.52078047257331 0.39843653041084 32.065 11 S 0.62765605783753 0.72921952742669 0.74935539812280 32.065 12 S 0.27078047257331 0.02013587069612 0.89843653041084 32.065 13 S 0.97986412930388 0.87830065971472 0.25064460187720 32.065 14 S 0.62830065971472 0.22986412930388 0.75064460187720 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.220622500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.220622500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.210834660000000 Atomic positions (fractional): *1 Tb 0.75000000000000 0.12784982633826 0.87500000000000 158.925 > 1 2 Tb 0.37215017366174 0.25000000000000 0.62500000000000 158.925 > 2 3 Tb 0.75000000000000 0.37215017366174 0.37500000000000 158.925 > 3 4 Tb 0.12784982633826 0.25000000000000 0.12500000000000 158.925 > 4 5 Tb 0.25000000000000 0.62784982633826 0.37500000000000 158.925 > 1 6 Tb 0.87215017366174 0.75000000000000 0.12500000000000 158.925 > 2 7 Tb 0.25000000000000 0.87215017366174 0.87500000000000 158.925 > 3 8 Tb 0.62784982633826 0.75000000000000 0.62500000000000 158.925 > 4 *9 Yb 0.00000000000000 0.00000000000000 0.50000000000000 173.054 > 5 10 Yb 0.00000000000000 0.50000000000000 0.75000000000000 173.054 > 6 11 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 5 12 Yb 0.50000000000000 0.00000000000000 0.25000000000000 173.054 > 6 *13 S 0.17610403573318 0.92545943385598 0.19623990642930 32.065 > 7 14 S 0.42545943385598 0.17610403573318 0.94623990642929 32.065 > 8 15 S 0.32389596426682 0.92545943385598 0.55376009357071 32.065 > 9 16 S 0.07454056614402 0.32389596426682 0.44623990642930 32.065 > 10 17 S 0.42545943385598 0.32389596426682 0.30376009357070 32.065 > 11 18 S 0.32389596426682 0.57454056614402 0.69623990642929 32.065 > 12 19 S 0.07454056614402 0.17610403573318 0.80376009357071 32.065 > 13 20 S 0.17610403573318 0.57454056614402 0.05376009357070 32.065 > 14 21 S 0.67610403573318 0.42545943385598 0.69623990642929 32.065 > 7 22 S 0.92545943385598 0.67610403573318 0.44623990642930 32.065 > 8 23 S 0.82389596426682 0.42545943385598 0.05376009357070 32.065 > 9 24 S 0.57454056614402 0.82389596426682 0.94623990642929 32.065 > 10 25 S 0.92545943385598 0.82389596426682 0.80376009357071 32.065 > 11 26 S 0.82389596426682 0.07454056614402 0.19623990642930 32.065 > 12 27 S 0.57454056614402 0.67610403573318 0.30376009357070 32.065 > 13 28 S 0.67610403573318 0.07454056614402 0.55376009357071 32.065 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.220622500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.220622500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.421669319999999 Atomic positions (fractional): *1 Tb 0.75000000000000 0.12784982633826 0.43750000000000 158.925 > 1 2 Tb 0.75000000000000 0.12784982633826 0.93750000000000 158.925 > 1 3 Tb 0.37215017366174 0.25000000000000 0.31250000000000 158.925 > 2 4 Tb 0.37215017366174 0.25000000000000 0.81250000000000 158.925 > 2 5 Tb 0.75000000000000 0.37215017366174 0.18750000000000 158.925 > 3 6 Tb 0.75000000000000 0.37215017366174 0.68750000000000 158.925 > 3 7 Tb 0.12784982633826 0.25000000000000 0.06250000000000 158.925 > 4 8 Tb 0.12784982633826 0.25000000000000 0.56250000000000 158.925 > 4 9 Tb 0.25000000000000 0.62784982633826 0.18750000000000 158.925 > 1 10 Tb 0.25000000000000 0.62784982633826 0.68750000000000 158.925 > 1 11 Tb 0.87215017366174 0.75000000000000 0.06250000000000 158.925 > 2 12 Tb 0.87215017366174 0.75000000000000 0.56250000000000 158.925 > 2 13 Tb 0.25000000000000 0.87215017366174 0.43750000000000 158.925 > 3 14 Tb 0.25000000000000 0.87215017366174 0.93750000000000 158.925 > 3 15 Tb 0.62784982633826 0.75000000000000 0.31250000000000 158.925 > 4 16 Tb 0.62784982633826 0.75000000000000 0.81250000000000 158.925 > 4 *17 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 5 18 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 5 19 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 6 20 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 6 21 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 5 22 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 5 23 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 6 24 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 6 *25 S 0.17610403573318 0.92545943385598 0.09811995321465 32.065 > 7 26 S 0.17610403573318 0.92545943385598 0.59811995321465 32.065 > 7 27 S 0.42545943385598 0.17610403573318 0.47311995321465 32.065 > 8 28 S 0.42545943385598 0.17610403573318 0.97311995321465 32.065 > 8 29 S 0.32389596426682 0.92545943385598 0.27688004678535 32.065 > 9 30 S 0.32389596426682 0.92545943385598 0.77688004678535 32.065 > 9 31 S 0.07454056614402 0.32389596426682 0.22311995321465 32.065 > 10 32 S 0.07454056614402 0.32389596426682 0.72311995321465 32.065 > 10 33 S 0.42545943385598 0.32389596426682 0.15188004678535 32.065 > 11 34 S 0.42545943385598 0.32389596426682 0.65188004678535 32.065 > 11 35 S 0.32389596426682 0.57454056614402 0.34811995321465 32.065 > 12 36 S 0.32389596426682 0.57454056614402 0.84811995321465 32.065 > 12 37 S 0.07454056614402 0.17610403573318 0.40188004678535 32.065 > 13 38 S 0.07454056614402 0.17610403573318 0.90188004678535 32.065 > 13 39 S 0.17610403573318 0.57454056614402 0.02688004678535 32.065 > 14 40 S 0.17610403573318 0.57454056614402 0.52688004678535 32.065 > 14 41 S 0.67610403573318 0.42545943385598 0.34811995321465 32.065 > 7 42 S 0.67610403573318 0.42545943385598 0.84811995321465 32.065 > 7 43 S 0.92545943385598 0.67610403573318 0.22311995321465 32.065 > 8 44 S 0.92545943385598 0.67610403573318 0.72311995321465 32.065 > 8 45 S 0.82389596426682 0.42545943385598 0.02688004678535 32.065 > 9 46 S 0.82389596426682 0.42545943385598 0.52688004678535 32.065 > 9 47 S 0.57454056614402 0.82389596426682 0.47311995321465 32.065 > 10 48 S 0.57454056614402 0.82389596426682 0.97311995321465 32.065 > 10 49 S 0.92545943385598 0.82389596426682 0.40188004678535 32.065 > 11 50 S 0.92545943385598 0.82389596426682 0.90188004678535 32.065 > 11 51 S 0.82389596426682 0.07454056614402 0.09811995321465 32.065 > 12 52 S 0.82389596426682 0.07454056614402 0.59811995321465 32.065 > 12 53 S 0.57454056614402 0.67610403573318 0.15188004678535 32.065 > 13 54 S 0.57454056614402 0.67610403573318 0.65188004678535 32.065 > 13 55 S 0.67610403573318 0.07454056614402 0.27688004678535 32.065 > 14 56 S 0.67610403573318 0.07454056614402 0.77688004678535 32.065 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3811991 0.0000000 0.0000000 0.0000000 8.3811991 0.0000000 0.0000000 0.0000000 8.3092480 -------------------------- Born effective charges -------------------------- 1 Tb 4.1038359 0.0000000 0.2690731 0.0000000 3.8212080 -0.0000000 0.2162292 0.0000000 3.7724748 2 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 -0.2690731 -0.0000000 -0.2162292 3.7724748 3 Tb 4.1038359 0.0000000 -0.2690731 0.0000000 3.8212080 -0.0000000 -0.2162292 0.0000000 3.7724748 4 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 0.2690731 -0.0000000 0.2162292 3.7724748 5 Yb 2.4547277 0.0817778 0.0000000 -0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 6 Yb 2.4547277 -0.0817778 0.0000000 0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 7 S -2.3029841 -0.1555862 0.1720154 -0.1360436 -2.8869017 0.2375760 0.0602724 0.3799379 -2.5843624 8 S -2.8869017 -0.1360436 0.2375760 -0.1555862 -2.3029841 0.1720154 0.3799379 0.0602724 -2.5843624 9 S -2.3029841 0.1555862 0.1720154 0.1360436 -2.8869017 -0.2375760 0.0602724 -0.3799379 -2.5843624 10 S -2.8869017 -0.1360436 -0.2375760 -0.1555862 -2.3029841 -0.1720154 -0.3799379 -0.0602724 -2.5843624 11 S -2.8869017 0.1360436 -0.2375760 0.1555862 -2.3029841 0.1720154 -0.3799379 0.0602724 -2.5843624 12 S -2.3029841 -0.1555862 -0.1720154 -0.1360436 -2.8869017 -0.2375760 -0.0602724 -0.3799379 -2.5843624 13 S -2.8869017 0.1360436 0.2375760 0.1555862 -2.3029841 -0.1720154 0.3799379 -0.0602724 -2.5843624 14 S -2.3029841 0.1555862 -0.1720154 0.1360436 -2.8869017 0.2375760 -0.0602724 0.3799379 -2.5843624 ---------------------------------------------------------------------------- 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: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True ----- Solver_atoms: 1 -- 56 / 56 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.209 Solver_block: 200 / 240 - Time: 0.223 Solver_block: 240 / 240 - Time: 0.103 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.543 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 168/168 Permutation basis: 4326/4326 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 474 Number of blocks in projector: 474 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 123 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 96 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 63 Use standard eigh solver. Tree of FC basis block matrices: - (474, 457), data: False |-- (63, 60), data: True |-- (96, 93), data: True |-- (123, 118), data: True |-- (192, 186), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:33:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:33:10]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.110311250000001 4.110311250000001 4.105417330000000 b 4.110311250000001 -4.110311250000001 4.105417330000000 c 4.110311250000001 4.110311250000001 -4.105417330000000 Atomic positions (fractional): 1 Tb 0.00284982633826 0.62500000000000 0.87784982633826 158.925 2 Tb 0.87500000000000 0.99715017366174 0.62215017366174 158.925 3 Tb 0.74715017366174 0.12500000000000 0.12215017366174 158.925 4 Tb 0.37500000000000 0.25284982633826 0.37784982633826 158.925 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 6 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 7 S 0.12169934028528 0.37234394216247 0.10156346958916 32.065 8 S 0.12234394216247 0.37169934028528 0.60156346958916 32.065 9 S 0.47921952742669 0.87765605783753 0.24935539812280 32.065 10 S 0.77013587069612 0.52078047257331 0.39843653041084 32.065 11 S 0.62765605783753 0.72921952742669 0.74935539812280 32.065 12 S 0.27078047257331 0.02013587069612 0.89843653041084 32.065 13 S 0.97986412930388 0.87830065971472 0.25064460187720 32.065 14 S 0.62830065971472 0.22986412930388 0.75064460187720 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.220622500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.220622500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.421669319999999 Atomic positions (fractional): 1 Tb 0.75000000000000 0.12784982633826 0.43750000000000 158.925 > 1 2 Tb 0.75000000000000 0.12784982633826 0.93750000000000 158.925 > 1 3 Tb 0.37215017366174 0.25000000000000 0.31250000000000 158.925 > 3 4 Tb 0.37215017366174 0.25000000000000 0.81250000000000 158.925 > 3 5 Tb 0.75000000000000 0.37215017366174 0.18750000000000 158.925 > 5 6 Tb 0.75000000000000 0.37215017366174 0.68750000000000 158.925 > 5 7 Tb 0.12784982633826 0.25000000000000 0.06250000000000 158.925 > 7 8 Tb 0.12784982633826 0.25000000000000 0.56250000000000 158.925 > 7 9 Tb 0.25000000000000 0.62784982633826 0.18750000000000 158.925 > 1 10 Tb 0.25000000000000 0.62784982633826 0.68750000000000 158.925 > 1 11 Tb 0.87215017366174 0.75000000000000 0.06250000000000 158.925 > 3 12 Tb 0.87215017366174 0.75000000000000 0.56250000000000 158.925 > 3 13 Tb 0.25000000000000 0.87215017366174 0.43750000000000 158.925 > 5 14 Tb 0.25000000000000 0.87215017366174 0.93750000000000 158.925 > 5 15 Tb 0.62784982633826 0.75000000000000 0.31250000000000 158.925 > 7 16 Tb 0.62784982633826 0.75000000000000 0.81250000000000 158.925 > 7 17 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 17 18 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 17 19 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 19 20 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 19 21 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 17 22 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 17 23 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 19 24 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 19 25 S 0.17610403573318 0.92545943385598 0.09811995321465 32.065 > 25 26 S 0.17610403573318 0.92545943385598 0.59811995321465 32.065 > 25 27 S 0.42545943385598 0.17610403573318 0.47311995321465 32.065 > 27 28 S 0.42545943385598 0.17610403573318 0.97311995321465 32.065 > 27 29 S 0.32389596426682 0.92545943385598 0.27688004678535 32.065 > 29 30 S 0.32389596426682 0.92545943385598 0.77688004678535 32.065 > 29 31 S 0.07454056614402 0.32389596426682 0.22311995321465 32.065 > 31 32 S 0.07454056614402 0.32389596426682 0.72311995321465 32.065 > 31 33 S 0.42545943385598 0.32389596426682 0.15188004678535 32.065 > 33 34 S 0.42545943385598 0.32389596426682 0.65188004678535 32.065 > 33 35 S 0.32389596426682 0.57454056614402 0.34811995321465 32.065 > 35 36 S 0.32389596426682 0.57454056614402 0.84811995321465 32.065 > 35 37 S 0.07454056614402 0.17610403573318 0.40188004678535 32.065 > 37 38 S 0.07454056614402 0.17610403573318 0.90188004678535 32.065 > 37 39 S 0.17610403573318 0.57454056614402 0.02688004678535 32.065 > 39 40 S 0.17610403573318 0.57454056614402 0.52688004678535 32.065 > 39 41 S 0.67610403573318 0.42545943385598 0.34811995321465 32.065 > 25 42 S 0.67610403573318 0.42545943385598 0.84811995321465 32.065 > 25 43 S 0.92545943385598 0.67610403573318 0.22311995321465 32.065 > 27 44 S 0.92545943385598 0.67610403573318 0.72311995321465 32.065 > 27 45 S 0.82389596426682 0.42545943385598 0.02688004678535 32.065 > 29 46 S 0.82389596426682 0.42545943385598 0.52688004678535 32.065 > 29 47 S 0.57454056614402 0.82389596426682 0.47311995321465 32.065 > 31 48 S 0.57454056614402 0.82389596426682 0.97311995321465 32.065 > 31 49 S 0.92545943385598 0.82389596426682 0.40188004678535 32.065 > 33 50 S 0.92545943385598 0.82389596426682 0.90188004678535 32.065 > 33 51 S 0.82389596426682 0.07454056614402 0.09811995321465 32.065 > 35 52 S 0.82389596426682 0.07454056614402 0.59811995321465 32.065 > 35 53 S 0.57454056614402 0.67610403573318 0.15188004678535 32.065 > 37 54 S 0.57454056614402 0.67610403573318 0.65188004678535 32.065 > 37 55 S 0.67610403573318 0.07454056614402 0.27688004678535 32.065 > 39 56 S 0.67610403573318 0.07454056614402 0.77688004678535 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.3811991 0.0000000 0.0000000 0.0000000 8.3811991 0.0000000 0.0000000 0.0000000 8.3092480 -------------------------- Born effective charges -------------------------- 1 Tb 4.1038359 0.0000000 0.2690731 0.0000000 3.8212080 -0.0000000 0.2162292 0.0000000 3.7724748 2 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 -0.2690731 -0.0000000 -0.2162292 3.7724748 3 Tb 4.1038359 0.0000000 -0.2690731 0.0000000 3.8212080 -0.0000000 -0.2162292 0.0000000 3.7724748 4 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 0.2690731 -0.0000000 0.2162292 3.7724748 5 Yb 2.4547277 0.0817778 0.0000000 -0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 6 Yb 2.4547277 -0.0817778 0.0000000 0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 7 S -2.3029841 -0.1555862 0.1720154 -0.1360436 -2.8869017 0.2375760 0.0602724 0.3799379 -2.5843624 8 S -2.8869017 -0.1360436 0.2375760 -0.1555862 -2.3029841 0.1720154 0.3799379 0.0602724 -2.5843624 9 S -2.3029841 0.1555862 0.1720154 0.1360436 -2.8869017 -0.2375760 0.0602724 -0.3799379 -2.5843624 10 S -2.8869017 -0.1360436 -0.2375760 -0.1555862 -2.3029841 -0.1720154 -0.3799379 -0.0602724 -2.5843624 11 S -2.8869017 0.1360436 -0.2375760 0.1555862 -2.3029841 0.1720154 -0.3799379 0.0602724 -2.5843624 12 S -2.3029841 -0.1555862 -0.1720154 -0.1360436 -2.8869017 -0.2375760 -0.0602724 -0.3799379 -2.5843624 13 S -2.8869017 0.1360436 0.2375760 0.1555862 -2.3029841 -0.1720154 0.3799379 -0.0602724 -2.5843624 14 S -2.3029841 0.1555862 -0.1720154 0.1360436 -2.8869017 0.2375760 -0.0602724 0.3799379 -2.5843624 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, 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 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 21:33:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:33:15]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-42d (122) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.110311250000001 4.110311250000001 4.105417330000000 b 4.110311250000001 -4.110311250000001 4.105417330000000 c 4.110311250000001 4.110311250000001 -4.105417330000000 Atomic positions (fractional): 1 Tb 0.00284982633826 0.62500000000000 0.87784982633826 158.925 2 Tb 0.87500000000000 0.99715017366174 0.62215017366174 158.925 3 Tb 0.74715017366174 0.12500000000000 0.12215017366174 158.925 4 Tb 0.37500000000000 0.25284982633826 0.37784982633826 158.925 5 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 6 Yb 0.25000000000000 0.75000000000000 0.50000000000000 173.054 7 S 0.12169934028528 0.37234394216247 0.10156346958916 32.065 8 S 0.12234394216247 0.37169934028528 0.60156346958916 32.065 9 S 0.47921952742669 0.87765605783753 0.24935539812280 32.065 10 S 0.77013587069612 0.52078047257331 0.39843653041084 32.065 11 S 0.62765605783753 0.72921952742669 0.74935539812280 32.065 12 S 0.27078047257331 0.02013587069612 0.89843653041084 32.065 13 S 0.97986412930388 0.87830065971472 0.25064460187720 32.065 14 S 0.62830065971472 0.22986412930388 0.75064460187720 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.220622500000001 0.000000000000000 0.000000000000000 b 0.000000000000000 8.220622500000001 0.000000000000000 c 0.000000000000000 0.000000000000000 16.421669319999999 Atomic positions (fractional): 1 Tb 0.75000000000000 0.12784982633826 0.43750000000000 158.925 > 1 2 Tb 0.75000000000000 0.12784982633826 0.93750000000000 158.925 > 1 3 Tb 0.37215017366174 0.25000000000000 0.31250000000000 158.925 > 3 4 Tb 0.37215017366174 0.25000000000000 0.81250000000000 158.925 > 3 5 Tb 0.75000000000000 0.37215017366174 0.18750000000000 158.925 > 5 6 Tb 0.75000000000000 0.37215017366174 0.68750000000000 158.925 > 5 7 Tb 0.12784982633826 0.25000000000000 0.06250000000000 158.925 > 7 8 Tb 0.12784982633826 0.25000000000000 0.56250000000000 158.925 > 7 9 Tb 0.25000000000000 0.62784982633826 0.18750000000000 158.925 > 1 10 Tb 0.25000000000000 0.62784982633826 0.68750000000000 158.925 > 1 11 Tb 0.87215017366174 0.75000000000000 0.06250000000000 158.925 > 3 12 Tb 0.87215017366174 0.75000000000000 0.56250000000000 158.925 > 3 13 Tb 0.25000000000000 0.87215017366174 0.43750000000000 158.925 > 5 14 Tb 0.25000000000000 0.87215017366174 0.93750000000000 158.925 > 5 15 Tb 0.62784982633826 0.75000000000000 0.31250000000000 158.925 > 7 16 Tb 0.62784982633826 0.75000000000000 0.81250000000000 158.925 > 7 17 Yb 0.00000000000000 0.00000000000000 0.25000000000000 173.054 > 17 18 Yb 0.00000000000000 0.00000000000000 0.75000000000000 173.054 > 17 19 Yb 0.00000000000000 0.50000000000000 0.37500000000000 173.054 > 19 20 Yb 0.00000000000000 0.50000000000000 0.87500000000000 173.054 > 19 21 Yb 0.50000000000000 0.50000000000000 0.00000000000000 173.054 > 17 22 Yb 0.50000000000000 0.50000000000000 0.50000000000000 173.054 > 17 23 Yb 0.50000000000000 0.00000000000000 0.12500000000000 173.054 > 19 24 Yb 0.50000000000000 0.00000000000000 0.62500000000000 173.054 > 19 25 S 0.17610403573318 0.92545943385598 0.09811995321465 32.065 > 25 26 S 0.17610403573318 0.92545943385598 0.59811995321465 32.065 > 25 27 S 0.42545943385598 0.17610403573318 0.47311995321465 32.065 > 27 28 S 0.42545943385598 0.17610403573318 0.97311995321465 32.065 > 27 29 S 0.32389596426682 0.92545943385598 0.27688004678535 32.065 > 29 30 S 0.32389596426682 0.92545943385598 0.77688004678535 32.065 > 29 31 S 0.07454056614402 0.32389596426682 0.22311995321465 32.065 > 31 32 S 0.07454056614402 0.32389596426682 0.72311995321465 32.065 > 31 33 S 0.42545943385598 0.32389596426682 0.15188004678535 32.065 > 33 34 S 0.42545943385598 0.32389596426682 0.65188004678535 32.065 > 33 35 S 0.32389596426682 0.57454056614402 0.34811995321465 32.065 > 35 36 S 0.32389596426682 0.57454056614402 0.84811995321465 32.065 > 35 37 S 0.07454056614402 0.17610403573318 0.40188004678535 32.065 > 37 38 S 0.07454056614402 0.17610403573318 0.90188004678535 32.065 > 37 39 S 0.17610403573318 0.57454056614402 0.02688004678535 32.065 > 39 40 S 0.17610403573318 0.57454056614402 0.52688004678535 32.065 > 39 41 S 0.67610403573318 0.42545943385598 0.34811995321465 32.065 > 25 42 S 0.67610403573318 0.42545943385598 0.84811995321465 32.065 > 25 43 S 0.92545943385598 0.67610403573318 0.22311995321465 32.065 > 27 44 S 0.92545943385598 0.67610403573318 0.72311995321465 32.065 > 27 45 S 0.82389596426682 0.42545943385598 0.02688004678535 32.065 > 29 46 S 0.82389596426682 0.42545943385598 0.52688004678535 32.065 > 29 47 S 0.57454056614402 0.82389596426682 0.47311995321465 32.065 > 31 48 S 0.57454056614402 0.82389596426682 0.97311995321465 32.065 > 31 49 S 0.92545943385598 0.82389596426682 0.40188004678535 32.065 > 33 50 S 0.92545943385598 0.82389596426682 0.90188004678535 32.065 > 33 51 S 0.82389596426682 0.07454056614402 0.09811995321465 32.065 > 35 52 S 0.82389596426682 0.07454056614402 0.59811995321465 32.065 > 35 53 S 0.57454056614402 0.67610403573318 0.15188004678535 32.065 > 37 54 S 0.57454056614402 0.67610403573318 0.65188004678535 32.065 > 37 55 S 0.67610403573318 0.07454056614402 0.27688004678535 32.065 > 39 56 S 0.67610403573318 0.07454056614402 0.77688004678535 32.065 > 39 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.3811991 0.0000000 0.0000000 0.0000000 8.3811991 0.0000000 0.0000000 0.0000000 8.3092480 -------------------------- Born effective charges -------------------------- 1 Tb 4.1038359 0.0000000 0.2690731 0.0000000 3.8212080 -0.0000000 0.2162292 0.0000000 3.7724748 2 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 -0.2690731 -0.0000000 -0.2162292 3.7724748 3 Tb 4.1038359 0.0000000 -0.2690731 0.0000000 3.8212080 -0.0000000 -0.2162292 0.0000000 3.7724748 4 Tb 3.8212080 0.0000000 0.0000000 0.0000000 4.1038359 0.2690731 -0.0000000 0.2162292 3.7724748 5 Yb 2.4547277 0.0817778 0.0000000 -0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 6 Yb 2.4547277 -0.0817778 0.0000000 0.0817778 2.4547277 -0.0000000 -0.0000000 0.0000000 2.7924999 7 S -2.3029841 -0.1555862 0.1720154 -0.1360436 -2.8869017 0.2375760 0.0602724 0.3799379 -2.5843624 8 S -2.8869017 -0.1360436 0.2375760 -0.1555862 -2.3029841 0.1720154 0.3799379 0.0602724 -2.5843624 9 S -2.3029841 0.1555862 0.1720154 0.1360436 -2.8869017 -0.2375760 0.0602724 -0.3799379 -2.5843624 10 S -2.8869017 -0.1360436 -0.2375760 -0.1555862 -2.3029841 -0.1720154 -0.3799379 -0.0602724 -2.5843624 11 S -2.8869017 0.1360436 -0.2375760 0.1555862 -2.3029841 0.1720154 -0.3799379 0.0602724 -2.5843624 12 S -2.3029841 -0.1555862 -0.1720154 -0.1360436 -2.8869017 -0.2375760 -0.0602724 -0.3799379 -2.5843624 13 S -2.8869017 0.1360436 0.2375760 0.1555862 -2.3029841 -0.1720154 0.3799379 -0.0602724 -2.5843624 14 S -2.3029841 0.1555862 -0.1720154 0.1360436 -2.8869017 0.2375760 -0.0602724 0.3799379 -2.5843624 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.64, Number of G-points: 321, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 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 2.105 ( -0.000 -0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.398 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.419 ( 0.000 0.000 0.000) 0.000 2.779 ( -0.000 0.000 0.000) 0.000 2.779 ( -0.000 -0.000 0.000) 0.000 2.898 ( -0.000 -0.000 0.000) 0.000 3.197 ( -0.000 -0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.601 ( -0.000 -0.000 0.000) 0.000 3.800 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 3.925 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 -0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.837 ( -0.000 0.000 0.000) 0.000 5.983 ( -0.000 -0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.046 ( -0.000 -0.000 0.000) 0.000 6.203 ( -0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.320 ( -0.000 0.000 0.000) 0.000 7.082 ( 0.000 -0.000 0.000) 0.000 7.082 ( 0.000 0.000 0.000) 0.000 7.300 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.980 ( -0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.728 ( 0.000 0.000 0.000) 0.000 9.016 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 0.000 0.000) 0.000 9.175 ( 0.000 -0.000 0.000) 0.000 9.483 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -0.000 15.189 17.831) 23.423 0.500 ( -0.000 18.300 17.703) 25.461 0.846 ( -0.000 27.371 33.619) 43.352 2.099 ( -0.000 -0.554 -0.264) 0.614 2.315 ( 0.000 -2.550 -2.790) 3.780 2.420 ( 0.000 0.222 -0.035) 0.225 2.434 ( 0.000 1.748 -0.920) 1.975 2.446 ( -0.000 -0.190 3.400) 3.405 2.773 ( 0.000 -0.508 -0.726) 0.886 2.790 ( 0.000 0.985 -1.798) 2.051 2.914 ( -0.000 -0.737 3.008) 3.097 3.118 ( 0.000 -2.487 -5.491) 6.028 3.399 ( -0.000 -4.138 -3.172) 5.213 3.461 ( 0.000 3.545 -6.552) 7.450 3.696 ( -0.000 -2.569 4.669) 5.329 3.792 ( -0.000 -5.387 6.970) 8.809 3.946 ( 0.000 -0.788 -1.276) 1.500 3.983 ( 0.000 4.621 1.099) 4.750 5.752 ( -0.000 -1.595 0.749) 1.762 5.828 ( 0.000 0.344 -0.206) 0.401 5.896 ( 0.000 3.582 -4.728) 5.932 6.008 ( 0.000 1.276 -0.138) 1.283 6.023 ( 0.000 0.116 -0.860) 0.868 6.137 ( 0.000 9.247 -6.681) 11.408 6.211 ( -0.000 -1.170 2.207) 2.498 6.282 ( -0.000 -0.359 2.028) 2.059 6.289 ( -0.000 0.662 2.233) 2.329 7.041 ( -0.000 -5.027 -0.003) 5.027 7.073 ( -0.000 -1.484 0.491) 1.563 7.227 ( -0.000 -5.099 -2.832) 5.833 7.412 ( 0.000 4.848 2.082) 5.276 7.640 ( -0.000 1.573 2.104) 2.627 7.710 ( 0.000 10.587 0.450) 10.596 7.998 ( 0.000 1.604 0.853) 1.817 8.365 ( 0.000 -0.353 -3.647) 3.664 8.496 ( -0.000 -0.189 2.134) 2.142 8.675 ( 0.000 -1.999 -4.584) 5.000 8.794 ( -0.000 -13.883 13.428) 19.315 9.011 ( 0.000 1.850 -2.603) 3.194 9.156 ( -0.000 -1.691 -1.037) 1.984 9.200 ( 0.000 1.221 -3.151) 3.380 9.478 ( 0.000 0.317 -1.064) 1.110 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -0.000 14.164 16.659) 21.866 0.965 ( -0.000 16.224 16.135) 22.881 1.621 ( -0.000 23.093 28.807) 36.921 2.084 ( -0.000 -0.962 -0.440) 1.058 2.252 ( 0.000 -1.658 -1.552) 2.271 2.411 ( 0.000 0.005 -1.849) 1.849 2.443 ( 0.000 0.693 -1.653) 1.792 2.483 ( -0.000 0.076 2.849) 2.850 2.727 ( 0.000 -1.603 -2.571) 3.030 2.781 ( 0.000 0.492 -0.423) 0.649 2.949 ( -0.000 -2.233 4.325) 4.867 3.050 ( 0.000 2.801 -4.848) 5.599 3.299 ( 0.000 -2.987 -3.031) 4.255 3.366 ( 0.000 -0.873 -8.781) 8.825 3.692 ( -0.000 -2.173 -1.065) 2.420 3.843 ( -0.000 -2.689 7.145) 7.635 3.910 ( -0.000 -2.889 -0.625) 2.955 4.049 ( 0.000 2.869 0.741) 2.963 5.724 ( -0.000 -4.193 0.690) 4.249 5.829 ( -0.000 -0.244 -0.110) 0.268 5.859 ( 0.000 -0.387 -3.016) 3.041 5.987 ( 0.000 0.124 -2.669) 2.672 6.046 ( 0.000 2.611 0.182) 2.618 6.213 ( -0.000 -0.791 1.000) 1.275 6.241 ( -0.000 4.202 5.034) 6.557 6.314 ( -0.000 0.383 4.081) 4.099 6.342 ( -0.000 1.522 3.106) 3.458 6.940 ( -0.000 -7.008 -1.903) 7.261 7.058 ( -0.000 -1.418 0.056) 1.419 7.141 ( -0.000 -2.437 -2.078) 3.203 7.536 ( 0.000 6.703 4.119) 7.868 7.711 ( -0.000 2.915 3.631) 4.657 7.867 ( 0.000 10.309 1.141) 10.372 8.035 ( 0.000 2.528 -0.080) 2.529 8.308 ( 0.000 -0.382 -3.128) 3.151 8.521 ( -0.000 -0.051 1.245) 1.246 8.565 ( 0.000 -2.335 -6.906) 7.290 8.767 ( -0.000 -12.594 9.126) 15.553 8.992 ( 0.000 2.724 -4.897) 5.604 9.109 ( -0.000 -2.556 -1.313) 2.874 9.169 ( 0.000 0.374 -2.779) 2.804 9.460 ( 0.000 -0.078 -1.993) 1.995 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -0.000 12.210 14.748) 19.146 1.364 ( -0.000 13.067 13.036) 18.458 2.028 ( -0.000 -2.264 -0.191) 2.272 2.142 ( -0.000 1.174 8.806) 8.884 2.269 ( 0.000 5.514 -0.726) 5.562 2.339 ( 0.000 -3.050 -3.562) 4.689 2.415 ( 0.000 2.315 0.555) 2.381 2.561 ( 0.000 5.267 2.774) 5.953 2.745 ( -0.000 3.333 4.067) 5.259 2.797 ( -0.000 0.962 2.915) 3.069 2.940 ( -0.000 -3.299 0.555) 3.346 3.047 ( 0.000 3.249 -1.534) 3.592 3.219 ( 0.000 -1.896 -7.166) 7.413 3.284 ( 0.000 1.457 0.374) 1.504 3.617 ( -0.000 -4.186 -2.798) 5.036 3.820 ( -0.000 -5.939 -4.568) 7.493 3.897 ( -0.000 -1.634 4.386) 4.680 4.081 ( 0.000 1.244 -0.012) 1.244 5.668 ( -0.000 -4.229 0.099) 4.230 5.808 ( 0.000 -0.321 -1.758) 1.787 5.829 ( 0.000 -0.679 -0.764) 1.022 5.955 ( 0.000 0.286 -1.901) 1.923 6.084 ( -0.000 0.071 1.933) 1.934 6.192 ( -0.000 -1.389 -0.397) 1.445 6.335 ( -0.000 -0.492 5.325) 5.348 6.401 ( 0.000 2.245 1.935) 2.964 6.452 ( -0.000 6.239 6.363) 8.912 6.831 ( -0.000 -5.141 -0.841) 5.209 7.025 ( 0.000 -1.111 -2.830) 3.040 7.097 ( 0.000 -1.130 -1.031) 1.530 7.696 ( -0.000 6.326 6.178) 8.842 7.806 ( -0.000 2.911 4.170) 5.086 7.985 ( 0.000 2.756 0.743) 2.854 8.061 ( 0.000 4.508 -1.668) 4.807 8.298 ( 0.000 2.418 0.044) 2.418 8.416 ( 0.000 -2.779 -7.931) 8.404 8.541 ( 0.000 0.825 -0.547) 0.990 8.704 ( -0.000 -12.235 6.582) 13.893 8.947 ( 0.000 0.998 -5.317) 5.410 9.066 ( -0.000 -1.188 -0.935) 1.511 9.144 ( 0.000 0.860 -1.858) 2.048 9.423 ( 0.000 -0.797 -2.310) 2.443 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -0.000 6.921 8.715) 11.129 1.657 ( -0.000 8.118 7.688) 11.181 1.963 ( -0.000 -2.780 -1.162) 3.013 2.059 ( 0.000 -6.697 -7.777) 10.263 2.243 ( -0.000 -0.661 1.377) 1.528 2.314 ( 0.000 -0.481 -1.583) 1.654 2.533 ( 0.000 5.137 3.077) 5.988 2.632 ( 0.000 2.147 -0.449) 2.194 2.735 ( -0.000 -3.127 -2.309) 3.888 2.881 ( -0.000 1.006 1.934) 2.180 3.035 ( -0.000 2.181 4.792) 5.265 3.045 ( 0.000 -1.286 -2.459) 2.775 3.220 ( 0.000 9.551 7.750) 12.300 3.331 ( 0.000 2.194 0.706) 2.305 3.530 ( -0.000 -2.679 -1.885) 3.276 3.612 ( -0.000 -9.775 -8.858) 13.191 3.922 ( -0.000 -0.588 1.526) 1.635 4.089 ( 0.000 0.354 -0.190) 0.401 5.626 ( -0.000 -1.634 -0.046) 1.634 5.789 ( -0.000 -0.373 -0.330) 0.498 5.811 ( 0.000 -0.092 -0.832) 0.837 5.945 ( 0.000 0.205 -0.366) 0.420 6.091 ( -0.000 -0.955 0.574) 1.114 6.181 ( -0.000 0.005 0.024) 0.024 6.392 ( -0.000 -0.508 3.705) 3.740 6.434 ( 0.000 1.160 -0.645) 1.327 6.576 ( 0.000 2.378 1.630) 2.882 6.820 ( -0.000 -0.041 4.879) 4.879 6.946 ( 0.000 -1.452 -5.866) 6.042 7.079 ( -0.000 -0.501 -0.154) 0.524 7.849 ( 0.000 4.743 3.423) 5.849 7.888 ( -0.000 -0.404 4.260) 4.279 7.980 ( 0.000 0.238 -1.093) 1.119 8.101 ( 0.000 1.815 -0.268) 1.834 8.242 ( 0.000 -2.424 -5.998) 6.469 8.416 ( 0.000 5.315 3.334) 6.274 8.518 ( 0.000 -0.686 -3.878) 3.938 8.632 ( -0.000 -7.164 3.431) 7.943 8.896 ( 0.000 -0.036 -2.277) 2.278 9.049 ( 0.000 -0.100 -0.414) 0.426 9.140 ( 0.000 0.635 -0.532) 0.829 9.386 ( 0.000 -0.617 -1.152) 1.307 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 9.697 9.697 18.759) 23.237 0.824 ( 10.318 10.318 18.367) 23.458 1.449 ( 13.438 13.438 35.236) 40.034 2.092 ( -0.105 -0.105 -0.600) 0.618 2.265 ( -1.795 -1.795 -2.292) 3.420 2.416 ( 0.372 0.372 -1.192) 1.303 2.428 ( 1.377 1.377 -1.491) 2.453 2.493 ( 0.057 0.057 3.489) 3.490 2.713 ( -3.988 -3.988 -2.348) 6.110 2.799 ( 1.905 1.905 -1.132) 2.923 2.964 ( -0.971 -0.971 4.668) 4.866 3.036 ( 1.612 1.612 -5.993) 6.412 3.316 ( -2.299 -2.299 -5.636) 6.507 3.369 ( 0.509 0.509 -7.934) 7.967 3.709 ( -1.504 -1.504 -0.211) 2.138 3.860 ( -2.805 -2.805 6.289) 7.436 3.952 ( 0.068 0.068 -0.415) 0.426 4.011 ( 1.719 1.719 1.684) 2.958 5.769 ( -1.021 -1.021 2.021) 2.484 5.789 ( -1.885 -1.885 -0.850) 2.799 5.880 ( -0.471 -0.471 -0.704) 0.970 5.980 ( -0.709 -0.709 -3.172) 3.327 6.031 ( 2.379 2.379 0.233) 3.372 6.185 ( 4.171 4.171 5.316) 7.941 6.235 ( -2.186 -2.186 3.184) 4.438 6.321 ( -0.302 -0.302 3.782) 3.806 6.324 ( 0.404 0.404 2.209) 2.281 7.021 ( -3.523 -3.523 -0.125) 4.983 7.040 ( -2.705 -2.705 -2.079) 4.354 7.162 ( -1.225 -1.225 -3.598) 3.993 7.475 ( 2.485 2.485 5.691) 6.689 7.739 ( 4.026 4.026 2.348) 6.159 7.753 ( 5.987 5.987 3.501) 9.163 8.018 ( 1.713 1.713 -0.169) 2.428 8.313 ( -0.208 -0.208 -3.210) 3.223 8.523 ( 0.162 0.162 1.522) 1.539 8.578 ( 0.104 0.104 -9.126) 9.127 8.866 ( -4.475 -4.475 4.938) 8.027 8.982 ( -0.515 -0.515 -1.967) 2.097 9.132 ( -0.897 -0.897 -1.839) 2.234 9.161 ( 0.176 0.176 -3.023) 3.034 9.447 ( -1.754 -1.754 -1.007) 2.677 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 7.316 9.554 17.126) 20.931 1.220 ( 4.729 12.133 15.780) 20.459 2.035 ( 5.693 7.721 16.868) 19.405 2.087 ( 0.818 3.558 4.529) 5.817 2.218 ( -1.729 -1.008 -1.280) 2.376 2.384 ( 1.931 -1.500 -3.715) 4.448 2.423 ( 0.052 1.139 -1.609) 1.972 2.535 ( 1.776 -0.908 3.291) 3.848 2.648 ( -6.561 0.551 0.328) 6.592 2.822 ( 3.683 2.152 2.266) 4.831 2.997 ( 2.054 -0.812 -2.602) 3.413 3.004 ( -0.110 1.460 0.684) 1.616 3.217 ( -2.064 -0.318 -6.343) 6.678 3.280 ( 0.959 0.267 -3.578) 3.713 3.659 ( -1.491 -3.244 -2.207) 4.198 3.877 ( -1.105 -3.031 0.091) 3.227 3.926 ( 1.009 -1.501 -0.393) 1.851 4.055 ( -1.077 0.840 1.584) 2.092 5.726 ( -1.215 -4.950 0.018) 5.097 5.793 ( -2.332 -0.624 1.321) 2.752 5.852 ( -0.053 -1.660 -0.899) 1.888 5.933 ( -2.307 -0.247 -2.336) 3.292 6.084 ( 1.189 1.289 3.096) 3.558 6.224 ( -0.643 -3.791 1.394) 4.090 6.309 ( -2.076 1.820 4.195) 5.022 6.372 ( -0.677 0.043 3.596) 3.660 6.397 ( 2.159 4.305 5.999) 7.693 6.914 ( 0.346 -6.343 -2.411) 6.794 6.999 ( -5.155 -0.452 -2.387) 5.699 7.113 ( 0.212 -0.696 -2.476) 2.580 7.622 ( 1.724 5.185 7.686) 9.430 7.813 ( 4.966 1.834 4.124) 6.711 7.921 ( 3.273 8.864 3.385) 10.037 8.025 ( 1.307 2.374 -2.841) 3.926 8.286 ( 0.747 0.477 -0.718) 1.141 8.442 ( 0.921 0.046 -10.691) 10.731 8.540 ( 0.457 0.268 0.393) 0.660 8.842 ( -2.124 -7.912 4.137) 9.178 8.937 ( 0.411 -0.071 -3.949) 3.971 9.089 ( 0.044 -1.677 -1.419) 2.197 9.127 ( -0.676 0.576 -2.317) 2.482 9.407 ( -3.298 -1.280 -1.879) 4.006 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 4.426 7.948 13.232) 16.057 1.554 ( 2.954 9.128 11.859) 15.254 2.016 ( 1.403 -2.826 -2.486) 4.017 2.148 ( -0.410 -4.759 -4.984) 6.903 2.257 ( 0.296 -1.731 -1.145) 2.096 2.315 ( -0.926 -0.805 -0.244) 1.251 2.475 ( 2.728 5.352 2.794) 6.625 2.587 ( 0.184 3.664 1.268) 3.882 2.706 ( -5.004 1.348 0.781) 5.241 2.902 ( 2.090 -1.796 -3.196) 4.220 2.999 ( 3.086 4.245 7.951) 9.527 3.060 ( 1.756 3.690 4.568) 6.129 3.136 ( 0.662 3.052 -3.031) 4.351 3.300 ( 0.117 1.990 1.914) 2.764 3.573 ( -1.473 -4.385 -2.264) 5.150 3.749 ( 1.313 -8.245 -6.957) 10.867 3.916 ( -1.053 0.584 -1.333) 1.797 4.076 ( -1.597 -0.355 1.227) 2.045 5.662 ( -1.018 -4.081 -0.080) 4.207 5.797 ( -1.052 -1.584 1.861) 2.660 5.815 ( -0.246 -1.282 -1.361) 1.886 5.917 ( -3.708 -0.153 0.081) 3.712 6.123 ( 0.494 -2.292 2.791) 3.645 6.189 ( 0.094 -1.629 -0.022) 1.632 6.367 ( -3.786 1.489 1.388) 4.298 6.408 ( -1.522 -0.623 2.359) 2.876 6.548 ( 1.984 3.619 5.379) 6.780 6.838 ( 0.184 -2.166 1.307) 2.536 6.946 ( -2.394 -1.003 -4.453) 5.154 7.070 ( -1.760 -0.666 -2.105) 2.823 7.798 ( 2.337 5.078 6.461) 8.544 7.896 ( 2.827 1.343 4.864) 5.784 7.992 ( 1.963 0.927 -2.063) 2.995 8.064 ( 2.922 6.482 -1.669) 7.304 8.271 ( 1.786 -0.264 -6.074) 6.337 8.352 ( 1.163 4.287 -1.182) 4.597 8.533 ( 1.265 -0.580 -1.322) 1.920 8.768 ( -0.877 -10.437 3.659) 11.095 8.884 ( -0.274 0.736 -3.929) 4.006 9.061 ( 0.437 -1.021 0.074) 1.113 9.120 ( -0.813 1.146 -0.545) 1.508 9.365 ( -3.993 -0.728 -1.975) 4.514 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 2.709 -1.658 -0.139) 3.179 1.738 ( 1.885 -1.250 1.392) 2.656 1.970 ( 1.990 -1.447 -2.052) 3.204 2.008 ( 2.176 1.105 2.253) 3.322 2.236 ( -0.419 0.275 -1.964) 2.027 2.307 ( -1.056 -0.691 1.733) 2.144 2.560 ( -0.453 1.805 0.147) 1.867 2.640 ( -1.465 1.219 0.883) 2.101 2.691 ( 0.431 0.182 -0.887) 1.003 2.865 ( -2.141 0.770 -0.947) 2.465 3.029 ( 2.934 2.104 -2.694) 4.504 3.080 ( 2.565 0.835 -0.335) 2.719 3.323 ( 0.343 -1.754 -2.212) 2.844 3.366 ( 2.002 -0.523 5.788) 6.147 3.514 ( -0.617 0.172 0.417) 0.764 3.536 ( 1.194 -2.465 0.145) 2.742 3.899 ( -1.304 1.836 -3.609) 4.254 4.083 ( -1.693 -0.686 0.980) 2.073 5.623 ( -0.640 -1.586 0.137) 1.716 5.786 ( -1.143 -0.924 -0.205) 1.484 5.810 ( -0.619 -0.835 2.233) 2.463 5.922 ( -3.767 -0.612 1.332) 4.042 6.107 ( 0.850 -2.259 0.650) 2.500 6.183 ( -0.454 -0.495 0.357) 0.760 6.367 ( -2.630 0.774 -3.588) 4.515 6.425 ( -3.128 -1.333 1.778) 3.837 6.609 ( 2.167 -0.478 1.313) 2.578 6.836 ( -0.237 -2.113 -5.087) 5.514 6.912 ( -0.875 2.094 4.685) 5.206 7.048 ( -3.212 0.504 -0.718) 3.329 7.880 ( 2.013 2.044 -1.431) 3.206 7.920 ( 1.645 -3.236 -2.740) 4.548 8.005 ( 3.799 1.383 0.750) 4.112 8.096 ( 1.165 3.794 -0.213) 3.975 8.229 ( 3.326 1.974 0.858) 3.962 8.430 ( 0.824 6.411 -3.819) 7.507 8.497 ( 1.964 -0.956 0.401) 2.221 8.673 ( 0.376 -9.088 2.269) 9.374 8.872 ( -1.239 2.133 -0.218) 2.476 9.060 ( 0.601 -0.967 1.513) 1.894 9.134 ( -0.986 0.311 0.744) 1.274 9.347 ( -4.231 0.718 -0.231) 4.298 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 4.632 -11.456 -10.349) 16.118 1.556 ( 2.878 -11.817 -9.478) 15.419 1.994 ( 1.632 3.790 1.203) 4.298 2.129 ( 0.320 2.253 -0.605) 2.355 2.252 ( 0.662 4.610 4.527) 6.495 2.330 ( -1.409 -1.395 2.160) 2.933 2.510 ( 2.087 -4.415 -2.360) 5.423 2.638 ( -1.347 -3.525 0.490) 3.805 2.694 ( -3.956 -1.264 -2.921) 5.077 2.877 ( 4.393 2.153 -2.228) 5.375 2.955 ( 2.451 -5.648 -6.995) 9.319 3.076 ( 1.311 -0.504 0.529) 1.501 3.198 ( -0.146 0.095 1.853) 1.861 3.310 ( -0.634 -3.732 -1.498) 4.071 3.555 ( -1.157 3.618 2.842) 4.744 3.739 ( 1.502 6.959 7.384) 10.257 3.870 ( -0.567 2.398 -4.726) 5.330 4.083 ( -1.737 -0.870 0.381) 1.980 5.624 ( -0.616 1.422 0.150) 1.557 5.782 ( -2.869 -0.271 0.513) 2.927 5.834 ( 0.216 -0.096 2.096) 2.109 5.940 ( -2.920 -0.787 2.935) 4.214 6.093 ( 0.517 -0.824 0.146) 0.984 6.180 ( -0.961 -0.176 0.070) 0.979 6.314 ( -1.621 0.630 -4.894) 5.194 6.405 ( -3.393 -2.059 -1.382) 4.203 6.553 ( 1.918 -6.148 -3.715) 7.435 6.784 ( 1.095 2.724 -0.781) 3.038 6.989 ( -2.767 0.654 2.440) 3.746 7.069 ( -1.268 2.298 0.630) 2.699 7.778 ( 0.553 -5.197 -6.666) 8.470 7.865 ( 2.210 -1.361 -1.711) 3.109 8.015 ( 3.535 0.038 -0.050) 3.536 8.132 ( 4.435 -0.352 0.518) 4.479 8.313 ( -0.596 1.289 2.143) 2.571 8.396 ( 2.408 1.723 -0.180) 2.967 8.551 ( 0.143 5.473 -1.249) 5.616 8.596 ( 1.289 -3.252 -0.946) 3.624 8.932 ( -0.628 3.229 3.070) 4.499 9.071 ( 0.572 -1.396 2.343) 2.786 9.145 ( -1.303 -0.554 1.352) 1.958 9.377 ( -4.146 1.609 1.826) 4.808 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 7.622 -14.798 -11.613) 20.296 1.219 ( 4.854 -15.412 -12.492) 20.425 1.961 ( 6.499 -14.364 -14.408) 21.358 2.068 ( 0.773 2.255 -0.488) 2.433 2.247 ( -2.075 -5.642 -0.816) 6.067 2.413 ( 0.406 3.538 4.330) 5.606 2.441 ( 2.959 -0.778 0.620) 3.122 2.521 ( 1.106 -4.093 -3.219) 5.324 2.646 ( -7.475 0.123 -0.107) 7.476 2.831 ( 3.931 -0.881 0.056) 4.029 2.924 ( 1.193 2.080 -2.652) 3.576 3.100 ( 1.675 -1.706 3.924) 4.595 3.255 ( -1.621 0.373 -0.115) 1.668 3.316 ( -1.913 4.871 5.895) 7.882 3.649 ( -0.830 3.528 2.795) 4.577 3.803 ( -1.383 1.401 -5.396) 5.744 3.889 ( 2.738 3.536 0.997) 4.582 4.068 ( -1.583 -1.419 -0.297) 2.146 5.661 ( -0.846 3.799 -0.168) 3.895 5.781 ( -4.611 -0.272 -0.378) 4.634 5.870 ( 0.687 1.027 2.529) 2.815 5.978 ( -1.635 -0.826 3.668) 4.100 6.086 ( 0.813 -1.480 1.461) 2.233 6.179 ( -2.652 0.837 -1.120) 2.998 6.268 ( -0.134 0.476 -2.828) 2.871 6.337 ( -2.534 -2.646 -4.027) 5.444 6.399 ( 2.986 -6.210 -4.038) 7.987 6.858 ( 0.826 5.431 2.172) 5.908 7.012 ( -3.423 0.929 0.071) 3.548 7.106 ( -0.398 2.522 -0.115) 2.556 7.617 ( -1.017 -6.941 -4.586) 8.381 7.815 ( 6.247 -3.212 -0.865) 7.077 7.991 ( 2.260 -3.959 -0.402) 4.576 8.094 ( 2.952 -4.604 -0.415) 5.485 8.312 ( 0.310 -0.489 2.220) 2.294 8.505 ( 0.738 5.749 3.037) 6.543 8.540 ( 1.250 -0.707 -2.366) 2.767 8.605 ( -0.651 8.521 -5.593) 10.214 9.021 ( 0.407 1.970 4.045) 4.518 9.084 ( 0.440 -0.575 1.834) 1.972 9.164 ( -1.204 -0.134 2.297) 2.597 9.423 ( -4.294 0.787 2.079) 4.835 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 12.240 -16.646 -9.671) 22.813 0.820 ( 8.620 -17.973 -12.073) 23.305 1.382 ( 14.407 -30.945 -17.545) 38.379 2.090 ( 0.319 0.727 0.033) 0.795 2.253 ( -2.752 3.372 1.170) 4.507 2.428 ( 1.345 -0.362 -0.235) 1.412 2.457 ( 0.963 -0.542 -1.738) 2.060 2.475 ( 1.463 -2.470 1.287) 3.146 2.689 ( -7.065 3.556 1.532) 8.056 2.837 ( 3.294 -0.617 1.399) 3.632 2.904 ( 0.427 0.594 -2.368) 2.479 3.111 ( 1.080 -1.513 2.383) 3.022 3.313 ( -2.403 5.213 1.371) 5.901 3.474 ( -2.022 2.830 8.628) 9.303 3.693 ( 0.217 -0.071 -0.560) 0.604 3.723 ( -1.103 0.871 -7.969) 8.092 3.932 ( 1.833 2.845 0.023) 3.384 4.034 ( -0.576 -2.779 -0.573) 2.896 5.712 ( -0.676 3.983 -0.478) 4.068 5.770 ( -5.245 0.401 -0.818) 5.323 5.918 ( -0.641 0.308 2.303) 2.410 6.007 ( 0.339 0.541 1.633) 1.753 6.087 ( 2.094 -3.797 1.915) 4.740 6.174 ( -2.579 1.718 -1.641) 3.507 6.234 ( 0.754 -3.323 2.031) 3.966 6.264 ( -1.219 0.565 -2.878) 3.176 6.318 ( 1.996 -2.057 -0.339) 2.886 6.959 ( -0.796 4.985 1.171) 5.182 7.027 ( -2.427 2.115 -0.378) 3.241 7.147 ( -1.719 3.957 0.347) 4.328 7.475 ( -1.519 -6.456 -2.652) 7.143 7.761 ( 10.344 -3.300 -0.277) 10.861 7.888 ( 2.123 -12.086 1.569) 12.371 8.032 ( 0.982 -1.932 -1.578) 2.681 8.360 ( 0.392 0.326 3.914) 3.947 8.498 ( 0.727 -0.211 -2.553) 2.663 8.585 ( -0.527 10.336 -8.318) 13.277 8.653 ( -1.443 4.158 0.348) 4.415 9.063 ( 1.542 -2.769 3.071) 4.414 9.121 ( -0.334 3.113 0.686) 3.205 9.201 ( -0.355 0.474 2.587) 2.654 9.449 ( -4.402 -0.114 1.088) 4.536 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 16.805 -16.805 0.000) 23.766 0.479 ( 17.296 -17.296 0.000) 24.460 0.802 ( 29.088 -29.088 0.000) 41.137 2.097 ( -0.392 0.392 -0.000) 0.555 2.319 ( -3.432 3.432 -0.000) 4.854 2.407 ( 0.915 -0.915 0.000) 1.295 2.441 ( 0.685 -0.685 0.000) 0.969 2.448 ( 1.966 -1.966 0.000) 2.780 2.746 ( -3.055 3.055 -0.000) 4.321 2.833 ( 1.807 -1.807 0.000) 2.555 2.891 ( -0.314 0.314 -0.000) 0.445 3.139 ( -1.993 1.993 -0.000) 2.818 3.391 ( -4.046 4.046 -0.000) 5.722 3.550 ( 4.753 -4.753 0.000) 6.722 3.655 ( 2.646 -2.646 0.000) 3.742 3.684 ( -6.456 6.456 -0.000) 9.131 3.967 ( -1.053 1.053 -0.000) 1.489 3.988 ( 2.544 -2.544 0.000) 3.597 5.742 ( -1.028 1.028 -0.000) 1.453 5.789 ( -3.254 3.254 -0.000) 4.601 5.933 ( -0.174 0.174 -0.000) 0.246 6.034 ( 3.423 -3.423 0.000) 4.840 6.037 ( -0.608 0.608 -0.000) 0.860 6.186 ( -1.346 1.346 -0.000) 1.903 6.251 ( -0.992 0.992 -0.000) 1.403 6.254 ( 0.065 -0.065 0.000) 0.091 6.319 ( 0.321 -0.321 0.000) 0.455 7.011 ( -2.636 2.636 -0.000) 3.728 7.057 ( -1.736 1.736 -0.000) 2.454 7.217 ( -4.447 4.447 -0.000) 6.288 7.393 ( 1.761 -1.761 0.000) 2.490 7.727 ( 7.307 -7.307 0.000) 10.334 7.727 ( 6.531 -6.531 0.000) 9.236 8.001 ( 1.224 -1.224 0.000) 1.731 8.397 ( 0.106 -0.106 0.000) 0.150 8.475 ( -0.178 0.178 -0.000) 0.252 8.593 ( -3.674 3.674 -0.000) 5.196 8.702 ( -1.775 1.775 -0.000) 2.510 9.051 ( 2.131 -2.131 0.000) 3.014 9.158 ( -1.261 1.261 -0.000) 1.783 9.232 ( -0.304 0.304 -0.000) 0.430 9.460 ( -1.610 1.610 -0.000) 2.277 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 6.752 6.752 12.289) 15.563 1.505 ( 7.114 7.114 15.445) 18.432 2.053 ( 0.206 0.206 -3.006) 3.020 2.159 ( -1.840 -1.840 -1.827) 3.179 2.286 ( 0.643 0.643 4.034) 4.136 2.322 ( -1.826 -1.826 -6.278) 6.789 2.449 ( 3.872 3.872 1.377) 5.646 2.576 ( -1.405 -1.405 0.906) 2.184 2.638 ( 1.616 1.616 4.101) 4.695 2.934 ( -1.179 -1.179 -6.326) 6.542 3.004 ( 6.515 6.515 15.447) 17.986 3.031 ( 2.461 2.461 0.106) 3.482 3.121 ( 0.349 0.349 -5.826) 5.847 3.288 ( 1.158 1.158 2.074) 2.643 3.594 ( -3.355 -3.355 -2.309) 5.277 3.839 ( -2.029 -2.029 -3.880) 4.825 3.883 ( -0.482 -0.482 -5.179) 5.224 4.066 ( -1.740 -1.740 2.431) 3.459 5.687 ( -3.301 -3.301 -0.422) 4.687 5.799 ( -1.130 -1.130 1.471) 2.172 5.838 ( -1.791 -1.791 0.681) 2.623 5.875 ( -2.646 -2.646 -0.240) 3.750 6.141 ( -0.103 -0.103 3.445) 3.448 6.227 ( -2.563 -2.563 1.218) 3.823 6.300 ( -1.054 -1.054 0.209) 1.505 6.404 ( -1.601 -1.601 2.962) 3.728 6.536 ( 3.346 3.346 7.334) 8.728 6.864 ( -1.084 -1.084 -4.179) 4.451 6.926 ( -2.469 -2.469 0.510) 3.529 7.062 ( -1.317 -1.317 -3.966) 4.381 7.778 ( 4.353 4.353 8.284) 10.321 7.917 ( 2.009 2.009 3.759) 4.712 8.000 ( 2.206 2.206 -3.350) 4.577 8.024 ( 6.354 6.354 -0.356) 8.993 8.299 ( 1.110 1.110 0.091) 1.573 8.324 ( 2.964 2.964 -8.756) 9.708 8.550 ( 0.671 0.671 -0.026) 0.949 8.829 ( -3.418 -3.418 -0.077) 4.834 8.888 ( -2.080 -2.080 -1.781) 3.438 9.078 ( -0.125 -0.125 0.007) 0.177 9.102 ( 0.169 0.169 -0.491) 0.546 9.332 ( -3.579 -3.579 -1.991) 5.439 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 3.263 3.382 5.456) 7.201 1.760 ( 3.565 2.865 8.960) 10.059 2.007 ( 2.542 0.159 -1.536) 2.974 2.085 ( 1.481 -4.097 -4.072) 5.963 2.220 ( -1.017 -0.056 -3.723) 3.859 2.305 ( -1.311 -0.979 0.736) 1.794 2.509 ( -0.730 2.539 1.121) 2.870 2.586 ( -3.090 0.021 0.807) 3.194 2.709 ( 3.769 3.139 1.315) 5.078 2.843 ( -0.295 0.033 -3.910) 3.921 3.048 ( 3.246 1.351 -3.246) 4.785 3.078 ( 1.370 3.101 -1.923) 3.898 3.333 ( 2.001 1.583 5.072) 5.677 3.347 ( 3.766 5.984 13.105) 14.890 3.520 ( -2.188 -2.835 -1.172) 3.768 3.673 ( 2.474 -9.353 -7.632) 12.323 3.827 ( -4.413 3.028 -6.035) 8.067 4.070 ( -2.278 -1.590 1.553) 3.183 5.640 ( -1.941 -3.026 0.078) 3.596 5.780 ( -1.321 -0.897 -1.906) 2.486 5.823 ( -1.137 -2.683 2.858) 4.082 5.875 ( -4.863 -1.820 3.541) 6.285 6.157 ( -0.019 -2.497 0.890) 2.651 6.189 ( -0.574 -2.477 0.055) 2.544 6.303 ( -4.147 0.869 -1.073) 4.370 6.405 ( -3.331 -2.451 1.359) 4.354 6.648 ( 3.205 0.685 4.134) 5.276 6.828 ( -0.913 1.766 -2.391) 3.109 6.911 ( 0.279 -2.367 1.877) 3.034 6.993 ( -4.102 -0.367 -2.655) 4.899 7.897 ( 4.114 1.818 -1.184) 4.652 7.951 ( 0.606 1.669 -3.097) 3.570 8.024 ( 4.269 2.795 2.436) 5.655 8.061 ( 2.429 4.601 -0.623) 5.240 8.277 ( 5.895 0.741 -1.671) 6.172 8.352 ( 1.756 7.074 -2.351) 7.659 8.553 ( 2.751 -0.755 0.222) 2.861 8.771 ( -2.589 -4.197 -0.128) 4.933 8.838 ( -1.559 -2.427 -0.190) 2.891 9.087 ( 1.190 -0.753 2.113) 2.539 9.117 ( -0.292 0.472 1.307) 1.420 9.271 ( -6.239 -1.313 -1.369) 6.521 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 4.042 -6.742 -5.181) 9.415 1.737 ( 2.665 -7.793 -5.124) 9.700 1.986 ( 3.125 0.956 -1.421) 3.564 2.110 ( 2.110 2.936 4.247) 5.578 2.205 ( -0.045 3.214 -0.643) 3.278 2.320 ( -1.993 -0.248 3.053) 3.654 2.539 ( -1.702 -0.001 0.090) 1.705 2.577 ( -4.673 -0.559 -0.787) 4.771 2.749 ( 5.021 -0.075 0.979) 5.116 2.859 ( 1.288 4.026 1.256) 4.410 3.022 ( 2.705 1.861 -3.911) 5.106 3.103 ( 1.420 2.499 -0.898) 3.011 3.276 ( 3.020 -8.234 -7.450) 11.507 3.394 ( 1.311 -8.557 -0.897) 8.703 3.493 ( -2.412 1.272 0.739) 2.825 3.678 ( 2.811 6.469 8.859) 11.324 3.799 ( -3.680 4.185 -4.727) 7.308 4.066 ( -2.410 -1.142 0.518) 2.717 5.612 ( -1.258 -1.356 0.235) 1.865 5.745 ( -3.450 -0.860 -1.260) 3.773 5.836 ( -0.940 -1.262 2.580) 3.022 5.908 ( -3.730 -1.494 4.717) 6.196 6.119 ( 0.150 -2.142 -0.305) 2.168 6.165 ( -2.411 -1.132 -1.008) 2.848 6.280 ( -2.470 0.013 -2.562) 3.558 6.377 ( -4.614 -2.375 -0.690) 5.235 6.662 ( 3.561 -4.188 0.261) 5.503 6.786 ( 1.773 0.423 -2.299) 2.934 6.944 ( -2.284 0.691 1.927) 3.067 7.003 ( -3.030 2.625 1.413) 4.251 7.836 ( 1.485 -0.861 -7.293) 7.492 7.890 ( 0.560 -0.647 -3.167) 3.281 8.078 ( 5.731 1.555 0.110) 5.939 8.166 ( 4.469 4.368 3.449) 7.137 8.291 ( 2.071 1.717 0.722) 2.785 8.386 ( 3.595 6.225 -5.330) 8.949 8.538 ( 2.964 -1.469 0.182) 3.313 8.705 ( 0.158 -7.564 1.897) 7.800 8.854 ( -2.112 4.031 0.982) 4.656 9.106 ( 0.382 -2.049 2.766) 3.463 9.130 ( -1.152 -0.445 1.263) 1.766 9.279 ( -6.237 1.911 1.656) 6.730 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 7.941 -12.076 -7.602) 16.330 1.491 ( 6.413 -12.879 -8.885) 16.910 2.020 ( 0.462 4.616 -0.695) 4.691 2.104 ( 2.337 -0.978 -3.269) 4.136 2.318 ( -1.301 3.213 3.801) 5.144 2.346 ( -1.194 -1.697 2.416) 3.185 2.520 ( 1.403 -1.902 -0.402) 2.397 2.557 ( -4.193 -0.865 -1.189) 4.443 2.680 ( 6.405 -10.657 -3.675) 12.966 2.905 ( 4.307 -0.373 -2.641) 5.066 2.930 ( 2.477 -1.822 -2.203) 3.783 3.107 ( 1.155 2.516 1.155) 3.000 3.197 ( -3.822 5.189 0.949) 6.514 3.292 ( 0.871 -6.101 -0.307) 6.171 3.573 ( -1.621 5.284 2.385) 6.020 3.749 ( -3.991 2.553 -4.029) 6.219 3.877 ( 3.158 4.251 3.497) 6.346 4.052 ( -2.531 -0.913 -0.294) 2.706 5.611 ( -1.405 1.002 -0.036) 1.726 5.721 ( -5.150 -0.661 -1.003) 5.288 5.857 ( -0.153 0.500 1.500) 1.589 5.961 ( -2.854 -0.829 5.045) 5.856 6.102 ( -0.750 -0.895 0.410) 1.238 6.129 ( -3.709 -0.564 -1.637) 4.093 6.253 ( -0.702 0.513 -1.785) 1.986 6.321 ( -3.892 -1.962 -3.008) 5.296 6.553 ( 5.012 -7.611 -2.067) 9.344 6.823 ( 2.393 3.339 2.194) 4.657 6.959 ( -3.157 -0.001 0.297) 3.171 7.057 ( -1.263 3.086 -0.268) 3.345 7.701 ( 0.550 -5.437 -5.629) 7.845 7.876 ( -0.369 0.616 0.853) 1.115 8.075 ( 7.571 0.203 -2.135) 7.869 8.212 ( 5.132 -2.250 -0.679) 5.645 8.306 ( 0.867 2.859 -0.026) 2.988 8.442 ( 2.744 5.939 -0.785) 6.589 8.521 ( 0.140 0.738 -0.703) 1.029 8.626 ( 2.021 -6.449 0.639) 6.789 8.945 ( -1.518 6.591 0.909) 6.824 9.106 ( -2.883 -1.456 1.423) 3.529 9.156 ( 0.801 -0.803 3.402) 3.586 9.337 ( -5.434 1.617 2.427) 6.167 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 12.091 -14.591 -6.024) 19.884 1.179 ( 10.361 -15.358 -7.531) 19.998 1.945 ( 13.178 -16.636 -7.346) 22.459 2.082 ( 1.607 3.149 -0.162) 3.539 2.204 ( -1.686 -6.714 -1.077) 7.005 2.438 ( -0.548 4.291 0.353) 4.340 2.487 ( 1.057 -0.235 -0.508) 1.196 2.521 ( 0.137 -1.410 0.506) 1.504 2.556 ( -2.471 -3.002 0.251) 3.896 2.883 ( 2.421 -0.559 0.821) 2.617 2.913 ( 1.387 0.090 -1.475) 2.026 3.172 ( 2.282 -0.608 1.994) 3.091 3.219 ( -2.174 1.241 -0.938) 2.673 3.337 ( -5.463 7.169 4.348) 10.007 3.665 ( -0.572 4.189 0.395) 4.246 3.715 ( -2.393 -0.133 -2.947) 3.798 3.932 ( 2.385 1.371 -0.247) 2.762 4.039 ( -1.778 -0.685 -0.014) 1.905 5.638 ( -2.029 3.248 -0.270) 3.839 5.701 ( -4.943 -0.149 -0.837) 5.016 5.890 ( -0.574 1.824 0.569) 1.995 6.005 ( -1.521 -1.119 3.010) 3.553 6.093 ( -3.816 2.114 -1.550) 4.630 6.139 ( -0.505 -0.965 3.187) 3.368 6.236 ( -0.974 0.642 -2.287) 2.567 6.257 ( -1.477 -0.969 -2.743) 3.263 6.437 ( 6.173 -6.907 0.145) 9.265 6.904 ( 1.235 3.411 2.048) 4.166 6.966 ( -2.925 1.256 0.079) 3.184 7.081 ( -1.613 2.555 -1.198) 3.250 7.557 ( 0.672 -6.189 -3.363) 7.076 7.910 ( 2.679 -1.035 3.593) 4.599 8.033 ( 6.495 -0.999 -2.589) 7.063 8.121 ( 3.247 -8.554 -0.930) 9.197 8.366 ( 1.893 1.730 2.988) 3.937 8.457 ( -0.042 5.842 -6.052) 8.412 8.544 ( 2.311 -3.371 -1.500) 4.354 8.583 ( -1.405 3.230 1.775) 3.945 9.040 ( -1.219 5.857 0.323) 5.991 9.107 ( -2.404 -1.093 1.073) 2.850 9.195 ( 1.038 -0.081 3.004) 3.179 9.377 ( -5.015 0.706 1.282) 5.224 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 15.370 -15.370 0.000) 21.736 0.924 ( 15.398 -15.398 0.000) 21.776 1.554 ( 25.903 -25.903 0.000) 36.633 2.094 ( 0.253 -0.253 0.000) 0.357 2.210 ( -4.077 4.077 -0.000) 5.765 2.453 ( 1.640 -1.640 0.000) 2.319 2.457 ( 1.346 -1.346 0.000) 1.903 2.512 ( 2.625 -2.625 0.000) 3.712 2.599 ( -7.301 7.301 -0.000) 10.325 2.881 ( 1.519 -1.519 0.000) 2.148 2.895 ( 0.627 -0.627 0.000) 0.887 3.145 ( 2.213 -2.213 0.000) 3.130 3.275 ( -4.310 4.310 -0.000) 6.096 3.484 ( -7.778 7.778 -0.000) 10.999 3.654 ( 1.986 -1.986 0.000) 2.809 3.704 ( 0.510 -0.510 0.000) 0.722 3.941 ( -0.526 0.526 -0.000) 0.745 4.030 ( 0.537 -0.537 0.000) 0.759 5.688 ( -3.744 3.744 -0.000) 5.295 5.702 ( -1.851 1.851 -0.000) 2.618 5.914 ( -1.218 1.218 -0.000) 1.723 6.020 ( -0.446 0.446 -0.000) 0.631 6.124 ( -3.211 3.211 -0.000) 4.541 6.137 ( 3.046 -3.046 0.000) 4.308 6.223 ( -0.934 0.934 -0.000) 1.321 6.241 ( -0.874 0.874 -0.000) 1.236 6.370 ( 4.044 -4.044 0.000) 5.719 6.947 ( -1.671 1.671 -0.000) 2.363 7.000 ( -2.309 2.309 -0.000) 3.266 7.110 ( -3.178 3.178 -0.000) 4.494 7.464 ( 3.302 -3.302 0.000) 4.670 7.906 ( 5.794 -5.794 0.000) 8.194 7.962 ( 9.433 -9.433 0.000) 13.341 8.019 ( -0.039 0.039 -0.000) 0.055 8.407 ( 0.549 -0.549 0.000) 0.776 8.479 ( -4.284 4.284 -0.000) 6.058 8.486 ( 1.551 -1.551 0.000) 2.193 8.640 ( -2.622 2.622 -0.000) 3.708 9.100 ( 0.808 -0.808 0.000) 1.143 9.105 ( -2.740 2.740 -0.000) 3.875 9.221 ( -0.219 0.219 -0.000) 0.310 9.402 ( -2.494 2.494 -0.000) 3.528 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.274 0.274 -0.555) 0.677 1.797 ( -1.662 -1.662 -3.548) 4.255 2.060 ( 0.530 0.530 -3.694) 3.770 2.073 ( 1.441 1.441 0.806) 2.192 2.175 ( 2.916 2.916 1.337) 4.336 2.298 ( -1.368 -1.368 1.410) 2.394 2.527 ( -0.561 -0.561 3.045) 3.146 2.543 ( -2.677 -2.677 -0.366) 3.803 2.797 ( 4.819 4.819 1.813) 7.052 2.828 ( 2.316 2.316 -0.323) 3.291 3.026 ( 2.207 2.207 -3.860) 4.964 3.085 ( 1.510 1.510 -1.592) 2.664 3.373 ( 1.651 1.651 0.128) 2.338 3.426 ( -3.172 -3.172 -1.574) 4.754 3.587 ( -4.257 -4.257 -6.402) 8.788 3.601 ( 1.174 1.174 1.716) 2.388 3.710 ( 2.595 2.595 2.699) 4.555 4.056 ( -1.819 -1.819 0.592) 2.640 5.616 ( -2.073 -2.073 0.396) 2.958 5.725 ( -2.233 -2.233 -2.341) 3.930 5.841 ( -1.760 -1.760 3.261) 4.102 5.889 ( -2.756 -2.756 5.119) 6.434 6.141 ( -1.272 -1.272 -1.726) 2.493 6.153 ( -2.244 -2.244 -1.958) 3.729 6.259 ( -1.690 -1.690 0.108) 2.392 6.360 ( -3.625 -3.625 -0.659) 5.169 6.732 ( 1.182 1.182 3.055) 3.483 6.796 ( 0.696 0.696 -2.693) 2.867 6.919 ( -0.746 -0.746 -0.212) 1.076 6.952 ( -0.775 -0.775 2.897) 3.098 7.850 ( 1.375 1.375 -7.764) 8.004 7.899 ( 0.510 0.510 -5.005) 5.057 8.108 ( 3.323 3.323 1.758) 5.018 8.158 ( 4.156 4.156 4.661) 7.502 8.306 ( 2.125 2.125 -1.426) 3.326 8.360 ( 5.733 5.733 -4.599) 9.321 8.601 ( 1.537 1.537 1.511) 2.647 8.722 ( -1.024 -1.024 -1.730) 2.256 8.833 ( -2.731 -2.731 3.160) 4.990 9.108 ( -1.933 -1.933 -0.857) 2.865 9.156 ( 0.247 0.247 3.634) 3.650 9.194 ( -2.584 -2.584 2.307) 4.322 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 4.335 -6.882 -4.675) 9.381 1.697 ( 2.171 -5.716 -5.185) 8.016 1.984 ( 1.766 0.219 -3.747) 4.148 2.083 ( -3.844 4.181 -4.078) 6.992 2.263 ( 2.325 0.283 3.703) 4.382 2.334 ( -2.684 1.614 3.361) 4.594 2.524 ( -0.397 -1.121 1.504) 1.918 2.562 ( -0.040 -0.599 2.474) 2.546 2.836 ( 5.191 -1.342 1.451) 5.554 2.902 ( 1.305 4.339 1.362) 4.732 3.010 ( 3.016 1.925 -3.193) 4.795 3.078 ( -1.778 2.633 -2.373) 3.965 3.236 ( 7.355 -10.863 -7.694) 15.208 3.415 ( 1.739 -7.664 0.419) 7.870 3.456 ( -3.683 6.518 -1.170) 7.577 3.608 ( -9.404 3.861 -3.213) 10.662 3.865 ( 3.823 4.326 5.989) 8.318 4.037 ( -1.884 -1.316 -0.323) 2.320 5.596 ( -1.423 -1.361 0.212) 1.981 5.669 ( -4.170 -1.586 -1.776) 4.802 5.862 ( -0.204 -1.321 2.475) 2.813 5.925 ( -3.336 -0.718 3.582) 4.947 6.097 ( -2.034 -1.917 -1.970) 3.419 6.105 ( -2.100 -1.062 -0.086) 2.354 6.240 ( -1.097 -0.568 -0.796) 1.470 6.297 ( -3.490 -2.279 -2.508) 4.865 6.716 ( 4.777 -5.599 -0.163) 7.361 6.807 ( 0.000 2.904 1.350) 3.202 6.936 ( -0.002 -0.286 1.133) 1.168 6.991 ( -1.850 2.867 0.911) 3.531 7.767 ( 1.400 -2.044 -5.038) 5.615 7.840 ( -1.993 0.846 -2.921) 3.636 8.149 ( 5.523 2.608 -1.551) 6.301 8.236 ( 1.576 3.433 -2.026) 4.286 8.324 ( 4.956 0.961 1.141) 5.175 8.396 ( 2.020 5.498 0.027) 5.858 8.593 ( 5.440 -3.860 -0.031) 6.670 8.719 ( -1.457 -1.056 0.963) 2.041 8.848 ( -0.756 1.268 1.304) 1.969 9.047 ( -6.757 -1.534 -1.895) 7.183 9.196 ( 1.956 -1.349 4.121) 4.757 9.253 ( -3.133 1.738 3.561) 5.052 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 8.719 -10.327 -3.688) 14.010 1.499 ( 8.735 -11.748 -5.061) 15.490 1.983 ( -2.423 4.134 -1.779) 5.111 2.090 ( -1.438 2.904 -1.980) 3.798 2.313 ( -2.523 3.442 1.147) 4.419 2.376 ( -0.406 -2.854 2.814) 4.028 2.496 ( 2.335 -4.388 -1.570) 5.212 2.587 ( 1.953 -0.751 2.114) 2.974 2.751 ( 10.729 -12.436 -2.518) 16.616 2.927 ( 2.635 -0.753 -1.151) 2.972 2.940 ( 2.293 -1.957 -1.539) 3.384 3.119 ( -1.009 3.803 0.115) 3.936 3.134 ( -5.074 5.374 -0.288) 7.397 3.334 ( 3.779 -5.982 1.367) 7.207 3.550 ( -4.101 9.337 -2.398) 10.476 3.629 ( -7.275 2.361 0.108) 7.649 3.952 ( 2.577 0.971 1.240) 3.020 4.020 ( -1.565 -0.244 0.077) 1.586 5.588 ( -1.553 0.338 -0.235) 1.607 5.639 ( -4.292 -0.071 -0.885) 4.383 5.871 ( 0.175 0.153 0.316) 0.392 5.967 ( -4.111 1.387 1.790) 4.693 6.051 ( -1.146 -1.862 -0.531) 2.250 6.122 ( -2.011 0.521 2.488) 3.242 6.220 ( -0.632 0.045 -1.920) 2.022 6.241 ( -1.831 -0.421 -2.414) 3.059 6.629 ( 6.651 -7.203 0.437) 9.814 6.876 ( -0.591 3.386 2.005) 3.979 6.936 ( 0.255 -0.747 0.339) 0.859 7.029 ( -1.386 2.401 -0.942) 2.928 7.653 ( 2.087 -5.172 -3.481) 6.574 7.863 ( -4.119 3.154 1.344) 5.359 8.136 ( 5.471 -0.343 -3.001) 6.249 8.224 ( 1.863 1.255 -2.075) 3.058 8.377 ( 4.964 1.842 2.264) 5.758 8.449 ( 1.555 0.016 -0.832) 1.764 8.545 ( 1.957 -1.234 0.880) 2.476 8.665 ( 3.052 -7.072 0.221) 7.705 8.918 ( -2.649 7.543 -0.720) 8.027 9.035 ( -7.369 1.083 0.020) 7.448 9.229 ( 1.999 -0.928 2.803) 3.566 9.309 ( -3.010 1.016 1.930) 3.717 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 13.061 -13.061 0.000) 18.471 1.300 ( 12.189 -12.189 0.000) 17.238 2.012 ( -0.033 0.033 -0.000) 0.046 2.103 ( -0.265 0.265 -0.000) 0.375 2.256 ( 13.636 -13.636 0.000) 19.284 2.394 ( -6.783 6.783 -0.000) 9.592 2.447 ( -0.560 0.560 -0.000) 0.792 2.581 ( 2.245 -2.245 0.000) 3.175 2.582 ( 7.791 -7.791 0.000) 11.018 2.911 ( 0.812 -0.812 0.000) 1.148 2.919 ( 1.065 -1.065 0.000) 1.507 3.166 ( -3.508 3.508 -0.000) 4.961 3.206 ( -1.684 1.684 -0.000) 2.381 3.305 ( -1.438 1.438 -0.000) 2.034 3.626 ( -4.532 4.532 -0.000) 6.409 3.670 ( -2.896 2.896 -0.000) 4.095 3.949 ( 1.010 -1.010 0.000) 1.428 4.027 ( -0.481 0.481 -0.000) 0.681 5.604 ( -2.272 2.272 -0.000) 3.213 5.646 ( -2.166 2.166 -0.000) 3.063 5.881 ( -0.935 0.935 -0.000) 1.323 6.006 ( -2.078 2.078 -0.000) 2.938 6.039 ( -1.157 1.157 -0.000) 1.637 6.159 ( -1.061 1.061 -0.000) 1.501 6.204 ( -0.447 0.447 -0.000) 0.632 6.223 ( -0.434 0.434 -0.000) 0.614 6.534 ( 7.246 -7.246 0.000) 10.247 6.931 ( 0.438 -0.438 0.000) 0.620 6.935 ( -2.563 2.563 -0.000) 3.624 7.045 ( -1.810 1.810 -0.000) 2.559 7.562 ( 3.873 -3.873 0.000) 5.477 7.928 ( -3.486 3.486 -0.000) 4.929 8.080 ( 3.840 -3.840 0.000) 5.430 8.191 ( 5.688 -5.688 0.000) 8.044 8.400 ( 0.061 -0.061 0.000) 0.086 8.421 ( 0.558 -0.558 0.000) 0.789 8.573 ( -2.068 2.068 -0.000) 2.925 8.576 ( 4.946 -4.946 0.000) 6.995 9.004 ( -4.882 4.882 -0.000) 6.904 9.065 ( -3.279 3.279 -0.000) 4.637 9.237 ( 1.192 -1.192 0.000) 1.685 9.339 ( -1.991 1.991 -0.000) 2.816 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -0.524 -0.524 -2.759) 2.857 1.651 ( -0.839 -0.839 -2.842) 3.080 1.961 ( 0.278 0.278 -3.105) 3.130 1.969 ( -0.285 -0.285 -3.493) 3.516 2.329 ( -0.367 -0.367 1.638) 1.718 2.329 ( -0.198 -0.198 1.714) 1.737 2.576 ( 0.969 0.969 2.775) 3.095 2.592 ( -0.210 -0.210 1.774) 1.798 2.919 ( 0.880 0.880 1.659) 2.073 2.919 ( 0.859 0.859 1.126) 1.656 3.015 ( 1.668 1.668 -1.783) 2.957 3.021 ( 0.772 0.772 -2.861) 3.062 3.268 ( -0.398 -0.398 -4.056) 4.095 3.285 ( -0.800 -0.800 -5.360) 5.478 3.478 ( -0.634 -0.634 2.125) 2.307 3.499 ( -1.693 -1.693 0.231) 2.405 3.965 ( 2.118 2.118 2.700) 4.033 4.009 ( -1.034 -1.034 -0.599) 1.581 5.583 ( -0.922 -0.922 0.115) 1.309 5.601 ( -2.136 -2.136 -1.265) 3.275 5.888 ( -0.227 -0.227 1.104) 1.150 5.907 ( -1.381 -1.381 -0.134) 1.958 6.081 ( -1.011 -1.011 1.052) 1.775 6.082 ( -1.285 -1.285 1.403) 2.296 6.217 ( -0.247 -0.247 -1.309) 1.355 6.229 ( -1.176 -1.176 -2.412) 2.930 6.781 ( 0.481 0.481 0.866) 1.101 6.793 ( -0.314 -0.314 0.698) 0.827 6.973 ( 0.824 0.824 0.743) 1.382 6.979 ( 0.398 0.398 0.102) 0.572 7.748 ( -0.172 -0.172 -1.282) 1.305 7.763 ( -1.315 -1.315 -2.331) 2.982 8.181 ( 2.812 2.812 -1.776) 4.355 8.206 ( 1.230 1.230 -3.556) 3.959 8.414 ( 2.615 2.615 2.594) 4.517 8.432 ( 1.663 1.663 1.616) 2.854 8.673 ( 1.237 1.237 0.624) 1.858 8.688 ( 0.462 0.462 -0.654) 0.925 8.867 ( -0.628 -0.628 1.479) 1.725 8.925 ( -4.064 -4.064 -2.605) 6.311 9.263 ( 0.203 0.203 2.590) 2.606 9.269 ( -0.167 -0.167 2.266) 2.278 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 6.911 -6.911 0.000) 9.774 1.578 ( 7.191 -7.191 0.000) 10.169 1.933 ( -2.002 2.002 -0.000) 2.832 2.013 ( -6.045 6.045 -0.000) 8.549 2.313 ( 0.939 -0.939 0.000) 1.327 2.371 ( -2.288 2.288 -0.000) 3.236 2.553 ( 5.014 -5.014 0.000) 7.091 2.618 ( 0.007 -0.007 0.000) 0.010 2.883 ( 7.391 -7.391 0.000) 10.452 2.944 ( 0.314 -0.314 0.000) 0.444 2.961 ( 5.026 -5.026 0.000) 7.108 3.057 ( -4.937 4.937 -0.000) 6.981 3.122 ( 3.112 -3.112 0.000) 4.401 3.395 ( -6.116 6.116 -0.000) 8.649 3.423 ( 0.233 -0.233 0.000) 0.330 3.561 ( -4.951 4.951 -0.000) 7.002 3.982 ( 1.226 -1.226 0.000) 1.734 4.010 ( -0.811 0.811 -0.000) 1.148 5.572 ( -0.116 0.116 -0.000) 0.164 5.593 ( -1.553 1.553 -0.000) 2.196 5.876 ( 0.750 -0.750 0.000) 1.061 5.924 ( -2.720 2.720 -0.000) 3.846 6.061 ( 1.642 -1.642 0.000) 2.322 6.113 ( -2.024 2.024 -0.000) 2.863 6.200 ( 0.144 -0.144 0.000) 0.204 6.210 ( -0.498 0.498 -0.000) 0.704 6.720 ( 6.030 -6.030 0.000) 8.527 6.852 ( -3.803 3.803 -0.000) 5.378 6.961 ( 1.566 -1.566 0.000) 2.215 7.003 ( -1.449 1.449 -0.000) 2.050 7.674 ( 4.492 -4.492 0.000) 6.353 7.805 ( -5.027 5.027 -0.000) 7.109 8.161 ( 2.221 -2.221 0.000) 3.141 8.213 ( -1.645 1.645 -0.000) 2.327 8.441 ( 0.973 -0.973 0.000) 1.376 8.465 ( 0.116 -0.116 0.000) 0.164 8.600 ( 6.018 -6.018 0.000) 8.511 8.714 ( 2.840 -2.840 0.000) 4.016 8.861 ( -3.569 3.569 -0.000) 5.047 8.942 ( -5.379 5.379 -0.000) 7.607 9.269 ( 1.092 -1.092 0.000) 1.545 9.298 ( -1.142 1.142 -0.000) 1.615 ======================= Grid point 95 (26/75) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 11.998 11.998 12.369) 20.997 1.134 ( 11.923 11.923 13.113) 21.360 1.886 ( 16.494 16.494 20.447) 31.019 2.096 ( 0.508 0.508 -0.284) 0.772 2.199 ( -2.521 -2.521 -0.576) 3.611 2.440 ( 1.799 1.799 -0.557) 2.605 2.468 ( 0.854 0.854 -3.704) 3.896 2.511 ( 1.425 1.425 3.343) 3.904 2.573 ( -5.352 -5.352 -0.974) 7.632 2.853 ( 1.978 1.978 -0.771) 2.902 2.946 ( -0.299 -0.299 3.127) 3.155 3.104 ( 3.309 3.309 -3.292) 5.721 3.243 ( -2.845 -2.845 -2.780) 4.890 3.337 ( -3.081 -3.081 -5.655) 7.139 3.668 ( -1.801 -1.801 -2.564) 3.614 3.803 ( -1.609 -1.609 5.941) 6.362 3.951 ( 0.032 0.032 -0.131) 0.138 4.031 ( -0.326 -0.326 0.045) 0.463 5.697 ( -3.729 -3.729 0.205) 5.278 5.729 ( -1.899 -1.899 2.034) 3.369 5.882 ( -0.212 -0.212 -2.896) 2.911 5.957 ( -0.928 -0.928 -3.796) 4.016 6.084 ( 1.264 1.264 -0.985) 2.042 6.162 ( -3.031 -3.031 2.788) 5.114 6.267 ( 1.129 1.129 2.012) 2.569 6.300 ( -1.129 -1.129 4.203) 4.496 6.377 ( 4.332 4.332 3.170) 6.898 6.935 ( -2.397 -2.397 -0.679) 3.458 6.962 ( -2.748 -2.748 -2.655) 4.707 7.122 ( -1.649 -1.649 -0.172) 2.339 7.558 ( 3.697 3.697 6.589) 8.411 7.852 ( 3.238 3.238 -0.668) 4.628 7.970 ( 9.080 9.080 1.903) 12.981 8.071 ( 2.454 2.454 0.341) 3.487 8.315 ( 0.359 0.359 -2.869) 2.913 8.539 ( 1.238 1.238 1.361) 2.217 8.551 ( -1.893 -1.893 -5.623) 6.228 8.687 ( -6.693 -6.693 8.359) 12.628 9.035 ( 2.169 2.169 -5.305) 6.128 9.095 ( -1.887 -1.887 -0.746) 2.771 9.152 ( -0.613 -0.613 -3.051) 3.172 9.381 ( -3.013 -3.013 -1.468) 4.507 ======================= Grid point 96 (27/75) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 8.851 9.833 12.183) 17.985 1.462 ( 6.826 11.267 10.987) 17.154 2.072 ( 2.642 -2.596 -1.309) 3.928 2.140 ( -1.894 -0.836 2.107) 2.954 2.260 ( 1.088 4.362 2.332) 5.065 2.354 ( 0.400 -5.401 -5.184) 7.497 2.491 ( 1.854 3.656 0.657) 4.152 2.551 ( -3.774 1.044 0.882) 4.014 2.632 ( 3.631 6.538 5.750) 9.433 2.928 ( 5.403 5.519 8.129) 11.213 2.950 ( -0.459 -2.450 -0.997) 2.684 3.087 ( 3.563 1.427 -2.723) 4.705 3.189 ( -2.148 0.622 -3.605) 4.243 3.275 ( -0.658 -0.344 1.225) 1.433 3.586 ( -2.188 -3.695 -3.417) 5.488 3.823 ( -0.644 -3.428 -0.126) 3.490 3.913 ( 1.301 -3.228 -0.777) 3.566 4.033 ( -3.588 0.606 -0.197) 3.645 5.646 ( -1.623 -3.414 0.005) 3.780 5.744 ( -3.152 -1.004 2.336) 4.049 5.837 ( -0.472 -0.610 -2.548) 2.662 5.894 ( -2.605 -0.394 -3.915) 4.719 6.099 ( 0.543 -0.257 1.667) 1.772 6.166 ( -2.332 -1.646 2.141) 3.568 6.292 ( -2.001 0.056 1.758) 2.665 6.342 ( -2.834 -0.418 2.923) 4.093 6.510 ( 3.953 5.665 5.143) 8.612 6.853 ( 1.627 -4.370 -1.247) 4.827 6.934 ( -4.567 0.897 -1.927) 5.038 7.082 ( -1.679 -2.330 -2.251) 3.649 7.726 ( 2.957 5.250 8.470) 10.395 7.886 ( 1.994 0.621 2.463) 3.229 8.069 ( 6.632 2.141 -0.990) 7.039 8.136 ( 4.334 7.926 -0.945) 9.083 8.304 ( 0.461 0.633 0.243) 0.820 8.442 ( 1.263 -0.767 -5.982) 6.162 8.566 ( 1.788 1.596 -0.399) 2.430 8.675 ( -3.144 -8.907 6.068) 11.227 8.964 ( 1.116 -0.870 -6.133) 6.294 9.066 ( -0.555 -0.765 -0.465) 1.053 9.119 ( -1.133 0.352 -1.452) 1.875 9.323 ( -5.697 -1.790 -2.310) 6.402 ======================= Grid point 97 (28/75) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 5.279 5.306 6.826) 10.130 1.710 ( 3.373 6.430 6.320) 9.626 2.016 ( 3.847 -1.670 -0.559) 4.231 2.091 ( 1.812 -4.039 -5.110) 6.761 2.241 ( 0.172 -0.917 -0.152) 0.946 2.288 ( -1.069 -0.768 -1.156) 1.752 2.534 ( -2.330 1.845 0.274) 2.984 2.573 ( -6.548 0.221 0.619) 6.581 2.735 ( 5.284 2.365 0.926) 5.863 2.875 ( 0.460 -2.162 -2.793) 3.562 3.078 ( 2.545 0.130 1.156) 2.798 3.123 ( 2.141 0.313 -0.315) 2.187 3.271 ( 4.191 9.584 10.627) 14.911 3.323 ( -0.039 3.212 1.953) 3.760 3.502 ( -1.566 -2.099 -1.170) 2.868 3.661 ( 3.567 -8.923 -8.996) 13.164 3.895 ( -2.251 -0.959 0.996) 2.642 4.036 ( -4.128 0.289 -0.237) 4.145 5.612 ( -0.730 -1.266 -0.044) 1.462 5.763 ( -1.863 -0.596 2.212) 2.953 5.798 ( -0.712 -0.310 -2.335) 2.460 5.853 ( -4.990 0.062 -1.437) 5.193 6.112 ( 1.220 -0.608 1.037) 1.712 6.169 ( -1.218 -0.406 0.376) 1.337 6.327 ( -4.643 0.742 2.085) 5.143 6.357 ( -3.804 -0.620 0.131) 3.857 6.627 ( 3.394 2.589 2.069) 4.744 6.828 ( 0.815 -0.300 3.009) 3.132 6.909 ( -1.917 -0.115 -3.353) 3.864 7.010 ( -4.032 -1.970 -2.246) 5.018 7.901 ( 3.150 3.926 5.624) 7.547 7.932 ( 2.383 -0.420 4.054) 4.721 8.065 ( 4.696 1.353 -1.810) 5.211 8.145 ( 1.614 -0.292 -5.012) 5.274 8.293 ( 3.587 -0.596 -1.008) 3.773 8.460 ( 3.704 6.144 1.889) 7.419 8.555 ( 2.726 -1.782 -2.121) 3.886 8.635 ( -0.839 -4.860 2.907) 5.725 8.877 ( -1.042 -1.264 -3.113) 3.518 9.059 ( 0.460 0.073 -0.213) 0.512 9.116 ( -1.090 0.471 -0.136) 1.196 9.276 ( -7.340 -0.893 -1.429) 7.531 ======================= Grid point 102 (29/75) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 22.206 0.000 0.000) 22.206 0.650 ( 22.710 0.000 0.000) 22.710 1.149 ( 39.718 0.000 0.000) 39.718 2.089 ( -1.083 -0.000 -0.000) 1.083 2.286 ( -4.475 -0.000 -0.000) 4.475 2.405 ( 0.618 0.000 0.000) 0.618 2.440 ( 1.067 0.000 0.000) 1.067 2.476 ( 2.605 0.000 0.000) 2.605 2.772 ( -0.439 -0.000 -0.000) 0.439 2.805 ( -1.494 -0.000 -0.000) 1.494 2.882 ( -1.143 -0.000 -0.000) 1.143 3.124 ( 0.048 0.000 0.000) 0.048 3.337 ( -6.703 -0.000 -0.000) 6.703 3.604 ( 5.531 0.000 0.000) 5.531 3.613 ( -9.093 -0.000 -0.000) 9.093 3.686 ( 3.133 0.000 0.000) 3.133 3.920 ( -3.768 -0.000 -0.000) 3.768 4.032 ( 3.570 0.000 0.000) 3.570 5.715 ( -3.449 -0.000 -0.000) 3.449 5.806 ( -0.767 -0.000 -0.000) 0.767 5.969 ( 2.823 0.000 0.000) 2.823 5.983 ( -3.851 -0.000 -0.000) 3.851 6.081 ( 5.966 0.000 0.000) 5.966 6.179 ( -1.322 -0.000 -0.000) 1.322 6.255 ( 0.869 0.000 0.000) 0.869 6.266 ( -0.169 -0.000 -0.000) 0.169 6.315 ( 0.037 0.000 0.000) 0.037 6.986 ( -4.313 -0.000 -0.000) 4.313 7.025 ( -3.761 -0.000 -0.000) 3.761 7.165 ( -4.863 -0.000 -0.000) 4.863 7.495 ( 8.404 0.000 0.000) 8.404 7.659 ( 3.261 0.000 0.000) 3.261 7.897 ( 13.594 0.000 0.000) 13.594 8.013 ( 1.820 0.000 0.000) 1.820 8.380 ( -2.883 -0.000 -0.000) 2.883 8.474 ( 0.262 0.000 0.000) 0.262 8.482 ( -8.833 -0.000 -0.000) 8.833 8.675 ( -3.766 -0.000 -0.000) 3.766 9.075 ( 3.249 0.000 0.000) 3.249 9.126 ( -3.597 -0.000 -0.000) 3.597 9.222 ( -0.655 -0.000 -0.000) 0.655 9.498 ( 0.292 0.000 0.000) 0.292 ======================= Grid point 105 (30/75) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 6.242 6.242 6.350) 10.874 1.685 ( 5.573 5.573 10.191) 12.883 2.077 ( 1.761 1.761 -3.173) 4.034 2.111 ( -1.122 -1.122 0.029) 1.587 2.277 ( -1.289 -1.289 -4.621) 4.968 2.282 ( -0.503 -0.503 0.134) 0.725 2.482 ( -1.353 -1.353 -0.180) 1.922 2.524 ( -2.947 -2.947 1.016) 4.289 2.755 ( 5.707 5.707 1.684) 8.244 2.898 ( -0.363 -0.363 -3.838) 3.872 3.110 ( 2.163 2.163 -0.758) 3.152 3.118 ( -0.049 -0.049 -1.204) 1.206 3.225 ( 8.772 8.772 13.836) 18.583 3.306 ( 0.471 0.471 3.024) 3.097 3.509 ( -2.481 -2.481 -2.141) 4.111 3.783 ( -1.926 -1.926 -4.730) 5.458 3.864 ( -0.908 -0.908 -6.109) 6.242 3.995 ( -3.674 -3.674 2.744) 5.876 5.621 ( -1.373 -1.373 -0.345) 1.972 5.753 ( -2.500 -2.500 4.226) 5.510 5.801 ( -1.040 -1.040 -0.895) 1.721 5.809 ( -1.748 -1.748 -3.920) 4.634 6.131 ( -0.253 -0.253 2.137) 2.167 6.169 ( -1.654 -1.654 1.581) 2.823 6.269 ( -1.308 -1.308 -0.541) 1.927 6.340 ( -2.848 -2.848 1.837) 4.426 6.632 ( 3.798 3.798 4.429) 6.962 6.849 ( -0.224 -0.224 -1.436) 1.471 6.882 ( -0.766 -0.766 0.758) 1.322 6.998 ( -3.230 -3.230 -4.517) 6.424 7.895 ( 4.062 4.062 8.195) 10.008 7.953 ( 1.015 1.015 3.808) 4.070 8.092 ( 3.470 3.470 -4.035) 6.353 8.149 ( 1.858 1.858 -5.855) 6.418 8.330 ( 1.676 1.676 0.785) 2.496 8.436 ( 5.960 5.960 -1.115) 8.502 8.584 ( 1.694 1.694 -0.571) 2.462 8.678 ( -5.859 -5.859 4.136) 9.260 8.885 ( 0.063 0.063 -6.184) 6.184 9.067 ( -0.881 -0.881 2.121) 2.460 9.102 ( -0.026 -0.026 0.093) 0.099 9.216 ( -4.680 -4.680 -2.728) 7.159 ======================= Grid point 106 (31/75) ======================= q-point: (-0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 3.104 0.402 -1.183) 3.346 1.797 ( 1.466 -1.427 0.245) 2.060 2.074 ( 4.636 0.179 -1.441) 4.858 2.099 ( 3.748 1.215 1.381) 4.175 2.232 ( 0.737 1.748 -2.052) 2.795 2.269 ( -1.269 -0.448 0.367) 1.395 2.480 ( -4.542 -0.421 1.357) 4.759 2.498 ( -6.080 -2.175 1.350) 6.597 2.827 ( 6.176 1.663 0.159) 6.398 2.871 ( 2.267 1.833 -0.325) 2.933 3.090 ( 0.825 0.848 -2.074) 2.388 3.125 ( 0.168 1.426 -0.871) 1.679 3.343 ( 1.156 -1.566 1.315) 2.349 3.400 ( -1.595 -0.867 1.314) 2.241 3.554 ( 5.739 -2.908 -1.868) 6.699 3.628 ( 4.786 1.537 1.583) 5.270 3.808 ( -5.207 4.379 -5.640) 8.837 3.993 ( -4.808 -3.071 3.185) 6.534 5.604 ( -0.006 -0.226 -0.551) 0.595 5.732 ( -3.505 -1.807 -2.583) 4.714 5.789 ( -0.774 -0.618 2.692) 2.869 5.801 ( -2.788 -0.461 2.870) 4.028 6.136 ( 0.742 -1.231 -0.588) 1.553 6.152 ( -1.263 -0.900 -0.640) 1.678 6.261 ( -3.519 0.926 -0.911) 3.751 6.317 ( -3.790 -2.370 0.619) 4.512 6.703 ( 4.306 -0.192 1.325) 4.509 6.839 ( 0.304 0.091 -2.430) 2.451 6.892 ( -0.590 -0.601 2.120) 2.281 6.928 ( -4.546 0.541 0.661) 4.626 7.960 ( 2.893 0.167 -3.935) 4.887 7.973 ( 1.642 -0.373 -5.863) 6.100 8.110 ( 2.740 1.834 2.709) 4.267 8.132 ( 0.895 2.439 4.466) 5.167 8.348 ( 4.780 1.105 -1.086) 5.024 8.502 ( 3.092 6.108 -4.132) 7.996 8.585 ( 3.724 -1.424 -0.063) 3.988 8.657 ( -1.822 -5.232 4.200) 6.952 8.834 ( 0.077 2.370 -1.547) 2.831 9.078 ( -0.599 -2.853 1.516) 3.285 9.110 ( -0.431 -0.384 0.179) 0.604 9.159 ( -7.381 0.420 1.427) 7.529 ======================= Grid point 107 (32/75) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 6.122 -6.807 -7.678) 11.948 1.684 ( 5.444 -7.689 -6.518) 11.456 2.054 ( 1.678 2.825 -2.486) 4.120 2.139 ( 0.701 -1.165 0.392) 1.416 2.260 ( -0.833 4.625 1.585) 4.959 2.300 ( -1.006 0.134 2.179) 2.404 2.491 ( -3.507 -0.203 1.357) 3.766 2.515 ( -2.125 -0.567 2.520) 3.345 2.801 ( 6.218 -3.748 -1.143) 7.350 2.924 ( 0.793 1.933 2.084) 2.951 3.079 ( 3.027 0.778 -3.852) 4.960 3.127 ( -0.508 0.083 -1.545) 1.628 3.211 ( 5.565 -8.738 -8.051) 13.120 3.310 ( 1.435 -5.282 -0.321) 5.483 3.506 ( -2.085 3.501 2.841) 4.968 3.743 ( -4.624 5.018 -3.767) 7.794 3.869 ( 2.881 6.482 3.626) 7.967 3.993 ( -4.728 -2.584 2.365) 5.885 5.601 ( -0.356 1.071 -0.654) 1.304 5.686 ( -3.914 0.186 -2.571) 4.686 5.822 ( -0.478 0.326 2.857) 2.915 5.856 ( -2.255 0.135 4.892) 5.388 6.103 ( 0.092 -0.311 -1.609) 1.641 6.123 ( -2.228 -0.091 -2.890) 3.651 6.260 ( -1.458 1.049 -0.841) 1.983 6.297 ( -3.413 -0.498 -1.172) 3.643 6.649 ( 4.943 -5.616 -2.161) 7.788 6.833 ( 1.284 2.567 0.451) 2.905 6.903 ( -2.213 -1.431 1.523) 3.044 7.007 ( -3.094 3.567 3.305) 5.763 7.829 ( 2.736 -3.551 -8.766) 9.846 7.897 ( 0.308 0.255 -4.324) 4.342 8.170 ( 5.086 0.358 2.658) 5.750 8.234 ( 0.739 -0.123 4.286) 4.351 8.328 ( 2.898 -0.859 -1.464) 3.358 8.492 ( 2.518 1.326 -2.717) 3.934 8.556 ( 0.990 0.027 -1.855) 2.103 8.636 ( 1.739 -4.020 1.907) 4.778 8.915 ( 0.148 6.661 2.191) 7.014 9.040 ( -5.444 -1.654 -0.726) 5.736 9.125 ( 1.045 -0.874 2.993) 3.289 9.223 ( -4.718 1.774 3.856) 6.346 ======================= Grid point 108 (33/75) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 10.252 -10.252 -8.121) 16.619 1.445 ( 10.692 -10.692 -9.290) 17.747 2.064 ( -2.607 2.607 -2.846) 4.657 2.119 ( 1.005 -1.005 -0.354) 1.464 2.280 ( 5.763 -5.763 -0.511) 8.165 2.368 ( -6.134 6.134 1.990) 8.900 2.485 ( 0.833 -0.833 -1.275) 1.736 2.540 ( 1.060 -1.060 2.136) 2.610 2.652 ( 10.178 -10.178 -5.726) 15.490 2.918 ( 3.663 -3.663 -2.968) 5.970 2.946 ( 0.213 -0.213 -0.866) 0.917 3.170 ( -1.777 1.777 3.375) 4.208 3.171 ( -2.274 2.274 0.145) 3.219 3.259 ( 1.168 -1.168 0.248) 1.670 3.604 ( -2.939 2.939 3.944) 5.729 3.735 ( -4.356 4.356 -5.779) 8.447 3.955 ( 0.218 -0.218 0.719) 0.782 4.003 ( -1.319 1.319 1.769) 2.571 5.615 ( -2.125 2.125 -0.614) 3.067 5.671 ( -2.293 2.293 -1.891) 3.754 5.867 ( -0.670 0.670 2.051) 2.259 5.930 ( -1.166 1.166 4.614) 4.900 6.087 ( -2.094 2.094 -3.422) 4.525 6.099 ( -0.093 0.093 1.204) 1.211 6.265 ( -0.750 0.750 -1.100) 1.528 6.267 ( -1.175 1.175 -3.254) 3.654 6.536 ( 6.681 -6.681 -1.618) 9.586 6.896 ( -2.214 2.214 1.975) 3.701 6.903 ( 0.059 -0.059 1.525) 1.527 7.071 ( -2.242 2.242 -0.008) 3.171 7.665 ( 3.959 -3.959 -7.078) 9.025 7.878 ( -0.982 0.982 0.315) 1.424 8.160 ( 3.514 -3.514 -2.039) 5.371 8.194 ( 6.224 -6.224 -0.851) 8.843 8.331 ( 0.945 -0.945 3.522) 3.767 8.506 ( -0.439 0.439 0.757) 0.979 8.540 ( -3.848 3.848 -3.624) 6.539 8.598 ( 3.197 -3.197 -0.258) 4.529 9.023 ( -3.650 3.650 -1.261) 5.314 9.034 ( -2.462 2.462 2.962) 4.571 9.160 ( 1.400 -1.400 4.263) 4.700 9.298 ( -2.791 2.791 2.744) 4.808 ======================= Grid point 110 (34/75) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 18.849 -9.602 0.000) 21.154 0.996 ( 19.665 -6.996 0.000) 20.872 1.707 ( 28.649 -10.098 0.000) 30.377 2.070 ( -2.802 -0.543 -0.000) 2.854 2.236 ( 2.479 2.600 -0.000) 3.592 2.433 ( 0.380 -2.205 0.000) 2.238 2.449 ( -0.185 -0.217 0.000) 0.286 2.516 ( 1.196 -1.632 0.000) 2.023 2.660 ( -1.606 8.879 -0.000) 9.023 2.846 ( -0.235 -4.032 0.000) 4.039 2.879 ( -1.148 -1.964 0.000) 2.275 3.168 ( 4.974 -0.950 0.000) 5.064 3.231 ( -7.141 1.159 -0.000) 7.234 3.448 ( -9.898 4.427 -0.000) 10.843 3.648 ( -1.209 -0.510 -0.000) 1.313 3.721 ( 1.679 0.372 0.000) 1.720 3.897 ( -1.445 -2.207 0.000) 2.638 4.057 ( 1.098 1.128 -0.000) 1.574 5.658 ( -3.325 1.056 -0.000) 3.488 5.769 ( 0.960 4.956 -0.000) 5.048 5.910 ( -2.613 1.817 -0.000) 3.182 6.030 ( 2.577 -0.861 0.000) 2.717 6.137 ( -1.532 3.222 -0.000) 3.567 6.163 ( 3.668 -0.521 0.000) 3.705 6.242 ( 0.400 2.404 -0.000) 2.437 6.260 ( 0.920 2.068 -0.000) 2.263 6.368 ( 4.368 -4.721 0.000) 6.432 6.920 ( -3.632 0.364 -0.000) 3.650 6.973 ( -3.778 0.088 -0.000) 3.779 7.100 ( -2.989 1.741 -0.000) 3.459 7.563 ( 8.368 4.253 0.000) 9.386 7.811 ( 4.110 -10.934 0.000) 11.681 8.015 ( 0.921 1.898 -0.000) 2.109 8.081 ( 8.739 -2.365 0.000) 9.053 8.309 ( -10.976 -4.797 -0.000) 11.979 8.423 ( -1.772 -0.778 -0.000) 1.936 8.504 ( 4.351 -1.051 0.000) 4.476 8.610 ( -4.682 0.680 -0.000) 4.731 9.059 ( -5.294 0.982 -0.000) 5.384 9.125 ( 2.409 -0.539 0.000) 2.468 9.210 ( -0.571 0.326 -0.000) 0.658 9.457 ( -0.719 4.660 -0.000) 4.715 ======================= Grid point 111 (35/75) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 19.399 0.000 7.601) 20.835 1.022 ( 19.220 0.000 10.046) 21.687 1.715 ( 27.566 0.000 11.191) 29.751 2.064 ( -2.714 -0.000 -0.215) 2.723 2.257 ( 2.916 0.000 0.308) 2.933 2.419 ( 0.295 -0.000 0.383) 0.484 2.454 ( -0.569 -0.000 -0.242) 0.618 2.490 ( 1.411 0.000 -0.909) 1.679 2.743 ( -1.211 0.000 -2.350) 2.643 2.782 ( -0.672 -0.000 0.330) 0.749 2.879 ( -1.566 -0.000 2.087) 2.609 3.138 ( 3.027 0.000 -3.054) 4.300 3.252 ( -4.715 -0.000 1.394) 4.917 3.425 ( -7.301 -0.000 -6.495) 9.772 3.674 ( -3.306 -0.000 1.056) 3.470 3.736 ( 1.351 -0.000 3.676) 3.916 3.879 ( -1.865 -0.000 -0.320) 1.892 4.071 ( 1.384 0.000 0.674) 1.539 5.665 ( -3.512 -0.000 0.046) 3.512 5.813 ( 0.571 -0.000 0.897) 1.063 5.907 ( -2.396 0.000 -3.176) 3.979 6.013 ( 2.503 0.000 -0.636) 2.582 6.124 ( 2.550 0.000 -3.907) 4.666 6.182 ( -0.296 -0.000 2.036) 2.057 6.259 ( 0.010 0.000 -1.429) 1.429 6.304 ( 5.144 0.000 3.463) 6.201 6.328 ( 2.837 0.000 1.805) 3.362 6.891 ( -5.131 -0.000 -3.179) 6.036 7.007 ( -2.986 -0.000 3.253) 4.416 7.110 ( -2.983 -0.000 -0.249) 2.994 7.617 ( 8.774 0.000 0.171) 8.776 7.726 ( 4.372 0.000 1.933) 4.780 8.007 ( 5.921 0.000 -3.631) 6.945 8.054 ( 2.400 0.000 1.502) 2.831 8.331 ( -5.448 -0.000 2.034) 5.816 8.425 ( -6.154 -0.000 5.484) 8.243 8.514 ( 2.069 0.000 1.472) 2.539 8.602 ( -4.613 -0.000 -1.629) 4.892 9.058 ( -4.413 -0.000 -1.436) 4.640 9.105 ( 2.674 0.000 -1.808) 3.228 9.201 ( -0.202 0.000 -1.767) 1.779 9.481 ( -1.143 0.000 -1.533) 1.912 ======================= Grid point 115 (36/75) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.118 0.118 -3.749) 3.753 1.763 ( -0.764 -0.764 -4.526) 4.653 2.095 ( 1.264 1.264 -4.945) 5.258 2.098 ( 0.712 0.712 -4.064) 4.187 2.253 ( 1.469 1.469 2.160) 2.996 2.263 ( -0.622 -0.622 2.045) 2.226 2.474 ( -1.238 -1.238 4.104) 4.462 2.493 ( -1.681 -1.681 4.938) 5.481 2.892 ( 1.920 1.920 -0.057) 2.716 2.899 ( 1.915 1.915 0.354) 2.731 3.074 ( 1.441 1.441 -2.090) 2.919 3.100 ( -0.290 -0.290 -2.143) 2.182 3.371 ( -0.473 -0.473 -0.701) 0.969 3.395 ( -1.081 -1.081 3.119) 3.474 3.517 ( 0.397 0.397 -10.249) 10.265 3.568 ( -2.239 -2.239 -7.027) 7.707 3.844 ( 5.672 5.672 6.301) 10.200 3.979 ( -4.015 -4.015 3.222) 6.528 5.597 ( 0.801 0.801 -1.174) 1.631 5.651 ( -2.825 -2.825 -2.334) 4.627 5.819 ( 0.016 0.016 3.356) 3.356 5.836 ( -1.235 -1.235 4.584) 4.905 6.107 ( -0.892 -0.892 -2.870) 3.135 6.109 ( -0.863 -0.863 -2.494) 2.777 6.239 ( 0.301 0.301 -0.026) 0.426 6.276 ( -2.339 -2.339 -0.373) 3.329 6.764 ( 1.197 1.197 0.741) 1.848 6.794 ( -0.811 -0.811 -2.143) 2.431 6.917 ( 0.457 0.457 2.979) 3.049 6.933 ( -0.643 -0.643 3.248) 3.373 7.877 ( 0.762 0.762 -8.074) 8.146 7.895 ( -0.546 -0.546 -6.918) 6.961 8.196 ( 2.570 2.570 3.260) 4.882 8.225 ( 0.662 0.662 5.059) 5.145 8.381 ( 3.188 3.188 -1.995) 4.930 8.443 ( -0.277 -0.277 -4.750) 4.766 8.641 ( 1.457 1.457 1.681) 2.659 8.683 ( -1.680 -1.680 1.959) 3.080 8.848 ( 4.000 4.000 -0.312) 5.665 8.994 ( -5.695 -5.695 -2.347) 8.388 9.158 ( -0.004 -0.004 4.128) 4.128 9.162 ( -0.358 -0.358 4.741) 4.767 ======================= Grid point 117 (37/75) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 5.844 -5.844 -5.097) 9.710 1.673 ( 4.713 -4.713 -5.517) 8.653 2.003 ( -0.200 0.200 -4.722) 4.731 2.089 ( -4.339 4.339 -4.558) 7.644 2.273 ( 0.533 -0.533 2.607) 2.714 2.322 ( -1.456 1.456 2.951) 3.598 2.518 ( 1.729 -1.729 2.958) 3.838 2.553 ( -0.423 0.423 4.337) 4.379 2.864 ( 4.229 -4.229 0.115) 5.981 2.941 ( -1.271 1.271 0.870) 1.996 3.059 ( 1.320 -1.320 -4.034) 4.445 3.074 ( -2.325 2.325 -1.905) 3.799 3.208 ( 9.622 -9.622 -7.367) 15.474 3.362 ( 3.730 -3.730 1.783) 5.569 3.511 ( -3.774 3.774 2.879) 6.064 3.544 ( -9.079 9.079 -7.606) 14.923 3.962 ( 0.334 -0.334 2.091) 2.143 3.975 ( -0.697 0.697 2.837) 3.003 5.587 ( 0.086 -0.086 -1.100) 1.107 5.614 ( -1.733 1.733 -1.563) 2.907 5.861 ( 0.431 -0.431 2.204) 2.287 5.890 ( -1.570 1.570 3.552) 4.189 6.064 ( 0.260 -0.260 -2.261) 2.291 6.084 ( -0.890 0.890 -0.260) 1.286 6.244 ( -0.464 0.465 -1.848) 1.961 6.245 ( -0.514 0.514 -1.038) 1.267 6.709 ( 5.719 -5.719 -0.010) 8.088 6.829 ( -3.141 3.141 0.877) 4.528 6.932 ( 1.935 -1.935 2.182) 3.500 7.000 ( -2.862 2.862 1.558) 4.336 7.761 ( 3.030 -3.030 -6.427) 7.725 7.830 ( -2.213 2.213 -3.320) 4.563 8.226 ( 1.398 -1.398 -2.236) 2.985 8.254 ( -0.598 0.598 -0.824) 1.181 8.374 ( 2.210 -2.210 2.743) 4.159 8.443 ( -2.817 2.817 -0.029) 3.984 8.611 ( 5.994 -5.994 -0.400) 8.486 8.689 ( 2.019 -2.019 1.798) 3.374 8.910 ( -3.374 3.374 -2.893) 5.581 8.937 ( -3.930 3.930 0.627) 5.593 9.201 ( 1.417 -1.417 4.392) 4.827 9.239 ( -1.607 1.607 3.947) 4.554 ======================= Grid point 119 (38/75) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 14.602 -9.030 0.000) 17.169 1.343 ( 15.590 -8.316 0.000) 17.669 1.999 ( -3.149 1.134 -0.000) 3.347 2.049 ( 0.968 -5.124 0.000) 5.214 2.361 ( -1.448 2.792 -0.000) 3.145 2.387 ( 11.148 -0.782 0.000) 11.176 2.474 ( -1.086 1.526 -0.000) 1.873 2.556 ( 2.480 -4.442 0.000) 5.088 2.633 ( 9.143 -2.040 0.000) 9.368 2.893 ( -0.683 -2.792 0.000) 2.874 2.897 ( 0.208 -2.641 0.000) 2.649 3.121 ( -6.409 0.365 -0.000) 6.419 3.222 ( -5.210 5.506 -0.000) 7.580 3.301 ( 3.280 -1.945 0.000) 3.814 3.576 ( -7.470 2.085 -0.000) 7.755 3.706 ( -0.711 3.733 -0.000) 3.800 3.926 ( 0.188 -2.619 0.000) 2.626 4.037 ( -0.779 1.603 -0.000) 1.783 5.611 ( -0.502 1.683 -0.000) 1.757 5.706 ( 1.179 6.220 -0.000) 6.331 5.873 ( -0.565 0.246 -0.000) 0.616 6.047 ( -0.801 5.427 -0.000) 5.486 6.067 ( 2.380 1.469 0.000) 2.797 6.183 ( 1.024 2.337 -0.000) 2.552 6.216 ( 0.551 1.762 -0.000) 1.846 6.243 ( 1.053 2.234 -0.000) 2.470 6.540 ( 7.651 -6.921 0.000) 10.317 6.893 ( -2.357 -1.744 -0.000) 2.932 6.924 ( -2.515 0.286 -0.000) 2.532 7.041 ( -2.386 1.611 -0.000) 2.879 7.627 ( 7.010 1.778 0.000) 7.232 7.948 ( -2.176 4.872 -0.000) 5.336 8.003 ( 0.855 -9.918 0.000) 9.955 8.173 ( -2.777 -2.751 -0.000) 3.909 8.285 ( -3.181 -8.391 0.000) 8.974 8.425 ( -0.712 -1.573 0.000) 1.726 8.547 ( -2.897 -0.026 -0.000) 2.897 8.627 ( 9.561 -2.282 0.000) 9.830 8.951 ( -7.100 2.471 -0.000) 7.517 9.119 ( 0.043 4.640 -0.000) 4.640 9.220 ( 0.643 -1.905 0.000) 2.010 9.375 ( -1.526 4.602 -0.000) 4.849 ======================= Grid point 120 (39/75) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 17.051 -6.219 4.987) 18.822 1.303 ( 16.947 -4.332 6.984) 18.834 1.991 ( 5.815 -4.459 3.523) 8.131 2.018 ( -3.208 0.106 0.789) 3.305 2.366 ( 8.293 0.923 -1.582) 8.493 2.406 ( -2.144 2.657 -1.558) 3.753 2.475 ( 5.301 -3.606 0.548) 6.434 2.523 ( 2.137 -1.450 3.692) 4.505 2.663 ( 2.817 5.480 -0.694) 6.201 2.836 ( -1.185 -4.859 -0.458) 5.022 2.877 ( -0.103 -1.843 1.706) 2.514 3.116 ( -6.103 -0.227 -1.317) 6.248 3.265 ( 3.690 0.938 0.872) 3.906 3.291 ( -5.980 1.953 -2.740) 6.862 3.602 ( -6.203 0.848 0.581) 6.288 3.742 ( -0.019 1.010 1.672) 1.953 3.880 ( -0.894 -2.004 -2.173) 3.088 4.067 ( -0.305 1.403 1.046) 1.776 5.627 ( -1.011 0.753 -0.074) 1.263 5.790 ( 1.316 5.131 0.241) 5.303 5.873 ( -1.084 0.240 -0.876) 1.414 6.053 ( 3.021 1.114 -3.367) 4.659 6.121 ( -0.817 2.101 0.117) 2.257 6.175 ( 1.572 1.789 -1.449) 2.788 6.254 ( 1.128 1.500 -0.660) 1.990 6.318 ( 2.831 3.480 4.244) 6.175 6.458 ( 7.800 -5.257 1.714) 9.561 6.836 ( -3.645 -1.151 -3.522) 5.197 6.964 ( -2.415 0.604 3.630) 4.402 7.063 ( -2.757 1.190 0.254) 3.014 7.681 ( 7.467 4.073 1.000) 8.564 7.861 ( 3.068 -7.519 -0.428) 8.132 8.000 ( -2.393 1.780 -0.742) 3.073 8.123 ( -0.586 -6.126 0.300) 6.161 8.240 ( -7.389 -2.710 6.264) 10.059 8.403 ( -1.698 -1.235 -0.124) 2.103 8.534 ( -3.068 -0.049 -1.661) 3.489 8.606 ( 8.534 -1.185 0.164) 8.618 8.976 ( -6.222 1.376 -0.436) 6.387 9.145 ( 2.016 0.083 -1.513) 2.522 9.193 ( 0.022 0.579 -1.832) 1.921 9.426 ( -2.571 3.713 -1.230) 4.681 ======================= Grid point 121 (40/75) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 15.928 0.000 9.089) 18.339 1.397 ( 15.140 0.000 10.270) 18.295 1.994 ( -2.481 -0.000 0.060) 2.482 2.063 ( 2.034 -0.000 6.097) 6.427 2.335 ( -5.559 0.000 -5.505) 7.824 2.376 ( 4.834 0.000 -3.538) 5.990 2.459 ( 5.143 0.000 1.957) 5.502 2.598 ( 9.736 0.000 6.615) 11.771 2.722 ( -0.208 -0.000 1.557) 1.571 2.777 ( -1.605 -0.000 -0.044) 1.606 2.894 ( 0.675 -0.000 2.612) 2.698 3.089 ( -2.465 -0.000 -1.882) 3.102 3.251 ( -5.482 -0.000 -4.432) 7.050 3.292 ( 3.979 0.000 1.836) 4.382 3.598 ( -4.558 -0.000 -2.104) 5.021 3.799 ( -1.661 -0.000 5.154) 5.415 3.816 ( -3.482 0.000 -4.912) 6.021 4.091 ( 0.370 -0.000 0.772) 0.856 5.630 ( -1.280 -0.000 -0.170) 1.291 5.835 ( 0.403 0.000 -0.117) 0.420 5.844 ( 0.214 0.000 -2.514) 2.523 6.007 ( 1.771 0.000 -4.191) 4.550 6.103 ( 1.649 0.000 -1.980) 2.577 6.198 ( 0.741 0.000 -0.655) 0.989 6.261 ( -0.262 -0.000 3.097) 3.108 6.399 ( 2.615 -0.000 3.093) 4.051 6.475 ( 8.321 0.000 5.182) 9.803 6.787 ( -4.079 -0.000 -2.229) 4.648 7.015 ( -1.758 -0.000 2.004) 2.666 7.074 ( -2.514 -0.000 0.191) 2.521 7.728 ( 6.102 0.000 1.360) 6.252 7.815 ( 4.175 0.000 2.132) 4.688 8.000 ( -1.422 -0.000 -0.900) 1.683 8.085 ( -1.244 -0.000 1.599) 2.026 8.303 ( -3.186 -0.000 3.574) 4.788 8.395 ( -6.608 -0.000 -0.347) 6.617 8.520 ( -2.555 -0.000 0.823) 2.684 8.594 ( 6.730 0.000 -0.793) 6.777 8.971 ( -4.970 -0.000 -1.768) 5.275 9.105 ( 2.344 0.000 -3.221) 3.983 9.177 ( 0.276 0.000 -1.746) 1.768 9.431 ( -2.535 -0.000 -1.810) 3.115 ======================= Grid point 128 (41/75) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 8.388 -5.016 0.000) 9.773 1.609 ( 8.351 -4.083 0.000) 9.295 1.927 ( -1.194 0.907 -0.000) 1.499 2.015 ( -5.010 5.402 -0.000) 7.367 2.308 ( 1.034 -2.062 0.000) 2.307 2.389 ( -2.599 4.130 -0.000) 4.880 2.552 ( 3.144 -4.133 0.000) 5.193 2.601 ( -1.239 -1.279 0.000) 1.781 2.881 ( 6.270 -5.740 0.000) 8.501 2.911 ( -1.363 -3.317 0.000) 3.586 2.947 ( -0.674 -2.639 0.000) 2.724 3.046 ( -6.387 5.114 -0.000) 8.182 3.124 ( 7.333 -6.494 0.000) 9.795 3.383 ( -9.115 6.999 -0.000) 11.492 3.444 ( 6.788 -2.707 0.000) 7.308 3.597 ( -3.006 7.833 -0.000) 8.390 3.965 ( 0.379 -2.558 0.000) 2.586 4.003 ( -1.832 0.793 -0.000) 1.997 5.604 ( 2.747 1.512 0.000) 3.136 5.642 ( 1.076 5.175 -0.000) 5.286 5.889 ( 2.765 -0.398 0.000) 2.793 5.954 ( -0.993 5.233 -0.000) 5.326 6.097 ( 3.805 0.940 0.000) 3.919 6.143 ( 0.358 4.041 -0.000) 4.056 6.215 ( 1.537 0.980 0.000) 1.823 6.227 ( 0.851 2.006 -0.000) 2.179 6.722 ( 5.822 -5.677 0.000) 8.132 6.843 ( -3.968 2.513 -0.000) 4.697 6.938 ( 0.219 -3.268 0.000) 3.275 6.989 ( -2.894 0.888 -0.000) 3.027 7.709 ( 5.958 -1.303 0.000) 6.099 7.826 ( -3.483 6.138 -0.000) 7.058 8.108 ( -1.729 -6.360 0.000) 6.591 8.149 ( -5.073 -2.907 -0.000) 5.847 8.367 ( -2.137 -6.898 0.000) 7.221 8.417 ( -4.788 -2.076 -0.000) 5.219 8.591 ( 4.455 -5.347 0.000) 6.960 8.733 ( -2.611 2.651 -0.000) 3.721 8.869 ( 5.366 -0.649 0.000) 5.405 9.013 ( -1.623 8.918 -0.000) 9.065 9.260 ( 0.998 -2.046 0.000) 2.276 9.305 ( -1.787 2.225 -0.000) 2.854 ======================= Grid point 129 (42/75) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 12.122 -5.139 3.211) 13.552 1.573 ( 12.663 -4.829 4.579) 14.305 1.955 ( -2.686 1.170 0.882) 3.059 2.068 ( -0.773 -0.483 2.299) 2.473 2.294 ( -3.530 1.778 -1.894) 4.383 2.410 ( -1.545 1.246 -3.411) 3.946 2.525 ( 0.976 0.387 2.487) 2.700 2.563 ( 0.335 -2.081 -1.358) 2.507 2.798 ( 7.334 -3.988 -1.251) 8.441 2.863 ( -2.729 -4.457 0.402) 5.242 2.932 ( 1.462 -2.119 2.174) 3.370 3.072 ( -0.023 -3.218 1.568) 3.580 3.125 ( -4.143 3.981 1.309) 5.893 3.392 ( 7.564 -1.937 -0.067) 7.808 3.485 ( -6.367 3.520 1.709) 7.473 3.690 ( -1.882 5.313 0.474) 5.656 3.895 ( -1.604 -2.618 -4.471) 5.423 4.037 ( -0.850 1.347 2.051) 2.596 5.622 ( 2.139 1.233 -0.249) 2.481 5.724 ( 0.762 5.894 0.394) 5.956 5.884 ( 2.721 0.063 -0.592) 2.785 6.023 ( -0.237 5.309 -1.930) 5.654 6.105 ( 2.515 1.428 -0.156) 2.896 6.166 ( 1.823 3.168 -2.773) 4.588 6.251 ( 2.245 2.314 0.531) 3.268 6.301 ( 2.535 4.103 4.368) 6.507 6.641 ( 6.906 -5.861 0.331) 9.064 6.822 ( -2.547 -2.075 -3.231) 4.608 6.932 ( -1.336 0.022 2.779) 3.083 7.006 ( -3.241 1.155 0.487) 3.475 7.723 ( 4.764 1.727 1.363) 5.248 7.881 ( -2.691 3.834 -2.667) 5.390 8.019 ( -2.269 -8.754 2.767) 9.457 8.146 ( -4.761 -3.027 5.328) 7.760 8.255 ( -2.133 -7.505 -0.683) 7.832 8.379 ( -5.437 -2.249 -1.192) 6.003 8.538 ( 2.312 -2.561 -0.142) 3.453 8.744 ( 5.415 0.095 -0.923) 5.494 8.875 ( -1.600 1.672 -0.299) 2.334 9.118 ( -0.101 5.342 0.332) 5.354 9.214 ( 0.962 -1.982 -2.464) 3.305 9.333 ( -2.998 3.586 -1.467) 4.899 ======================= Grid point 130 (43/75) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 13.311 -3.253 5.791) 14.876 1.609 ( 12.910 -2.478 7.415) 15.092 1.961 ( -2.358 -0.615 -0.537) 2.495 2.089 ( 0.571 -1.426 3.321) 3.659 2.252 ( -6.091 0.228 -6.395) 8.834 2.389 ( -0.028 1.700 -2.811) 3.285 2.519 ( 1.207 -2.076 1.448) 2.805 2.622 ( -2.178 5.682 2.452) 6.560 2.735 ( 2.849 -1.612 -2.422) 4.072 2.807 ( -3.076 -5.559 2.128) 6.701 2.954 ( 3.634 -0.194 3.117) 4.792 3.056 ( -2.096 -2.561 1.500) 3.633 3.186 ( 0.184 1.338 2.548) 2.884 3.376 ( 7.266 -0.623 0.300) 7.299 3.534 ( -2.841 1.855 -0.065) 3.393 3.750 ( -3.463 0.665 -0.915) 3.643 3.791 ( -2.938 -0.830 -3.431) 4.592 4.082 ( -0.220 1.279 1.477) 1.966 5.630 ( 1.747 0.564 -0.284) 1.857 5.794 ( -0.275 3.764 -0.378) 3.793 5.875 ( 3.116 0.582 -1.353) 3.447 6.019 ( 1.954 2.504 -5.461) 6.318 6.124 ( 1.427 0.241 -0.348) 1.488 6.194 ( 1.648 2.817 0.288) 3.276 6.270 ( 2.049 0.492 0.579) 2.186 6.410 ( 2.865 3.472 2.809) 5.306 6.603 ( 7.236 -2.762 2.938) 8.283 6.753 ( -2.429 -1.688 -1.602) 3.364 6.980 ( -1.617 1.518 1.912) 2.928 7.030 ( -2.961 1.008 0.576) 3.181 7.770 ( 2.322 1.416 1.644) 3.178 7.879 ( 1.033 0.422 -0.456) 1.205 7.969 ( -3.207 -4.703 3.655) 6.765 8.106 ( -3.678 -6.765 -0.226) 7.704 8.251 ( -3.209 -0.415 6.620) 7.369 8.325 ( -6.380 -1.722 -2.776) 7.167 8.512 ( 0.873 -1.170 -0.131) 1.466 8.722 ( 9.160 -0.455 -1.549) 9.301 8.892 ( -4.150 1.507 -0.746) 4.478 9.138 ( 1.486 -0.761 -3.117) 3.536 9.169 ( 0.168 1.306 -1.569) 2.049 9.364 ( -3.516 3.327 -1.197) 4.986 ======================= Grid point 131 (44/75) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 10.393 0.000 6.024) 12.013 1.687 ( 9.695 0.000 5.878) 11.338 1.943 ( -1.452 -0.000 -0.578) 1.563 2.074 ( -4.819 0.000 -5.753) 7.504 2.205 ( -1.653 -0.000 1.361) 2.141 2.353 ( 0.479 0.000 -3.627) 3.658 2.541 ( 1.041 -0.000 2.718) 2.910 2.665 ( -0.772 0.000 -1.867) 2.020 2.702 ( -4.176 -0.000 -1.715) 4.515 2.829 ( 0.049 -0.000 6.580) 6.581 2.986 ( -1.499 -0.000 0.961) 1.781 3.049 ( -0.887 -0.000 1.080) 1.398 3.248 ( 6.687 0.000 5.951) 8.952 3.378 ( 6.153 0.000 0.219) 6.157 3.536 ( -0.124 0.000 -1.183) 1.189 3.629 ( -6.932 0.000 -10.739) 12.782 3.844 ( -2.505 -0.000 5.311) 5.872 4.102 ( 0.365 0.000 0.054) 0.369 5.630 ( 1.728 0.000 -0.268) 1.749 5.807 ( -0.141 0.000 -1.092) 1.101 5.851 ( 2.946 0.000 -2.960) 4.177 5.976 ( 1.390 0.000 -3.065) 3.365 6.112 ( 2.535 0.000 -0.959) 2.711 6.197 ( 1.398 0.000 -1.321) 1.924 6.322 ( 0.223 -0.000 5.017) 5.022 6.457 ( 1.703 0.000 0.509) 1.777 6.608 ( 3.376 0.000 -0.263) 3.386 6.763 ( 0.860 -0.000 4.377) 4.461 6.986 ( -2.316 0.000 -3.477) 4.177 7.054 ( -1.648 -0.000 1.657) 2.337 7.816 ( 0.456 -0.000 4.596) 4.619 7.887 ( 3.458 0.000 0.796) 3.549 7.975 ( -1.830 -0.000 1.177) 2.176 8.062 ( -4.887 -0.000 1.602) 5.143 8.257 ( -5.787 -0.000 -4.784) 7.509 8.346 ( -3.450 -0.000 6.842) 7.663 8.499 ( -0.783 0.000 -0.784) 1.108 8.696 ( 10.131 0.000 -1.790) 10.287 8.890 ( -3.572 -0.000 -1.088) 3.734 9.086 ( 1.326 0.000 -3.016) 3.295 9.158 ( -0.114 0.000 -1.533) 1.537 9.378 ( -2.408 -0.000 -0.469) 2.454 ======================= Grid point 137 (45/75) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 2.494 2.494 2.529) 4.340 1.694 ( 2.513 2.513 2.422) 4.301 1.963 ( 0.632 0.632 1.974) 2.167 1.986 ( 1.170 1.170 3.249) 3.646 2.316 ( -1.490 -1.490 -3.358) 3.965 2.335 ( -0.280 -0.280 -0.792) 0.886 2.540 ( -1.787 -1.787 -1.439) 2.908 2.584 ( -0.989 -0.989 -0.007) 1.399 2.857 ( -4.123 -4.123 -2.285) 6.262 2.866 ( -3.104 -3.104 -1.884) 4.777 2.958 ( -1.531 -1.531 0.326) 2.190 3.013 ( 0.430 0.430 3.449) 3.502 3.274 ( -0.940 -0.940 3.495) 3.739 3.302 ( 1.826 1.826 5.066) 5.686 3.548 ( 3.906 3.906 -0.965) 5.607 3.562 ( 2.909 2.909 0.249) 4.122 3.903 ( -2.302 -2.302 -5.914) 6.750 4.020 ( -0.142 -0.142 2.969) 2.976 5.641 ( 2.896 2.896 -1.180) 4.262 5.675 ( 2.763 2.763 1.444) 4.165 5.927 ( 2.641 2.641 -1.944) 4.210 5.957 ( 2.258 2.258 0.460) 3.226 6.121 ( 1.801 1.801 -2.000) 3.238 6.149 ( 3.437 3.437 -1.786) 5.178 6.252 ( 2.498 2.498 0.865) 3.638 6.287 ( 3.317 3.317 4.162) 6.271 6.765 ( -0.801 -0.801 -0.961) 1.485 6.793 ( -0.448 -0.448 -0.647) 0.906 6.937 ( -1.758 -1.758 -0.519) 2.540 6.958 ( -0.914 -0.914 1.619) 2.071 7.765 ( 0.853 0.853 -1.207) 1.707 7.806 ( 1.391 1.391 1.541) 2.499 8.082 ( -3.814 -3.814 2.131) 5.799 8.117 ( -5.047 -5.047 4.870) 8.641 8.317 ( -4.203 -4.203 -1.624) 6.162 8.333 ( -5.026 -5.026 -0.961) 7.173 8.639 ( -1.133 -1.133 -1.187) 1.994 8.672 ( -0.243 -0.243 1.518) 1.557 8.937 ( 3.677 3.677 -4.004) 6.562 9.041 ( 4.144 4.144 3.456) 6.803 9.254 ( -0.635 -0.635 -2.594) 2.745 9.267 ( -0.383 -0.383 -1.644) 1.731 ======================= Grid point 139 (46/75) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 7.618 -1.419 2.451) 8.128 1.766 ( 5.453 0.902 3.976) 6.809 1.974 ( 3.364 -2.181 2.406) 4.676 2.090 ( -1.908 3.141 2.987) 4.736 2.192 ( -3.422 -3.429 -6.676) 8.248 2.338 ( -2.790 1.825 -1.515) 3.662 2.545 ( -1.217 1.184 2.291) 2.852 2.554 ( -0.519 -1.675 -0.771) 1.916 2.758 ( -3.476 -4.396 -2.502) 6.137 2.810 ( -4.280 -2.464 -0.540) 4.968 2.950 ( -1.983 -1.456 1.931) 3.127 3.050 ( -2.638 -0.764 0.879) 2.884 3.281 ( 6.697 -3.108 6.417) 9.782 3.438 ( -0.554 3.339 3.754) 5.055 3.532 ( 8.680 -0.667 0.399) 8.715 3.669 ( -3.132 5.528 0.926) 6.421 3.766 ( -3.156 -2.212 -8.371) 9.216 4.062 ( 0.008 1.025 2.159) 2.390 5.656 ( 3.672 1.577 -0.768) 4.069 5.740 ( 0.453 3.720 1.018) 3.884 5.916 ( 4.699 1.635 -3.042) 5.832 5.992 ( 1.436 4.127 -3.352) 5.508 6.133 ( 1.460 1.147 0.930) 2.077 6.179 ( 2.800 3.512 -0.382) 4.507 6.291 ( 3.301 2.259 -0.327) 4.014 6.394 ( 3.439 4.544 2.524) 6.233 6.727 ( 3.825 -3.253 0.163) 5.024 6.759 ( -1.501 -2.262 -0.905) 2.861 6.929 ( -2.568 1.287 0.638) 2.943 6.983 ( -1.158 1.022 0.936) 1.805 7.766 ( -1.020 -0.274 1.905) 2.178 7.846 ( -1.427 0.728 1.996) 2.559 8.044 ( -0.243 -6.612 2.890) 7.220 8.118 ( -6.477 -4.419 0.816) 7.883 8.241 ( -2.825 -3.806 2.958) 5.587 8.271 ( -5.943 -2.995 -1.353) 6.791 8.576 ( 2.720 -3.557 -0.837) 4.555 8.732 ( -3.073 3.528 1.185) 4.827 8.909 ( 6.722 0.819 -3.340) 7.550 9.133 ( 0.909 2.978 0.420) 3.142 9.184 ( 0.925 -2.082 -3.469) 4.150 9.267 ( -2.751 3.579 -1.308) 4.699 ======================= Grid point 140 (47/75) ======================= q-point: (-0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 4.531 -0.551 -1.151) 4.708 1.795 ( 3.900 -1.887 -1.090) 4.467 1.973 ( 3.755 -1.379 2.072) 4.505 2.032 ( -2.017 -2.068 -4.480) 5.330 2.190 ( -0.436 0.888 3.711) 3.841 2.339 ( -1.402 1.284 -2.277) 2.967 2.520 ( -4.197 -0.968 -0.260) 4.315 2.612 ( -2.842 1.919 1.654) 3.808 2.683 ( -0.754 -1.979 -1.152) 2.411 2.815 ( -2.285 0.648 3.552) 4.273 2.958 ( -2.268 -1.848 1.948) 3.515 3.037 ( -3.571 -1.892 1.180) 4.211 3.327 ( 3.569 -0.536 2.360) 4.313 3.478 ( 3.691 -1.569 -4.676) 6.160 3.522 ( -0.671 0.413 -1.413) 1.618 3.602 ( 4.060 -0.133 -2.815) 4.942 3.794 ( -3.194 1.887 5.339) 6.501 4.098 ( 0.570 1.193 0.633) 1.466 5.665 ( 3.898 0.841 -0.287) 3.998 5.790 ( -0.005 2.041 0.378) 2.076 5.893 ( 4.516 1.695 -4.109) 6.336 5.981 ( 2.244 2.613 -4.215) 5.444 6.153 ( 2.980 -0.000 0.576) 3.035 6.213 ( 2.111 1.296 -1.336) 2.814 6.320 ( 1.380 1.803 2.217) 3.174 6.458 ( 1.686 2.530 -0.284) 3.054 6.653 ( 1.318 -2.721 -3.006) 4.263 6.787 ( 1.288 0.366 5.213) 5.382 6.944 ( -1.631 0.805 -2.692) 3.249 7.018 ( -1.331 2.247 1.726) 3.131 7.808 ( -1.974 -0.924 4.841) 5.309 7.890 ( -1.779 0.663 3.141) 3.670 7.999 ( 0.124 -3.941 0.709) 4.006 8.024 ( -5.644 -4.932 -1.095) 7.575 8.198 ( -5.480 -3.232 -2.050) 6.684 8.296 ( -3.961 -0.112 5.098) 6.457 8.527 ( 2.244 -1.875 -0.938) 3.071 8.785 ( 0.454 1.832 0.999) 2.136 8.879 ( 6.113 0.601 -2.417) 6.601 9.106 ( 0.403 -1.158 -3.130) 3.362 9.145 ( -0.833 0.518 -1.949) 2.182 9.323 ( -1.499 3.524 1.035) 3.967 ======================= Grid point 141 (48/75) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -2.567 0.000 -9.266) 9.614 1.686 ( -5.082 0.000 -10.187) 11.384 1.977 ( 1.760 0.000 1.289) 2.182 2.054 ( 7.592 -0.000 6.932) 10.281 2.243 ( 0.507 -0.000 2.469) 2.520 2.319 ( -0.188 0.000 -0.856) 0.876 2.500 ( -5.544 -0.000 -2.390) 6.037 2.602 ( -3.341 -0.000 -1.861) 3.824 2.716 ( 1.144 -0.000 4.212) 4.365 2.865 ( -2.148 -0.000 0.754) 2.276 2.983 ( -0.777 -0.000 5.322) 5.379 3.042 ( -2.022 -0.000 1.187) 2.345 3.269 ( -8.511 0.000 -17.101) 19.102 3.324 ( -0.637 0.000 -1.714) 1.829 3.557 ( 4.841 0.000 2.021) 5.246 3.641 ( 9.580 0.000 6.625) 11.648 3.880 ( -2.362 -0.000 4.958) 5.492 4.104 ( 0.908 0.000 -1.027) 1.371 5.669 ( 4.294 0.000 -0.063) 4.294 5.807 ( 0.629 0.000 0.418) 0.755 5.844 ( 3.602 0.000 -4.103) 5.460 5.959 ( 0.984 0.000 -2.041) 2.266 6.151 ( 4.861 0.000 -1.135) 4.992 6.192 ( 0.491 0.000 -1.367) 1.452 6.380 ( -0.573 -0.000 2.981) 3.036 6.456 ( 0.424 0.000 -2.447) 2.484 6.592 ( -0.307 0.000 -3.449) 3.463 6.873 ( -1.610 -0.000 3.832) 4.157 6.891 ( 2.471 0.000 -2.129) 3.262 7.063 ( -0.804 -0.000 1.756) 1.931 7.831 ( -2.778 -0.000 -1.119) 2.995 7.939 ( 0.210 -0.000 1.551) 1.565 7.944 ( -3.303 -0.000 -1.452) 3.608 8.022 ( -4.458 -0.000 2.386) 5.056 8.166 ( -3.394 -0.000 3.176) 4.648 8.342 ( -5.426 -0.000 1.436) 5.612 8.508 ( 2.375 0.000 0.479) 2.423 8.802 ( 6.626 0.000 -0.556) 6.649 8.864 ( 2.172 0.000 -0.203) 2.182 9.066 ( 0.562 0.000 -1.461) 1.565 9.128 ( -1.567 -0.000 -0.944) 1.829 9.368 ( -0.341 -0.000 1.706) 1.740 ======================= Grid point 148 (49/75) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 0.056 0.056 -5.607) 5.608 1.835 ( 0.381 0.381 -3.142) 3.188 2.005 ( -2.377 -2.377 -4.925) 5.963 2.079 ( 1.780 1.780 3.710) 4.483 2.163 ( 1.728 1.728 4.933) 5.505 2.307 ( -0.993 -0.993 0.320) 1.440 2.495 ( -3.495 -3.495 -2.345) 5.470 2.575 ( -0.505 -0.505 2.401) 2.505 2.702 ( -1.098 -1.098 -1.199) 1.962 2.782 ( -1.129 -1.129 3.115) 3.501 2.963 ( -2.165 -2.165 4.539) 5.475 3.020 ( -3.007 -3.007 0.399) 4.271 3.357 ( 0.738 0.738 -0.599) 1.203 3.475 ( -3.417 -3.417 -12.055) 12.987 3.545 ( 2.468 2.468 0.633) 3.547 3.686 ( 2.413 2.413 5.012) 6.064 3.717 ( 1.256 1.256 4.109) 4.476 4.093 ( 1.225 1.225 0.996) 1.999 5.693 ( 3.241 3.241 -0.729) 4.641 5.768 ( 1.146 1.146 1.573) 2.259 5.916 ( 3.721 3.721 -4.746) 7.087 5.975 ( 3.195 3.195 -4.446) 6.338 6.175 ( 1.374 1.374 1.564) 2.494 6.219 ( 2.536 2.536 0.880) 3.693 6.316 ( 2.041 2.041 -1.659) 3.329 6.450 ( 2.577 2.577 -0.388) 3.664 6.704 ( -0.715 -0.715 -4.291) 4.408 6.768 ( -1.063 -1.063 2.574) 2.982 6.947 ( 1.003 1.003 3.854) 4.107 6.974 ( 0.736 0.736 -1.868) 2.138 7.800 ( -2.330 -2.330 6.714) 7.479 7.870 ( -1.181 -1.181 3.553) 3.926 8.012 ( -6.144 -6.144 -2.953) 9.177 8.041 ( -1.648 -1.648 -2.067) 3.115 8.193 ( -5.945 -5.945 2.622) 8.806 8.259 ( -1.741 -1.741 3.024) 3.899 8.569 ( -0.496 -0.496 -1.609) 1.755 8.751 ( 1.271 1.271 2.723) 3.263 8.938 ( 4.182 4.182 -2.937) 6.604 9.117 ( -0.622 -0.622 -2.476) 2.628 9.139 ( -1.102 -1.102 -3.033) 3.409 9.276 ( 2.794 2.794 2.060) 4.457 ======================= Grid point 149 (50/75) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -3.814 -1.615 -12.661) 13.322 1.645 ( -5.036 -3.892 -15.160) 16.442 2.007 ( 1.601 -0.182 2.920) 3.335 2.141 ( 3.744 0.784 3.976) 5.517 2.253 ( 2.762 0.125 3.929) 4.804 2.309 ( -1.662 -0.180 0.748) 1.831 2.434 ( -5.252 -1.289 -1.339) 5.571 2.582 ( -0.322 -0.971 -0.182) 1.039 2.697 ( 0.264 3.088 -0.432) 3.130 2.845 ( -1.317 -0.851 4.821) 5.069 2.991 ( -0.447 -1.888 3.578) 4.070 3.023 ( -2.246 -1.016 5.277) 5.825 3.179 ( -7.573 -3.615 -19.495) 21.225 3.320 ( -0.353 -0.358 -4.316) 4.345 3.610 ( 4.559 2.272 1.434) 5.292 3.756 ( 5.850 -1.162 6.596) 8.893 3.835 ( -2.386 1.889 6.151) 6.862 4.112 ( 1.521 1.223 -1.024) 2.204 5.723 ( 4.685 1.804 0.040) 5.020 5.805 ( 0.403 1.043 1.222) 1.656 5.894 ( 4.632 1.764 -4.449) 6.660 5.956 ( 1.876 2.820 -3.885) 5.154 6.188 ( 0.618 0.720 -2.459) 2.635 6.236 ( 5.154 -0.980 -0.168) 5.249 6.340 ( -1.429 3.329 0.821) 3.715 6.454 ( 0.553 0.753 -2.233) 2.421 6.604 ( -0.499 -1.885 -6.962) 7.230 6.823 ( -1.400 1.744 3.638) 4.270 6.950 ( 3.756 -0.388 0.476) 3.806 7.032 ( -1.034 2.102 3.009) 3.813 7.808 ( -4.117 -3.334 -2.958) 6.067 7.907 ( -2.689 -0.502 1.454) 3.098 7.931 ( -2.775 -3.103 2.738) 4.982 7.992 ( -1.851 -0.224 -1.928) 2.682 8.151 ( -4.538 -5.610 5.346) 8.980 8.281 ( -3.685 -0.414 1.652) 4.059 8.544 ( 1.465 -0.587 -0.532) 1.666 8.808 ( 0.097 1.223 2.535) 2.816 8.949 ( 7.062 2.017 -1.685) 7.535 9.076 ( -0.087 -0.935 -1.109) 1.453 9.102 ( -1.760 -0.127 -0.908) 1.985 9.350 ( 1.337 2.805 2.341) 3.891 ======================= Grid point 150 (51/75) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -7.124 0.000 -17.888) 19.254 1.408 ( -8.793 0.000 -15.852) 18.128 2.039 ( 1.695 -0.000 2.089) 2.690 2.198 ( -0.562 -0.000 2.388) 2.454 2.249 ( -2.199 0.000 -6.767) 7.115 2.319 ( 1.532 -0.000 2.774) 3.168 2.414 ( -1.388 -0.000 -0.495) 1.474 2.557 ( 1.629 0.000 -1.851) 2.466 2.740 ( -1.842 -0.000 -1.152) 2.172 2.831 ( -3.797 0.000 -4.866) 6.172 2.938 ( -5.016 -0.000 -3.898) 6.353 3.034 ( 1.851 0.000 0.695) 1.978 3.119 ( -0.144 -0.000 8.640) 8.641 3.263 ( -2.830 -0.000 -2.380) 3.698 3.644 ( 4.158 0.000 1.633) 4.467 3.832 ( 5.080 -0.000 5.352) 7.379 3.912 ( -1.065 -0.000 3.094) 3.272 4.094 ( 0.897 0.000 -2.616) 2.766 5.737 ( 5.388 0.000 -0.005) 5.388 5.821 ( 0.655 0.000 -0.359) 0.748 5.853 ( 4.184 0.000 -1.837) 4.569 5.947 ( 0.324 0.000 -0.874) 0.932 6.132 ( -0.899 0.000 -4.899) 4.980 6.232 ( 5.103 0.000 0.158) 5.106 6.381 ( -1.656 -0.000 -0.073) 1.657 6.411 ( -0.267 0.000 -4.272) 4.280 6.482 ( -3.779 0.000 -8.304) 9.124 6.877 ( 3.416 0.000 2.758) 4.390 6.991 ( 2.499 -0.000 4.216) 4.901 7.077 ( -0.895 -0.000 1.990) 2.182 7.708 ( -5.798 0.000 -6.812) 8.945 7.850 ( -1.095 0.000 -5.640) 5.745 7.949 ( -6.406 -0.000 -2.317) 6.812 7.974 ( -1.092 -0.000 2.438) 2.672 8.239 ( -1.937 -0.000 9.273) 9.473 8.300 ( -3.337 -0.000 3.861) 5.104 8.539 ( 0.996 0.000 0.025) 0.996 8.848 ( -0.052 -0.000 2.285) 2.286 8.941 ( 8.633 0.000 -1.660) 8.791 9.070 ( 0.776 -0.000 0.901) 1.189 9.106 ( -1.541 -0.000 1.270) 1.996 9.402 ( 0.941 -0.000 2.279) 2.466 ======================= Grid point 158 (52/75) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -4.615 -4.615 -18.088) 19.229 1.335 ( -4.918 -4.918 -19.232) 20.451 2.054 ( 0.139 0.139 2.194) 2.203 2.159 ( -2.721 -2.721 -5.501) 6.713 2.251 ( -0.170 -0.170 -4.726) 4.732 2.360 ( 0.777 0.777 3.704) 3.864 2.378 ( -0.901 -0.901 0.865) 1.540 2.634 ( 3.176 3.176 3.273) 5.558 2.649 ( 1.808 1.808 -8.041) 8.438 2.854 ( -4.759 -4.759 -10.570) 12.531 2.872 ( -4.380 -4.380 4.605) 7.719 3.058 ( 2.879 2.879 3.342) 5.268 3.116 ( -0.054 -0.054 8.492) 8.492 3.241 ( -2.210 -2.210 -3.121) 4.417 3.674 ( 2.271 2.271 1.227) 3.437 3.880 ( 0.921 0.921 4.243) 4.438 3.891 ( 0.108 0.108 4.792) 4.794 4.101 ( 0.938 0.938 -3.444) 3.690 5.781 ( 3.199 3.199 0.069) 4.525 5.822 ( 0.631 0.631 -0.220) 0.919 5.901 ( 2.742 2.742 -2.399) 4.560 5.933 ( 1.544 1.544 -1.736) 2.789 6.120 ( -1.656 -1.656 -5.382) 5.869 6.300 ( 2.704 2.704 -0.687) 3.885 6.331 ( 1.178 1.178 -0.584) 1.766 6.418 ( -0.547 -0.547 -3.145) 3.239 6.452 ( -2.756 -2.756 -10.040) 10.770 6.908 ( 1.974 1.974 6.625) 7.189 7.003 ( 2.848 2.848 1.017) 4.155 7.068 ( -0.687 -0.687 3.361) 3.498 7.662 ( -4.138 -4.138 -7.082) 9.187 7.868 ( -0.989 -0.989 -5.259) 5.442 7.887 ( -2.815 -2.815 -4.645) 6.117 7.964 ( -1.112 -1.112 2.356) 2.833 8.234 ( -3.663 -3.663 14.313) 15.222 8.266 ( -1.094 -1.094 1.135) 1.918 8.547 ( 0.300 0.300 -0.664) 0.788 8.845 ( 0.012 0.012 2.199) 2.199 9.009 ( 4.220 4.220 -1.054) 6.060 9.078 ( -0.045 -0.045 1.429) 1.431 9.091 ( -0.547 -0.547 1.693) 1.862 9.404 ( 1.778 1.778 2.130) 3.296 ======================= Grid point 159 (53/75) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -5.982 0.000 -21.332) 22.155 1.036 ( -8.995 0.000 -20.462) 22.352 1.845 ( -8.589 0.000 -31.618) 32.764 2.079 ( 0.077 -0.000 1.318) 1.321 2.247 ( 1.145 -0.000 1.579) 1.951 2.386 ( 0.904 -0.000 2.249) 2.423 2.405 ( -1.725 -0.000 1.296) 2.158 2.546 ( 1.441 0.000 -5.191) 5.387 2.725 ( 3.007 0.000 2.142) 3.692 2.766 ( -0.919 -0.000 0.068) 0.922 2.916 ( -4.841 -0.000 7.234) 8.705 3.055 ( 2.955 0.000 -6.008) 6.695 3.242 ( 0.028 -0.000 8.534) 8.534 3.251 ( -1.175 -0.000 6.815) 6.915 3.707 ( 2.005 0.000 1.438) 2.467 3.925 ( 1.856 -0.000 1.918) 2.669 3.932 ( 0.786 0.000 0.242) 0.822 4.047 ( -0.912 0.000 -4.621) 4.710 5.791 ( 3.174 0.000 -1.569) 3.541 5.814 ( -0.004 0.000 -1.376) 1.376 5.901 ( 4.713 0.000 -0.341) 4.726 5.954 ( 0.115 -0.000 1.729) 1.733 6.034 ( -3.720 0.000 -3.883) 5.377 6.261 ( -1.385 0.000 -8.259) 8.374 6.299 ( 1.908 0.000 -4.217) 4.628 6.356 ( -0.975 0.000 -1.562) 1.842 6.365 ( -0.999 0.000 -3.572) 3.709 7.002 ( 6.229 0.000 4.130) 7.474 7.061 ( 1.397 -0.000 1.975) 2.419 7.099 ( -1.241 -0.000 4.076) 4.261 7.539 ( -4.534 0.000 -6.566) 7.979 7.758 ( -0.149 0.000 -6.486) 6.487 7.799 ( -5.717 0.000 -5.842) 8.174 7.989 ( -1.663 -0.000 2.088) 2.669 8.279 ( 0.034 -0.000 1.992) 1.992 8.409 ( -2.728 -0.000 13.962) 14.226 8.538 ( 0.126 0.000 -0.948) 0.956 8.869 ( -0.843 -0.000 1.856) 2.039 9.024 ( 6.672 0.000 -1.527) 6.845 9.106 ( 0.817 -0.000 2.334) 2.473 9.121 ( -0.856 -0.000 2.806) 2.933 9.445 ( 1.122 -0.000 1.661) 2.004 ======================= Grid point 168 (54/75) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 0.000 0.000 -23.704) 23.704 0.656 ( 0.000 0.000 -23.704) 23.704 1.255 ( 0.000 0.000 -43.024) 43.024 2.094 ( -0.000 -0.000 0.853) 0.853 2.290 ( -0.000 -0.000 3.151) 3.151 2.408 ( -0.000 -0.000 0.852) 0.852 2.408 ( -0.000 -0.000 0.852) 0.852 2.498 ( 0.000 0.000 -3.298) 3.298 2.768 ( -0.000 -0.000 0.690) 0.690 2.768 ( -0.000 -0.000 0.690) 0.690 2.981 ( 0.000 0.000 -5.536) 5.536 3.018 ( -0.000 -0.000 10.014) 10.014 3.351 ( -0.000 -0.000 7.126) 7.126 3.351 ( -0.000 -0.000 7.126) 7.126 3.742 ( -0.000 -0.000 1.554) 1.554 3.942 ( 0.000 0.000 -7.646) 7.646 3.946 ( 0.000 0.000 -0.404) 0.404 3.946 ( 0.000 0.000 -0.404) 0.404 5.783 ( 0.000 0.000 -1.992) 1.992 5.783 ( 0.000 0.000 -1.992) 1.992 5.916 ( 0.000 0.000 -4.427) 4.427 5.990 ( -0.000 -0.000 3.004) 3.004 5.990 ( -0.000 -0.000 3.004) 3.004 6.106 ( 0.000 0.000 -8.488) 8.488 6.269 ( 0.000 0.000 -4.319) 4.319 6.321 ( 0.000 0.000 -2.663) 2.663 6.321 ( 0.000 0.000 -2.663) 2.663 7.082 ( -0.000 -0.000 0.293) 0.293 7.082 ( -0.000 -0.000 0.293) 0.293 7.181 ( -0.000 -0.000 7.794) 7.794 7.429 ( 0.000 0.000 -4.755) 4.755 7.678 ( 0.000 0.000 -4.842) 4.842 7.678 ( 0.000 0.000 -4.842) 4.842 7.990 ( -0.000 -0.000 0.175) 0.175 8.318 ( -0.000 -0.000 3.422) 3.422 8.522 ( 0.000 0.000 -1.519) 1.519 8.564 ( -0.000 -0.000 11.301) 11.301 8.885 ( -0.000 -0.000 1.895) 1.895 9.064 ( 0.000 0.000 -1.482) 1.482 9.144 ( -0.000 -0.000 2.177) 2.177 9.144 ( -0.000 -0.000 2.177) 2.177 9.471 ( -0.000 -0.000 0.932) 0.932 ======================= Grid point 189 (55/75) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 1.940 1.940 3.816) 4.700 1.791 ( 1.932 1.932 1.904) 3.331 2.121 ( 1.689 1.689 2.319) 3.329 2.136 ( 1.551 1.551 -1.617) 2.725 2.261 ( 0.239 0.239 1.629) 1.663 2.271 ( -0.228 -0.228 -0.304) 0.443 2.421 ( -2.262 -2.262 -2.201) 3.883 2.428 ( -3.113 -3.113 -3.045) 5.352 2.883 ( 3.161 3.161 0.971) 4.575 2.911 ( 0.609 0.609 -1.090) 1.389 3.106 ( -0.290 -0.290 -0.018) 0.410 3.121 ( -0.959 -0.959 0.718) 1.534 3.337 ( 1.809 1.809 0.587) 2.625 3.378 ( -0.103 -0.103 0.120) 0.188 3.551 ( 7.248 7.248 8.830) 13.530 3.723 ( -3.588 -3.588 0.386) 5.089 3.842 ( -0.403 -0.403 -6.474) 6.499 3.879 ( -3.814 -3.814 -0.408) 5.410 5.618 ( 1.130 1.130 0.510) 1.678 5.675 ( -2.821 -2.821 2.269) 4.589 5.781 ( -0.387 -0.387 -1.707) 1.793 5.782 ( -0.443 -0.443 -2.800) 2.869 6.133 ( 0.237 0.237 1.651) 1.685 6.140 ( -0.485 -0.485 1.636) 1.774 6.242 ( -0.262 -0.262 -0.750) 0.837 6.268 ( -2.101 -2.101 0.239) 2.980 6.741 ( 4.179 4.179 1.681) 6.144 6.833 ( -1.717 -1.717 1.102) 2.666 6.877 ( 0.260 0.260 -0.586) 0.692 6.907 ( -2.673 -2.673 -4.072) 5.557 7.979 ( 1.779 1.779 7.551) 7.959 7.983 ( 1.033 1.033 5.468) 5.660 8.142 ( 0.408 0.408 -4.912) 4.946 8.151 ( -0.636 -0.636 -6.328) 6.391 8.412 ( 4.131 4.131 2.016) 6.181 8.532 ( -4.574 -4.574 2.976) 7.121 8.601 ( 4.093 4.093 0.014) 5.788 8.629 ( 1.214 1.214 -1.751) 2.452 8.893 ( 1.535 1.535 -2.505) 3.315 8.995 ( -4.695 -4.695 3.040) 7.303 9.105 ( 0.316 0.316 -1.077) 1.166 9.124 ( -1.489 -1.489 -3.329) 3.939 ======================= Grid point 194 (56/75) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 19.547 0.000 0.000) 19.547 1.220 ( 19.054 0.000 0.000) 19.054 1.924 ( 10.754 0.000 0.000) 10.754 2.018 ( -3.837 -0.000 -0.000) 3.837 2.396 ( 18.345 0.000 0.000) 18.345 2.421 ( 0.150 0.000 0.000) 0.150 2.443 ( -1.250 -0.000 -0.000) 1.250 2.492 ( -2.522 -0.000 -0.000) 2.522 2.751 ( -1.978 -0.000 -0.000) 1.978 2.765 ( 1.158 0.000 0.000) 1.158 2.851 ( -0.409 -0.000 -0.000) 0.409 3.127 ( -8.748 -0.000 -0.000) 8.748 3.253 ( 7.892 0.000 0.000) 7.892 3.338 ( -10.387 -0.000 -0.000) 10.387 3.597 ( -5.530 -0.000 -0.000) 5.530 3.738 ( 0.166 0.000 0.000) 0.166 3.881 ( 0.986 0.000 0.000) 0.986 4.069 ( -0.723 -0.000 -0.000) 0.723 5.633 ( -1.119 -0.000 -0.000) 1.119 5.823 ( 1.581 0.000 0.000) 1.581 5.886 ( -2.280 -0.000 -0.000) 2.280 6.077 ( 4.687 0.000 0.000) 4.687 6.138 ( -1.851 -0.000 -0.000) 1.851 6.207 ( 3.143 0.000 0.000) 3.143 6.266 ( 0.917 0.000 0.000) 0.917 6.348 ( 2.454 0.000 0.000) 2.454 6.375 ( 8.067 0.000 0.000) 8.067 6.871 ( -3.666 -0.000 -0.000) 3.666 6.920 ( -3.458 -0.000 -0.000) 3.458 7.073 ( -2.903 -0.000 -0.000) 2.903 7.741 ( 8.635 0.000 0.000) 8.635 7.770 ( 4.117 0.000 0.000) 4.117 8.039 ( -1.323 -0.000 -0.000) 1.323 8.105 ( -10.884 -0.000 -0.000) 10.884 8.122 ( 0.632 0.000 0.000) 0.632 8.399 ( -1.691 -0.000 -0.000) 1.691 8.547 ( -4.544 -0.000 -0.000) 4.544 8.595 ( 10.134 0.000 0.000) 10.134 8.989 ( -6.150 -0.000 -0.000) 6.150 9.155 ( 2.251 0.000 0.000) 2.251 9.210 ( -0.203 -0.000 -0.000) 0.203 9.461 ( -3.291 -0.000 -0.000) 3.291 ======================= Grid point 203 (57/75) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 16.374 -3.648 0.000) 16.776 1.482 ( 15.766 -3.093 0.000) 16.066 1.967 ( -2.383 0.755 -0.000) 2.500 2.022 ( 2.041 -2.547 0.000) 3.264 2.359 ( -4.396 4.934 -0.000) 6.609 2.436 ( -1.139 -2.403 0.000) 2.660 2.477 ( -2.232 -2.237 0.000) 3.160 2.582 ( 3.153 3.424 -0.000) 4.654 2.747 ( 4.302 -4.344 0.000) 6.114 2.832 ( 3.818 -0.542 0.000) 3.856 2.883 ( 3.132 -2.656 0.000) 4.107 3.020 ( -5.965 -1.878 -0.000) 6.253 3.184 ( -7.959 3.569 -0.000) 8.723 3.372 ( 7.923 -0.964 0.000) 7.981 3.510 ( -4.913 2.026 -0.000) 5.315 3.727 ( -1.196 0.886 -0.000) 1.488 3.901 ( 0.262 -1.358 0.000) 1.383 4.039 ( -2.002 1.413 -0.000) 2.451 5.634 ( 1.770 0.442 0.000) 1.825 5.796 ( -0.447 4.341 -0.000) 4.363 5.888 ( 2.851 0.197 0.000) 2.857 6.092 ( -1.775 2.997 -0.000) 3.483 6.133 ( 4.599 1.147 0.000) 4.740 6.244 ( 3.764 1.850 0.000) 4.195 6.271 ( 2.501 2.778 -0.000) 3.738 6.330 ( 3.701 5.821 -0.000) 6.898 6.549 ( 7.210 -6.655 0.000) 9.812 6.835 ( -2.651 -1.398 -0.000) 2.997 6.884 ( -2.616 -0.800 -0.000) 2.736 7.021 ( -3.385 1.273 -0.000) 3.617 7.771 ( 5.814 5.667 0.000) 8.119 7.872 ( -1.804 -7.600 0.000) 7.811 7.989 ( -2.779 5.649 -0.000) 6.295 8.026 ( -5.291 -7.140 0.000) 8.887 8.155 ( -2.283 -6.666 0.000) 7.046 8.363 ( -5.164 -1.267 -0.000) 5.317 8.518 ( 0.278 -0.973 0.000) 1.012 8.747 ( 9.010 -0.466 0.000) 9.022 8.901 ( -3.514 1.583 -0.000) 3.854 9.168 ( 0.359 1.964 -0.000) 1.997 9.210 ( 0.404 -0.773 0.000) 0.872 9.386 ( -4.346 2.624 -0.000) 5.077 ======================= Grid point 204 (58/75) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 16.954 0.000 3.533) 17.319 1.499 ( 15.723 0.000 5.352) 16.609 1.966 ( -1.772 -0.000 -0.504) 1.842 2.027 ( 1.820 -0.000 3.164) 3.650 2.346 ( -4.859 0.000 -6.486) 8.105 2.422 ( -1.387 -0.000 0.388) 1.441 2.477 ( -0.819 -0.000 1.784) 1.963 2.644 ( 6.400 0.000 3.783) 7.435 2.697 ( -5.041 -0.000 -0.686) 5.087 2.797 ( 2.890 0.000 -3.873) 4.833 2.899 ( 8.086 0.000 4.137) 9.083 3.019 ( -6.936 -0.000 1.398) 7.075 3.199 ( -6.602 -0.000 -1.139) 6.699 3.367 ( 7.675 0.000 0.295) 7.681 3.537 ( -3.681 -0.000 1.438) 3.952 3.735 ( -1.707 -0.000 1.133) 2.049 3.858 ( -0.831 0.000 -4.765) 4.837 4.066 ( -1.217 -0.000 1.947) 2.296 5.636 ( 1.636 0.000 -0.113) 1.640 5.827 ( -1.524 -0.000 -0.071) 1.526 5.888 ( 3.491 0.000 -0.285) 3.502 6.108 ( 0.820 0.000 -2.969) 3.080 6.127 ( 2.484 0.000 -0.519) 2.537 6.214 ( 2.580 0.000 -1.814) 3.154 6.302 ( 3.797 0.000 -2.306) 4.442 6.397 ( 3.499 0.000 2.561) 4.336 6.522 ( 7.796 0.000 4.364) 8.935 6.782 ( -3.037 0.000 -3.906) 4.948 6.931 ( -2.526 -0.000 5.145) 5.732 7.033 ( -3.178 -0.000 0.314) 3.194 7.809 ( 2.638 0.000 -2.264) 3.477 7.841 ( 3.832 0.000 2.168) 4.403 7.939 ( -7.280 -0.000 -0.733) 7.317 8.042 ( -1.640 -0.000 0.255) 1.660 8.152 ( -4.075 -0.000 6.668) 7.815 8.345 ( -5.559 -0.000 -1.431) 5.740 8.509 ( 0.188 0.000 -0.356) 0.403 8.736 ( 9.878 0.000 -0.950) 9.924 8.910 ( -4.131 -0.000 -0.292) 4.142 9.167 ( 1.228 0.000 -1.645) 2.053 9.198 ( -0.129 0.000 -1.283) 1.290 9.400 ( -4.599 -0.000 -0.734) 4.657 ======================= Grid point 212 (59/75) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 10.108 -0.814 0.000) 10.141 1.693 ( 8.740 -0.610 0.000) 8.761 1.942 ( 2.271 0.678 0.000) 2.370 2.029 ( -2.209 3.877 -0.000) 4.462 2.285 ( 0.155 -2.270 0.000) 2.275 2.385 ( -5.487 3.101 -0.000) 6.302 2.506 ( -0.847 -4.867 0.000) 4.940 2.550 ( -3.681 -1.468 -0.000) 3.963 2.796 ( -5.028 -6.469 0.000) 8.193 2.839 ( -7.687 -3.094 -0.000) 8.287 2.937 ( 5.127 -0.853 0.000) 5.198 3.041 ( -4.087 4.948 -0.000) 6.418 3.159 ( 10.941 -6.013 0.000) 12.484 3.357 ( -6.043 5.359 -0.000) 8.077 3.534 ( 9.315 -0.904 0.000) 9.359 3.664 ( -1.849 5.761 -0.000) 6.051 3.932 ( 0.427 -2.790 0.000) 2.822 3.985 ( -2.813 1.485 -0.000) 3.181 5.667 ( 3.997 0.495 0.000) 4.028 5.726 ( -0.002 5.037 -0.000) 5.037 5.942 ( 4.955 -0.103 0.000) 4.956 6.018 ( -0.918 4.909 -0.000) 4.994 6.178 ( 5.518 1.964 0.000) 5.857 6.229 ( 2.353 5.920 -0.000) 6.370 6.280 ( 4.498 2.861 0.000) 5.331 6.303 ( 3.558 5.312 -0.000) 6.394 6.716 ( 4.231 -5.691 0.000) 7.091 6.809 ( -3.752 0.294 -0.000) 3.763 6.891 ( -0.186 -3.498 0.000) 3.503 6.953 ( -4.156 1.040 -0.000) 4.284 7.779 ( 3.681 0.784 0.000) 3.764 7.862 ( -3.302 5.505 -0.000) 6.419 7.964 ( -1.990 -8.878 0.000) 9.098 8.033 ( -5.712 -3.142 -0.000) 6.519 8.230 ( -2.431 -8.211 0.000) 8.563 8.301 ( -7.266 -2.345 -0.000) 7.635 8.586 ( 4.456 -3.846 0.000) 5.886 8.717 ( -5.482 4.186 -0.000) 6.897 8.971 ( 9.933 -1.224 0.000) 10.008 9.105 ( -0.922 6.695 -0.000) 6.758 9.240 ( 0.488 -2.474 0.000) 2.522 9.296 ( -3.801 1.766 -0.000) 4.192 ======================= Grid point 213 (60/75) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 13.121 -0.860 1.783) 13.270 1.705 ( 12.449 -0.891 3.739) 13.029 1.957 ( 1.379 0.676 -0.259) 1.557 2.058 ( 0.968 -1.213 2.574) 3.006 2.264 ( -4.585 1.486 -5.706) 7.470 2.378 ( -3.568 0.909 -0.761) 3.760 2.491 ( -2.034 -3.337 3.389) 5.173 2.554 ( -4.817 3.059 0.661) 5.745 2.707 ( -6.501 -6.090 0.251) 8.911 2.787 ( -5.981 -2.113 -1.998) 6.651 2.944 ( 0.669 1.326 0.367) 1.530 3.050 ( 0.810 -1.175 -2.469) 2.852 3.167 ( 7.410 -0.152 6.229) 9.682 3.424 ( -0.796 1.361 2.456) 2.918 3.538 ( 7.120 1.373 0.265) 7.256 3.705 ( -2.280 0.769 0.044) 2.406 3.850 ( -1.073 -1.010 -6.557) 6.720 4.038 ( -1.275 1.269 3.187) 3.660 5.670 ( 3.538 0.196 -0.075) 3.544 5.784 ( -1.019 3.079 0.156) 3.247 5.944 ( 4.883 0.269 0.059) 4.891 6.074 ( -1.223 2.745 0.237) 3.014 6.176 ( 5.153 2.350 -3.823) 6.833 6.244 ( 4.003 2.326 -3.068) 5.554 6.341 ( 4.805 3.225 -1.417) 5.958 6.412 ( 4.211 4.538 3.493) 7.109 6.651 ( 5.012 -4.675 2.593) 7.328 6.760 ( -2.195 -2.060 -3.576) 4.675 6.903 ( -2.149 -0.463 4.658) 5.151 6.976 ( -3.655 1.172 0.991) 3.964 7.786 ( -1.425 1.603 -1.711) 2.744 7.865 ( -4.034 -1.995 -1.722) 4.819 7.906 ( 1.347 -1.188 1.979) 2.673 8.039 ( -4.102 -3.441 3.231) 6.253 8.139 ( -2.343 -4.815 3.574) 6.438 8.265 ( -7.306 -1.472 -1.511) 7.605 8.547 ( 3.684 -1.692 -0.374) 4.072 8.766 ( -3.493 2.432 0.396) 4.275 8.946 ( 8.814 -0.283 -1.865) 9.013 9.168 ( -0.000 1.884 -0.186) 1.893 9.199 ( -0.076 -1.196 -1.968) 2.304 9.317 ( -4.741 2.070 -0.417) 5.190 ======================= Grid point 214 (61/75) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 11.973 0.000 2.661) 12.265 1.757 ( 10.841 0.000 4.102) 11.591 1.950 ( 1.709 0.000 -0.537) 1.791 2.080 ( -0.340 -0.000 -0.013) 0.340 2.177 ( -4.596 0.000 -4.368) 6.340 2.392 ( -2.082 0.000 -2.357) 3.145 2.487 ( -3.288 -0.000 2.367) 4.051 2.612 ( -5.992 -0.000 0.730) 6.036 2.680 ( -5.039 -0.000 2.178) 5.489 2.749 ( -1.224 -0.000 1.091) 1.639 2.967 ( -2.942 -0.000 -0.616) 3.006 3.005 ( -1.337 -0.000 -0.430) 1.405 3.258 ( 8.067 0.000 6.592) 10.418 3.457 ( 4.841 0.000 1.729) 5.140 3.558 ( 3.358 0.000 -0.210) 3.364 3.693 ( -3.331 0.000 -5.203) 6.178 3.760 ( -2.257 -0.000 -1.769) 2.867 4.086 ( -0.215 -0.000 2.327) 2.337 5.671 ( 3.645 0.000 -0.049) 3.645 5.806 ( -0.975 -0.000 -0.092) 0.979 5.944 ( 5.287 0.000 -1.081) 5.396 6.066 ( 1.739 0.000 -4.977) 5.271 6.154 ( 3.009 0.000 -0.835) 3.122 6.240 ( 2.388 0.000 -0.477) 2.435 6.323 ( 4.700 0.000 -2.124) 5.158 6.471 ( 2.505 0.000 1.206) 2.780 6.661 ( 3.674 0.000 0.185) 3.679 6.722 ( -0.140 -0.000 2.362) 2.366 6.964 ( -2.157 -0.000 2.746) 3.492 6.999 ( -2.701 -0.000 1.456) 3.068 7.775 ( -2.707 -0.000 -0.652) 2.784 7.864 ( -5.023 -0.000 3.392) 6.061 7.932 ( 3.563 0.000 1.867) 4.022 7.995 ( -4.486 -0.000 -0.821) 4.560 8.209 ( -2.878 -0.000 7.005) 7.574 8.223 ( -6.989 -0.000 -2.861) 7.552 8.527 ( 2.890 0.000 -0.867) 3.017 8.789 ( -0.987 -0.000 0.613) 1.162 8.915 ( 7.201 0.000 -2.418) 7.597 9.142 ( 0.090 0.000 -3.253) 3.254 9.175 ( -0.681 0.000 -1.691) 1.823 9.335 ( -3.604 -0.000 0.529) 3.643 ======================= Grid point 221 (62/75) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 4.747 4.747 1.586) 6.899 1.795 ( 5.010 5.010 1.021) 7.159 1.999 ( 1.923 1.923 0.948) 2.880 2.036 ( 2.522 2.522 3.043) 4.688 2.253 ( -2.811 -2.811 -6.608) 7.712 2.305 ( -1.850 -1.850 -0.247) 2.628 2.476 ( -2.828 -2.828 2.083) 4.509 2.528 ( -3.132 -3.132 2.093) 4.899 2.699 ( -7.164 -7.164 -0.639) 10.152 2.744 ( -5.946 -5.946 1.360) 8.519 2.957 ( 1.234 1.234 -3.496) 3.908 3.026 ( 0.223 0.223 0.043) 0.318 3.288 ( 2.391 2.391 2.512) 4.213 3.361 ( 2.445 2.445 6.743) 7.578 3.635 ( 1.823 1.823 -0.891) 2.727 3.641 ( 2.217 2.217 -0.267) 3.146 3.854 ( -0.963 -0.963 -7.833) 7.951 4.015 ( 0.135 0.135 4.425) 4.429 5.714 ( 2.287 2.287 -0.692) 3.307 5.735 ( 1.625 1.625 0.953) 2.488 6.007 ( 2.470 2.470 -0.215) 3.499 6.015 ( 1.759 1.759 0.797) 2.612 6.196 ( 4.229 4.229 -5.336) 8.015 6.256 ( 4.398 4.398 -2.663) 6.766 6.348 ( 4.402 4.402 -0.256) 6.231 6.406 ( 5.037 5.037 4.001) 8.170 6.734 ( -1.565 -1.565 -0.580) 2.289 6.764 ( -1.550 -1.550 -0.110) 2.195 6.886 ( -1.872 -1.872 0.413) 2.680 6.934 ( -0.973 -0.973 3.761) 4.005 7.775 ( -0.517 -0.517 -4.394) 4.454 7.819 ( -0.338 -0.338 -0.264) 0.546 7.966 ( -5.227 -5.227 4.065) 8.436 8.007 ( -1.645 -1.645 4.873) 5.399 8.189 ( -5.352 -5.352 -1.032) 7.639 8.199 ( -4.453 -4.453 0.420) 6.312 8.622 ( 0.055 0.055 -2.113) 2.115 8.683 ( 1.028 1.028 2.390) 2.797 9.037 ( 3.424 3.424 -4.147) 6.375 9.136 ( 2.599 2.599 2.278) 4.324 9.224 ( -1.559 -1.559 -2.375) 3.241 9.247 ( -0.972 -0.972 -0.176) 1.386 ======================= Grid point 223 (63/75) ======================= q-point: (-0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( 7.106 1.641 -2.294) 7.646 1.860 ( 5.016 2.075 0.071) 5.428 2.021 ( 6.600 -1.306 1.916) 6.996 2.082 ( -2.110 -1.996 -7.095) 7.666 2.136 ( -0.016 1.132 2.872) 3.087 2.308 ( -5.512 2.601 -0.557) 6.121 2.463 ( -5.140 -5.071 -0.818) 7.267 2.521 ( -4.799 0.370 3.863) 6.172 2.655 ( -2.731 -3.540 4.381) 6.260 2.719 ( -4.928 -1.948 3.635) 6.426 2.932 ( -0.214 1.023 -1.765) 2.051 2.996 ( -2.015 -1.697 -2.236) 3.456 3.357 ( 6.289 1.192 3.506) 7.298 3.496 ( 2.493 2.129 6.137) 6.957 3.588 ( 0.070 -1.727 -5.790) 6.042 3.668 ( -1.219 0.734 0.481) 1.502 3.745 ( 0.924 0.312 -5.399) 5.486 4.080 ( 0.735 1.211 3.189) 3.490 5.722 ( 3.915 0.374 0.073) 3.933 5.779 ( -0.492 2.193 0.632) 2.334 6.009 ( 5.179 0.916 -1.259) 5.408 6.060 ( 0.772 2.993 -1.845) 3.600 6.189 ( 3.978 2.489 -2.197) 5.181 6.264 ( 3.590 2.422 -2.433) 4.968 6.372 ( 3.634 1.727 -2.909) 4.965 6.486 ( 2.486 2.301 0.043) 3.388 6.708 ( 0.484 -2.840 -1.535) 3.265 6.738 ( 0.736 -0.412 2.909) 3.029 6.915 ( -2.141 1.702 2.894) 3.982 6.975 ( -1.245 -0.428 2.674) 2.981 7.724 ( -3.894 -1.030 0.162) 4.031 7.829 ( -0.943 0.072 1.899) 2.121 7.941 ( -4.074 -3.740 1.518) 5.735 8.014 ( 0.177 -4.063 0.192) 4.071 8.132 ( -6.772 -1.158 -0.431) 6.884 8.181 ( -3.484 -2.268 4.440) 6.082 8.581 ( 2.836 -0.980 -1.827) 3.513 8.749 ( -0.586 2.578 2.102) 3.378 9.012 ( 5.862 1.010 -3.167) 6.739 9.143 ( -0.861 -0.791 -2.819) 3.052 9.163 ( -1.292 -0.970 -2.639) 3.095 9.283 ( -0.879 2.347 2.373) 3.451 ======================= Grid point 224 (64/75) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 1.246 0.000 -9.236) 9.320 1.792 ( -0.481 0.000 -10.430) 10.441 1.984 ( 0.480 0.000 -0.571) 0.746 2.079 ( 7.846 0.000 4.735) 9.164 2.202 ( 0.966 -0.000 4.610) 4.710 2.310 ( -3.678 -0.000 -1.742) 4.070 2.430 ( -6.523 -0.000 0.626) 6.553 2.563 ( -4.259 -0.000 2.034) 4.719 2.687 ( 1.814 -0.000 3.133) 3.620 2.788 ( -3.032 -0.000 5.998) 6.721 2.927 ( -0.643 -0.000 0.177) 0.667 2.970 ( -3.604 -0.000 1.902) 4.075 3.373 ( 3.298 0.000 -2.716) 4.272 3.409 ( -5.720 0.000 -16.378) 17.348 3.587 ( 5.646 0.000 5.092) 7.603 3.688 ( 5.393 0.000 1.232) 5.532 3.758 ( -3.493 -0.000 6.038) 6.975 4.120 ( 1.380 0.000 1.203) 1.830 5.729 ( 4.397 0.000 0.408) 4.415 5.802 ( -0.160 -0.000 0.668) 0.687 5.981 ( 5.708 0.000 -4.809) 7.464 6.030 ( 2.429 0.000 -4.540) 5.150 6.197 ( 3.207 0.000 0.856) 3.319 6.255 ( 2.842 0.000 -2.236) 3.616 6.350 ( 0.628 0.000 -0.360) 0.724 6.486 ( 0.359 0.000 -1.577) 1.617 6.656 ( 2.717 0.000 -3.095) 4.119 6.795 ( -1.613 -0.000 3.846) 4.171 6.939 ( 0.717 0.000 -0.640) 0.961 7.012 ( -1.832 -0.000 2.997) 3.512 7.763 ( -3.650 -0.000 5.363) 6.487 7.867 ( -1.302 -0.000 2.957) 3.231 7.902 ( -5.649 -0.000 -1.580) 5.866 7.992 ( 1.177 -0.000 1.106) 1.615 8.097 ( -5.749 -0.000 -2.128) 6.130 8.239 ( -4.370 -0.000 4.290) 6.124 8.552 ( 2.915 0.000 -1.373) 3.222 8.793 ( -0.059 -0.000 1.772) 1.773 8.984 ( 6.827 0.000 -2.042) 7.126 9.094 ( -0.716 0.000 -2.658) 2.752 9.123 ( -2.361 0.000 -2.335) 3.321 9.336 ( 0.047 -0.000 2.626) 2.627 ======================= Grid point 232 (65/75) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.755 ( 0.650 0.650 -12.411) 12.445 1.799 ( -2.092 -2.092 -13.939) 14.249 1.993 ( 0.834 0.834 1.114) 1.623 2.142 ( 2.381 2.381 2.450) 4.164 2.238 ( 3.319 3.319 4.794) 6.709 2.253 ( -2.229 -2.229 1.951) 3.707 2.377 ( -4.207 -4.207 -0.053) 5.950 2.531 ( -2.266 -2.266 4.488) 5.514 2.713 ( 0.812 0.812 3.206) 3.406 2.749 ( -1.458 -1.458 6.427) 6.750 2.925 ( -0.456 -0.456 2.441) 2.524 2.949 ( -1.840 -1.840 0.140) 2.606 3.364 ( -3.538 -3.538 -17.793) 18.484 3.401 ( 2.077 2.077 -4.910) 5.721 3.637 ( 3.194 3.194 4.641) 6.477 3.707 ( -0.521 -0.521 6.765) 6.805 3.739 ( 0.172 0.172 1.980) 1.995 4.130 ( 1.400 1.400 1.421) 2.437 5.770 ( 2.135 2.135 0.496) 3.060 5.792 ( 0.584 0.584 1.284) 1.526 6.023 ( 3.503 3.503 -5.139) 7.138 6.047 ( 1.940 1.940 -3.781) 4.672 6.223 ( 2.267 2.267 -0.628) 3.266 6.283 ( 1.986 1.986 0.104) 2.811 6.344 ( -0.291 -0.291 -3.413) 3.438 6.486 ( 0.187 0.187 -2.050) 2.067 6.707 ( 1.032 1.032 -6.156) 6.326 6.752 ( -0.090 -0.090 4.378) 4.380 6.964 ( 0.228 0.228 4.439) 4.451 6.980 ( -0.441 -0.441 0.827) 1.035 7.733 ( -2.296 -2.296 6.229) 7.025 7.861 ( 0.568 0.568 2.364) 2.497 7.865 ( -4.052 -4.052 -1.071) 5.830 8.009 ( -0.820 -0.820 -1.815) 2.154 8.055 ( -3.982 -3.982 0.102) 5.632 8.201 ( -2.369 -2.369 4.136) 5.322 8.578 ( 0.918 0.918 -1.820) 2.235 8.792 ( 1.588 1.588 2.036) 3.031 9.034 ( 2.674 2.674 -1.613) 4.111 9.091 ( -1.016 -1.016 -2.414) 2.809 9.101 ( -1.518 -1.518 -2.375) 3.201 9.333 ( 1.421 1.421 3.099) 3.694 ======================= Grid point 233 (66/75) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.627 0.000 -17.789) 17.982 1.555 ( -3.202 0.000 -17.346) 17.639 2.025 ( 0.907 -0.000 2.195) 2.375 2.169 ( -0.750 -0.000 0.271) 0.797 2.269 ( 1.037 -0.000 1.796) 2.073 2.314 ( 2.518 -0.000 2.732) 3.715 2.367 ( -3.940 -0.000 1.267) 4.138 2.587 ( 1.716 -0.000 5.154) 5.432 2.746 ( 1.776 0.000 0.263) 1.795 2.788 ( -3.145 -0.000 1.017) 3.305 2.987 ( 0.561 -0.000 7.452) 7.473 2.995 ( -0.833 -0.000 6.685) 6.737 3.057 ( -5.969 0.000 -21.292) 22.113 3.318 ( 0.070 0.000 -7.878) 7.878 3.683 ( 3.335 0.000 0.143) 3.338 3.797 ( 1.720 -0.000 6.829) 7.042 3.818 ( -1.602 -0.000 7.167) 7.344 4.142 ( 1.396 0.000 -1.263) 1.882 5.794 ( 3.398 0.000 1.038) 3.553 5.817 ( 0.190 -0.000 1.279) 1.293 5.976 ( 4.372 0.000 -5.553) 7.068 5.997 ( 1.482 0.000 -4.566) 4.801 6.189 ( -0.736 0.000 -5.765) 5.812 6.298 ( 4.546 0.000 1.108) 4.679 6.344 ( -1.522 -0.000 1.665) 2.256 6.451 ( -0.837 0.000 -2.826) 2.948 6.585 ( -0.550 0.000 -11.013) 11.027 6.832 ( 0.513 -0.000 6.148) 6.169 6.993 ( 2.778 -0.000 2.654) 3.842 7.026 ( -1.617 -0.000 2.815) 3.246 7.713 ( -4.662 0.000 -4.940) 6.793 7.893 ( 1.260 -0.000 1.519) 1.974 7.904 ( 0.785 -0.000 3.669) 3.752 7.970 ( -2.105 0.000 -3.742) 4.294 8.029 ( -6.292 -0.000 6.539) 9.074 8.232 ( -2.456 -0.000 2.626) 3.596 8.563 ( 1.185 0.000 -1.243) 1.717 8.826 ( 0.986 -0.000 1.376) 1.692 9.041 ( 3.802 0.000 -0.340) 3.817 9.065 ( -0.319 -0.000 -0.105) 0.336 9.074 ( -1.681 -0.000 -0.134) 1.686 9.385 ( 1.177 -0.000 2.727) 2.970 ======================= Grid point 242 (67/75) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.000 0.000 -20.870) 20.870 1.265 ( 0.000 0.000 -20.870) 20.870 2.057 ( -0.000 -0.000 1.856) 1.856 2.105 ( 0.000 0.000 -11.212) 11.212 2.258 ( 0.000 0.000 -2.409) 2.409 2.368 ( -0.000 -0.000 2.116) 2.116 2.368 ( -0.000 -0.000 2.116) 2.116 2.706 ( 0.000 0.000 -18.128) 18.128 2.731 ( -0.000 -0.000 10.060) 10.060 2.759 ( 0.000 0.000 -0.271) 0.271 2.759 ( 0.000 0.000 -0.271) 0.271 3.116 ( -0.000 -0.000 9.558) 9.558 3.116 ( -0.000 -0.000 9.558) 9.558 3.193 ( 0.000 0.000 -9.111) 9.111 3.706 ( -0.000 -0.000 0.594) 0.594 3.892 ( -0.000 -0.000 4.893) 4.893 3.892 ( -0.000 -0.000 4.893) 4.893 4.114 ( 0.000 0.000 -4.237) 4.237 5.831 ( -0.000 -0.000 0.026) 0.026 5.831 ( -0.000 -0.000 0.026) 0.026 5.954 ( 0.000 0.000 -2.246) 2.246 5.954 ( 0.000 0.000 -2.246) 2.246 6.081 ( 0.000 0.000 -7.268) 7.268 6.354 ( -0.000 -0.000 0.706) 0.706 6.354 ( -0.000 -0.000 0.706) 0.706 6.393 ( 0.000 0.000 -4.155) 4.155 6.405 ( 0.000 0.000 -12.841) 12.841 6.945 ( -0.000 -0.000 8.530) 8.530 7.049 ( -0.000 -0.000 2.252) 2.252 7.049 ( -0.000 -0.000 2.252) 2.252 7.593 ( 0.000 0.000 -6.691) 6.691 7.861 ( 0.000 0.000 -7.463) 7.463 7.861 ( 0.000 0.000 -7.463) 7.463 7.942 ( -0.000 -0.000 2.820) 2.820 8.170 ( -0.000 -0.000 16.729) 16.729 8.250 ( -0.000 -0.000 2.132) 2.132 8.554 ( 0.000 0.000 -1.143) 1.143 8.847 ( -0.000 -0.000 0.979) 0.979 9.074 ( -0.000 -0.000 0.431) 0.431 9.077 ( -0.000 -0.000 2.057) 2.057 9.077 ( -0.000 -0.000 2.057) 2.057 9.428 ( -0.000 -0.000 2.237) 2.237 ======================= Grid point 291 (68/75) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 15.248 0.000 0.000) 15.248 1.672 ( 14.897 0.000 0.000) 14.897 1.968 ( 1.651 0.000 0.000) 1.651 2.026 ( 1.192 0.000 0.000) 1.192 2.368 ( -4.995 -0.000 -0.000) 4.995 2.377 ( -3.260 -0.000 -0.000) 3.260 2.397 ( -1.881 -0.000 -0.000) 1.881 2.601 ( -9.050 -0.000 -0.000) 9.050 2.636 ( -4.274 -0.000 -0.000) 4.274 2.787 ( -10.198 -0.000 -0.000) 10.198 2.954 ( 1.193 0.000 0.000) 1.193 3.059 ( 15.805 0.000 0.000) 15.805 3.125 ( -4.335 -0.000 -0.000) 4.335 3.416 ( -0.514 -0.000 -0.000) 0.514 3.548 ( 7.213 0.000 0.000) 7.213 3.705 ( -2.098 -0.000 -0.000) 2.098 3.893 ( 0.035 0.000 0.000) 0.035 4.022 ( -2.105 -0.000 -0.000) 2.105 5.672 ( 3.300 0.000 0.000) 3.300 5.805 ( -1.579 -0.000 -0.000) 1.579 5.943 ( 4.251 0.000 0.000) 4.251 6.084 ( -1.854 -0.000 -0.000) 1.854 6.217 ( 6.243 0.000 0.000) 6.243 6.325 ( 5.435 0.000 0.000) 5.435 6.344 ( 4.897 0.000 0.000) 4.897 6.454 ( 5.606 0.000 0.000) 5.606 6.570 ( 4.508 0.000 0.000) 4.508 6.789 ( -2.613 -0.000 -0.000) 2.613 6.841 ( -2.383 -0.000 -0.000) 2.383 6.980 ( -4.233 -0.000 -0.000) 4.233 7.776 ( -3.911 -0.000 -0.000) 3.911 7.900 ( -0.848 -0.000 -0.000) 0.848 7.907 ( 2.569 0.000 0.000) 2.569 8.013 ( -6.476 -0.000 -0.000) 6.476 8.033 ( -1.338 -0.000 -0.000) 1.338 8.265 ( -7.537 -0.000 -0.000) 7.537 8.539 ( 3.829 0.000 0.000) 3.829 8.780 ( -3.270 -0.000 -0.000) 3.270 8.956 ( 9.243 0.000 0.000) 9.243 9.182 ( -0.161 -0.000 -0.000) 0.161 9.205 ( -0.580 -0.000 -0.000) 0.580 9.334 ( -5.410 -0.000 -0.000) 5.410 ======================= Grid point 300 (69/75) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 10.232 1.423 0.000) 10.330 1.838 ( 10.763 3.868 0.000) 11.437 2.007 ( 5.408 1.060 0.000) 5.511 2.053 ( 1.223 0.234 0.000) 1.246 2.263 ( -1.801 1.165 -0.000) 2.145 2.336 ( -5.721 1.594 -0.000) 5.939 2.415 ( -2.337 -4.836 0.000) 5.371 2.459 ( -7.078 -0.850 -0.000) 7.129 2.607 ( -8.488 -7.492 -0.000) 11.322 2.649 ( -11.972 -4.048 -0.000) 12.638 2.996 ( 4.216 -0.231 0.000) 4.222 3.062 ( -1.705 3.208 -0.000) 3.633 3.253 ( 10.158 -1.856 0.000) 10.326 3.376 ( -1.412 4.494 -0.000) 4.710 3.634 ( 4.832 -0.004 0.000) 4.832 3.680 ( -1.803 0.321 -0.000) 1.831 3.916 ( 2.194 -1.546 0.000) 2.684 3.978 ( -2.015 2.361 -0.000) 3.104 5.720 ( 3.508 -0.225 0.000) 3.516 5.769 ( -0.917 2.466 -0.000) 2.631 5.999 ( 3.637 -0.393 0.000) 3.658 6.049 ( -1.189 2.059 -0.000) 2.378 6.297 ( 7.464 1.969 0.000) 7.719 6.354 ( 3.763 5.713 -0.000) 6.841 6.403 ( 7.050 2.615 0.000) 7.519 6.456 ( 4.872 7.834 -0.000) 9.225 6.675 ( 1.863 -6.383 0.000) 6.649 6.756 ( -3.789 -0.263 -0.000) 3.798 6.839 ( -0.487 -3.361 0.000) 3.396 6.907 ( -4.935 1.110 -0.000) 5.058 7.777 ( -0.068 -4.068 0.000) 4.069 7.871 ( -5.165 2.682 -0.000) 5.820 7.893 ( 0.541 0.115 0.000) 0.553 7.929 ( -3.227 -1.094 -0.000) 3.407 8.089 ( -2.094 -7.701 0.000) 7.981 8.170 ( -7.973 -1.520 -0.000) 8.117 8.615 ( 5.336 -1.639 0.000) 5.583 8.710 ( -3.108 3.389 -0.000) 4.598 9.083 ( 7.869 -0.454 0.000) 7.882 9.161 ( -0.440 2.767 -0.000) 2.802 9.205 ( -0.817 -2.200 0.000) 2.347 9.255 ( -4.624 1.038 -0.000) 4.739 ======================= Grid point 301 (70/75) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 10.999 0.000 0.551) 11.013 1.880 ( 12.744 0.000 0.885) 12.774 2.007 ( 5.269 0.000 -0.836) 5.335 2.064 ( 1.509 -0.000 3.031) 3.385 2.209 ( -4.454 0.000 -8.911) 9.962 2.354 ( -3.328 -0.000 1.588) 3.688 2.404 ( -5.703 -0.000 0.602) 5.735 2.496 ( -7.382 -0.000 3.142) 8.023 2.540 ( -8.282 -0.000 2.850) 8.759 2.653 ( -10.034 -0.000 3.593) 10.658 2.975 ( 2.588 0.000 -2.508) 3.604 3.042 ( -0.996 0.000 -4.840) 4.942 3.292 ( 9.562 0.000 5.938) 11.256 3.440 ( 0.860 -0.000 4.364) 4.448 3.629 ( 3.255 0.000 -1.420) 3.551 3.667 ( -2.729 -0.000 -0.866) 2.863 3.842 ( 1.149 0.000 -7.232) 7.323 4.038 ( -0.122 -0.000 4.216) 4.218 5.720 ( 3.491 0.000 0.237) 3.499 5.789 ( -1.047 -0.000 0.360) 1.107 6.005 ( 3.836 0.000 1.073) 3.983 6.074 ( -1.102 -0.000 1.386) 1.770 6.283 ( 6.862 0.000 -4.704) 8.320 6.329 ( 5.695 0.000 -4.989) 7.571 6.438 ( 4.758 0.000 -2.512) 5.380 6.506 ( 4.189 0.000 -0.908) 4.286 6.662 ( 2.188 -0.000 5.705) 6.110 6.716 ( -1.587 0.000 -2.978) 3.374 6.872 ( -1.929 -0.000 5.713) 6.030 6.931 ( -4.157 -0.000 2.031) 4.626 7.741 ( -3.393 -0.000 -1.434) 3.683 7.815 ( -1.553 0.000 -2.693) 3.109 7.940 ( -4.499 -0.000 0.034) 4.499 7.950 ( 1.592 -0.000 1.481) 2.175 8.069 ( -3.088 -0.000 6.839) 7.504 8.151 ( -7.679 -0.000 -1.166) 7.767 8.595 ( 4.733 0.000 -1.260) 4.898 8.745 ( -1.896 -0.000 1.427) 2.373 9.058 ( 7.123 0.000 -2.731) 7.629 9.169 ( -0.860 0.000 -1.603) 1.819 9.182 ( -1.188 0.000 -1.082) 1.607 9.272 ( -3.535 -0.000 1.363) 3.788 ======================= Grid point 309 (71/75) ======================= q-point: ( 0.56 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 5.224 5.224 -0.773) 7.429 1.962 ( 7.148 7.148 -1.369) 10.201 2.063 ( 2.685 2.685 0.527) 3.833 2.120 ( 3.476 3.476 2.419) 5.478 2.182 ( -1.926 -1.926 -8.590) 9.011 2.243 ( -2.557 -2.557 -1.230) 3.820 2.394 ( -3.174 -3.174 4.529) 6.376 2.411 ( -6.173 -6.173 -1.883) 8.930 2.514 ( -5.055 -5.055 7.553) 10.400 2.563 ( -6.763 -6.763 5.996) 11.288 3.002 ( 1.647 1.647 -4.710) 5.254 3.027 ( -0.029 -0.029 -3.451) 3.451 3.385 ( 4.097 4.097 3.783) 6.920 3.426 ( 2.158 2.158 6.803) 7.456 3.641 ( -1.001 -1.001 -2.989) 3.307 3.648 ( -1.505 -1.505 -1.305) 2.496 3.860 ( 0.998 0.998 -7.557) 7.687 4.036 ( 1.152 1.152 5.195) 5.445 5.760 ( 1.080 1.080 0.219) 1.542 5.765 ( 0.692 0.692 0.666) 1.183 6.048 ( 0.822 0.822 1.532) 1.923 6.049 ( 0.776 0.776 1.569) 1.914 6.334 ( 5.251 5.251 -6.608) 9.940 6.376 ( 4.128 4.128 -4.273) 7.235 6.460 ( 2.800 2.800 -3.779) 5.474 6.526 ( 3.237 3.237 0.250) 4.584 6.680 ( -2.316 -2.316 0.338) 3.293 6.733 ( 0.056 0.056 2.710) 2.711 6.846 ( -0.878 -0.878 2.862) 3.120 6.895 ( -2.116 -2.116 5.091) 5.905 7.718 ( -3.191 -3.191 -5.789) 7.340 7.815 ( 0.447 0.447 1.019) 1.199 7.884 ( -0.757 -0.757 0.264) 1.102 7.979 ( -0.505 -0.505 5.340) 5.387 8.057 ( -4.083 -4.083 -0.430) 5.790 8.080 ( -4.176 -4.176 2.258) 6.322 8.642 ( 1.180 1.180 -2.772) 3.236 8.722 ( 1.619 1.619 2.974) 3.753 9.112 ( 1.985 1.985 -3.719) 4.660 9.162 ( -0.620 -0.620 -1.505) 1.742 9.176 ( -1.774 -1.774 -2.226) 3.354 9.239 ( 0.598 0.598 3.613) 3.711 ======================= Grid point 311 (72/75) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 5.116 0.000 -7.789) 9.319 1.937 ( 3.654 0.000 -7.937) 8.738 2.017 ( -1.977 0.000 -6.506) 6.799 2.137 ( 7.164 0.000 1.902) 7.412 2.155 ( 2.241 -0.000 5.193) 5.655 2.274 ( -4.322 -0.000 -1.269) 4.504 2.320 ( -6.555 -0.000 1.967) 6.844 2.441 ( -5.736 -0.000 4.932) 7.565 2.604 ( -0.870 -0.000 9.764) 9.802 2.635 ( -4.847 -0.000 8.754) 10.006 2.952 ( 1.005 0.000 -3.839) 3.968 2.965 ( -0.681 0.000 -4.424) 4.476 3.462 ( 6.760 0.000 0.832) 6.811 3.534 ( -0.982 0.000 -5.889) 5.970 3.557 ( 0.800 -0.000 3.326) 3.421 3.628 ( -4.666 -0.000 2.792) 5.438 3.775 ( 1.879 0.000 -5.429) 5.745 4.107 ( 1.363 -0.000 3.614) 3.863 5.768 ( 2.410 0.000 0.768) 2.529 5.787 ( -0.373 -0.000 0.824) 0.905 6.067 ( 2.727 0.000 0.903) 2.873 6.085 ( 0.133 -0.000 0.728) 0.740 6.289 ( 6.025 0.000 -5.706) 8.298 6.329 ( 3.283 0.000 -4.715) 5.746 6.404 ( -0.801 0.000 -5.611) 5.668 6.520 ( 0.750 0.000 -2.621) 2.726 6.691 ( -0.489 -0.000 3.106) 3.144 6.766 ( 3.752 0.000 0.744) 3.825 6.912 ( -0.995 -0.000 4.029) 4.150 6.935 ( -2.852 -0.000 4.042) 4.947 7.654 ( -3.792 -0.000 1.005) 3.923 7.837 ( 1.704 0.000 1.532) 2.292 7.870 ( -3.192 -0.000 -2.110) 3.826 7.993 ( 1.236 -0.000 1.204) 1.726 8.045 ( -5.217 -0.000 -0.654) 5.258 8.111 ( -3.581 -0.000 6.199) 7.159 8.613 ( 1.947 0.000 -2.399) 3.090 8.776 ( 1.404 -0.000 2.544) 2.906 9.080 ( 2.699 0.000 -2.800) 3.889 9.119 ( -1.076 0.000 -2.980) 3.168 9.128 ( -2.150 0.000 -2.904) 3.613 9.298 ( 0.637 -0.000 3.617) 3.673 ======================= Grid point 320 (73/75) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 0.000 0.000 -15.986) 15.986 1.767 ( 0.000 0.000 -15.986) 15.986 2.009 ( -0.000 -0.000 1.252) 1.252 2.167 ( 0.000 0.000 -0.619) 0.619 2.244 ( -0.000 -0.000 3.932) 3.932 2.299 ( -0.000 -0.000 2.800) 2.800 2.299 ( -0.000 -0.000 2.800) 2.800 2.487 ( -0.000 -0.000 7.865) 7.865 2.723 ( -0.000 -0.000 6.712) 6.712 2.723 ( -0.000 -0.000 6.712) 6.712 2.925 ( -0.000 -0.000 0.471) 0.471 2.925 ( -0.000 -0.000 0.471) 0.471 3.311 ( 0.000 0.000 -19.415) 19.415 3.437 ( 0.000 0.000 -8.193) 8.193 3.692 ( -0.000 -0.000 9.095) 9.095 3.692 ( -0.000 -0.000 9.095) 9.095 3.731 ( 0.000 0.000 -2.810) 2.810 4.152 ( -0.000 -0.000 1.389) 1.389 5.800 ( -0.000 -0.000 1.252) 1.252 5.800 ( -0.000 -0.000 1.252) 1.252 6.074 ( 0.000 0.000 -3.516) 3.516 6.074 ( 0.000 0.000 -3.516) 3.516 6.281 ( 0.000 0.000 -7.154) 7.154 6.313 ( 0.000 0.000 -0.075) 0.075 6.313 ( 0.000 0.000 -0.075) 0.075 6.482 ( 0.000 0.000 -2.843) 2.843 6.733 ( 0.000 0.000 -9.158) 9.158 6.753 ( -0.000 -0.000 5.596) 5.596 6.965 ( -0.000 -0.000 3.948) 3.948 6.965 ( -0.000 -0.000 3.948) 3.948 7.697 ( -0.000 -0.000 5.771) 5.771 7.811 ( -0.000 -0.000 0.748) 0.748 7.877 ( -0.000 -0.000 1.743) 1.743 7.997 ( 0.000 0.000 -1.800) 1.800 7.997 ( 0.000 0.000 -1.800) 1.800 8.161 ( -0.000 -0.000 4.910) 4.910 8.595 ( 0.000 0.000 -2.029) 2.029 8.818 ( -0.000 -0.000 1.640) 1.640 9.072 ( 0.000 0.000 -0.999) 0.999 9.075 ( 0.000 0.000 -2.071) 2.071 9.075 ( 0.000 0.000 -2.071) 2.071 9.353 ( -0.000 -0.000 3.308) 3.308 ======================= Grid point 387 (74/75) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 9.206 0.000 0.000) 9.206 2.048 ( 0.603 0.000 0.000) 0.603 2.060 ( 13.451 0.000 0.000) 13.451 2.115 ( 8.680 0.000 0.000) 8.680 2.263 ( -2.237 -0.000 -0.000) 2.237 2.279 ( -5.086 -0.000 -0.000) 5.086 2.333 ( -4.174 -0.000 -0.000) 4.174 2.359 ( -3.956 -0.000 -0.000) 3.956 2.399 ( -11.194 -0.000 -0.000) 11.194 2.443 ( -12.517 -0.000 -0.000) 12.517 3.043 ( 2.795 0.000 0.000) 2.795 3.068 ( -0.762 -0.000 -0.000) 0.762 3.362 ( 6.822 0.000 0.000) 6.822 3.410 ( 0.320 0.000 0.000) 0.320 3.649 ( -1.539 -0.000 -0.000) 1.539 3.653 ( -1.144 -0.000 -0.000) 1.144 3.949 ( 3.272 0.000 0.000) 3.272 3.979 ( -0.825 -0.000 -0.000) 0.825 5.756 ( 2.018 0.000 0.000) 2.018 5.774 ( -0.626 -0.000 -0.000) 0.626 6.033 ( 1.840 0.000 0.000) 1.840 6.049 ( -0.649 -0.000 -0.000) 0.649 6.417 ( 7.652 0.000 0.000) 7.652 6.465 ( 4.111 0.000 0.000) 4.111 6.496 ( 4.779 0.000 0.000) 4.779 6.580 ( -3.205 -0.000 -0.000) 3.205 6.634 ( 6.274 0.000 0.000) 6.274 6.712 ( -3.011 -0.000 -0.000) 3.011 6.800 ( -0.513 -0.000 -0.000) 0.513 6.845 ( -5.241 -0.000 -0.000) 5.241 7.752 ( 1.326 0.000 0.000) 1.326 7.803 ( -5.449 -0.000 -0.000) 5.449 7.896 ( 1.414 0.000 0.000) 1.414 7.931 ( -1.166 -0.000 -0.000) 1.166 7.995 ( -1.084 -0.000 -0.000) 1.084 8.054 ( -7.242 -0.000 -0.000) 7.242 8.674 ( 4.244 0.000 0.000) 4.244 8.711 ( -0.932 -0.000 -0.000) 0.932 9.165 ( 4.370 0.000 0.000) 4.370 9.166 ( -0.730 -0.000 -0.000) 0.730 9.171 ( -1.377 -0.000 -0.000) 1.377 9.213 ( -2.670 -0.000 -0.000) 2.670 ======================= Grid point 397 (75/75) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.55e-05 8.55e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 0.000 0.000 -1.917) 1.917 2.112 ( -0.000 -0.000 4.937) 4.937 2.133 ( 0.000 0.000 -11.322) 11.322 2.133 ( 0.000 0.000 -11.322) 11.322 2.207 ( 0.000 0.000 -2.488) 2.488 2.233 ( -0.000 -0.000 1.639) 1.639 2.233 ( -0.000 -0.000 1.639) 1.639 2.310 ( -0.000 -0.000 5.168) 5.168 2.452 ( -0.000 -0.000 10.672) 10.672 2.452 ( -0.000 -0.000 10.672) 10.672 3.027 ( 0.000 0.000 -4.576) 4.576 3.027 ( 0.000 0.000 -4.576) 4.576 3.460 ( -0.000 -0.000 6.430) 6.430 3.460 ( -0.000 -0.000 6.430) 6.430 3.606 ( 0.000 0.000 -3.872) 3.872 3.619 ( 0.000 0.000 -3.804) 3.804 3.878 ( 0.000 0.000 -7.313) 7.313 4.055 ( -0.000 -0.000 5.369) 5.369 5.774 ( -0.000 -0.000 0.612) 0.612 5.774 ( -0.000 -0.000 0.612) 0.612 6.059 ( -0.000 -0.000 1.899) 1.899 6.059 ( -0.000 -0.000 1.899) 1.899 6.445 ( 0.000 0.000 -6.444) 6.444 6.445 ( 0.000 0.000 -6.444) 6.444 6.458 ( 0.000 0.000 -5.850) 5.850 6.568 ( 0.000 0.000 -1.393) 1.393 6.637 ( -0.000 -0.000 0.925) 0.925 6.771 ( -0.000 -0.000 5.414) 5.414 6.837 ( -0.000 -0.000 4.792) 4.792 6.837 ( -0.000 -0.000 4.792) 4.792 7.665 ( 0.000 0.000 -6.289) 6.289 7.830 ( -0.000 -0.000 2.925) 2.925 7.885 ( 0.000 0.000 -2.564) 2.564 7.991 ( -0.000 -0.000 6.529) 6.529 7.993 ( -0.000 -0.000 0.811) 0.811 7.993 ( -0.000 -0.000 0.811) 0.811 8.663 ( 0.000 0.000 -2.943) 2.943 8.749 ( -0.000 -0.000 3.181) 3.181 9.141 ( 0.000 0.000 -3.750) 3.750 9.146 ( 0.000 0.000 -1.983) 1.983 9.146 ( 0.000 0.000 -1.983) 1.983 9.251 ( -0.000 -0.000 4.095) 4.095 =================== 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 3/30618 10.0 1016.948 1016.948 1018.027 -0.000 0.000 0.000 3/30618 20.0 127.840 127.840 141.306 -0.000 0.000 0.000 3/30618 30.0 50.669 50.669 57.565 -0.000 0.000 0.000 3/30618 40.0 29.292 29.292 33.708 -0.000 0.000 0.000 3/30618 50.0 19.685 19.685 22.898 -0.000 0.000 0.000 3/30618 60.0 14.344 14.344 16.840 -0.000 0.000 0.000 3/30618 70.0 11.054 11.054 13.072 -0.000 0.000 0.000 3/30618 80.0 8.887 8.887 10.568 -0.000 0.000 0.000 3/30618 90.0 7.385 7.385 8.818 -0.000 0.000 0.000 3/30618 100.0 6.298 6.298 7.543 -0.000 0.000 0.000 3/30618 110.0 5.484 5.484 6.582 -0.000 0.000 0.000 3/30618 120.0 4.854 4.854 5.836 -0.000 0.000 0.000 3/30618 130.0 4.354 4.354 5.242 -0.000 0.000 0.000 3/30618 140.0 3.949 3.949 4.759 -0.000 0.000 0.000 3/30618 150.0 3.614 3.614 4.359 -0.000 0.000 0.000 3/30618 160.0 3.333 3.333 4.023 -0.000 0.000 0.000 3/30618 170.0 3.094 3.094 3.736 -0.000 0.000 0.000 3/30618 180.0 2.888 2.888 3.488 -0.000 0.000 0.000 3/30618 190.0 2.708 2.708 3.272 -0.000 0.000 0.000 3/30618 200.0 2.550 2.550 3.082 -0.000 0.000 0.000 3/30618 210.0 2.411 2.411 2.914 -0.000 0.000 0.000 3/30618 220.0 2.286 2.286 2.764 -0.000 0.000 0.000 3/30618 230.0 2.174 2.174 2.628 -0.000 0.000 0.000 3/30618 240.0 2.073 2.073 2.506 -0.000 0.000 0.000 3/30618 250.0 1.981 1.981 2.395 -0.000 0.000 0.000 3/30618 260.0 1.897 1.897 2.294 -0.000 0.000 0.000 3/30618 270.0 1.820 1.820 2.201 -0.000 0.000 0.000 3/30618 280.0 1.749 1.749 2.116 -0.000 0.000 0.000 3/30618 290.0 1.684 1.684 2.037 -0.000 0.000 0.000 3/30618 300.0 1.624 1.624 1.964 -0.000 0.000 0.000 3/30618 310.0 1.568 1.568 1.896 -0.000 0.000 0.000 3/30618 320.0 1.515 1.515 1.833 -0.000 0.000 0.000 3/30618 330.0 1.466 1.466 1.774 -0.000 0.000 0.000 3/30618 340.0 1.421 1.421 1.719 -0.000 0.000 0.000 3/30618 350.0 1.378 1.378 1.667 -0.000 0.000 0.000 3/30618 360.0 1.338 1.338 1.618 -0.000 0.000 0.000 3/30618 370.0 1.300 1.300 1.572 -0.000 0.000 0.000 3/30618 380.0 1.264 1.264 1.529 -0.000 0.000 0.000 3/30618 390.0 1.230 1.230 1.488 -0.000 0.000 0.000 3/30618 400.0 1.198 1.198 1.449 -0.000 0.000 0.000 3/30618 410.0 1.167 1.167 1.413 -0.000 0.000 0.000 3/30618 420.0 1.139 1.139 1.378 -0.000 0.000 0.000 3/30618 430.0 1.111 1.111 1.344 -0.000 0.000 0.000 3/30618 440.0 1.085 1.085 1.313 -0.000 0.000 0.000 3/30618 450.0 1.060 1.060 1.283 -0.000 0.000 0.000 3/30618 460.0 1.036 1.036 1.254 -0.000 0.000 0.000 3/30618 470.0 1.013 1.013 1.226 -0.000 0.000 0.000 3/30618 480.0 0.992 0.992 1.200 -0.000 0.000 0.000 3/30618 490.0 0.971 0.971 1.175 -0.000 0.000 0.000 3/30618 500.0 0.951 0.951 1.151 -0.000 0.000 0.000 3/30618 510.0 0.932 0.932 1.128 -0.000 0.000 0.000 3/30618 520.0 0.913 0.913 1.105 -0.000 0.000 0.000 3/30618 530.0 0.896 0.896 1.084 -0.000 0.000 0.000 3/30618 540.0 0.879 0.879 1.063 -0.000 0.000 0.000 3/30618 550.0 0.862 0.862 1.044 -0.000 0.000 0.000 3/30618 560.0 0.847 0.847 1.025 -0.000 0.000 0.000 3/30618 570.0 0.832 0.832 1.006 -0.000 0.000 0.000 3/30618 580.0 0.817 0.817 0.989 -0.000 0.000 0.000 3/30618 590.0 0.803 0.803 0.971 -0.000 0.000 0.000 3/30618 600.0 0.789 0.789 0.955 -0.000 0.000 0.000 3/30618 610.0 0.776 0.776 0.939 -0.000 0.000 0.000 3/30618 620.0 0.763 0.763 0.924 -0.000 0.000 0.000 3/30618 630.0 0.751 0.751 0.909 -0.000 0.000 0.000 3/30618 640.0 0.739 0.739 0.894 -0.000 0.000 0.000 3/30618 650.0 0.727 0.727 0.880 -0.000 0.000 0.000 3/30618 660.0 0.716 0.716 0.867 -0.000 0.000 0.000 3/30618 670.0 0.705 0.705 0.854 -0.000 0.000 0.000 3/30618 680.0 0.695 0.695 0.841 -0.000 0.000 0.000 3/30618 690.0 0.685 0.685 0.829 -0.000 0.000 0.000 3/30618 700.0 0.675 0.675 0.817 -0.000 0.000 0.000 3/30618 710.0 0.665 0.665 0.805 -0.000 0.000 0.000 3/30618 720.0 0.656 0.656 0.794 -0.000 0.000 0.000 3/30618 730.0 0.647 0.647 0.783 -0.000 0.000 0.000 3/30618 740.0 0.638 0.638 0.772 -0.000 0.000 0.000 3/30618 750.0 0.629 0.629 0.761 -0.000 0.000 0.000 3/30618 760.0 0.621 0.621 0.751 -0.000 0.000 0.000 3/30618 770.0 0.613 0.613 0.741 -0.000 0.000 0.000 3/30618 780.0 0.605 0.605 0.732 -0.000 0.000 0.000 3/30618 790.0 0.597 0.597 0.722 -0.000 0.000 0.000 3/30618 800.0 0.589 0.589 0.713 -0.000 0.000 0.000 3/30618 810.0 0.582 0.582 0.704 -0.000 0.000 0.000 3/30618 820.0 0.575 0.575 0.696 -0.000 0.000 0.000 3/30618 830.0 0.568 0.568 0.687 -0.000 0.000 0.000 3/30618 840.0 0.561 0.561 0.679 -0.000 0.000 0.000 3/30618 850.0 0.554 0.554 0.671 -0.000 0.000 0.000 3/30618 860.0 0.548 0.548 0.663 -0.000 0.000 0.000 3/30618 870.0 0.542 0.542 0.655 -0.000 0.000 0.000 3/30618 880.0 0.535 0.535 0.648 -0.000 0.000 0.000 3/30618 890.0 0.529 0.529 0.641 -0.000 0.000 0.000 3/30618 900.0 0.523 0.523 0.633 -0.000 0.000 0.000 3/30618 910.0 0.518 0.518 0.626 -0.000 0.000 0.000 3/30618 920.0 0.512 0.512 0.620 -0.000 0.000 0.000 3/30618 930.0 0.506 0.506 0.613 -0.000 0.000 0.000 3/30618 940.0 0.501 0.501 0.606 -0.000 0.000 0.000 3/30618 950.0 0.496 0.496 0.600 -0.000 0.000 0.000 3/30618 960.0 0.490 0.490 0.594 -0.000 0.000 0.000 3/30618 970.0 0.485 0.485 0.587 -0.000 0.000 0.000 3/30618 980.0 0.480 0.480 0.581 -0.000 0.000 0.000 3/30618 990.0 0.475 0.475 0.575 -0.000 0.000 0.000 3/30618 1000.0 0.471 0.471 0.570 -0.000 0.000 0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:33:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|