----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:38:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689924200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.395008240000000 Atomic positions (fractional): *1 Y 0.93639224587425 0.75000000000000 0.97950442296149 88.906 2 Y 0.56360775412575 0.25000000000000 0.47950442296149 88.906 3 Y 0.43639224587426 0.75000000000000 0.52049557703851 88.906 4 Y 0.06360775412575 0.25000000000000 0.02049557703851 88.906 *5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 *9 O 0.94227798154620 0.25000000000000 0.63104570346133 15.999 *10 O 0.80594009034898 0.43124387563564 0.19109417268109 15.999 11 O 0.80594009034898 0.06875612436436 0.19109417268109 15.999 12 O 0.69405990965102 0.56875612436436 0.69109417268109 15.999 13 O 0.69405990965102 0.93124387563564 0.69109417268109 15.999 14 O 0.55772201845380 0.75000000000000 0.13104570346133 15.999 15 O 0.44227798154620 0.25000000000000 0.86895429653867 15.999 16 O 0.30594009034898 0.43124387563564 0.30890582731891 15.999 17 O 0.30594009034898 0.06875612436436 0.30890582731891 15.999 18 O 0.19405990965102 0.56875612436436 0.80890582731891 15.999 19 O 0.19405990965102 0.93124387563564 0.80890582731891 15.999 20 O 0.05772201845380 0.75000000000000 0.36895429653867 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.689924200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.395008240000000 Atomic positions (fractional): *1 Y 0.93639224587425 0.75000000000000 0.97950442296149 88.906 > 1 2 Y 0.56360775412575 0.25000000000000 0.47950442296149 88.906 > 2 3 Y 0.43639224587426 0.75000000000000 0.52049557703851 88.906 > 3 4 Y 0.06360775412575 0.25000000000000 0.02049557703851 88.906 > 4 *5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 > 5 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 > 6 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 > 7 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 > 8 *9 O 0.94227798154620 0.25000000000000 0.63104570346133 15.999 > 9 *10 O 0.80594009034898 0.43124387563564 0.19109417268109 15.999 > 10 11 O 0.80594009034898 0.06875612436436 0.19109417268109 15.999 > 11 12 O 0.69405990965102 0.56875612436436 0.69109417268109 15.999 > 12 13 O 0.69405990965102 0.93124387563564 0.69109417268109 15.999 > 13 14 O 0.55772201845380 0.75000000000000 0.13104570346133 15.999 > 14 15 O 0.44227798154620 0.25000000000000 0.86895429653867 15.999 > 15 16 O 0.30594009034898 0.43124387563564 0.30890582731891 15.999 > 16 17 O 0.30594009034898 0.06875612436436 0.30890582731891 15.999 > 17 18 O 0.19405990965102 0.56875612436436 0.80890582731891 15.999 > 18 19 O 0.19405990965102 0.93124387563564 0.80890582731891 15.999 > 19 20 O 0.05772201845380 0.75000000000000 0.36895429653867 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.379848400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.790016480000000 Atomic positions (fractional): *1 Y 0.46819612293713 0.75000000000000 0.48975221148075 88.906 > 1 2 Y 0.96819612293713 0.75000000000000 0.48975221148075 88.906 > 1 3 Y 0.46819612293713 0.75000000000000 0.98975221148075 88.906 > 1 4 Y 0.96819612293713 0.75000000000000 0.98975221148075 88.906 > 1 5 Y 0.28180387706287 0.25000000000000 0.23975221148075 88.906 > 2 6 Y 0.78180387706287 0.25000000000000 0.23975221148075 88.906 > 2 7 Y 0.28180387706287 0.25000000000000 0.73975221148075 88.906 > 2 8 Y 0.78180387706287 0.25000000000000 0.73975221148075 88.906 > 2 9 Y 0.21819612293713 0.75000000000000 0.26024778851925 88.906 > 3 10 Y 0.71819612293713 0.75000000000000 0.26024778851925 88.906 > 3 11 Y 0.21819612293713 0.75000000000000 0.76024778851925 88.906 > 3 12 Y 0.71819612293713 0.75000000000000 0.76024778851925 88.906 > 3 13 Y 0.03180387706287 0.25000000000000 0.01024778851925 88.906 > 4 14 Y 0.53180387706287 0.25000000000000 0.01024778851925 88.906 > 4 15 Y 0.03180387706287 0.25000000000000 0.51024778851925 88.906 > 4 16 Y 0.53180387706287 0.25000000000000 0.51024778851925 88.906 > 4 *17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 5 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 5 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 5 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 5 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 6 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 6 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 6 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 6 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 7 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 7 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 7 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 7 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 8 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 8 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 8 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 8 *33 O 0.47113899077310 0.25000000000000 0.31552285173067 15.999 > 9 34 O 0.97113899077310 0.25000000000000 0.31552285173067 15.999 > 9 35 O 0.47113899077310 0.25000000000000 0.81552285173067 15.999 > 9 36 O 0.97113899077310 0.25000000000000 0.81552285173067 15.999 > 9 *37 O 0.40297004517449 0.43124387563564 0.09554708634054 15.999 > 10 38 O 0.90297004517449 0.43124387563564 0.09554708634054 15.999 > 10 39 O 0.40297004517449 0.43124387563564 0.59554708634054 15.999 > 10 40 O 0.90297004517449 0.43124387563564 0.59554708634054 15.999 > 10 41 O 0.40297004517449 0.06875612436436 0.09554708634054 15.999 > 11 42 O 0.90297004517449 0.06875612436436 0.09554708634054 15.999 > 11 43 O 0.40297004517449 0.06875612436436 0.59554708634054 15.999 > 11 44 O 0.90297004517449 0.06875612436436 0.59554708634054 15.999 > 11 45 O 0.34702995482551 0.56875612436436 0.34554708634054 15.999 > 12 46 O 0.84702995482551 0.56875612436436 0.34554708634054 15.999 > 12 47 O 0.34702995482551 0.56875612436436 0.84554708634054 15.999 > 12 48 O 0.84702995482551 0.56875612436436 0.84554708634054 15.999 > 12 49 O 0.34702995482551 0.93124387563564 0.34554708634054 15.999 > 13 50 O 0.84702995482551 0.93124387563564 0.34554708634054 15.999 > 13 51 O 0.34702995482551 0.93124387563564 0.84554708634054 15.999 > 13 52 O 0.84702995482551 0.93124387563564 0.84554708634054 15.999 > 13 53 O 0.27886100922690 0.75000000000000 0.06552285173067 15.999 > 14 54 O 0.77886100922690 0.75000000000000 0.06552285173067 15.999 > 14 55 O 0.27886100922690 0.75000000000000 0.56552285173067 15.999 > 14 56 O 0.77886100922690 0.75000000000000 0.56552285173067 15.999 > 14 57 O 0.22113899077310 0.25000000000000 0.43447714826933 15.999 > 15 58 O 0.72113899077310 0.25000000000000 0.43447714826933 15.999 > 15 59 O 0.22113899077310 0.25000000000000 0.93447714826933 15.999 > 15 60 O 0.72113899077310 0.25000000000000 0.93447714826933 15.999 > 15 61 O 0.15297004517449 0.43124387563564 0.15445291365946 15.999 > 16 62 O 0.65297004517449 0.43124387563564 0.15445291365946 15.999 > 16 63 O 0.15297004517449 0.43124387563564 0.65445291365946 15.999 > 16 64 O 0.65297004517449 0.43124387563564 0.65445291365946 15.999 > 16 65 O 0.15297004517449 0.06875612436436 0.15445291365946 15.999 > 17 66 O 0.65297004517449 0.06875612436436 0.15445291365946 15.999 > 17 67 O 0.15297004517449 0.06875612436436 0.65445291365946 15.999 > 17 68 O 0.65297004517449 0.06875612436436 0.65445291365946 15.999 > 17 69 O 0.09702995482551 0.56875612436436 0.40445291365946 15.999 > 18 70 O 0.59702995482551 0.56875612436436 0.40445291365946 15.999 > 18 71 O 0.09702995482551 0.56875612436436 0.90445291365946 15.999 > 18 72 O 0.59702995482551 0.56875612436436 0.90445291365946 15.999 > 18 73 O 0.09702995482551 0.93124387563564 0.40445291365946 15.999 > 19 74 O 0.59702995482551 0.93124387563564 0.40445291365946 15.999 > 19 75 O 0.09702995482551 0.93124387563564 0.90445291365946 15.999 > 19 76 O 0.59702995482551 0.93124387563564 0.90445291365946 15.999 > 19 77 O 0.02886100922690 0.75000000000000 0.18447714826933 15.999 > 20 78 O 0.52886100922690 0.75000000000000 0.18447714826933 15.999 > 20 79 O 0.02886100922690 0.75000000000000 0.68447714826933 15.999 > 20 80 O 0.52886100922690 0.75000000000000 0.68447714826933 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8539068 0.0000000 0.0000000 0.0000000 4.5920482 0.0000000 0.0000000 0.0000000 4.8529018 -------------------------- Born effective charges -------------------------- 1 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 2 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 3 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 4 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 5 Sc 4.1342810 -0.1134684 -0.0859642 -0.1518650 3.9086627 -0.0657995 -0.2015212 -0.2551845 4.0569555 6 Sc 4.1342810 0.1134684 0.0859642 0.1518650 3.9086627 -0.0657995 0.2015212 -0.2551845 4.0569555 7 Sc 4.1342810 -0.1134684 0.0859642 -0.1518650 3.9086627 0.0657995 0.2015212 0.2551845 4.0569555 8 Sc 4.1342810 0.1134684 -0.0859642 0.1518650 3.9086627 0.0657995 -0.2015212 0.2551845 4.0569555 9 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 10 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 11 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 12 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 13 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 14 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 15 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 16 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 17 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 18 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 19 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 20 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 320 - Time: 0.748 Solver_block: 200 / 320 - Time: 0.744 Solver_block: 300 / 320 - Time: 0.745 Solver_block: 320 / 320 - Time: 0.191 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.445 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 994 Number of blocks in projector: 994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 172 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 138 Use standard eigh solver. Tree of FC basis block matrices: - (994, 966), data: False |-- (138, 134), data: True |-- (138, 134), data: True |-- (138, 134), data: True |-- (172, 168), data: True |-- (172, 168), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 23:38:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:38:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689924200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.395008240000000 Atomic positions (fractional): 1 Y 0.93639224587425 0.75000000000000 0.97950442296149 88.906 2 Y 0.56360775412575 0.25000000000000 0.47950442296149 88.906 3 Y 0.43639224587426 0.75000000000000 0.52049557703851 88.906 4 Y 0.06360775412575 0.25000000000000 0.02049557703851 88.906 5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.94227798154620 0.25000000000000 0.63104570346133 15.999 10 O 0.80594009034898 0.43124387563564 0.19109417268109 15.999 11 O 0.80594009034898 0.06875612436436 0.19109417268109 15.999 12 O 0.69405990965102 0.56875612436436 0.69109417268109 15.999 13 O 0.69405990965102 0.93124387563564 0.69109417268109 15.999 14 O 0.55772201845380 0.75000000000000 0.13104570346133 15.999 15 O 0.44227798154620 0.25000000000000 0.86895429653867 15.999 16 O 0.30594009034898 0.43124387563564 0.30890582731891 15.999 17 O 0.30594009034898 0.06875612436436 0.30890582731891 15.999 18 O 0.19405990965102 0.56875612436436 0.80890582731891 15.999 19 O 0.19405990965102 0.93124387563564 0.80890582731891 15.999 20 O 0.05772201845380 0.75000000000000 0.36895429653867 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.379848400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.790016480000000 Atomic positions (fractional): 1 Y 0.46819612293713 0.75000000000000 0.48975221148075 88.906 > 1 2 Y 0.96819612293713 0.75000000000000 0.48975221148075 88.906 > 1 3 Y 0.46819612293713 0.75000000000000 0.98975221148075 88.906 > 1 4 Y 0.96819612293713 0.75000000000000 0.98975221148075 88.906 > 1 5 Y 0.28180387706287 0.25000000000000 0.23975221148075 88.906 > 5 6 Y 0.78180387706287 0.25000000000000 0.23975221148075 88.906 > 5 7 Y 0.28180387706287 0.25000000000000 0.73975221148075 88.906 > 5 8 Y 0.78180387706287 0.25000000000000 0.73975221148075 88.906 > 5 9 Y 0.21819612293713 0.75000000000000 0.26024778851925 88.906 > 9 10 Y 0.71819612293713 0.75000000000000 0.26024778851925 88.906 > 9 11 Y 0.21819612293713 0.75000000000000 0.76024778851925 88.906 > 9 12 Y 0.71819612293713 0.75000000000000 0.76024778851925 88.906 > 9 13 Y 0.03180387706287 0.25000000000000 0.01024778851925 88.906 > 13 14 Y 0.53180387706287 0.25000000000000 0.01024778851925 88.906 > 13 15 Y 0.03180387706287 0.25000000000000 0.51024778851925 88.906 > 13 16 Y 0.53180387706287 0.25000000000000 0.51024778851925 88.906 > 13 17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 17 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 21 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 21 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 25 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 25 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 25 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 29 33 O 0.47113899077310 0.25000000000000 0.31552285173067 15.999 > 33 34 O 0.97113899077310 0.25000000000000 0.31552285173067 15.999 > 33 35 O 0.47113899077310 0.25000000000000 0.81552285173067 15.999 > 33 36 O 0.97113899077310 0.25000000000000 0.81552285173067 15.999 > 33 37 O 0.40297004517449 0.43124387563564 0.09554708634054 15.999 > 37 38 O 0.90297004517449 0.43124387563564 0.09554708634054 15.999 > 37 39 O 0.40297004517449 0.43124387563564 0.59554708634054 15.999 > 37 40 O 0.90297004517449 0.43124387563564 0.59554708634054 15.999 > 37 41 O 0.40297004517449 0.06875612436436 0.09554708634054 15.999 > 41 42 O 0.90297004517449 0.06875612436436 0.09554708634054 15.999 > 41 43 O 0.40297004517449 0.06875612436436 0.59554708634054 15.999 > 41 44 O 0.90297004517449 0.06875612436436 0.59554708634054 15.999 > 41 45 O 0.34702995482551 0.56875612436436 0.34554708634054 15.999 > 45 46 O 0.84702995482551 0.56875612436436 0.34554708634054 15.999 > 45 47 O 0.34702995482551 0.56875612436436 0.84554708634054 15.999 > 45 48 O 0.84702995482551 0.56875612436436 0.84554708634054 15.999 > 45 49 O 0.34702995482551 0.93124387563564 0.34554708634054 15.999 > 49 50 O 0.84702995482551 0.93124387563564 0.34554708634054 15.999 > 49 51 O 0.34702995482551 0.93124387563564 0.84554708634054 15.999 > 49 52 O 0.84702995482551 0.93124387563564 0.84554708634054 15.999 > 49 53 O 0.27886100922690 0.75000000000000 0.06552285173067 15.999 > 53 54 O 0.77886100922690 0.75000000000000 0.06552285173067 15.999 > 53 55 O 0.27886100922690 0.75000000000000 0.56552285173067 15.999 > 53 56 O 0.77886100922690 0.75000000000000 0.56552285173067 15.999 > 53 57 O 0.22113899077310 0.25000000000000 0.43447714826933 15.999 > 57 58 O 0.72113899077310 0.25000000000000 0.43447714826933 15.999 > 57 59 O 0.22113899077310 0.25000000000000 0.93447714826933 15.999 > 57 60 O 0.72113899077310 0.25000000000000 0.93447714826933 15.999 > 57 61 O 0.15297004517449 0.43124387563564 0.15445291365946 15.999 > 61 62 O 0.65297004517449 0.43124387563564 0.15445291365946 15.999 > 61 63 O 0.15297004517449 0.43124387563564 0.65445291365946 15.999 > 61 64 O 0.65297004517449 0.43124387563564 0.65445291365946 15.999 > 61 65 O 0.15297004517449 0.06875612436436 0.15445291365946 15.999 > 65 66 O 0.65297004517449 0.06875612436436 0.15445291365946 15.999 > 65 67 O 0.15297004517449 0.06875612436436 0.65445291365946 15.999 > 65 68 O 0.65297004517449 0.06875612436436 0.65445291365946 15.999 > 65 69 O 0.09702995482551 0.56875612436436 0.40445291365946 15.999 > 69 70 O 0.59702995482551 0.56875612436436 0.40445291365946 15.999 > 69 71 O 0.09702995482551 0.56875612436436 0.90445291365946 15.999 > 69 72 O 0.59702995482551 0.56875612436436 0.90445291365946 15.999 > 69 73 O 0.09702995482551 0.93124387563564 0.40445291365946 15.999 > 73 74 O 0.59702995482551 0.93124387563564 0.40445291365946 15.999 > 73 75 O 0.09702995482551 0.93124387563564 0.90445291365946 15.999 > 73 76 O 0.59702995482551 0.93124387563564 0.90445291365946 15.999 > 73 77 O 0.02886100922690 0.75000000000000 0.18447714826933 15.999 > 77 78 O 0.52886100922690 0.75000000000000 0.18447714826933 15.999 > 77 79 O 0.02886100922690 0.75000000000000 0.68447714826933 15.999 > 77 80 O 0.52886100922690 0.75000000000000 0.68447714826933 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8539068 0.0000000 0.0000000 0.0000000 4.5920482 0.0000000 0.0000000 0.0000000 4.8529018 -------------------------- Born effective charges -------------------------- 1 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 2 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 3 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 4 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 5 Sc 4.1342810 -0.1134684 -0.0859642 -0.1518650 3.9086627 -0.0657995 -0.2015212 -0.2551845 4.0569555 6 Sc 4.1342810 0.1134684 0.0859642 0.1518650 3.9086627 -0.0657995 0.2015212 -0.2551845 4.0569555 7 Sc 4.1342810 -0.1134684 0.0859642 -0.1518650 3.9086627 0.0657995 0.2015212 0.2551845 4.0569555 8 Sc 4.1342810 0.1134684 -0.0859642 0.1518650 3.9086627 0.0657995 -0.2015212 0.2551845 4.0569555 9 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 10 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 11 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 12 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 13 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 14 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 15 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 16 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 17 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 18 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 19 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 20 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, 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[ 37, 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: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xz) -0.00000003 (xz) 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 23:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:38:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.689924200000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.395008240000000 Atomic positions (fractional): 1 Y 0.93639224587425 0.75000000000000 0.97950442296149 88.906 2 Y 0.56360775412575 0.25000000000000 0.47950442296149 88.906 3 Y 0.43639224587426 0.75000000000000 0.52049557703851 88.906 4 Y 0.06360775412575 0.25000000000000 0.02049557703851 88.906 5 Sc 0.00000000000000 0.00000000000000 0.50000000000000 44.956 6 Sc 0.50000000000000 0.50000000000000 0.00000000000000 44.956 7 Sc 0.50000000000000 0.00000000000000 0.00000000000000 44.956 8 Sc 0.00000000000000 0.50000000000000 0.50000000000000 44.956 9 O 0.94227798154620 0.25000000000000 0.63104570346133 15.999 10 O 0.80594009034898 0.43124387563564 0.19109417268109 15.999 11 O 0.80594009034898 0.06875612436436 0.19109417268109 15.999 12 O 0.69405990965102 0.56875612436436 0.69109417268109 15.999 13 O 0.69405990965102 0.93124387563564 0.69109417268109 15.999 14 O 0.55772201845380 0.75000000000000 0.13104570346133 15.999 15 O 0.44227798154620 0.25000000000000 0.86895429653867 15.999 16 O 0.30594009034898 0.43124387563564 0.30890582731891 15.999 17 O 0.30594009034898 0.06875612436436 0.30890582731891 15.999 18 O 0.19405990965102 0.56875612436436 0.80890582731891 15.999 19 O 0.19405990965102 0.93124387563564 0.80890582731891 15.999 20 O 0.05772201845380 0.75000000000000 0.36895429653867 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.379848400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.878573439999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.790016480000000 Atomic positions (fractional): 1 Y 0.46819612293713 0.75000000000000 0.48975221148075 88.906 > 1 2 Y 0.96819612293713 0.75000000000000 0.48975221148075 88.906 > 1 3 Y 0.46819612293713 0.75000000000000 0.98975221148075 88.906 > 1 4 Y 0.96819612293713 0.75000000000000 0.98975221148075 88.906 > 1 5 Y 0.28180387706287 0.25000000000000 0.23975221148075 88.906 > 5 6 Y 0.78180387706287 0.25000000000000 0.23975221148075 88.906 > 5 7 Y 0.28180387706287 0.25000000000000 0.73975221148075 88.906 > 5 8 Y 0.78180387706287 0.25000000000000 0.73975221148075 88.906 > 5 9 Y 0.21819612293713 0.75000000000000 0.26024778851925 88.906 > 9 10 Y 0.71819612293713 0.75000000000000 0.26024778851925 88.906 > 9 11 Y 0.21819612293713 0.75000000000000 0.76024778851925 88.906 > 9 12 Y 0.71819612293713 0.75000000000000 0.76024778851925 88.906 > 9 13 Y 0.03180387706287 0.25000000000000 0.01024778851925 88.906 > 13 14 Y 0.53180387706287 0.25000000000000 0.01024778851925 88.906 > 13 15 Y 0.03180387706287 0.25000000000000 0.51024778851925 88.906 > 13 16 Y 0.53180387706287 0.25000000000000 0.51024778851925 88.906 > 13 17 Sc 0.00000000000000 0.00000000000000 0.25000000000000 44.956 > 17 18 Sc 0.50000000000000 0.00000000000000 0.25000000000000 44.956 > 17 19 Sc 0.00000000000000 0.00000000000000 0.75000000000000 44.956 > 17 20 Sc 0.50000000000000 0.00000000000000 0.75000000000000 44.956 > 17 21 Sc 0.25000000000000 0.50000000000000 0.00000000000000 44.956 > 21 22 Sc 0.75000000000000 0.50000000000000 0.00000000000000 44.956 > 21 23 Sc 0.25000000000000 0.50000000000000 0.50000000000000 44.956 > 21 24 Sc 0.75000000000000 0.50000000000000 0.50000000000000 44.956 > 21 25 Sc 0.25000000000000 0.00000000000000 0.00000000000000 44.956 > 25 26 Sc 0.75000000000000 0.00000000000000 0.00000000000000 44.956 > 25 27 Sc 0.25000000000000 0.00000000000000 0.50000000000000 44.956 > 25 28 Sc 0.75000000000000 0.00000000000000 0.50000000000000 44.956 > 25 29 Sc 0.00000000000000 0.50000000000000 0.25000000000000 44.956 > 29 30 Sc 0.50000000000000 0.50000000000000 0.25000000000000 44.956 > 29 31 Sc 0.00000000000000 0.50000000000000 0.75000000000000 44.956 > 29 32 Sc 0.50000000000000 0.50000000000000 0.75000000000000 44.956 > 29 33 O 0.47113899077310 0.25000000000000 0.31552285173067 15.999 > 33 34 O 0.97113899077310 0.25000000000000 0.31552285173067 15.999 > 33 35 O 0.47113899077310 0.25000000000000 0.81552285173067 15.999 > 33 36 O 0.97113899077310 0.25000000000000 0.81552285173067 15.999 > 33 37 O 0.40297004517449 0.43124387563564 0.09554708634054 15.999 > 37 38 O 0.90297004517449 0.43124387563564 0.09554708634054 15.999 > 37 39 O 0.40297004517449 0.43124387563564 0.59554708634054 15.999 > 37 40 O 0.90297004517449 0.43124387563564 0.59554708634054 15.999 > 37 41 O 0.40297004517449 0.06875612436436 0.09554708634054 15.999 > 41 42 O 0.90297004517449 0.06875612436436 0.09554708634054 15.999 > 41 43 O 0.40297004517449 0.06875612436436 0.59554708634054 15.999 > 41 44 O 0.90297004517449 0.06875612436436 0.59554708634054 15.999 > 41 45 O 0.34702995482551 0.56875612436436 0.34554708634054 15.999 > 45 46 O 0.84702995482551 0.56875612436436 0.34554708634054 15.999 > 45 47 O 0.34702995482551 0.56875612436436 0.84554708634054 15.999 > 45 48 O 0.84702995482551 0.56875612436436 0.84554708634054 15.999 > 45 49 O 0.34702995482551 0.93124387563564 0.34554708634054 15.999 > 49 50 O 0.84702995482551 0.93124387563564 0.34554708634054 15.999 > 49 51 O 0.34702995482551 0.93124387563564 0.84554708634054 15.999 > 49 52 O 0.84702995482551 0.93124387563564 0.84554708634054 15.999 > 49 53 O 0.27886100922690 0.75000000000000 0.06552285173067 15.999 > 53 54 O 0.77886100922690 0.75000000000000 0.06552285173067 15.999 > 53 55 O 0.27886100922690 0.75000000000000 0.56552285173067 15.999 > 53 56 O 0.77886100922690 0.75000000000000 0.56552285173067 15.999 > 53 57 O 0.22113899077310 0.25000000000000 0.43447714826933 15.999 > 57 58 O 0.72113899077310 0.25000000000000 0.43447714826933 15.999 > 57 59 O 0.22113899077310 0.25000000000000 0.93447714826933 15.999 > 57 60 O 0.72113899077310 0.25000000000000 0.93447714826933 15.999 > 57 61 O 0.15297004517449 0.43124387563564 0.15445291365946 15.999 > 61 62 O 0.65297004517449 0.43124387563564 0.15445291365946 15.999 > 61 63 O 0.15297004517449 0.43124387563564 0.65445291365946 15.999 > 61 64 O 0.65297004517449 0.43124387563564 0.65445291365946 15.999 > 61 65 O 0.15297004517449 0.06875612436436 0.15445291365946 15.999 > 65 66 O 0.65297004517449 0.06875612436436 0.15445291365946 15.999 > 65 67 O 0.15297004517449 0.06875612436436 0.65445291365946 15.999 > 65 68 O 0.65297004517449 0.06875612436436 0.65445291365946 15.999 > 65 69 O 0.09702995482551 0.56875612436436 0.40445291365946 15.999 > 69 70 O 0.59702995482551 0.56875612436436 0.40445291365946 15.999 > 69 71 O 0.09702995482551 0.56875612436436 0.90445291365946 15.999 > 69 72 O 0.59702995482551 0.56875612436436 0.90445291365946 15.999 > 69 73 O 0.09702995482551 0.93124387563564 0.40445291365946 15.999 > 73 74 O 0.59702995482551 0.93124387563564 0.40445291365946 15.999 > 73 75 O 0.09702995482551 0.93124387563564 0.90445291365946 15.999 > 73 76 O 0.59702995482551 0.93124387563564 0.90445291365946 15.999 > 73 77 O 0.02886100922690 0.75000000000000 0.18447714826933 15.999 > 77 78 O 0.52886100922690 0.75000000000000 0.18447714826933 15.999 > 77 79 O 0.02886100922690 0.75000000000000 0.68447714826933 15.999 > 77 80 O 0.52886100922690 0.75000000000000 0.68447714826933 15.999 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8539068 0.0000000 0.0000000 0.0000000 4.5920482 0.0000000 0.0000000 0.0000000 4.8529018 -------------------------- Born effective charges -------------------------- 1 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 2 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 3 Y 3.9698857 0.0000000 0.1246384 0.0000000 3.4290159 0.0000000 0.2341358 0.0000000 3.9828010 4 Y 3.9698857 0.0000000 -0.1246384 0.0000000 3.4290159 0.0000000 -0.2341358 0.0000000 3.9828010 5 Sc 4.1342810 -0.1134684 -0.0859642 -0.1518650 3.9086627 -0.0657995 -0.2015212 -0.2551845 4.0569555 6 Sc 4.1342810 0.1134684 0.0859642 0.1518650 3.9086627 -0.0657995 0.2015212 -0.2551845 4.0569555 7 Sc 4.1342810 -0.1134684 0.0859642 -0.1518650 3.9086627 0.0657995 0.2015212 0.2551845 4.0569555 8 Sc 4.1342810 0.1134684 -0.0859642 0.1518650 3.9086627 0.0657995 -0.2015212 0.2551845 4.0569555 9 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 10 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 11 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 12 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 13 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 14 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 15 O -2.1947416 0.0000000 0.4564998 0.0000000 -3.0232053 0.0000000 0.4061362 0.0000000 -2.6421617 16 O -2.9547126 0.2184360 0.4558995 0.2354814 -2.1572367 0.0423963 0.4277801 0.0037479 -2.6987974 17 O -2.9547126 -0.2184360 0.4558995 -0.2354814 -2.1572367 -0.0423963 0.4277801 -0.0037479 -2.6987974 18 O -2.9547126 0.2184360 -0.4558995 0.2354814 -2.1572367 -0.0423963 -0.4277801 -0.0037479 -2.6987974 19 O -2.9547126 -0.2184360 -0.4558995 -0.2354814 -2.1572367 0.0423963 -0.4277801 0.0037479 -2.6987974 20 O -2.1947416 0.0000000 -0.4564998 0.0000000 -3.0232053 0.0000000 -0.4061362 0.0000000 -2.6421617 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (yxy) 0.00000004 (yxy) 0.00000004 (yyx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 6 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: 0.67, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 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 2.698 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.548 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.107 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 5.726 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.270 ( 0.000 0.000 0.000) 0.000 7.986 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.933 ( 0.000 0.000 0.000) 0.000 9.036 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.164 ( 0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 10.412 ( 0.000 0.000 0.000) 0.000 11.353 ( 0.000 0.000 0.000) 0.000 11.374 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 11.566 ( 0.000 0.000 0.000) 0.000 12.758 ( 0.000 0.000 0.000) 0.000 13.045 ( 0.000 0.000 0.000) 0.000 13.094 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.225 ( 0.000 0.000 0.000) 0.000 13.595 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 13.910 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.743 ( 0.000 0.000 0.000) 0.000 14.765 ( 0.000 0.000 0.000) 0.000 14.854 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.200 ( 0.000 0.000 0.000) 0.000 15.946 ( 0.000 0.000 0.000) 0.000 16.046 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 17.963 ( 0.000 0.000 0.000) 0.000 19.655 ( 0.000 0.000 0.000) 0.000 19.730 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 39.515 0.000 0.000) 39.515 0.883 ( 44.533 0.000 0.000) 44.533 1.590 ( 79.275 0.000 0.000) 79.275 2.738 ( 3.383 0.000 0.000) 3.383 3.577 ( 14.660 0.000 0.000) 14.660 3.609 ( -3.841 0.000 0.000) 3.841 3.687 ( -6.708 0.000 0.000) 6.708 3.835 ( -13.367 0.000 0.000) 13.367 4.107 ( -0.722 0.000 0.000) 0.722 4.256 ( -6.035 0.000 0.000) 6.035 4.491 ( 2.546 0.000 0.000) 2.546 4.575 ( -0.273 0.000 0.000) 0.273 5.032 ( -1.788 0.000 0.000) 1.788 5.634 ( -5.498 0.000 0.000) 5.498 5.652 ( 10.498 0.000 0.000) 10.498 6.076 ( -12.946 0.000 0.000) 12.946 6.470 ( 2.931 0.000 0.000) 2.931 6.910 ( -6.773 0.000 0.000) 6.773 7.014 ( 10.993 0.000 0.000) 10.993 7.351 ( 7.978 0.000 0.000) 7.978 7.463 ( 2.703 0.000 0.000) 2.703 7.955 ( -1.909 0.000 0.000) 1.909 8.397 ( 9.649 0.000 0.000) 9.649 8.575 ( -2.435 0.000 0.000) 2.435 8.694 ( -20.379 0.000 0.000) 20.379 8.884 ( 5.365 0.000 0.000) 5.365 9.045 ( 0.878 0.000 0.000) 0.878 9.213 ( -2.825 0.000 0.000) 2.825 9.511 ( 0.213 0.000 0.000) 0.213 10.000 ( 13.340 0.000 0.000) 13.340 10.084 ( 6.901 0.000 0.000) 6.901 10.367 ( -2.093 0.000 0.000) 2.093 10.476 ( 5.753 0.000 0.000) 5.753 11.020 ( 2.093 0.000 0.000) 2.093 11.246 ( -10.019 0.000 0.000) 10.019 11.503 ( -1.387 0.000 0.000) 1.387 11.533 ( -3.484 0.000 0.000) 3.484 11.537 ( 4.156 0.000 0.000) 4.156 12.165 ( -13.852 0.000 0.000) 13.852 12.697 ( -5.494 0.000 0.000) 5.494 12.962 ( -11.072 0.000 0.000) 11.072 13.083 ( 1.400 0.000 0.000) 1.400 13.294 ( 6.192 0.000 0.000) 6.192 13.545 ( -4.811 0.000 0.000) 4.811 13.721 ( 0.767 0.000 0.000) 0.767 13.876 ( -5.265 0.000 0.000) 5.265 13.900 ( 0.002 0.000 0.000) 0.002 14.103 ( -0.447 0.000 0.000) 0.447 14.449 ( 12.260 0.000 0.000) 12.260 14.753 ( 0.860 0.000 0.000) 0.860 14.893 ( 4.499 0.000 0.000) 4.499 15.001 ( -2.205 0.000 0.000) 2.205 15.215 ( 1.570 0.000 0.000) 1.570 15.872 ( -5.127 0.000 0.000) 5.127 16.123 ( 5.136 0.000 0.000) 5.136 16.305 ( -2.049 0.000 0.000) 2.049 18.044 ( 8.237 0.000 0.000) 8.237 19.691 ( 3.655 0.000 0.000) 3.655 19.723 ( -0.885 0.000 0.000) 0.885 20.766 ( -3.787 0.000 0.000) 3.787 ======================= Grid point 2 (3/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 35.393 0.000 0.000) 35.393 1.719 ( 40.292 0.000 0.000) 40.292 2.769 ( -2.239 0.000 0.000) 2.239 3.026 ( 64.441 0.000 0.000) 64.441 3.443 ( -21.507 0.000 0.000) 21.507 3.502 ( -6.828 0.000 0.000) 6.828 3.563 ( -3.934 0.000 0.000) 3.934 3.926 ( 15.473 0.000 0.000) 15.473 4.064 ( -3.279 0.000 0.000) 3.279 4.114 ( -7.035 0.000 0.000) 7.035 4.604 ( 8.349 0.000 0.000) 8.349 4.607 ( 5.003 0.000 0.000) 5.003 4.957 ( -6.425 0.000 0.000) 6.425 5.604 ( -20.261 0.000 0.000) 20.261 5.636 ( 6.961 0.000 0.000) 6.961 6.052 ( 15.729 0.000 0.000) 15.729 6.549 ( 4.953 0.000 0.000) 4.953 6.752 ( -7.917 0.000 0.000) 7.917 7.174 ( 4.263 0.000 0.000) 4.263 7.465 ( -3.669 0.000 0.000) 3.669 7.528 ( 6.467 0.000 0.000) 6.467 7.981 ( 5.478 0.000 0.000) 5.478 8.295 ( -15.466 0.000 0.000) 15.466 8.509 ( -4.319 0.000 0.000) 4.319 8.674 ( 17.751 0.000 0.000) 17.751 9.004 ( 6.289 0.000 0.000) 6.289 9.018 ( -7.719 0.000 0.000) 7.719 9.150 ( -0.166 0.000 0.000) 0.166 9.516 ( 0.202 0.000 0.000) 0.202 10.202 ( -2.213 0.000 0.000) 2.213 10.257 ( 11.716 0.000 0.000) 11.716 10.348 ( 6.351 0.000 0.000) 6.351 10.559 ( -0.693 0.000 0.000) 0.693 11.058 ( -6.323 0.000 0.000) 6.323 11.078 ( 3.653 0.000 0.000) 3.653 11.427 ( -7.325 0.000 0.000) 7.325 11.449 ( -3.989 0.000 0.000) 3.989 11.630 ( 5.860 0.000 0.000) 5.860 11.869 ( -15.341 0.000 0.000) 15.341 12.568 ( -7.492 0.000 0.000) 7.492 12.769 ( -6.700 0.000 0.000) 6.700 13.046 ( -4.840 0.000 0.000) 4.840 13.421 ( -7.652 0.000 0.000) 7.652 13.435 ( 7.746 0.000 0.000) 7.746 13.677 ( -14.309 0.000 0.000) 14.309 13.742 ( 1.387 0.000 0.000) 1.387 13.906 ( 0.761 0.000 0.000) 0.761 14.087 ( -1.286 0.000 0.000) 1.286 14.762 ( 18.071 0.000 0.000) 18.071 14.768 ( 0.554 0.000 0.000) 0.554 14.942 ( -3.590 0.000 0.000) 3.590 15.027 ( 8.316 0.000 0.000) 8.316 15.269 ( 4.466 0.000 0.000) 4.466 15.777 ( -4.128 0.000 0.000) 4.128 16.200 ( 2.027 0.000 0.000) 2.027 16.241 ( -4.569 0.000 0.000) 4.569 18.279 ( 15.434 0.000 0.000) 15.434 19.683 ( -3.635 0.000 0.000) 3.635 19.793 ( 6.599 0.000 0.000) 6.599 20.660 ( -6.898 0.000 0.000) 6.898 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 29.467 0.000 0.000) 29.467 2.368 ( 20.632 0.000 0.000) 20.632 2.629 ( -10.490 0.000 0.000) 10.490 3.116 ( -5.098 0.000 0.000) 5.098 3.320 ( -10.917 0.000 0.000) 10.917 3.565 ( 2.830 0.000 0.000) 2.830 3.860 ( 11.831 0.000 0.000) 11.831 4.002 ( -2.652 0.000 0.000) 2.652 4.099 ( 10.593 0.000 0.000) 10.593 4.155 ( 7.939 0.000 0.000) 7.939 4.755 ( 3.630 0.000 0.000) 3.630 4.769 ( -12.733 0.000 0.000) 12.733 4.869 ( 21.896 0.000 0.000) 21.896 5.183 ( -17.559 0.000 0.000) 17.559 5.892 ( 17.997 0.000 0.000) 17.997 6.412 ( 19.066 0.000 0.000) 19.066 6.646 ( 4.063 0.000 0.000) 4.063 6.702 ( 6.475 0.000 0.000) 6.475 7.186 ( -2.354 0.000 0.000) 2.354 7.338 ( -8.126 0.000 0.000) 8.126 7.401 ( -17.449 0.000 0.000) 17.449 8.136 ( 9.027 0.000 0.000) 9.027 8.321 ( 16.618 0.000 0.000) 16.618 8.394 ( -9.073 0.000 0.000) 9.073 8.732 ( -19.151 0.000 0.000) 19.151 9.012 ( 13.923 0.000 0.000) 13.923 9.122 ( 5.797 0.000 0.000) 5.797 9.200 ( 3.472 0.000 0.000) 3.472 9.520 ( 0.380 0.000 0.000) 0.380 9.996 ( -14.940 0.000 0.000) 14.940 10.401 ( -11.641 0.000 0.000) 11.641 10.425 ( 4.599 0.000 0.000) 4.599 10.590 ( 14.939 0.000 0.000) 14.939 11.050 ( 2.923 0.000 0.000) 2.923 11.149 ( 2.939 0.000 0.000) 2.939 11.263 ( -8.494 0.000 0.000) 8.494 11.373 ( -3.171 0.000 0.000) 3.171 11.585 ( -13.697 0.000 0.000) 13.697 11.780 ( 9.525 0.000 0.000) 9.525 12.406 ( -9.110 0.000 0.000) 9.110 12.731 ( 2.496 0.000 0.000) 2.496 12.939 ( -4.695 0.000 0.000) 4.695 13.251 ( -9.537 0.000 0.000) 9.537 13.368 ( -16.007 0.000 0.000) 16.007 13.583 ( 7.171 0.000 0.000) 7.171 13.769 ( 1.114 0.000 0.000) 1.114 13.930 ( 1.596 0.000 0.000) 1.596 14.052 ( -2.296 0.000 0.000) 2.296 14.773 ( 0.024 0.000 0.000) 0.024 14.869 ( -3.685 0.000 0.000) 3.685 15.061 ( 10.340 0.000 0.000) 10.340 15.171 ( 5.377 0.000 0.000) 5.377 15.434 ( 13.609 0.000 0.000) 13.609 15.737 ( 0.696 0.000 0.000) 0.696 16.126 ( -7.119 0.000 0.000) 7.119 16.182 ( -4.217 0.000 0.000) 4.217 18.626 ( 19.474 0.000 0.000) 19.474 19.566 ( -8.634 0.000 0.000) 8.634 19.943 ( 8.629 0.000 0.000) 8.629 20.503 ( -8.957 0.000 0.000) 8.957 ======================= Grid point 4 (5/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -3.754 0.000 0.000) 3.754 2.450 ( -5.774 0.000 0.000) 5.774 2.672 ( 22.848 0.000 0.000) 22.848 3.055 ( -16.437 0.000 0.000) 16.437 3.350 ( 18.894 0.000 0.000) 18.894 3.582 ( -3.726 0.000 0.000) 3.726 3.927 ( 1.935 0.000 0.000) 1.935 3.962 ( -1.682 0.000 0.000) 1.682 4.281 ( 6.934 0.000 0.000) 6.934 4.309 ( 10.515 0.000 0.000) 10.515 4.489 ( -14.225 0.000 0.000) 14.225 4.576 ( -16.355 0.000 0.000) 16.355 5.117 ( 5.515 0.000 0.000) 5.515 5.167 ( 4.207 0.000 0.000) 4.207 6.283 ( 20.693 0.000 0.000) 20.693 6.620 ( -10.150 0.000 0.000) 10.150 6.760 ( 15.872 0.000 0.000) 15.872 6.963 ( 2.715 0.000 0.000) 2.715 7.109 ( -7.018 0.000 0.000) 7.018 7.114 ( -3.957 0.000 0.000) 3.957 7.313 ( 20.930 0.000 0.000) 20.930 7.980 ( -34.048 0.000 0.000) 34.048 8.302 ( 7.672 0.000 0.000) 7.672 8.447 ( -8.495 0.000 0.000) 8.495 8.737 ( 22.563 0.000 0.000) 22.563 9.081 ( -8.970 0.000 0.000) 8.970 9.224 ( 4.044 0.000 0.000) 4.044 9.252 ( 1.170 0.000 0.000) 1.170 9.551 ( 3.818 0.000 0.000) 3.818 9.709 ( -12.511 0.000 0.000) 12.511 10.288 ( 2.395 0.000 0.000) 2.395 10.409 ( -5.905 0.000 0.000) 5.905 10.894 ( 15.636 0.000 0.000) 15.636 11.097 ( 1.646 0.000 0.000) 1.646 11.138 ( -3.699 0.000 0.000) 3.699 11.141 ( -6.555 0.000 0.000) 6.555 11.333 ( -0.984 0.000 0.000) 0.984 11.363 ( -6.540 0.000 0.000) 6.540 11.990 ( 11.497 0.000 0.000) 11.497 12.211 ( -10.813 0.000 0.000) 10.813 12.834 ( 6.966 0.000 0.000) 6.966 12.902 ( 0.598 0.000 0.000) 0.598 13.069 ( -7.742 0.000 0.000) 7.742 13.098 ( -10.306 0.000 0.000) 10.306 13.706 ( 5.095 0.000 0.000) 5.095 13.771 ( -1.412 0.000 0.000) 1.412 13.964 ( 1.821 0.000 0.000) 1.821 14.004 ( -2.365 0.000 0.000) 2.365 14.777 ( 0.709 0.000 0.000) 0.709 14.808 ( -2.433 0.000 0.000) 2.433 15.181 ( 3.461 0.000 0.000) 3.461 15.219 ( -0.240 0.000 0.000) 0.240 15.751 ( 16.551 0.000 0.000) 16.551 15.815 ( 6.803 0.000 0.000) 6.803 15.971 ( -8.482 0.000 0.000) 8.482 16.029 ( -11.347 0.000 0.000) 11.347 19.009 ( 18.910 0.000 0.000) 18.910 19.340 ( -14.526 0.000 0.000) 14.526 20.124 ( 9.749 0.000 0.000) 9.749 20.317 ( -9.888 0.000 0.000) 9.888 ======================= Grid point 9 (6/100) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 38.529 0.000) 38.529 0.945 ( 0.000 43.987 0.000) 43.987 1.451 ( 0.000 63.159 0.000) 63.159 2.798 ( 0.000 6.822 0.000) 6.822 3.172 ( 0.000 -20.547 0.000) 20.547 3.811 ( 0.000 4.856 0.000) 4.856 4.096 ( 0.000 -20.545 0.000) 20.545 4.238 ( 0.000 11.825 0.000) 11.825 4.240 ( 0.000 -18.520 0.000) 18.520 4.337 ( 0.000 -10.674 0.000) 10.674 4.370 ( 0.000 21.912 0.000) 21.912 4.995 ( 0.000 -4.964 0.000) 4.964 5.287 ( 0.000 18.650 0.000) 18.650 5.453 ( 0.000 -7.374 0.000) 7.374 5.949 ( 0.000 15.046 0.000) 15.046 5.976 ( 0.000 -17.025 0.000) 17.025 6.392 ( 0.000 -2.450 0.000) 2.450 6.747 ( 0.000 23.158 0.000) 23.158 6.833 ( 0.000 -2.622 0.000) 2.622 7.174 ( 0.000 -6.004 0.000) 6.004 7.376 ( 0.000 9.095 0.000) 9.095 7.865 ( 0.000 -11.011 0.000) 11.011 8.461 ( 0.000 -11.300 0.000) 11.300 8.528 ( 0.000 5.370 0.000) 5.370 8.823 ( 0.000 -9.258 0.000) 9.258 9.119 ( 0.000 4.912 0.000) 4.912 9.230 ( 0.000 -0.204 0.000) 0.204 9.253 ( 0.000 -6.206 0.000) 6.206 9.560 ( 0.000 3.615 0.000) 3.615 9.945 ( 0.000 7.863 0.000) 7.863 10.001 ( 0.000 -1.061 0.000) 1.061 10.063 ( 0.000 -8.399 0.000) 8.399 10.398 ( 0.000 2.745 0.000) 2.745 10.867 ( 0.000 4.075 0.000) 4.075 11.293 ( 0.000 -2.417 0.000) 2.417 11.444 ( 0.000 -6.552 0.000) 6.552 11.517 ( 0.000 9.321 0.000) 9.321 11.650 ( 0.000 7.866 0.000) 7.866 12.777 ( 0.000 -19.294 0.000) 19.294 12.849 ( 0.000 8.092 0.000) 8.092 12.908 ( 0.000 -12.855 0.000) 12.855 13.126 ( 0.000 -1.717 0.000) 1.717 13.269 ( 0.000 -6.064 0.000) 6.064 13.333 ( 0.000 5.323 0.000) 5.323 13.864 ( 0.000 -3.037 0.000) 3.037 13.895 ( 0.000 -1.415 0.000) 1.415 14.018 ( 0.000 25.584 0.000) 25.584 14.038 ( 0.000 5.362 0.000) 5.362 14.639 ( 0.000 -6.005 0.000) 6.005 14.844 ( 0.000 3.631 0.000) 3.631 14.906 ( 0.000 4.525 0.000) 4.525 15.046 ( 0.000 2.048 0.000) 2.048 15.195 ( 0.000 -0.278 0.000) 0.278 15.909 ( 0.000 -3.276 0.000) 3.276 15.994 ( 0.000 -4.597 0.000) 4.597 16.271 ( 0.000 -15.990 0.000) 15.990 18.100 ( 0.000 11.414 0.000) 11.414 19.003 ( 0.000 -4.289 0.000) 4.289 19.651 ( 0.000 -0.314 0.000) 0.314 19.716 ( 0.000 -1.265 0.000) 1.265 ======================= Grid point 10 (7/100) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 22.285 23.922 0.000) 32.694 1.196 ( 26.783 27.236 0.000) 38.198 2.178 ( 57.743 42.758 0.000) 71.851 2.823 ( 2.328 5.499 0.000) 5.972 3.108 ( -5.161 -21.245 0.000) 21.863 3.748 ( -6.000 5.289 0.000) 7.998 3.972 ( -11.689 -10.966 0.000) 16.028 4.147 ( -6.218 0.709 0.000) 6.258 4.197 ( -2.796 -6.536 0.000) 7.109 4.411 ( -0.590 21.355 0.000) 21.363 4.433 ( 7.154 0.056 0.000) 7.154 4.661 ( -21.075 33.672 0.000) 39.724 4.994 ( -0.362 -3.698 0.000) 3.716 5.561 ( 8.634 -8.616 0.000) 12.197 5.771 ( -10.480 10.857 0.000) 15.090 5.865 ( -9.263 -15.440 0.000) 18.005 6.688 ( 5.466 -11.899 0.000) 13.094 6.765 ( 2.042 23.577 0.000) 23.665 6.991 ( 11.922 -2.309 0.000) 12.143 7.318 ( 9.660 -9.519 0.000) 13.562 7.461 ( 8.323 9.332 0.000) 12.505 7.816 ( -1.855 -10.962 0.000) 11.118 8.456 ( -1.187 -9.191 0.000) 9.268 8.555 ( 3.875 7.606 0.000) 8.536 8.693 ( -13.506 -3.058 0.000) 13.848 9.044 ( -3.338 0.520 0.000) 3.378 9.108 ( -3.610 8.657 0.000) 9.380 9.208 ( -3.413 -0.452 0.000) 3.443 9.531 ( 0.227 4.170 0.000) 4.176 10.046 ( 7.939 1.449 0.000) 8.070 10.071 ( 6.555 -0.246 0.000) 6.560 10.334 ( 15.013 -12.061 0.000) 19.257 10.403 ( 0.847 5.102 0.000) 5.171 10.848 ( -1.656 -2.607 0.000) 3.089 11.324 ( -1.898 -4.816 0.000) 5.176 11.420 ( -2.537 -6.753 0.000) 7.213 11.503 ( 0.826 9.124 0.000) 9.161 11.621 ( -3.177 7.360 0.000) 8.016 12.473 ( -22.279 6.550 0.000) 23.222 12.774 ( -6.259 3.061 0.000) 6.968 12.833 ( -7.762 -6.471 0.000) 10.105 12.980 ( -2.990 -5.412 0.000) 6.183 13.329 ( -0.794 -10.159 0.000) 10.190 13.364 ( 3.832 4.270 0.000) 5.737 13.811 ( -6.101 -4.189 0.000) 7.401 13.906 ( 0.754 -0.639 0.000) 0.988 14.005 ( -2.835 12.552 0.000) 12.868 14.127 ( 3.262 8.975 0.000) 9.550 14.585 ( 3.505 4.457 0.000) 5.670 14.792 ( -0.174 4.971 0.000) 4.974 14.946 ( 4.247 4.515 0.000) 6.199 15.029 ( -1.663 2.658 0.000) 3.136 15.211 ( 1.423 -0.378 0.000) 1.472 15.834 ( -5.115 -3.312 0.000) 6.093 16.068 ( 4.741 -5.024 0.000) 6.908 16.177 ( -3.690 -12.174 0.000) 12.721 18.171 ( 7.685 10.984 0.000) 13.405 19.684 ( 3.301 -0.593 0.000) 3.354 19.712 ( -0.538 -0.977 0.000) 1.115 19.855 ( 39.793 -46.176 0.000) 60.957 ======================= Grid point 11 (8/100) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 24.038 5.022 0.000) 24.557 1.824 ( 33.996 9.569 0.000) 35.317 2.870 ( 1.914 5.980 0.000) 6.279 2.930 ( -8.854 -22.655 0.000) 24.324 3.362 ( 50.791 24.125 0.000) 56.229 3.613 ( -6.414 3.918 0.000) 7.516 3.705 ( -11.673 -0.842 0.000) 11.703 4.035 ( -4.889 -2.576 0.000) 5.526 4.134 ( -2.860 -0.709 0.000) 2.947 4.415 ( 3.503 32.105 0.000) 32.295 4.539 ( 0.256 5.302 0.000) 5.308 4.577 ( 6.306 0.268 0.000) 6.312 4.965 ( -3.123 0.916 0.000) 3.254 5.459 ( -17.053 -12.161 0.000) 20.945 5.710 ( 6.153 5.392 0.000) 8.181 5.948 ( 16.608 -8.945 0.000) 18.864 6.639 ( -5.030 -5.761 0.000) 7.648 6.827 ( 3.875 23.455 0.000) 23.773 7.204 ( 5.736 -3.851 0.000) 6.909 7.417 ( 2.314 -2.908 0.000) 3.716 7.648 ( 7.325 10.019 0.000) 12.411 7.859 ( 5.964 -10.993 0.000) 12.506 8.326 ( -11.030 2.093 0.000) 11.227 8.475 ( -4.665 -2.986 0.000) 5.539 8.709 ( 11.351 3.974 0.000) 12.026 8.992 ( -6.079 -2.498 0.000) 6.572 9.112 ( -3.324 -3.262 0.000) 4.658 9.128 ( 3.309 7.024 0.000) 7.764 9.555 ( 2.054 5.990 0.000) 6.333 10.142 ( -2.014 -3.764 0.000) 4.269 10.229 ( 10.720 -2.935 0.000) 11.114 10.458 ( 5.079 8.594 0.000) 9.982 10.555 ( 4.698 -1.505 0.000) 4.933 10.805 ( -0.700 -9.774 0.000) 9.799 11.247 ( -2.717 -1.439 0.000) 3.075 11.344 ( -4.917 -7.128 0.000) 8.660 11.517 ( -1.425 2.456 0.000) 2.840 11.520 ( -6.979 6.523 0.000) 9.553 12.128 ( -12.111 13.694 0.000) 18.282 12.642 ( -7.149 4.008 0.000) 8.196 12.670 ( -6.649 -6.005 0.000) 8.959 12.918 ( -4.047 -10.310 0.000) 11.076 13.260 ( -5.875 -9.573 0.000) 11.232 13.461 ( 3.649 -0.580 0.000) 3.695 13.625 ( -10.530 -1.491 0.000) 10.635 13.924 ( 1.182 0.728 0.000) 1.388 13.942 ( -2.882 11.679 0.000) 12.029 14.122 ( -1.929 3.800 0.000) 4.262 14.757 ( 5.173 0.853 0.000) 5.243 14.856 ( 10.645 6.422 0.000) 12.432 14.968 ( -3.329 2.413 0.000) 4.112 15.075 ( 6.903 4.026 0.000) 7.991 15.263 ( 4.594 -0.368 0.000) 4.608 15.742 ( -3.739 -2.859 0.000) 4.707 16.120 ( -2.977 -10.728 0.000) 11.133 16.139 ( 2.001 -5.543 0.000) 5.893 18.391 ( 14.506 10.075 0.000) 17.662 19.681 ( -3.001 -0.165 0.000) 3.006 19.776 ( 5.800 -1.523 0.000) 5.996 20.259 ( 7.311 -31.197 0.000) 32.042 ======================= Grid point 12 (9/100) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 15.284 -9.789 0.000) 18.150 2.380 ( 13.767 0.249 0.000) 13.769 2.755 ( 1.728 -19.782 0.000) 19.858 2.900 ( 2.429 14.391 0.000) 14.594 3.494 ( -7.508 5.421 0.000) 9.260 3.537 ( -1.635 -3.147 0.000) 3.547 3.908 ( 1.280 2.739 0.000) 3.023 3.967 ( -2.013 -2.255 0.000) 3.023 4.199 ( 7.187 7.652 0.000) 10.498 4.441 ( -1.689 12.427 0.000) 12.541 4.609 ( -4.567 -6.954 0.000) 8.320 4.810 ( -14.160 0.204 0.000) 14.162 4.816 ( 27.927 10.738 0.000) 29.920 5.215 ( -3.456 3.019 0.000) 4.589 5.982 ( 18.790 6.695 0.000) 19.947 6.305 ( 18.373 -9.442 0.000) 20.657 6.650 ( 10.320 -1.130 0.000) 10.382 6.882 ( 0.312 20.378 0.000) 20.380 7.206 ( -3.413 -6.599 0.000) 7.430 7.423 ( -1.853 9.721 0.000) 9.896 7.563 ( -13.364 13.440 0.000) 18.953 8.034 ( 10.861 -8.965 0.000) 14.083 8.359 ( 6.731 2.500 0.000) 7.180 8.398 ( 1.542 1.026 0.000) 1.852 8.719 ( -19.343 -1.062 0.000) 19.372 8.936 ( 9.845 -3.177 0.000) 10.345 9.135 ( 3.355 -6.154 0.000) 7.009 9.187 ( 2.196 2.373 0.000) 3.233 9.613 ( 3.748 9.483 0.000) 10.197 9.991 ( -11.890 0.001 0.000) 11.890 10.431 ( -11.735 2.799 0.000) 12.064 10.436 ( 8.275 -1.301 0.000) 8.377 10.563 ( 5.518 -0.591 0.000) 5.549 10.904 ( 6.674 -8.538 0.000) 10.837 11.246 ( 0.953 -6.250 0.000) 6.322 11.256 ( -3.470 -7.611 0.000) 8.365 11.380 ( -6.007 8.043 0.000) 10.039 11.422 ( -6.946 2.697 0.000) 7.451 12.016 ( 0.131 13.673 0.000) 13.673 12.471 ( -9.679 5.905 0.000) 11.339 12.639 ( 2.743 -8.313 0.000) 8.754 12.840 ( -2.903 -9.357 0.000) 9.797 13.113 ( -8.852 -9.557 0.000) 13.027 13.282 ( -15.295 -7.384 0.000) 16.984 13.646 ( 6.807 5.384 0.000) 8.679 13.902 ( -1.492 9.163 0.000) 9.284 13.953 ( 1.690 1.510 0.000) 2.266 14.075 ( -2.776 2.128 0.000) 3.498 14.787 ( 0.432 1.522 0.000) 1.582 14.895 ( -3.786 2.456 0.000) 4.513 15.072 ( 7.469 0.581 0.000) 7.491 15.186 ( 3.504 0.975 0.000) 3.637 15.439 ( 13.870 0.784 0.000) 13.892 15.713 ( 1.383 -1.648 0.000) 2.151 16.044 ( -4.999 -7.333 0.000) 8.875 16.127 ( -3.550 -4.953 0.000) 6.094 18.717 ( 18.142 8.300 0.000) 19.950 19.579 ( -7.662 1.281 0.000) 7.769 19.904 ( 7.165 -3.498 0.000) 7.974 20.283 ( -2.894 -18.909 0.000) 19.129 ======================= Grid point 13 (10/100) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 6.675 -13.634 0.000) 15.180 2.296 ( -9.256 -10.061 0.000) 13.672 3.008 ( 7.859 15.371 0.000) 17.264 3.047 ( 11.224 -6.369 0.000) 12.906 3.385 ( -0.685 6.739 0.000) 6.774 3.490 ( -5.012 -7.891 0.000) 9.348 3.907 ( 1.464 -1.819 0.000) 2.335 3.944 ( -1.173 -1.460 0.000) 1.873 4.284 ( 3.142 4.662 0.000) 5.622 4.410 ( -11.617 -3.287 0.000) 12.073 4.421 ( 1.977 -1.138 0.000) 2.281 4.551 ( -10.249 -4.405 0.000) 11.155 5.208 ( 8.976 11.861 0.000) 14.875 5.243 ( 2.587 12.401 0.000) 12.668 6.343 ( 17.921 4.295 0.000) 18.429 6.583 ( 3.128 -8.541 0.000) 9.096 6.810 ( -1.673 11.562 0.000) 11.683 6.930 ( -0.680 -1.149 0.000) 1.335 7.267 ( 19.016 5.582 0.000) 19.818 7.368 ( -4.306 19.006 0.000) 19.487 7.410 ( 7.756 11.923 0.000) 14.224 8.023 ( -33.152 3.972 0.000) 33.389 8.233 ( 8.835 -5.303 0.000) 10.304 8.386 ( -8.170 -4.611 0.000) 9.382 8.760 ( 18.098 1.281 0.000) 18.144 9.006 ( -4.716 -5.318 0.000) 7.108 9.201 ( 2.689 -4.826 0.000) 5.525 9.216 ( 0.984 -1.433 0.000) 1.738 9.668 ( 1.657 10.437 0.000) 10.568 9.762 ( -9.331 5.294 0.000) 10.728 10.302 ( 1.415 1.443 0.000) 2.021 10.426 ( -7.201 1.388 0.000) 7.333 10.752 ( 12.140 -10.254 0.000) 15.891 10.944 ( -4.727 -9.075 0.000) 10.232 11.206 ( -2.544 -11.287 0.000) 11.570 11.209 ( -1.618 -8.627 0.000) 8.777 11.327 ( 0.352 12.078 0.000) 12.083 11.349 ( -1.153 11.905 0.000) 11.961 12.097 ( 7.370 8.642 0.000) 11.358 12.275 ( -10.118 5.706 0.000) 11.616 12.750 ( 7.894 -8.166 0.000) 11.358 12.845 ( 3.863 -6.667 0.000) 7.706 12.929 ( -9.395 -10.171 0.000) 13.846 13.007 ( -11.791 -7.298 0.000) 13.867 13.775 ( 5.926 5.555 0.000) 8.123 13.864 ( -2.978 7.032 0.000) 7.636 13.986 ( 1.627 1.712 0.000) 2.362 14.022 ( -2.332 1.583 0.000) 2.819 14.798 ( 0.927 1.978 0.000) 2.184 14.831 ( -2.570 2.263 0.000) 3.425 15.163 ( 3.027 -1.791 0.000) 3.517 15.205 ( -1.087 -1.506 0.000) 1.857 15.741 ( 15.213 -0.769 0.000) 15.233 15.794 ( 6.208 -1.546 0.000) 6.397 15.927 ( -6.738 -3.797 0.000) 7.734 15.994 ( -10.116 -3.165 0.000) 10.600 19.071 ( 17.451 5.843 0.000) 18.403 19.375 ( -13.233 3.342 0.000) 13.649 20.049 ( 7.458 -6.764 0.000) 10.069 20.187 ( -6.411 -11.610 0.000) 13.263 ======================= Grid point 18 (11/100) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.000 36.231 0.000) 36.231 1.844 ( 0.000 40.422 0.000) 40.422 2.482 ( 0.000 28.147 0.000) 28.147 2.795 ( 0.000 -11.168 0.000) 11.168 2.863 ( 0.000 -7.344 0.000) 7.344 3.517 ( 0.000 -31.118 0.000) 31.118 3.962 ( 0.000 8.957 0.000) 8.957 4.074 ( 0.000 6.654 0.000) 6.654 4.182 ( 0.000 -1.866 0.000) 1.866 4.573 ( 0.000 18.839 0.000) 18.839 4.667 ( 0.000 3.252 0.000) 3.252 4.867 ( 0.000 -5.145 0.000) 5.145 5.232 ( 0.000 -12.624 0.000) 12.624 5.558 ( 0.000 -21.714 0.000) 21.714 5.660 ( 0.000 16.463 0.000) 16.463 6.271 ( 0.000 -10.063 0.000) 10.063 6.309 ( 0.000 17.567 0.000) 17.567 6.818 ( 0.000 1.174 0.000) 1.174 7.016 ( 0.000 -6.273 0.000) 6.273 7.342 ( 0.000 31.311 0.000) 31.311 7.550 ( 0.000 -17.913 0.000) 17.913 7.614 ( 0.000 12.821 0.000) 12.821 8.184 ( 0.000 -13.987 0.000) 13.987 8.526 ( 0.000 -19.336 0.000) 19.336 8.684 ( 0.000 8.928 0.000) 8.928 9.090 ( 0.000 -8.886 0.000) 8.886 9.201 ( 0.000 2.617 0.000) 2.617 9.232 ( 0.000 0.265 0.000) 0.265 9.636 ( 0.000 3.565 0.000) 3.565 9.870 ( 0.000 -8.640 0.000) 8.640 9.982 ( 0.000 -0.308 0.000) 0.308 10.031 ( 0.000 -0.262 0.000) 0.262 10.589 ( 0.000 14.887 0.000) 14.887 10.986 ( 0.000 6.724 0.000) 6.724 11.233 ( 0.000 -3.659 0.000) 3.659 11.243 ( 0.000 -12.267 0.000) 12.267 11.746 ( 0.000 12.141 0.000) 12.141 11.888 ( 0.000 14.220 0.000) 14.220 12.374 ( 0.000 -17.935 0.000) 17.935 12.594 ( 0.000 -16.529 0.000) 16.529 13.065 ( 0.000 11.336 0.000) 11.336 13.090 ( 0.000 -1.280 0.000) 1.280 13.156 ( 0.000 -4.507 0.000) 4.507 13.390 ( 0.000 -0.765 0.000) 0.765 13.804 ( 0.000 -1.773 0.000) 1.773 13.854 ( 0.000 -2.313 0.000) 2.313 14.177 ( 0.000 7.469 0.000) 7.469 14.499 ( 0.000 -7.120 0.000) 7.120 14.554 ( 0.000 23.338 0.000) 23.338 14.905 ( 0.000 1.849 0.000) 1.849 15.021 ( 0.000 5.589 0.000) 5.589 15.097 ( 0.000 2.186 0.000) 2.186 15.206 ( 0.000 2.378 0.000) 2.378 15.827 ( 0.000 -3.671 0.000) 3.671 15.853 ( 0.000 -22.124 0.000) 22.124 15.876 ( 0.000 -5.739 0.000) 5.739 18.379 ( 0.000 13.765 0.000) 13.765 18.869 ( 0.000 -8.354 0.000) 8.354 19.646 ( 0.000 0.008 0.000) 0.008 19.683 ( 0.000 -1.597 0.000) 1.597 ======================= Grid point 19 (12/100) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 5.663 30.815 0.000) 31.331 1.853 ( 5.554 31.584 0.000) 32.069 2.692 ( -2.268 -8.502 0.000) 8.800 2.790 ( -0.249 -12.367 0.000) 12.369 2.997 ( 30.040 15.714 0.000) 33.902 3.574 ( 1.899 -22.234 0.000) 22.315 3.888 ( -6.840 8.172 0.000) 10.657 4.115 ( 5.244 10.942 0.000) 12.134 4.126 ( -5.089 0.352 0.000) 5.101 4.624 ( 3.681 14.430 0.000) 14.892 4.717 ( 5.382 5.817 0.000) 7.925 4.915 ( 5.156 -1.303 0.000) 5.318 5.298 ( 2.300 -15.348 0.000) 15.519 5.344 ( -19.836 25.606 0.000) 32.390 5.504 ( -1.271 -17.935 0.000) 17.980 5.951 ( -18.163 1.643 0.000) 18.237 6.556 ( 9.925 1.630 0.000) 10.058 6.965 ( 2.170 0.331 0.000) 2.195 7.080 ( 12.333 -11.441 0.000) 16.823 7.368 ( 2.524 31.471 0.000) 31.573 7.514 ( -1.439 -16.735 0.000) 16.797 7.699 ( 8.380 12.465 0.000) 15.020 8.227 ( 3.864 -11.914 0.000) 12.525 8.494 ( -3.659 -16.191 0.000) 16.599 8.725 ( 4.216 8.779 0.000) 9.739 9.083 ( -8.853 2.892 0.000) 9.314 9.096 ( 1.550 -6.479 0.000) 6.661 9.190 ( -5.554 -1.400 0.000) 5.728 9.695 ( 5.846 8.954 0.000) 10.693 10.024 ( 4.271 -1.262 0.000) 4.454 10.060 ( 2.064 -1.941 0.000) 2.834 10.077 ( 17.019 -10.999 0.000) 20.264 10.620 ( 2.820 14.134 0.000) 14.412 10.904 ( -6.993 6.008 0.000) 9.219 11.203 ( -4.014 -6.180 0.000) 7.370 11.222 ( -2.313 -11.741 0.000) 11.967 11.743 ( -0.300 12.449 0.000) 12.453 11.844 ( -4.347 13.538 0.000) 14.219 12.331 ( -4.005 -13.855 0.000) 14.422 12.523 ( -6.261 -15.705 0.000) 16.907 12.963 ( -9.911 1.986 0.000) 10.108 13.007 ( -5.949 11.499 0.000) 12.947 13.150 ( -2.191 -7.100 0.000) 7.430 13.392 ( -0.069 -2.972 0.000) 2.973 13.754 ( -4.446 -0.028 0.000) 4.446 13.870 ( 1.535 -2.669 0.000) 3.079 14.165 ( -1.380 6.686 0.000) 6.827 14.363 ( -8.057 3.259 0.000) 8.691 14.697 ( 8.620 11.060 0.000) 14.023 14.909 ( 1.205 4.278 0.000) 4.445 15.051 ( 2.164 4.766 0.000) 5.234 15.102 ( 0.840 3.402 0.000) 3.504 15.217 ( 1.424 2.451 0.000) 2.835 15.764 ( -4.131 -2.172 0.000) 4.667 15.828 ( -1.133 -19.435 0.000) 19.468 15.928 ( 3.170 -7.555 0.000) 8.194 18.457 ( 8.037 15.048 0.000) 17.059 19.180 ( 24.403 -22.073 0.000) 32.904 19.672 ( 2.432 -0.445 0.000) 2.473 19.688 ( 0.321 -1.134 0.000) 1.178 ======================= Grid point 20 (13/100) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 7.185 19.311 0.000) 20.604 2.087 ( 16.842 13.790 0.000) 21.767 2.552 ( -9.005 -12.577 0.000) 15.468 2.802 ( 1.736 -15.424 0.000) 15.522 3.539 ( 0.503 -8.658 0.000) 8.673 3.568 ( 14.698 -10.713 0.000) 18.188 3.732 ( -8.258 8.723 0.000) 12.011 4.016 ( -5.355 0.262 0.000) 5.362 4.339 ( 16.579 25.921 0.000) 30.769 4.647 ( -2.339 5.512 0.000) 5.988 4.773 ( -3.814 11.154 0.000) 11.788 5.046 ( 0.365 6.370 0.000) 6.381 5.134 ( 0.482 29.929 0.000) 29.932 5.163 ( -4.264 -12.597 0.000) 13.299 5.694 ( 16.333 -14.664 0.000) 21.950 5.784 ( 5.835 -0.373 0.000) 5.847 6.607 ( -0.892 3.441 0.000) 3.555 7.005 ( 1.069 -12.005 0.000) 12.053 7.324 ( 12.410 -5.623 0.000) 13.624 7.423 ( 2.165 30.214 0.000) 30.291 7.560 ( 6.244 -15.600 0.000) 16.803 7.886 ( 7.348 11.119 0.000) 13.327 8.313 ( 4.756 -4.655 0.000) 6.655 8.391 ( -4.422 -5.895 0.000) 7.369 8.838 ( 6.706 7.614 0.000) 10.146 8.927 ( -6.892 -2.383 0.000) 7.293 9.030 ( -9.829 -4.230 0.000) 10.701 9.146 ( 2.771 -4.425 0.000) 5.221 9.824 ( 6.343 16.834 0.000) 17.989 10.076 ( -0.624 -1.995 0.000) 2.091 10.147 ( 7.663 -4.299 0.000) 8.787 10.421 ( 16.687 -10.357 0.000) 19.640 10.666 ( 0.760 10.588 0.000) 10.615 10.744 ( -9.426 3.081 0.000) 9.917 11.078 ( -7.740 -10.209 0.000) 12.811 11.144 ( -5.654 -11.134 0.000) 12.488 11.724 ( -1.976 12.916 0.000) 13.066 11.735 ( -5.982 13.593 0.000) 14.852 12.249 ( -3.246 -4.817 0.000) 5.809 12.407 ( -4.150 -14.634 0.000) 15.211 12.768 ( -9.270 -0.079 0.000) 9.271 12.848 ( -9.773 11.105 0.000) 14.793 13.063 ( -6.436 -9.133 0.000) 11.172 13.326 ( -8.476 -9.914 0.000) 13.043 13.701 ( 1.050 6.265 0.000) 6.352 13.911 ( 2.530 -2.214 0.000) 3.362 14.123 ( -2.758 6.082 0.000) 6.679 14.225 ( -5.769 3.512 0.000) 6.754 14.817 ( 2.996 5.158 0.000) 5.965 14.980 ( 5.218 3.023 0.000) 6.031 15.041 ( -2.746 4.276 0.000) 5.082 15.155 ( 3.121 2.141 0.000) 3.785 15.289 ( 6.948 4.794 0.000) 8.441 15.700 ( -1.766 0.351 0.000) 1.800 15.831 ( 1.053 -15.594 0.000) 15.629 15.980 ( 1.871 -8.967 0.000) 9.160 18.675 ( 13.659 16.209 0.000) 21.197 19.596 ( 16.131 -28.684 0.000) 32.908 19.681 ( -1.270 0.331 0.000) 1.312 19.736 ( 3.740 -2.024 0.000) 4.253 ======================= Grid point 21 (14/100) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 5.516 9.688 0.000) 11.148 2.340 ( -6.792 -3.342 0.000) 7.570 2.469 ( 15.298 -7.058 0.000) 16.848 2.855 ( 3.223 -19.974 0.000) 20.233 3.517 ( 0.859 -1.199 0.000) 1.475 3.599 ( -4.687 10.968 0.000) 11.928 3.745 ( 4.321 -14.217 0.000) 14.859 3.938 ( -2.597 -1.809 0.000) 3.165 4.442 ( -5.328 14.167 0.000) 15.135 4.531 ( -8.918 0.526 0.000) 8.933 4.616 ( -10.740 7.259 0.000) 12.963 4.776 ( -16.413 -4.458 0.000) 17.008 5.355 ( 12.818 11.466 0.000) 17.198 5.398 ( 20.625 32.169 0.000) 38.213 6.035 ( 17.322 -15.545 0.000) 23.274 6.103 ( 19.184 2.547 0.000) 19.352 6.710 ( 15.820 6.339 0.000) 17.043 7.014 ( 1.592 -9.165 0.000) 9.302 7.395 ( -6.638 24.997 0.000) 25.863 7.496 ( 4.793 -2.616 0.000) 5.460 7.791 ( 16.805 -13.635 0.000) 21.641 7.850 ( -8.516 9.806 0.000) 12.987 8.377 ( 1.361 1.916 0.000) 2.350 8.485 ( 10.052 5.776 0.000) 11.593 8.687 ( -17.287 -2.243 0.000) 17.432 8.943 ( 2.043 -11.695 0.000) 11.872 8.949 ( 3.587 4.466 0.000) 5.728 9.179 ( 0.405 -2.940 0.000) 2.968 9.925 ( 3.917 19.149 0.000) 19.545 10.021 ( -4.753 3.293 0.000) 5.782 10.317 ( 9.492 -8.310 0.000) 12.615 10.517 ( -11.389 5.165 0.000) 12.505 10.618 ( -5.717 5.057 0.000) 7.632 10.706 ( 9.822 -10.987 0.000) 14.737 10.932 ( -7.095 -16.687 0.000) 18.133 11.022 ( -6.002 -12.703 0.000) 14.049 11.656 ( -1.324 16.636 0.000) 16.688 11.680 ( -1.435 15.703 0.000) 15.768 12.232 ( 1.344 2.434 0.000) 2.780 12.392 ( 2.459 -14.656 0.000) 14.861 12.620 ( -5.316 -6.200 0.000) 8.167 12.642 ( -10.882 9.690 0.000) 14.571 12.912 ( -8.549 -9.542 0.000) 12.812 13.089 ( -13.992 -10.256 0.000) 17.349 13.781 ( 5.851 6.682 0.000) 8.881 13.964 ( 2.789 -0.937 0.000) 2.942 14.068 ( -2.764 5.760 0.000) 6.389 14.130 ( -4.295 2.406 0.000) 4.923 14.847 ( 0.823 4.307 0.000) 4.385 14.972 ( -3.832 4.754 0.000) 6.107 15.055 ( 2.534 -2.691 0.000) 3.696 15.179 ( -0.767 -2.414 0.000) 2.533 15.491 ( 12.545 4.689 0.000) 13.393 15.709 ( 2.555 2.302 0.000) 3.439 15.848 ( 0.315 -10.312 0.000) 10.317 15.986 ( -1.592 -7.907 0.000) 8.066 18.964 ( 15.311 14.792 0.000) 21.289 19.623 ( -4.948 2.909 0.000) 5.740 19.808 ( 6.433 -23.789 0.000) 24.644 19.809 ( 3.473 -5.127 0.000) 6.192 ======================= Grid point 22 (15/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 5.506 4.851 0.000) 7.338 2.170 ( -8.035 0.838 0.000) 8.078 2.764 ( 11.546 -18.434 0.000) 21.752 2.887 ( -1.303 -23.675 0.000) 23.711 3.554 ( 1.616 6.673 0.000) 6.865 3.558 ( 0.071 12.215 0.000) 12.215 3.811 ( 3.572 -7.101 0.000) 7.948 3.891 ( -3.324 -3.953 0.000) 5.164 4.365 ( -0.290 2.852 0.000) 2.867 4.367 ( -4.905 0.580 0.000) 4.939 4.420 ( -6.822 3.960 0.000) 7.888 4.502 ( -10.949 -1.193 0.000) 11.014 5.573 ( 8.500 17.510 0.000) 19.464 5.643 ( 3.005 23.806 0.000) 23.995 6.322 ( 10.523 -15.321 0.000) 18.587 6.367 ( 6.992 -5.244 0.000) 8.740 6.963 ( 5.763 6.837 0.000) 8.942 7.168 ( -14.122 19.910 0.000) 24.410 7.384 ( 36.181 2.286 0.000) 36.253 7.586 ( 6.251 5.799 0.000) 8.527 7.690 ( -7.223 6.056 0.000) 9.426 8.122 ( 15.323 -6.801 0.000) 16.765 8.123 ( -32.867 5.507 0.000) 33.325 8.345 ( -7.007 1.994 0.000) 7.285 8.766 ( 11.391 0.115 0.000) 11.391 8.938 ( -5.231 1.127 0.000) 5.351 9.060 ( 7.801 -8.062 0.000) 11.218 9.163 ( -2.371 -3.696 0.000) 4.391 9.938 ( -1.892 11.054 0.000) 11.214 9.957 ( -1.363 16.214 0.000) 16.271 10.360 ( -1.363 4.117 0.000) 4.336 10.453 ( -6.453 -2.981 0.000) 7.108 10.527 ( 8.420 -5.891 0.000) 10.276 10.723 ( -8.894 -11.628 0.000) 14.640 10.882 ( 2.962 -16.986 0.000) 17.242 10.935 ( -2.889 -14.970 0.000) 15.246 11.671 ( 1.755 18.901 0.000) 18.983 11.683 ( 0.740 18.323 0.000) 18.338 12.288 ( 4.449 6.476 0.000) 7.857 12.415 ( -7.054 1.881 0.000) 7.301 12.509 ( 3.899 -8.980 0.000) 9.790 12.576 ( -0.360 -13.746 0.000) 13.750 12.763 ( -4.715 -7.494 0.000) 8.854 12.836 ( -10.607 -8.590 0.000) 13.649 13.900 ( 5.970 5.565 0.000) 8.161 14.003 ( -4.328 5.248 0.000) 6.802 14.014 ( 2.303 0.482 0.000) 2.353 14.059 ( -2.686 1.547 0.000) 3.100 14.865 ( 1.305 4.480 0.000) 4.667 14.905 ( -2.822 4.718 0.000) 5.498 15.098 ( 2.130 -4.490 0.000) 4.969 15.143 ( -2.403 -4.511 0.000) 5.111 15.730 ( 11.002 0.133 0.000) 11.003 15.775 ( 3.527 0.361 0.000) 3.545 15.834 ( -1.779 -4.428 0.000) 4.771 15.908 ( -6.518 -4.563 0.000) 7.957 19.251 ( 13.622 11.034 0.000) 17.530 19.481 ( -9.641 6.637 0.000) 11.705 19.863 ( 1.933 -10.031 0.000) 10.216 19.875 ( 0.991 -16.551 0.000) 16.580 ======================= Grid point 27 (16/100) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 0.000 -29.920 0.000) 29.920 2.331 ( 0.000 29.920 0.000) 29.920 2.564 ( 0.000 -20.085 0.000) 20.085 2.564 ( 0.000 20.085 0.000) 20.085 2.918 ( 0.000 -17.088 0.000) 17.088 2.918 ( 0.000 17.088 0.000) 17.088 4.139 ( 0.000 -5.802 0.000) 5.802 4.139 ( 0.000 5.802 0.000) 5.802 4.461 ( 0.000 -20.723 0.000) 20.723 4.461 ( 0.000 20.723 0.000) 20.723 4.867 ( 0.000 -1.552 0.000) 1.552 4.867 ( 0.000 1.552 0.000) 1.552 5.119 ( 0.000 -14.501 0.000) 14.501 5.119 ( 0.000 14.501 0.000) 14.501 5.991 ( 0.000 -14.994 0.000) 14.994 5.991 ( 0.000 14.994 0.000) 14.994 6.655 ( 0.000 -14.357 0.000) 14.357 6.655 ( 0.000 14.357 0.000) 14.357 7.164 ( 0.000 -16.625 0.000) 16.625 7.164 ( 0.000 16.625 0.000) 16.625 7.885 ( 0.000 -14.550 0.000) 14.550 7.885 ( 0.000 14.550 0.000) 14.550 8.010 ( 0.000 -28.288 0.000) 28.288 8.010 ( 0.000 28.288 0.000) 28.288 8.888 ( 0.000 -9.952 0.000) 9.952 8.888 ( 0.000 9.952 0.000) 9.952 9.232 ( 0.000 -0.512 0.000) 0.512 9.232 ( 0.000 0.512 0.000) 0.512 9.723 ( 0.000 -5.169 0.000) 5.169 9.723 ( 0.000 5.169 0.000) 5.169 9.998 ( 0.000 -1.704 0.000) 1.704 9.998 ( 0.000 1.704 0.000) 1.704 10.936 ( 0.000 -16.303 0.000) 16.303 10.936 ( 0.000 16.303 0.000) 16.303 11.128 ( 0.000 -6.205 0.000) 6.205 11.128 ( 0.000 6.205 0.000) 6.205 12.029 ( 0.000 -14.707 0.000) 14.707 12.029 ( 0.000 14.707 0.000) 14.707 12.229 ( 0.000 -17.355 0.000) 17.355 12.229 ( 0.000 17.355 0.000) 17.355 13.090 ( 0.000 -1.553 0.000) 1.553 13.090 ( 0.000 1.553 0.000) 1.553 13.286 ( 0.000 -8.577 0.000) 8.577 13.286 ( 0.000 8.577 0.000) 8.577 13.807 ( 0.000 -1.733 0.000) 1.733 13.807 ( 0.000 1.733 0.000) 1.733 14.341 ( 0.000 -7.753 0.000) 7.753 14.341 ( 0.000 7.753 0.000) 7.753 14.885 ( 0.000 -6.045 0.000) 6.045 14.885 ( 0.000 6.045 0.000) 6.045 15.107 ( 0.000 -1.851 0.000) 1.851 15.107 ( 0.000 1.851 0.000) 1.851 15.402 ( 0.000 -17.835 0.000) 17.835 15.402 ( 0.000 17.835 0.000) 17.835 15.793 ( 0.000 -1.213 0.000) 1.213 15.793 ( 0.000 1.213 0.000) 1.213 18.654 ( 0.000 -11.822 0.000) 11.822 18.654 ( 0.000 11.822 0.000) 11.822 19.656 ( 0.000 -0.915 0.000) 0.915 19.656 ( 0.000 0.915 0.000) 0.915 ======================= Grid point 29 (17/100) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -0.539 -28.623 0.000) 28.629 2.324 ( -0.539 28.623 0.000) 28.629 2.420 ( -7.280 -19.432 0.000) 20.751 2.420 ( -7.280 19.432 0.000) 20.751 3.185 ( 16.798 -11.056 0.000) 20.110 3.185 ( 16.798 11.056 0.000) 20.110 4.075 ( -6.010 -7.146 0.000) 9.337 4.075 ( -6.010 7.146 0.000) 9.337 4.560 ( 11.040 -19.991 0.000) 22.837 4.560 ( 11.040 19.991 0.000) 22.837 4.909 ( 1.398 -11.034 0.000) 11.123 4.909 ( 1.398 11.034 0.000) 11.123 5.143 ( 4.687 -12.867 0.000) 13.694 5.143 ( 4.687 12.867 0.000) 13.694 5.776 ( -15.551 -15.666 0.000) 22.074 5.776 ( -15.551 15.666 0.000) 22.074 6.754 ( 4.085 -13.782 0.000) 14.375 6.754 ( 4.085 13.782 0.000) 14.375 7.168 ( 2.791 -13.968 0.000) 14.244 7.168 ( 2.791 13.968 0.000) 14.244 7.958 ( 5.961 -12.801 0.000) 14.121 7.958 ( 5.961 12.801 0.000) 14.121 8.025 ( 2.414 -25.151 0.000) 25.266 8.025 ( 2.414 25.151 0.000) 25.266 8.920 ( 3.388 -9.297 0.000) 9.895 8.920 ( 3.388 9.297 0.000) 9.895 9.146 ( -8.174 -2.700 0.000) 8.608 9.146 ( -8.174 2.700 0.000) 8.608 9.875 ( 13.561 -8.498 0.000) 16.004 9.875 ( 13.561 8.498 0.000) 16.004 10.021 ( 2.181 -1.094 0.000) 2.440 10.021 ( 2.181 1.094 0.000) 2.440 10.937 ( -0.282 -14.821 0.000) 14.824 10.937 ( -0.282 14.821 0.000) 14.824 11.056 ( -7.075 -7.547 0.000) 10.345 11.056 ( -7.075 7.547 0.000) 10.345 12.025 ( -0.467 -14.180 0.000) 14.188 12.025 ( -0.467 14.180 0.000) 14.188 12.173 ( -5.195 -16.800 0.000) 17.585 12.173 ( -5.195 16.800 0.000) 17.585 13.029 ( -5.932 -4.313 0.000) 7.334 13.029 ( -5.932 4.313 0.000) 7.334 13.243 ( -4.738 -10.018 0.000) 11.082 13.243 ( -4.738 10.018 0.000) 11.082 13.801 ( 0.042 -3.480 0.000) 3.481 13.801 ( 0.042 3.480 0.000) 3.481 14.303 ( -3.484 -5.856 0.000) 6.814 14.303 ( -3.484 5.856 0.000) 6.814 14.909 ( 1.986 -5.272 0.000) 5.633 14.909 ( 1.986 5.272 0.000) 5.633 15.126 ( 1.361 -1.636 0.000) 2.128 15.126 ( 1.361 1.636 0.000) 2.128 15.420 ( 2.299 -16.944 0.000) 17.100 15.420 ( 2.299 16.944 0.000) 17.100 15.787 ( -0.381 -4.645 0.000) 4.661 15.787 ( -0.381 4.645 0.000) 4.661 18.789 ( 12.462 -16.425 0.000) 20.618 18.789 ( 12.462 16.425 0.000) 20.618 19.671 ( 1.375 -0.405 0.000) 1.433 19.671 ( 1.375 0.405 0.000) 1.433 ======================= Grid point 31 (18/100) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.071 -26.336 0.000) 26.336 2.318 ( 0.071 26.336 0.000) 26.336 2.342 ( -1.118 -9.691 0.000) 9.755 2.342 ( -1.118 9.691 0.000) 9.755 3.413 ( 7.153 -0.157 0.000) 7.154 3.413 ( 7.153 0.157 0.000) 7.154 3.939 ( -6.984 -8.296 0.000) 10.844 3.939 ( -6.984 8.296 0.000) 10.844 4.792 ( 4.586 -11.375 0.000) 12.265 4.792 ( 4.586 11.375 0.000) 12.265 4.834 ( -8.187 -12.529 0.000) 14.967 4.834 ( -8.187 12.529 0.000) 14.967 5.355 ( 15.357 -16.273 0.000) 22.375 5.355 ( 15.357 16.273 0.000) 22.375 5.626 ( 6.744 -15.450 0.000) 16.858 5.626 ( 6.744 15.450 0.000) 16.858 6.764 ( -0.111 -10.145 0.000) 10.145 6.764 ( -0.111 10.145 0.000) 10.145 7.300 ( 9.315 -6.195 0.000) 11.187 7.300 ( 9.315 6.195 0.000) 11.187 7.964 ( -4.091 -14.427 0.000) 14.996 7.964 ( -4.091 14.427 0.000) 14.996 8.217 ( 14.667 -3.802 0.000) 15.151 8.217 ( 14.667 3.802 0.000) 15.151 8.943 ( -12.029 -3.449 0.000) 12.514 8.943 ( -12.029 3.449 0.000) 12.514 9.007 ( 4.795 -7.847 0.000) 9.196 9.007 ( 4.795 7.847 0.000) 9.196 10.074 ( 3.131 -1.971 0.000) 3.700 10.074 ( 3.131 1.971 0.000) 3.700 10.162 ( 13.967 -14.189 0.000) 19.910 10.162 ( 13.967 14.189 0.000) 19.910 10.873 ( -11.017 -8.510 0.000) 13.921 10.873 ( -11.017 8.510 0.000) 13.921 10.900 ( -4.168 -11.477 0.000) 12.211 10.900 ( -4.168 11.477 0.000) 12.211 12.014 ( -0.333 -13.952 0.000) 13.956 12.014 ( -0.333 13.952 0.000) 13.956 12.067 ( -4.359 -16.808 0.000) 17.364 12.067 ( -4.359 16.808 0.000) 17.364 12.879 ( -8.823 -8.017 0.000) 11.921 12.879 ( -8.823 8.017 0.000) 11.921 13.094 ( -10.322 -11.650 0.000) 15.565 13.094 ( -10.322 11.650 0.000) 15.565 13.830 ( 2.918 -5.299 0.000) 6.049 13.830 ( 2.918 5.299 0.000) 6.049 14.224 ( -4.252 -3.105 0.000) 5.265 14.224 ( -4.252 3.105 0.000) 5.265 14.943 ( 1.211 -5.291 0.000) 5.428 14.943 ( 1.211 5.291 0.000) 5.428 15.133 ( -1.097 -3.680 0.000) 3.840 15.133 ( -1.097 3.680 0.000) 3.840 15.504 ( 6.137 -14.198 0.000) 15.467 15.504 ( 6.137 14.198 0.000) 15.467 15.792 ( 1.041 -7.787 0.000) 7.856 15.792 ( 1.041 7.787 0.000) 7.856 19.070 ( 14.873 -21.353 0.000) 26.022 19.070 ( 14.873 21.353 0.000) 26.022 19.699 ( 1.154 -1.361 0.000) 1.784 19.699 ( 1.154 1.361 0.000) 1.784 ======================= Grid point 33 (19/100) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 0.982 -24.966 0.000) 24.986 2.329 ( 0.982 24.966 0.000) 24.986 2.350 ( 1.174 -4.404 0.000) 4.557 2.350 ( 1.174 4.404 0.000) 4.557 3.533 ( 6.397 -4.556 0.000) 7.853 3.533 ( 6.397 4.556 0.000) 7.853 3.829 ( -3.911 -8.703 0.000) 9.541 3.829 ( -3.911 8.703 0.000) 9.541 4.632 ( -11.491 -7.626 0.000) 13.791 4.632 ( -11.491 7.626 0.000) 13.791 4.658 ( -12.759 -4.446 0.000) 13.511 4.658 ( -12.759 4.446 0.000) 13.511 5.677 ( 16.385 -17.375 0.000) 23.883 5.677 ( 16.385 17.375 0.000) 23.883 5.958 ( 17.064 -17.958 0.000) 24.772 5.958 ( 17.064 17.958 0.000) 24.772 6.862 ( 12.290 -6.677 0.000) 13.986 6.862 ( 12.290 6.677 0.000) 13.986 7.517 ( 13.609 -8.667 0.000) 16.134 7.517 ( 13.609 8.667 0.000) 16.134 7.818 ( -10.681 -12.737 0.000) 16.623 7.818 ( -10.681 12.737 0.000) 16.623 8.518 ( 11.901 -7.495 0.000) 14.064 8.518 ( 11.901 7.495 0.000) 14.064 8.697 ( -10.197 -8.267 0.000) 13.127 8.697 ( -10.197 8.267 0.000) 13.127 9.077 ( 1.673 -6.268 0.000) 6.488 9.077 ( 1.673 6.268 0.000) 6.488 10.138 ( 3.300 -7.630 0.000) 8.313 10.138 ( 3.300 7.630 0.000) 8.313 10.363 ( 4.946 -20.439 0.000) 21.029 10.363 ( 4.946 20.439 0.000) 21.029 10.662 ( -8.883 -8.563 0.000) 12.338 10.662 ( -8.883 8.563 0.000) 12.338 10.774 ( -7.823 -9.844 0.000) 12.574 10.774 ( -7.823 9.844 0.000) 12.574 12.028 ( 2.134 -16.144 0.000) 16.285 12.028 ( 2.134 16.144 0.000) 16.285 12.036 ( 1.307 -18.288 0.000) 18.335 12.036 ( 1.307 18.288 0.000) 18.335 12.706 ( -8.277 -9.464 0.000) 12.573 12.706 ( -8.277 9.464 0.000) 12.573 12.864 ( -12.474 -10.842 0.000) 16.528 12.864 ( -12.474 10.842 0.000) 16.528 13.905 ( 4.430 -4.605 0.000) 6.390 13.905 ( 4.430 4.605 0.000) 6.390 14.144 ( -3.898 -1.479 0.000) 4.169 14.144 ( -3.898 1.479 0.000) 4.169 14.960 ( 0.778 -5.704 0.000) 5.756 14.960 ( 0.778 5.704 0.000) 5.756 15.086 ( -3.224 -5.592 0.000) 6.455 15.086 ( -3.224 5.592 0.000) 6.455 15.639 ( 7.025 -8.898 0.000) 11.337 15.639 ( 7.025 8.898 0.000) 11.337 15.818 ( 1.126 -7.327 0.000) 7.413 15.818 ( 1.126 7.327 0.000) 7.413 19.336 ( 11.936 -20.242 0.000) 23.499 19.336 ( 11.936 20.242 0.000) 23.499 19.703 ( -0.980 -4.570 0.000) 4.674 19.703 ( -0.980 4.570 0.000) 4.674 ======================= Grid point 35 (20/100) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 1.188 -22.880 0.000) 22.911 2.352 ( 1.188 22.880 0.000) 22.911 2.365 ( 0.056 -16.439 0.000) 16.439 2.365 ( 0.056 16.439 0.000) 16.439 3.672 ( 7.105 -5.513 0.000) 8.993 3.672 ( 7.105 5.513 0.000) 8.993 3.772 ( -3.034 -7.506 0.000) 8.095 3.772 ( -3.034 7.506 0.000) 8.095 4.439 ( -6.421 -4.582 0.000) 7.889 4.439 ( -6.421 4.582 0.000) 7.889 4.443 ( -6.981 -2.291 0.000) 7.347 4.443 ( -6.981 2.291 0.000) 7.347 5.959 ( 11.685 -18.380 0.000) 21.780 5.959 ( 11.685 18.380 0.000) 21.780 6.100 ( -1.640 -18.324 0.000) 18.397 6.100 ( -1.640 18.324 0.000) 18.397 7.211 ( 19.858 -13.737 0.000) 24.146 7.211 ( 19.858 13.737 0.000) 24.146 7.559 ( -15.592 -15.014 0.000) 21.646 7.559 ( -15.592 15.014 0.000) 21.646 7.861 ( 21.523 -16.329 0.000) 27.017 7.861 ( 21.523 16.329 0.000) 27.017 8.297 ( -21.034 -8.297 0.000) 22.611 8.297 ( -21.034 8.297 0.000) 22.611 8.869 ( 13.043 -9.235 0.000) 15.982 8.869 ( 13.043 9.235 0.000) 15.982 9.049 ( -5.056 -6.885 0.000) 8.542 9.049 ( -5.056 6.885 0.000) 8.542 10.205 ( 4.043 -13.527 0.000) 14.118 10.205 ( 4.043 13.527 0.000) 14.118 10.316 ( -6.856 -15.011 0.000) 16.502 10.316 ( -6.856 15.011 0.000) 16.502 10.597 ( 0.854 -7.228 0.000) 7.278 10.597 ( 0.854 7.228 0.000) 7.278 10.645 ( -4.459 -11.023 0.000) 11.890 10.645 ( -4.459 11.023 0.000) 11.890 12.089 ( 2.888 -18.955 0.000) 19.173 12.089 ( 2.888 18.955 0.000) 19.173 12.089 ( 2.717 -19.735 0.000) 19.922 12.089 ( 2.717 19.735 0.000) 19.922 12.586 ( -2.747 -8.702 0.000) 9.125 12.586 ( -2.747 8.702 0.000) 9.125 12.645 ( -8.523 -9.320 0.000) 12.629 12.645 ( -8.523 9.320 0.000) 12.629 13.991 ( 4.254 -2.790 0.000) 5.087 13.991 ( 4.254 2.790 0.000) 5.087 14.069 ( -3.797 -1.026 0.000) 3.933 14.069 ( -3.797 1.026 0.000) 3.933 14.981 ( 1.545 -6.045 0.000) 6.240 14.981 ( 1.545 6.045 0.000) 6.240 15.024 ( -2.852 -6.161 0.000) 6.789 15.024 ( -2.852 6.161 0.000) 6.789 15.758 ( 4.789 -2.533 0.000) 5.417 15.758 ( 4.789 2.533 0.000) 5.417 15.818 ( -1.401 -3.505 0.000) 3.774 15.818 ( -1.401 3.505 0.000) 3.774 19.531 ( 8.095 -15.213 0.000) 17.233 19.531 ( 8.095 15.213 0.000) 17.233 19.652 ( -4.322 -9.387 0.000) 10.334 19.652 ( -4.322 9.387 0.000) 10.334 ======================= Grid point 63 (21/100) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 0.000 37.810) 37.810 0.824 ( 0.000 0.000 38.938) 38.938 1.581 ( 0.000 0.000 75.283) 75.283 2.789 ( 0.000 0.000 6.221) 6.221 3.287 ( 0.000 0.000 -9.257) 9.257 3.582 ( 0.000 0.000 3.347) 3.347 3.836 ( 0.000 0.000 -10.885) 10.885 3.865 ( 0.000 0.000 7.736) 7.736 4.146 ( 0.000 0.000 -4.224) 4.224 4.242 ( 0.000 0.000 -20.783) 20.783 4.249 ( 0.000 0.000 -6.768) 6.768 4.572 ( 0.000 0.000 -0.694) 0.694 5.086 ( 0.000 0.000 3.278) 3.278 5.821 ( 0.000 0.000 9.014) 9.014 6.143 ( 0.000 0.000 -5.973) 5.973 6.236 ( 0.000 0.000 -19.563) 19.563 6.415 ( 0.000 0.000 -1.434) 1.434 6.666 ( 0.000 0.000 -3.276) 3.276 6.681 ( 0.000 0.000 -4.505) 4.505 7.394 ( 0.000 0.000 13.421) 13.421 7.779 ( 0.000 0.000 32.957) 32.957 7.798 ( 0.000 0.000 -17.062) 17.062 8.218 ( 0.000 0.000 -8.877) 8.877 8.494 ( 0.000 0.000 2.098) 2.098 8.872 ( 0.000 0.000 -4.768) 4.768 8.996 ( 0.000 0.000 -7.395) 7.395 9.097 ( 0.000 0.000 -7.916) 7.916 9.235 ( 0.000 0.000 0.537) 0.537 9.876 ( 0.000 0.000 13.713) 13.713 9.900 ( 0.000 0.000 5.226) 5.226 10.244 ( 0.000 0.000 7.242) 7.242 10.342 ( 0.000 0.000 14.094) 14.094 10.420 ( 0.000 0.000 3.044) 3.044 10.462 ( 0.000 0.000 4.202) 4.202 11.231 ( 0.000 0.000 -11.964) 11.964 11.356 ( 0.000 0.000 -1.631) 1.631 11.414 ( 0.000 0.000 -5.533) 5.533 11.539 ( 0.000 0.000 -1.915) 1.915 12.611 ( 0.000 0.000 -11.138) 11.138 12.801 ( 0.000 0.000 4.079) 4.079 12.907 ( 0.000 0.000 -12.672) 12.672 13.012 ( 0.000 0.000 -10.724) 10.724 13.158 ( 0.000 0.000 -6.174) 6.174 13.555 ( 0.000 0.000 -2.361) 2.361 13.720 ( 0.000 0.000 0.354) 0.354 13.803 ( 0.000 0.000 -11.149) 11.149 13.889 ( 0.000 0.000 -1.192) 1.192 14.154 ( 0.000 0.000 4.422) 4.422 14.728 ( 0.000 0.000 -1.729) 1.729 14.735 ( 0.000 0.000 -1.686) 1.686 14.774 ( 0.000 0.000 -8.865) 8.865 14.930 ( 0.000 0.000 -8.016) 8.016 15.296 ( 0.000 0.000 14.045) 14.045 15.536 ( 0.000 0.000 12.237) 12.237 15.965 ( 0.000 0.000 1.729) 1.729 16.599 ( 0.000 0.000 11.809) 11.809 18.102 ( 0.000 0.000 12.686) 12.686 19.653 ( 0.000 0.000 -0.108) 0.108 19.727 ( 0.000 0.000 -0.413) 0.413 20.466 ( 0.000 0.000 -3.431) 3.431 ======================= Grid point 64 (22/100) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 29.817 0.000 22.780) 37.523 1.264 ( 29.150 0.000 30.249) 42.008 2.131 ( 51.944 0.000 48.405) 71.001 2.801 ( 0.360 0.000 3.076) 3.097 3.392 ( 8.002 0.000 -10.319) 13.058 3.587 ( -0.797 0.000 0.799) 1.129 3.717 ( -11.879 0.000 -8.520) 14.619 3.862 ( 1.773 0.000 9.502) 9.666 4.010 ( -13.550 0.000 -8.397) 15.941 4.182 ( -2.193 0.000 -6.112) 6.493 4.307 ( 6.414 0.000 -13.120) 14.604 4.593 ( 3.002 0.000 -0.990) 3.161 5.081 ( -0.976 0.000 4.296) 4.405 5.698 ( -6.952 0.000 5.344) 8.769 5.939 ( -13.953 0.000 5.913) 15.154 6.076 ( -10.051 0.000 3.846) 10.761 6.360 ( 8.353 0.000 -11.693) 14.370 6.744 ( 7.531 0.000 -8.480) 11.342 6.996 ( 7.006 0.000 -4.748) 8.463 7.373 ( -2.243 0.000 5.770) 6.190 7.768 ( -0.963 0.000 23.248) 23.268 7.792 ( 0.731 0.000 -14.304) 14.323 8.289 ( 2.823 0.000 -9.072) 9.501 8.637 ( 8.377 0.000 1.847) 8.578 8.769 ( -5.586 0.000 6.973) 8.935 8.937 ( -12.091 0.000 3.848) 12.689 9.000 ( 0.583 0.000 -7.404) 7.427 9.155 ( -5.096 0.000 -3.215) 6.025 9.618 ( -0.403 0.000 12.665) 12.671 9.957 ( 4.832 0.000 -4.195) 6.399 10.276 ( -1.381 0.000 9.875) 9.971 10.420 ( -1.193 0.000 8.546) 8.629 10.548 ( 7.683 0.000 6.155) 9.844 10.788 ( 19.503 0.000 -9.527) 21.706 11.187 ( -11.179 0.000 -4.843) 12.183 11.282 ( 4.094 0.000 -14.081) 14.665 11.411 ( -0.656 0.000 -4.167) 4.218 11.654 ( 6.743 0.000 3.836) 7.758 12.241 ( -25.510 0.000 -2.418) 25.624 12.731 ( -5.996 0.000 3.023) 6.715 12.822 ( -3.074 0.000 -11.775) 12.170 13.078 ( -1.941 0.000 -5.772) 6.089 13.239 ( 7.006 0.000 -4.856) 8.525 13.529 ( -3.270 0.000 -1.553) 3.620 13.724 ( 0.489 0.000 0.094) 0.499 13.788 ( -3.449 0.000 -8.698) 9.357 13.889 ( 0.099 0.000 -1.063) 1.068 14.148 ( -0.619 0.000 4.197) 4.243 14.513 ( -0.963 0.000 -1.311) 1.627 14.737 ( 0.734 0.000 -1.791) 1.935 14.836 ( 1.634 0.000 -1.171) 2.011 14.912 ( -1.750 0.000 -7.627) 7.825 15.384 ( 3.489 0.000 13.622) 14.061 15.757 ( 8.373 0.000 -3.799) 9.194 16.052 ( 6.032 0.000 -1.509) 6.217 16.498 ( -5.179 0.000 14.857) 15.734 18.172 ( 7.092 0.000 11.664) 13.651 19.669 ( 1.956 0.000 -1.644) 2.555 19.713 ( -1.561 0.000 -1.062) 1.888 20.584 ( 4.283 0.000 -10.422) 11.268 ======================= Grid point 65 (23/100) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 31.180 0.000 6.056) 31.763 1.820 ( 28.032 0.000 23.834) 36.795 2.748 ( -7.035 0.000 -4.407) 8.301 3.260 ( 55.420 0.000 21.120) 59.307 3.400 ( -16.351 0.000 -6.156) 17.471 3.509 ( 2.561 0.000 -0.017) 2.561 3.532 ( -4.195 0.000 2.871) 5.084 3.772 ( -9.465 0.000 -13.507) 16.494 4.006 ( 11.575 0.000 6.797) 13.423 4.115 ( -4.839 0.000 -8.042) 9.386 4.486 ( 10.716 0.000 -5.958) 12.261 4.696 ( 8.822 0.000 1.700) 8.985 5.026 ( -5.031 0.000 6.603) 8.302 5.622 ( -20.658 0.000 0.559) 20.665 5.677 ( 5.715 0.000 3.222) 6.561 6.044 ( 6.980 0.000 -0.687) 7.013 6.505 ( 6.714 0.000 -5.020) 8.384 6.915 ( 8.338 0.000 -14.429) 16.665 6.984 ( -5.072 0.000 15.857) 16.648 7.311 ( -4.032 0.000 -10.809) 11.536 7.730 ( -5.139 0.000 11.024) 12.162 7.868 ( 7.051 0.000 -10.219) 12.416 8.150 ( -11.507 0.000 -10.996) 15.916 8.603 ( -7.485 0.000 7.719) 10.752 8.869 ( 12.710 0.000 13.754) 18.727 8.914 ( 2.600 0.000 -7.329) 7.776 9.023 ( 1.189 0.000 -7.704) 7.795 9.044 ( -4.434 0.000 0.880) 4.520 9.651 ( 0.239 0.000 9.385) 9.388 10.040 ( 2.825 0.000 -15.762) 16.013 10.304 ( -0.322 0.000 -2.898) 2.916 10.340 ( -2.213 0.000 10.327) 10.561 10.682 ( 3.550 0.000 8.230) 8.963 11.035 ( 8.660 0.000 -2.072) 8.904 11.038 ( -1.541 0.000 -0.346) 1.579 11.340 ( 1.217 0.000 -11.022) 11.089 11.388 ( -1.776 0.000 -1.972) 2.654 11.756 ( 4.062 0.000 8.562) 9.477 11.814 ( -17.425 0.000 -2.356) 17.583 12.596 ( -7.637 0.000 2.431) 8.015 12.741 ( -4.189 0.000 -5.891) 7.229 13.003 ( -4.563 0.000 -3.434) 5.711 13.395 ( 8.404 0.000 -3.574) 9.132 13.421 ( -7.637 0.000 0.174) 7.639 13.630 ( -11.777 0.000 -4.938) 12.771 13.739 ( 0.967 0.000 -0.570) 1.122 13.898 ( 0.959 0.000 -0.702) 1.189 14.127 ( -1.609 0.000 3.602) 3.945 14.668 ( 13.064 0.000 -11.897) 17.669 14.749 ( 0.333 0.000 -1.945) 1.974 14.866 ( -2.889 0.000 -6.629) 7.231 14.888 ( 3.609 0.000 -4.184) 5.526 15.468 ( 5.553 0.000 13.483) 14.582 15.815 ( -0.209 0.000 2.661) 2.670 16.093 ( -0.661 0.000 -2.604) 2.686 16.460 ( -0.863 0.000 14.281) 14.307 18.374 ( 13.338 0.000 8.721) 15.936 19.658 ( -4.368 0.000 -2.422) 4.995 19.734 ( 4.690 0.000 -5.172) 6.982 20.566 ( -5.005 0.000 -8.271) 9.668 ======================= Grid point 66 (24/100) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 11.360 0.000 -10.515) 15.480 2.345 ( 25.255 0.000 16.170) 29.988 2.538 ( -12.825 0.000 -9.170) 15.766 3.185 ( 0.104 0.000 4.748) 4.749 3.379 ( -9.872 0.000 5.595) 11.347 3.581 ( 3.494 0.000 2.059) 4.056 3.663 ( -1.436 0.000 -15.128) 15.196 3.994 ( -6.320 0.000 -9.412) 11.337 4.094 ( 24.155 0.000 9.295) 25.882 4.222 ( 9.716 0.000 7.001) 11.976 4.699 ( 9.678 0.000 -3.367) 10.247 4.876 ( -10.376 0.000 9.643) 14.165 5.001 ( 20.377 0.000 6.009) 21.244 5.210 ( -18.397 0.000 3.429) 18.714 5.908 ( 16.858 0.000 1.074) 16.893 6.280 ( 17.200 0.000 -8.181) 19.046 6.625 ( 5.089 0.000 -2.277) 5.576 6.920 ( 0.965 0.000 15.605) 15.634 7.014 ( 1.148 0.000 -13.110) 13.160 7.219 ( -4.808 0.000 -10.031) 11.124 7.445 ( -21.215 0.000 1.993) 21.309 8.042 ( 9.672 0.000 -8.955) 13.181 8.153 ( 11.558 0.000 -12.549) 17.061 8.444 ( -11.033 0.000 3.755) 11.655 8.715 ( -16.832 0.000 -3.069) 17.109 9.043 ( 0.841 0.000 -4.358) 4.438 9.082 ( 3.483 0.000 -6.718) 7.567 9.095 ( 5.557 0.000 -2.137) 5.954 9.615 ( -2.875 0.000 5.579) 6.276 10.056 ( -16.675 0.000 4.878) 17.373 10.101 ( 6.146 0.000 -8.102) 10.169 10.530 ( 13.608 0.000 -4.929) 14.473 10.681 ( -2.471 0.000 8.780) 9.121 11.104 ( 5.180 0.000 5.682) 7.689 11.151 ( 2.042 0.000 -2.312) 3.084 11.337 ( -3.467 0.000 5.035) 6.113 11.343 ( 0.189 0.000 -3.044) 3.050 11.563 ( -8.731 0.000 2.437) 9.065 11.848 ( 6.339 0.000 6.532) 9.102 12.431 ( -9.341 0.000 2.206) 9.598 12.698 ( 0.162 0.000 -4.650) 4.653 12.926 ( -2.906 0.000 -1.762) 3.399 13.238 ( -10.438 0.000 0.374) 10.445 13.389 ( -11.663 0.000 0.521) 11.675 13.555 ( 7.798 0.000 -2.588) 8.216 13.759 ( 0.842 0.000 -1.221) 1.484 13.926 ( 1.885 0.000 -0.223) 1.898 14.084 ( -2.857 0.000 2.679) 3.916 14.748 ( -0.347 0.000 -2.238) 2.265 14.807 ( -2.916 0.000 -5.337) 6.081 14.896 ( 7.924 0.000 -18.289) 19.932 14.970 ( 4.555 0.000 -7.512) 8.785 15.619 ( 10.410 0.000 10.899) 15.071 15.814 ( 1.286 0.000 5.183) 5.340 16.066 ( -1.948 0.000 0.534) 2.020 16.394 ( -6.510 0.000 14.444) 15.843 18.676 ( 17.028 0.000 4.532) 17.621 19.532 ( -8.694 0.000 -3.218) 9.271 19.854 ( 7.624 0.000 -8.125) 11.142 20.423 ( -9.114 0.000 -7.703) 11.933 ======================= Grid point 67 (25/100) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( -1.745 0.000 -14.730) 14.833 2.322 ( -7.619 0.000 -11.939) 14.163 2.793 ( 20.382 0.000 11.058) 23.188 3.137 ( -14.921 0.000 7.780) 16.827 3.389 ( 14.464 0.000 3.290) 14.833 3.586 ( -4.455 0.000 0.754) 4.519 3.707 ( 5.410 0.000 -14.004) 15.012 3.846 ( -7.988 0.000 -11.779) 14.232 4.402 ( 12.185 0.000 6.739) 13.924 4.407 ( 10.235 0.000 11.669) 15.522 4.639 ( -12.985 0.000 12.779) 18.218 4.656 ( -13.087 0.000 3.596) 13.572 5.117 ( 7.674 0.000 1.622) 7.844 5.232 ( 0.278 0.000 4.577) 4.585 6.287 ( 20.680 0.000 0.236) 20.681 6.623 ( -9.330 0.000 0.315) 9.335 6.686 ( 19.525 0.000 -5.569) 20.304 6.942 ( -6.262 0.000 -2.449) 6.724 6.992 ( -0.422 0.000 -9.488) 9.498 7.091 ( -11.347 0.000 -3.923) 12.006 7.313 ( 23.641 0.000 0.336) 23.643 7.946 ( -31.463 0.000 -3.106) 31.615 8.287 ( 7.794 0.000 -3.136) 8.402 8.461 ( -9.322 0.000 0.044) 9.322 8.484 ( 20.151 0.000 -19.611) 28.118 8.865 ( -16.825 0.000 -20.261) 26.336 9.153 ( 3.284 0.000 -6.261) 7.070 9.175 ( 1.803 0.000 -3.540) 3.973 9.594 ( 2.380 0.000 2.640) 3.554 9.748 ( -13.080 0.000 3.064) 13.434 10.318 ( 14.206 0.000 6.030) 15.433 10.568 ( -9.780 0.000 8.056) 12.670 10.815 ( 14.651 0.000 -6.819) 16.160 11.066 ( -9.985 0.000 -8.051) 12.827 11.189 ( 3.758 0.000 9.180) 9.920 11.263 ( -3.856 0.000 10.678) 11.353 11.382 ( 3.230 0.000 6.164) 6.959 11.449 ( -3.888 0.000 7.603) 8.539 12.016 ( 10.477 0.000 2.725) 10.826 12.231 ( -10.980 0.000 1.922) 11.147 12.748 ( 4.825 0.000 -6.229) 7.879 12.864 ( -5.292 0.000 -5.365) 7.536 13.100 ( -0.737 0.000 5.255) 5.307 13.192 ( -8.259 0.000 5.020) 9.664 13.688 ( 5.475 0.000 -1.824) 5.771 13.757 ( -1.502 0.000 -1.516) 2.135 13.968 ( 2.376 0.000 0.397) 2.409 14.022 ( -3.163 0.000 1.467) 3.486 14.743 ( 0.121 0.000 -2.891) 2.893 14.760 ( -1.692 0.000 -3.998) 4.341 14.989 ( 2.957 0.000 -15.722) 15.998 15.021 ( 0.068 0.000 -13.561) 13.561 15.848 ( 9.693 0.000 2.573) 10.029 15.869 ( 3.539 0.000 2.948) 4.606 16.035 ( 1.147 0.000 10.481) 10.544 16.209 ( -11.815 0.000 14.679) 18.843 19.014 ( 16.907 0.000 0.406) 16.912 19.315 ( -13.513 0.000 -2.377) 13.721 20.027 ( 9.838 0.000 -9.119) 13.414 20.228 ( -10.479 0.000 -8.532) 13.513 ======================= Grid point 72 (26/100) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 25.809 26.792) 37.201 1.227 ( 0.000 31.374 23.610) 39.265 2.062 ( 0.000 38.925 50.035) 63.393 2.791 ( 0.000 -3.958 -1.461) 4.219 3.294 ( 0.000 -9.120 10.820) 14.151 3.554 ( 0.000 5.064 -25.533) 26.031 3.886 ( 0.000 -2.800 0.196) 2.806 4.072 ( 0.000 -6.154 -19.828) 20.761 4.200 ( 0.000 -7.239 -2.728) 7.736 4.270 ( 0.000 7.142 -2.048) 7.430 4.288 ( 0.000 18.568 -10.187) 21.179 4.653 ( 0.000 20.696 -11.403) 23.629 5.047 ( 0.000 -3.895 4.433) 5.901 5.907 ( 0.000 -16.100 -6.148) 17.234 5.970 ( 0.000 12.575 7.158) 14.470 6.172 ( 0.000 -26.937 14.274) 30.485 6.267 ( 0.000 -7.117 -13.941) 15.653 6.487 ( 0.000 12.433 -12.556) 17.671 6.884 ( 0.000 18.241 3.586) 18.590 7.303 ( 0.000 -8.494 14.215) 16.560 7.640 ( 0.000 -10.339 -18.075) 20.823 7.784 ( 0.000 0.731 26.463) 26.473 8.543 ( 0.000 -12.745 -15.457) 20.033 8.552 ( 0.000 5.350 2.331) 5.836 8.744 ( 0.000 16.953 4.636) 17.576 8.932 ( 0.000 -6.954 -1.478) 7.110 9.144 ( 0.000 0.746 -10.985) 11.010 9.252 ( 0.000 1.545 2.587) 3.013 9.685 ( 0.000 -6.958 9.230) 11.559 9.985 ( 0.000 5.769 3.146) 6.571 10.143 ( 0.000 -8.077 7.465) 10.998 10.260 ( 0.000 -3.956 17.998) 18.428 10.458 ( 0.000 4.759 5.010) 6.910 10.764 ( 0.000 11.228 -3.962) 11.906 11.187 ( 0.000 -2.828 -10.874) 11.236 11.431 ( 0.000 -1.940 -3.325) 3.849 11.475 ( 0.000 9.212 -3.145) 9.734 11.625 ( 0.000 7.847 -1.938) 8.083 12.660 ( 0.000 -1.501 -15.671) 15.743 12.698 ( 0.000 -15.830 -10.014) 18.732 12.863 ( 0.000 4.614 -0.174) 4.617 13.022 ( 0.000 1.937 -6.521) 6.803 13.076 ( 0.000 -5.099 -8.662) 10.052 13.466 ( 0.000 -0.357 4.908) 4.921 13.786 ( 0.000 -1.535 -11.147) 11.252 13.796 ( 0.000 -6.260 -2.066) 6.592 13.963 ( 0.000 12.463 -5.843) 13.765 14.225 ( 0.000 8.790 7.822) 11.766 14.636 ( 0.000 -5.529 -0.072) 5.530 14.789 ( 0.000 2.129 -4.898) 5.341 14.814 ( 0.000 2.882 -8.321) 8.806 14.954 ( 0.000 1.785 -7.452) 7.663 15.357 ( 0.000 3.361 13.332) 13.749 15.713 ( 0.000 9.862 -2.858) 10.268 15.906 ( 0.000 -5.443 1.037) 5.541 16.462 ( 0.000 -11.592 14.756) 18.765 18.224 ( 0.000 10.390 11.335) 15.377 19.648 ( 0.000 -0.361 -0.203) 0.415 19.683 ( 0.000 -13.315 8.262) 15.670 19.781 ( 0.000 -26.413 21.915) 34.321 ======================= Grid point 73 (27/100) ======================= q-point: ( 0.11 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 22.852 18.186 20.544) 35.707 1.518 ( 18.870 21.253 28.172) 40.018 2.467 ( 37.075 28.389 26.945) 53.912 2.791 ( 0.445 -5.728 -2.211) 6.156 3.262 ( -1.425 -7.901 12.653) 14.985 3.582 ( 0.808 2.949 -18.795) 19.042 3.823 ( -7.022 -4.047 -1.528) 8.247 4.045 ( -4.337 4.570 -14.705) 15.998 4.157 ( -7.060 4.954 -5.235) 10.089 4.255 ( 4.776 7.374 -3.950) 9.633 4.350 ( 5.452 9.065 -6.345) 12.335 4.561 ( -3.949 13.757 -3.688) 14.780 5.063 ( 1.078 -1.823 5.717) 6.097 5.700 ( -11.746 -7.261 0.976) 13.844 5.867 ( -10.147 -1.274 2.374) 10.499 5.924 ( -5.213 -9.303 8.873) 13.873 6.554 ( 10.852 12.022 -17.500) 23.844 6.708 ( 13.317 -13.199 -3.394) 19.055 6.915 ( 1.367 13.580 1.831) 13.771 7.303 ( -0.016 -6.069 4.315) 7.447 7.637 ( 2.163 -9.993 -10.694) 14.795 7.829 ( 3.109 0.797 19.611) 19.872 8.378 ( -9.679 -2.962 -11.349) 15.207 8.662 ( 5.699 -0.299 5.665) 8.041 8.756 ( -2.225 6.136 7.794) 10.166 8.951 ( 2.960 -0.845 -4.527) 5.474 9.080 ( -4.958 2.058 -6.480) 8.415 9.204 ( -5.335 7.363 2.979) 9.568 9.591 ( -0.801 -1.259 7.720) 7.863 10.015 ( 2.306 3.899 -3.629) 5.804 10.248 ( -0.200 -2.516 11.374) 11.651 10.350 ( 10.748 -10.275 2.691) 15.111 10.482 ( 4.719 1.927 7.579) 9.134 10.783 ( 1.295 2.741 -1.581) 3.419 11.202 ( -1.513 -4.046 -10.923) 11.746 11.343 ( -3.617 5.033 -4.903) 7.903 11.515 ( 0.955 6.069 -2.825) 6.762 11.676 ( 3.712 4.185 4.563) 7.219 12.331 ( -23.156 4.848 -10.699) 25.965 12.670 ( -2.696 -11.825 -10.225) 15.864 12.803 ( -5.683 5.582 0.146) 7.967 12.972 ( -1.527 -7.019 -4.672) 8.569 13.241 ( 6.734 -3.156 -4.759) 8.829 13.442 ( -1.457 -0.219 2.793) 3.158 13.703 ( -6.535 -5.216 -7.194) 11.030 13.849 ( 2.126 -2.204 -4.813) 5.705 13.957 ( -0.792 11.191 -4.578) 12.117 14.227 ( -1.123 7.721 5.333) 9.451 14.559 ( 0.027 1.980 -3.271) 3.824 14.765 ( 0.644 3.119 -3.071) 4.425 14.844 ( 0.654 0.603 -6.375) 6.437 14.955 ( -0.229 3.278 -5.574) 6.470 15.401 ( 3.124 1.743 14.418) 14.855 15.775 ( 2.875 0.903 -1.840) 3.531 15.984 ( 4.524 -6.216 -1.960) 7.934 16.394 ( -3.355 -8.995 16.228) 18.855 18.287 ( 6.586 10.070 10.550) 16.003 19.660 ( 1.782 -1.067 -1.573) 2.605 19.697 ( -0.950 -1.606 -1.185) 2.210 20.037 ( 17.394 -36.193 9.224) 41.201 ======================= Grid point 74 (28/100) ======================= q-point: ( 0.22 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 15.805 9.075 20.283) 27.268 1.952 ( 29.830 7.180 15.368) 34.316 2.715 ( -5.457 -6.189 -7.942) 11.452 3.056 ( 3.314 -5.791 4.851) 8.249 3.427 ( 17.493 2.382 2.380) 17.814 3.559 ( -2.368 -1.005 -8.701) 9.074 3.721 ( 6.932 8.803 8.855) 14.281 3.933 ( -4.202 14.586 -6.090) 16.356 4.052 ( -4.347 -3.753 -9.408) 11.022 4.375 ( 7.906 22.993 0.186) 24.315 4.472 ( 5.060 1.763 -3.595) 6.452 4.600 ( 8.210 0.240 0.104) 8.214 5.066 ( -1.566 3.107 8.511) 9.195 5.473 ( -14.344 -11.540 0.608) 18.420 5.742 ( 2.851 4.208 2.391) 5.617 5.969 ( 8.729 -6.451 0.470) 10.864 6.695 ( 3.276 6.508 -6.601) 9.832 6.836 ( -0.340 3.859 8.521) 9.360 6.973 ( 6.967 -0.997 -14.055) 15.719 7.305 ( 0.249 1.213 -6.601) 6.716 7.757 ( 8.252 -9.738 -9.206) 15.737 7.865 ( -0.102 7.296 13.965) 15.757 8.179 ( -9.811 1.464 -11.041) 14.843 8.585 ( -8.433 -1.808 8.145) 11.863 8.826 ( 4.847 0.720 4.967) 6.977 8.988 ( 1.218 -3.494 -4.675) 5.962 9.022 ( -4.215 -0.905 -0.060) 4.311 9.137 ( 1.795 14.272 -0.791) 14.407 9.622 ( 1.290 -1.718 6.012) 6.384 10.042 ( -0.156 -0.349 -10.343) 10.350 10.298 ( 5.680 -2.517 3.282) 7.026 10.369 ( -4.799 4.701 0.267) 6.723 10.704 ( 11.020 -2.022 9.782) 14.873 10.802 ( 2.661 -5.238 1.796) 6.143 11.139 ( -2.496 -4.860 -9.519) 10.976 11.311 ( -0.793 3.086 -1.656) 3.591 11.497 ( -3.295 3.584 0.208) 4.873 11.695 ( -3.519 1.372 9.532) 10.253 11.980 ( -9.522 10.093 -9.447) 16.787 12.598 ( -4.398 -6.634 -4.938) 9.367 12.680 ( -6.168 1.600 -0.378) 6.383 12.916 ( -3.674 -6.984 -1.782) 8.090 13.271 ( -4.118 -9.019 1.538) 10.033 13.472 ( 2.697 0.168 -0.026) 2.703 13.521 ( -9.084 -2.658 -8.028) 12.411 13.873 ( 0.413 3.204 -3.927) 5.085 13.941 ( -0.246 6.843 -1.112) 6.937 14.177 ( -3.217 4.270 3.888) 6.610 14.680 ( 7.824 0.985 -8.430) 11.543 14.801 ( 3.819 4.405 -4.792) 7.547 14.855 ( 0.216 0.624 -9.295) 9.319 14.950 ( 0.263 3.848 -4.007) 5.562 15.477 ( 5.005 0.904 13.549) 14.472 15.797 ( -0.168 -1.228 3.939) 4.129 16.010 ( -0.350 -7.368 -1.507) 7.528 16.378 ( -0.154 -7.286 14.689) 16.398 18.477 ( 12.533 9.266 7.798) 17.428 19.653 ( -3.742 -0.404 -2.626) 4.590 19.716 ( 4.041 -1.584 -5.064) 6.670 20.244 ( 3.793 -26.021 -2.322) 26.398 ======================= Grid point 75 (29/100) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 6.593 -4.635 8.269) 11.547 2.411 ( 2.654 -0.944 1.575) 3.228 2.631 ( 11.178 -0.912 -2.743) 11.546 3.060 ( 3.205 1.403 8.853) 9.520 3.455 ( -3.120 -0.139 -3.151) 4.437 3.552 ( 0.291 -3.329 0.872) 3.453 3.729 ( -5.443 7.133 -10.522) 13.828 3.945 ( -5.253 -4.841 -8.857) 11.379 4.163 ( 10.880 8.709 1.799) 14.052 4.486 ( 2.001 6.263 5.037) 8.283 4.583 ( 3.843 -5.526 -2.030) 7.031 4.815 ( -0.703 5.299 3.621) 6.456 5.005 ( 7.135 0.768 9.879) 12.210 5.286 ( -0.757 7.774 7.529) 10.848 5.966 ( 17.107 4.770 -1.625) 17.834 6.227 ( 17.230 -5.591 -6.079) 19.107 6.729 ( 3.956 -3.134 1.979) 5.421 6.851 ( 1.283 10.916 -0.752) 11.017 7.090 ( 5.389 2.772 -10.647) 12.250 7.276 ( -4.869 6.507 -7.668) 11.173 7.671 ( -15.294 14.865 6.558) 22.313 7.945 ( 8.642 -7.835 -8.119) 14.213 8.188 ( 10.441 2.552 -13.008) 16.874 8.454 ( -6.639 1.041 4.061) 7.852 8.684 ( -16.901 -2.688 -4.763) 17.764 8.961 ( -0.098 -5.565 -1.280) 5.712 9.077 ( 2.683 -0.538 -2.708) 3.849 9.183 ( 1.168 5.772 -4.563) 7.450 9.617 ( -1.151 1.276 1.043) 2.010 10.022 ( -3.154 -0.747 1.878) 3.746 10.200 ( -6.201 6.330 -3.480) 9.520 10.490 ( 11.715 -3.079 -1.976) 12.273 10.731 ( -3.212 3.978 8.569) 9.978 10.983 ( 7.056 -7.106 6.637) 12.013 11.115 ( 1.264 -9.602 -7.697) 12.371 11.315 ( 1.080 1.143 3.385) 3.733 11.405 ( -4.182 1.565 3.638) 5.759 11.568 ( -7.254 5.011 9.308) 12.821 11.950 ( 3.535 8.197 -3.052) 9.434 12.463 ( -9.338 2.199 -0.943) 9.639 12.629 ( 1.109 -5.792 -2.467) 6.392 12.855 ( -1.821 -6.264 -0.046) 6.524 13.131 ( -9.571 -8.683 2.068) 13.088 13.255 ( -12.337 -9.539 -2.407) 15.779 13.627 ( 7.796 5.714 -1.552) 9.789 13.874 ( -0.213 7.002 -2.852) 7.563 13.954 ( 1.321 2.711 0.005) 3.016 14.110 ( -3.674 2.302 2.729) 5.123 14.747 ( 0.788 0.322 -3.986) 4.075 14.819 ( -2.100 1.184 -6.373) 6.814 14.934 ( 4.664 2.759 -15.693) 16.602 14.983 ( 3.096 1.104 -7.378) 8.077 15.617 ( 9.871 -0.100 10.410) 14.346 15.805 ( 1.716 -0.393 6.332) 6.572 16.001 ( -0.799 -5.812 1.235) 5.996 16.327 ( -5.616 -6.054 14.056) 16.302 18.759 ( 15.819 7.642 3.829) 17.980 19.542 ( -7.764 1.007 -3.490) 8.572 19.818 ( 6.293 -3.282 -7.811) 10.554 20.228 ( -4.269 -16.855 -5.571) 18.258 ======================= Grid point 76 (30/100) ======================= q-point: ( 0.44 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 2.540 -6.379 -1.885) 7.120 2.251 ( -8.643 -4.919 -4.683) 10.992 2.983 ( 15.658 8.103 2.863) 17.862 3.164 ( 0.680 0.340 7.658) 7.696 3.404 ( 1.824 3.613 1.907) 4.474 3.519 ( -4.749 -6.136 2.698) 8.215 3.707 ( 3.596 0.996 -13.300) 13.813 3.824 ( -6.911 -1.964 -11.868) 13.873 4.314 ( 7.506 0.944 3.899) 8.511 4.494 ( -6.734 -5.942 5.654) 10.612 4.540 ( -1.541 -4.344 9.569) 10.621 4.617 ( -6.738 -4.295 3.456) 8.706 5.239 ( 8.541 11.185 4.550) 14.790 5.329 ( 0.055 14.138 6.922) 15.742 6.316 ( 17.522 1.940 -2.564) 17.814 6.524 ( 4.859 -9.647 -5.408) 12.080 6.736 ( 0.822 5.493 -6.248) 8.360 6.930 ( -8.307 4.951 -1.035) 9.726 7.233 ( 8.852 15.603 -5.823) 18.860 7.279 ( 20.704 6.321 -4.015) 22.017 7.426 ( -6.110 15.647 0.066) 16.797 7.933 ( -25.662 -1.150 -7.443) 26.745 8.233 ( 5.031 -3.644 -2.427) 6.669 8.409 ( -9.785 -3.865 0.134) 10.522 8.535 ( 16.597 3.893 -16.902) 24.006 8.852 ( -13.225 -1.503 -14.816) 19.917 9.108 ( 3.604 -4.147 -6.592) 8.582 9.180 ( -2.297 -0.665 -2.645) 3.566 9.639 ( 4.999 5.221 0.239) 7.232 9.819 ( -12.516 6.798 2.797) 14.515 10.321 ( 13.543 -0.066 5.012) 14.441 10.587 ( -11.590 0.993 8.183) 14.222 10.731 ( 12.002 -6.261 -1.809) 13.657 10.934 ( -7.985 -7.840 -2.979) 11.580 11.237 ( 6.617 -6.952 7.274) 12.042 11.313 ( -1.525 -7.167 6.769) 9.975 11.385 ( 1.380 10.238 4.885) 11.427 11.445 ( -4.932 8.227 9.973) 13.837 12.070 ( 8.476 4.834 -1.476) 9.868 12.263 ( -10.640 2.885 -0.767) 11.051 12.701 ( 6.027 -4.643 -4.496) 8.837 12.831 ( -4.085 -3.052 -4.269) 6.650 12.966 ( -2.388 -11.193 5.157) 12.553 13.055 ( -8.225 -10.677 3.795) 14.001 13.768 ( 6.208 6.148 -0.926) 8.786 13.854 ( -2.371 7.140 -1.487) 7.669 13.986 ( 1.993 1.506 0.150) 2.502 14.038 ( -3.366 1.371 1.296) 3.859 14.756 ( 0.556 1.304 -3.550) 3.822 14.778 ( -1.737 1.703 -4.457) 5.078 14.989 ( 2.010 -0.306 -14.072) 14.218 15.015 ( -0.322 -0.618 -13.198) 13.217 15.836 ( 9.170 -1.075 2.706) 9.621 15.859 ( 3.209 -0.618 3.839) 5.042 15.990 ( 1.832 -3.909 10.168) 11.046 16.160 ( -10.924 -4.349 13.770) 18.107 19.071 ( 15.539 5.347 -0.106) 16.434 19.346 ( -12.283 2.976 -2.748) 12.933 19.957 ( 7.735 -6.262 -8.561) 13.128 20.108 ( -7.406 -10.633 -7.532) 14.988 ======================= Grid point 81 (31/100) ======================= q-point: ( 0.00 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 0.000 26.990 12.502) 29.745 1.953 ( 0.000 34.433 9.828) 35.808 2.610 ( 0.000 -9.032 -5.613) 10.634 2.780 ( 0.000 19.718 24.045) 31.096 3.161 ( 0.000 -9.731 14.340) 17.330 3.358 ( 0.000 -20.975 -11.644) 23.990 3.808 ( 0.000 -0.353 -10.141) 10.148 3.968 ( 0.000 0.105 -16.040) 16.040 4.163 ( 0.000 11.959 8.652) 14.761 4.574 ( 0.000 18.939 -1.597) 19.006 4.612 ( 0.000 7.374 -6.366) 9.741 4.957 ( 0.000 -2.351 7.553) 7.911 5.099 ( 0.000 12.492 -8.686) 15.215 5.501 ( 0.000 -21.458 -4.816) 21.992 5.759 ( 0.000 -10.102 0.465) 10.113 6.081 ( 0.000 -10.340 -16.485) 19.460 6.291 ( 0.000 16.677 5.649) 17.607 6.736 ( 0.000 10.161 -10.058) 14.297 7.048 ( 0.000 -13.786 11.063) 17.676 7.370 ( 0.000 -14.728 -15.037) 21.049 7.419 ( 0.000 30.186 6.331) 30.842 7.828 ( 0.000 3.838 13.371) 13.911 8.212 ( 0.000 -14.394 -4.113) 14.970 8.599 ( 0.000 -19.888 6.089) 20.800 8.705 ( 0.000 8.558 2.382) 8.883 9.028 ( 0.000 -1.792 0.968) 2.037 9.182 ( 0.000 7.302 -4.977) 8.837 9.291 ( 0.000 1.617 5.589) 5.819 9.634 ( 0.000 1.391 2.366) 2.745 9.906 ( 0.000 -9.940 3.620) 10.579 10.106 ( 0.000 2.005 6.587) 6.886 10.178 ( 0.000 -3.216 14.503) 14.855 10.667 ( 0.000 14.419 6.297) 15.734 10.921 ( 0.000 5.413 -4.805) 7.238 11.118 ( 0.000 -3.825 -11.110) 11.750 11.288 ( 0.000 -10.918 2.409) 11.180 11.705 ( 0.000 12.167 -3.490) 12.657 11.857 ( 0.000 13.748 -2.458) 13.966 12.320 ( 0.000 -17.260 -5.109) 18.000 12.500 ( 0.000 -13.019 -9.063) 15.862 12.922 ( 0.000 1.164 -9.396) 9.468 13.004 ( 0.000 -2.629 -11.142) 11.448 13.150 ( 0.000 9.514 2.909) 9.949 13.479 ( 0.000 -1.112 5.636) 5.744 13.677 ( 0.000 -3.477 -8.881) 9.538 13.741 ( 0.000 -2.647 -11.085) 11.396 14.175 ( 0.000 8.409 -2.839) 8.875 14.502 ( 0.000 -6.977 -0.018) 6.977 14.516 ( 0.000 16.088 -1.710) 16.178 14.825 ( 0.000 1.005 -6.957) 7.029 14.872 ( 0.000 2.328 -8.984) 9.281 14.977 ( 0.000 -0.458 -8.590) 8.602 15.444 ( 0.000 5.052 14.160) 15.034 15.747 ( 0.000 -8.896 1.267) 8.986 15.839 ( 0.000 3.567 2.235) 4.209 16.181 ( 0.000 -13.360 19.041) 23.260 18.491 ( 0.000 13.971 10.108) 17.244 19.158 ( 0.000 -19.924 20.579) 28.644 19.643 ( 0.000 0.001 -0.372) 0.372 19.684 ( 0.000 -1.850 -0.058) 1.851 ======================= Grid point 82 (32/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 8.096 20.540 12.101) 25.177 2.083 ( 7.508 28.299 17.192) 33.953 2.569 ( -3.413 -10.112 -2.822) 11.039 2.985 ( 14.548 10.362 11.388) 21.182 3.145 ( 3.335 -8.080 10.524) 13.681 3.409 ( 2.414 -14.527 -12.653) 19.415 3.771 ( -2.970 -1.860 -7.621) 8.389 4.015 ( 2.465 -2.630 -12.445) 12.957 4.192 ( 3.477 15.330 8.359) 17.804 4.554 ( 0.684 13.497 -4.179) 14.145 4.630 ( 0.888 12.640 -7.299) 14.623 4.983 ( 1.998 7.962 2.990) 8.736 5.110 ( 1.100 12.511 -3.627) 13.073 5.396 ( -10.069 -15.770 -3.436) 19.023 5.651 ( -1.257 -10.989 7.547) 13.390 5.927 ( -10.897 -3.004 -4.211) 12.062 6.524 ( 14.072 1.528 -1.790) 14.267 6.807 ( 4.210 9.826 -12.119) 16.160 7.041 ( -0.653 -12.263 2.806) 12.596 7.342 ( 1.808 -8.402 -7.835) 11.630 7.479 ( 3.878 21.731 3.303) 22.320 7.860 ( 3.388 3.003 9.888) 10.875 8.188 ( -1.714 -10.840 -6.555) 12.784 8.590 ( -1.710 -17.505 7.528) 19.132 8.773 ( 6.155 7.722 3.496) 10.476 9.048 ( 0.216 -0.868 0.057) 0.896 9.090 ( -8.145 5.832 -2.225) 10.262 9.294 ( 0.907 -1.089 9.308) 9.415 9.652 ( 2.491 7.272 -0.421) 7.698 10.016 ( 4.134 -6.801 -0.935) 8.014 10.151 ( 7.062 -2.918 4.857) 9.054 10.200 ( 4.106 -2.486 10.614) 11.649 10.643 ( -2.770 11.704 0.937) 12.064 10.884 ( -1.527 6.279 0.856) 6.519 11.097 ( -3.576 -6.194 -9.890) 12.205 11.265 ( -1.951 -9.731 2.742) 10.297 11.708 ( -0.195 11.797 -2.970) 12.167 11.858 ( -0.323 11.821 0.995) 11.867 12.269 ( -6.072 -11.586 -5.580) 14.221 12.416 ( -5.818 -11.056 -9.508) 15.700 12.877 ( -4.432 -0.792 -7.053) 8.367 12.930 ( -5.311 3.764 -7.026) 9.578 13.172 ( -0.685 0.042 2.407) 2.503 13.442 ( -3.648 -4.201 2.099) 5.947 13.626 ( -3.074 0.939 -9.446) 9.978 13.790 ( 3.636 -3.407 -7.080) 8.657 14.157 ( -1.832 8.032 -2.449) 8.594 14.380 ( -6.867 1.823 1.081) 7.186 14.619 ( 5.843 7.019 -5.133) 10.477 14.835 ( 0.520 0.489 -7.482) 7.516 14.875 ( 1.823 4.308 -8.897) 10.051 15.012 ( 1.941 1.355 -6.479) 6.898 15.459 ( 1.498 3.638 13.878) 14.425 15.744 ( 0.432 -6.883 1.675) 7.097 15.854 ( 0.120 -1.214 4.252) 4.424 16.166 ( -0.232 -11.411 17.726) 21.083 18.558 ( 6.824 14.849 9.125) 18.717 19.346 ( 15.247 -24.549 12.216) 31.374 19.657 ( 1.340 -0.563 -1.406) 2.022 19.683 ( -0.036 -1.881 -0.528) 1.953 ======================= Grid point 83 (33/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 11.847 8.582 18.019) 23.210 2.204 ( 8.286 16.100 11.000) 21.187 2.484 ( -5.551 -8.852 0.414) 10.457 3.021 ( -1.726 -9.202 14.475) 17.238 3.417 ( 0.597 -4.456 -10.243) 11.187 3.452 ( 13.711 -4.625 -10.247) 17.731 3.690 ( -4.658 -3.216 -2.171) 6.063 3.996 ( -3.946 -3.900 -4.493) 7.139 4.327 ( 8.432 20.453 -0.205) 22.124 4.606 ( -0.422 7.943 -3.131) 8.548 4.607 ( -2.589 9.136 -11.353) 14.800 5.036 ( 4.689 15.142 -0.855) 15.874 5.161 ( -7.004 7.410 0.475) 10.208 5.251 ( 9.546 0.204 9.073) 13.171 5.774 ( 12.325 -7.811 3.744) 15.064 5.814 ( 2.518 -2.494 1.925) 4.033 6.648 ( -0.092 -0.478 2.474) 2.521 6.873 ( 1.081 -6.062 -8.578) 10.559 7.102 ( 9.865 4.957 -13.694) 17.590 7.473 ( 9.184 -7.944 -4.205) 12.851 7.547 ( 2.688 16.080 2.593) 16.508 7.956 ( 5.657 2.446 6.062) 8.645 8.175 ( 0.608 -1.841 -10.393) 10.572 8.492 ( -7.226 -8.778 7.025) 13.365 8.858 ( -2.598 0.693 -1.085) 2.899 8.914 ( -7.376 -2.003 -3.850) 8.558 9.047 ( 2.246 4.262 8.162) 9.477 9.313 ( -0.742 -1.513 10.309) 10.446 9.710 ( 2.579 11.696 -7.860) 14.326 10.012 ( -1.641 -2.511 -5.937) 6.652 10.247 ( 5.564 -1.044 5.901) 8.177 10.444 ( 11.230 -2.606 -0.890) 11.563 10.589 ( 0.988 1.159 3.414) 3.738 10.874 ( -0.876 5.722 6.323) 8.572 10.987 ( -6.285 -8.584 -6.861) 12.659 11.209 ( -4.084 -9.410 5.478) 11.629 11.678 ( -2.707 12.524 -2.636) 13.081 11.823 ( -3.528 9.178 5.463) 11.248 12.131 ( -4.785 1.225 -8.720) 10.022 12.352 ( -1.067 -13.277 -4.873) 14.183 12.777 ( -5.727 -0.923 -3.791) 6.930 12.801 ( -7.668 3.420 -1.610) 8.549 13.094 ( -6.627 -6.522 2.285) 9.575 13.295 ( -11.451 -10.061 -4.038) 15.768 13.640 ( 4.656 7.072 -4.109) 9.412 13.863 ( 3.702 -2.492 -4.033) 6.015 14.111 ( -2.602 7.270 -1.654) 7.897 14.260 ( -5.434 2.009 2.091) 6.159 14.723 ( 4.077 3.362 -7.692) 9.332 14.844 ( 0.514 -0.220 -9.751) 9.767 14.943 ( 4.103 6.065 -9.533) 12.021 15.021 ( -0.914 2.489 -4.543) 5.260 15.505 ( 3.556 1.854 11.732) 12.399 15.773 ( 2.291 -5.389 2.361) 6.314 15.841 ( -0.356 -2.127 8.254) 8.531 16.181 ( 0.715 -10.597 14.701) 18.136 18.743 ( 11.577 15.493 6.128) 20.288 19.596 ( 7.598 -17.298 -0.904) 18.914 19.657 ( -0.942 -1.513 -2.803) 3.322 19.727 ( 4.750 -9.943 -0.297) 11.024 ======================= Grid point 84 (34/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.444 9.470 15.351) 18.043 2.352 ( -7.423 -2.059 2.871) 8.221 2.509 ( 18.413 -5.648 5.376) 19.996 3.012 ( 0.359 -15.426 12.133) 19.629 3.441 ( 2.939 -1.557 -6.395) 7.208 3.556 ( -1.376 9.988 -4.405) 11.003 3.674 ( 2.938 -12.101 -5.382) 13.566 3.902 ( -5.373 -1.204 -4.798) 7.303 4.383 ( -1.539 10.296 -3.156) 10.878 4.488 ( -6.678 3.047 -5.718) 9.304 4.548 ( -6.479 2.614 -0.161) 6.989 4.845 ( -14.964 -5.532 2.118) 16.094 5.332 ( 14.521 20.084 0.622) 24.791 5.552 ( 15.798 19.067 11.053) 27.116 6.003 ( 14.875 -11.158 -3.990) 19.018 6.086 ( 15.580 0.771 -1.427) 15.664 6.717 ( 10.175 2.320 -0.595) 10.453 6.881 ( 3.658 -4.026 -8.154) 9.802 7.335 ( 10.978 6.976 -12.477) 18.024 7.485 ( -7.821 18.306 3.654) 20.239 7.706 ( 12.263 -9.334 -6.300) 16.649 7.938 ( -8.613 4.519 6.718) 11.820 8.252 ( 7.407 4.220 -14.295) 16.644 8.462 ( 5.027 -1.762 1.199) 5.460 8.622 ( -16.787 -1.719 -5.442) 17.731 8.832 ( -3.793 -6.753 -2.018) 8.004 9.082 ( -2.170 1.964 2.504) 3.852 9.246 ( -5.166 -1.168 2.728) 5.958 9.745 ( 1.840 10.904 -10.636) 15.343 10.024 ( 3.734 0.048 -1.611) 4.067 10.321 ( -3.763 4.366 0.106) 5.764 10.466 ( 3.926 3.358 3.624) 6.311 10.786 ( -5.844 -4.092 2.388) 7.523 10.811 ( 9.549 -9.052 8.783) 15.820 10.897 ( -2.693 -6.316 2.393) 7.271 11.114 ( -4.810 -11.684 8.326) 15.132 11.650 ( 0.824 15.102 -1.276) 15.178 11.747 ( -3.058 11.277 6.274) 13.263 12.114 ( 2.030 4.605 -7.339) 8.899 12.359 ( 1.135 -12.270 -3.410) 12.785 12.619 ( -8.435 5.180 -2.334) 10.170 12.700 ( -2.914 -6.284 3.816) 7.909 12.938 ( -9.152 -8.505 2.239) 12.693 13.041 ( -13.250 -10.045 -4.473) 17.219 13.763 ( 7.136 6.512 -1.355) 9.755 13.933 ( 3.392 -0.523 -2.675) 4.352 14.064 ( -2.180 5.867 -0.711) 6.299 14.161 ( -4.882 1.747 2.017) 5.564 14.775 ( 1.659 2.403 -6.439) 7.070 14.849 ( -0.194 1.119 -9.169) 9.239 14.974 ( -1.189 0.940 -8.734) 8.865 15.011 ( 0.016 0.951 -9.103) 9.152 15.623 ( 8.814 1.214 8.547) 12.337 15.821 ( 2.345 -0.735 4.968) 5.542 15.859 ( 1.760 -3.560 7.159) 8.187 16.159 ( -3.444 -9.203 12.885) 16.204 18.989 ( 13.083 13.849 2.178) 19.175 19.578 ( -5.056 2.293 -4.248) 6.990 19.714 ( 3.812 -8.651 -6.661) 11.565 19.814 ( 2.752 -17.829 -2.095) 18.162 ======================= Grid point 85 (35/100) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 1.749 7.770 8.667) 11.771 2.219 ( -5.574 4.272 4.926) 8.578 2.828 ( 13.031 -16.919 6.389) 22.291 2.991 ( -3.811 -20.883 8.992) 23.054 3.518 ( 3.741 3.804 -3.264) 6.254 3.544 ( 0.294 10.062 -1.048) 10.120 3.713 ( 1.517 -3.603 -8.206) 9.090 3.786 ( -5.916 -0.598 -8.779) 10.603 4.371 ( -1.746 1.819 -1.042) 2.728 4.408 ( 0.169 -1.635 4.352) 4.652 4.412 ( -2.174 0.944 2.205) 3.237 4.577 ( -11.794 -1.814 3.846) 12.537 5.582 ( 10.385 17.529 1.730) 20.448 5.703 ( -0.702 19.363 5.296) 20.087 6.268 ( 8.605 -13.567 -4.791) 16.765 6.306 ( 6.466 -5.672 -5.524) 10.222 6.859 ( 9.643 8.362 -7.979) 15.052 7.169 ( -15.495 15.315 -1.704) 21.852 7.311 ( 26.961 -2.959 -7.032) 28.019 7.534 ( 6.764 7.431 -4.356) 10.952 7.751 ( -5.274 11.259 3.568) 12.935 7.922 ( -4.035 2.310 -11.569) 12.468 8.195 ( -6.223 0.015 -3.275) 7.032 8.350 ( -9.902 -1.319 -2.847) 10.387 8.629 ( 11.366 4.717 -9.883) 15.783 8.802 ( -2.518 -2.134 -6.034) 6.877 8.998 ( -0.922 -5.417 -8.038) 9.737 9.113 ( -8.362 -5.465 -2.148) 10.218 9.838 ( 8.043 12.930 -3.361) 15.594 10.023 ( -8.444 11.617 2.090) 14.513 10.297 ( 8.972 -2.699 -1.565) 9.499 10.535 ( -10.064 -6.453 3.679) 12.509 10.648 ( 5.158 -0.702 6.487) 8.317 10.792 ( -6.687 -4.020 7.443) 10.783 10.994 ( 5.139 -13.974 9.949) 17.907 11.052 ( -1.904 -13.927 9.992) 17.246 11.696 ( 2.666 16.963 1.576) 17.244 11.722 ( -0.265 16.023 4.708) 16.703 12.184 ( 5.150 3.727 -6.442) 9.050 12.313 ( -6.841 -1.548 -5.933) 9.186 12.565 ( 4.607 -5.236 0.817) 7.022 12.692 ( 0.420 -11.502 6.848) 13.393 12.744 ( -7.955 -5.813 -2.565) 10.181 12.824 ( -8.548 -10.077 0.555) 13.226 13.900 ( 6.461 5.574 -0.313) 8.539 13.984 ( 0.248 3.493 -1.835) 3.954 14.024 ( -0.909 2.473 0.286) 2.650 14.070 ( -4.034 1.328 0.887) 4.338 14.802 ( 1.375 3.073 -5.355) 6.326 14.832 ( -1.473 3.240 -6.060) 7.028 14.963 ( 0.541 -2.242 -10.472) 10.723 14.989 ( -1.764 -2.087 -11.316) 11.641 15.815 ( 8.395 -0.575 4.120) 9.370 15.857 ( 1.096 0.518 4.909) 5.057 15.898 ( 3.253 -3.730 9.336) 10.567 16.043 ( -8.136 -6.141 11.319) 15.232 19.236 ( 11.899 10.193 -1.464) 15.737 19.441 ( -8.856 6.003 -3.759) 11.340 19.781 ( 3.081 -10.204 -7.171) 12.846 19.826 ( -1.168 -14.356 -5.312) 15.352 ======================= Grid point 90 (36/100) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.000 -15.430 -1.903) 15.547 2.254 ( 0.000 15.430 -1.903) 15.547 2.760 ( 0.000 -27.456 8.871) 28.854 2.760 ( 0.000 27.456 8.871) 28.854 2.964 ( 0.000 -3.207 6.734) 7.459 2.964 ( 0.000 3.207 6.734) 7.459 3.936 ( 0.000 -6.130 -13.373) 14.711 3.936 ( 0.000 6.130 -13.373) 14.711 4.519 ( 0.000 -15.143 4.495) 15.796 4.519 ( 0.000 15.143 4.495) 15.796 4.991 ( 0.000 -10.564 6.391) 12.347 4.991 ( 0.000 10.564 6.391) 12.347 5.082 ( 0.000 -2.339 -0.746) 2.455 5.082 ( 0.000 2.339 -0.746) 2.455 5.835 ( 0.000 -11.842 -17.241) 20.916 5.835 ( 0.000 11.842 -17.241) 20.916 6.649 ( 0.000 -16.475 6.333) 17.651 6.649 ( 0.000 16.475 6.333) 17.651 7.055 ( 0.000 -13.654 -9.634) 16.711 7.055 ( 0.000 13.654 -9.634) 16.711 7.962 ( 0.000 -9.086 2.109) 9.328 7.962 ( 0.000 9.086 2.109) 9.328 8.070 ( 0.000 -29.296 5.734) 29.852 8.070 ( 0.000 29.296 5.734) 29.852 8.892 ( 0.000 -8.554 1.585) 8.699 8.892 ( 0.000 8.554 1.585) 8.699 9.294 ( 0.000 -2.079 4.918) 5.339 9.294 ( 0.000 2.079 4.918) 5.339 9.723 ( 0.000 -6.715 1.853) 6.966 9.723 ( 0.000 6.715 1.853) 6.966 10.134 ( 0.000 -1.207 10.507) 10.576 10.134 ( 0.000 1.207 10.507) 10.576 11.000 ( 0.000 -15.467 5.188) 16.314 11.000 ( 0.000 15.467 5.188) 16.314 11.027 ( 0.000 -4.576 -9.450) 10.500 11.027 ( 0.000 4.576 -9.450) 10.500 11.985 ( 0.000 -14.412 -4.008) 14.959 11.985 ( 0.000 14.412 -4.008) 14.959 12.181 ( 0.000 -16.078 -4.350) 16.656 12.181 ( 0.000 16.078 -4.350) 16.656 12.952 ( 0.000 -2.021 -9.873) 10.078 12.952 ( 0.000 2.021 -9.873) 10.078 13.358 ( 0.000 -9.038 4.136) 9.939 13.358 ( 0.000 9.038 4.136) 9.939 13.682 ( 0.000 -2.545 -10.950) 11.242 13.682 ( 0.000 2.545 -10.950) 11.242 14.345 ( 0.000 -7.770 -0.686) 7.800 14.345 ( 0.000 7.770 -0.686) 7.800 14.788 ( 0.000 -6.967 -7.844) 10.491 14.788 ( 0.000 6.967 -7.844) 10.491 14.921 ( 0.000 -3.264 -9.702) 10.236 14.921 ( 0.000 3.264 -9.702) 10.236 15.570 ( 0.000 -7.123 7.856) 10.605 15.570 ( 0.000 7.123 7.856) 10.605 15.947 ( 0.000 -7.984 14.851) 16.861 15.947 ( 0.000 7.984 14.851) 16.861 18.799 ( 0.000 -15.220 12.273) 19.552 18.799 ( 0.000 15.220 12.273) 19.552 19.653 ( 0.000 -1.015 -0.390) 1.087 19.653 ( 0.000 1.015 -0.390) 1.087 ======================= Grid point 92 (37/100) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.359 -15.402 -0.647) 15.476 2.219 ( -1.359 15.402 -0.647) 15.476 2.752 ( -2.370 -22.830 20.000) 30.444 2.752 ( -2.370 22.830 20.000) 30.444 3.120 ( 12.942 -6.269 -5.047) 15.240 3.120 ( 12.942 6.269 -5.047) 15.240 3.904 ( -2.766 -9.007 -12.994) 16.051 3.904 ( -2.766 9.007 -12.994) 16.051 4.558 ( 4.228 -12.429 1.028) 13.168 4.558 ( 4.228 12.429 1.028) 13.168 4.955 ( -3.873 -17.218 -0.563) 17.657 4.955 ( -3.873 17.218 -0.563) 17.657 5.185 ( 9.981 -12.389 5.478) 16.826 5.185 ( 9.981 12.389 5.478) 16.826 5.716 ( -8.179 -13.788 -7.774) 17.817 5.716 ( -8.179 13.788 -7.774) 17.817 6.727 ( 3.674 -14.634 2.490) 15.292 6.727 ( 3.674 14.634 2.490) 15.292 7.050 ( 2.413 -13.471 -9.769) 16.815 7.050 ( 2.413 13.471 -9.769) 16.815 7.963 ( 0.292 -4.124 -1.295) 4.332 7.963 ( 0.292 4.124 -1.295) 4.332 8.108 ( 3.658 -24.227 6.130) 25.257 8.108 ( 3.658 24.227 6.130) 25.257 8.942 ( 3.230 -7.327 1.309) 8.114 8.942 ( 3.230 7.327 1.309) 8.114 9.221 ( -5.781 -4.982 7.128) 10.443 9.221 ( -5.781 4.982 7.128) 10.443 9.828 ( 8.341 -8.810 -0.436) 12.140 9.828 ( 8.341 8.810 -0.436) 12.140 10.157 ( 3.129 -1.622 8.108) 8.841 10.157 ( 3.129 1.622 8.108) 8.841 10.908 ( -7.289 -11.607 -6.533) 15.183 10.908 ( -7.289 11.607 -6.533) 15.183 11.048 ( 0.532 -9.020 3.294) 9.617 11.048 ( 0.532 9.020 3.294) 9.617 11.979 ( -0.872 -13.456 -4.104) 14.094 11.979 ( -0.872 13.456 -4.104) 14.094 12.146 ( -3.096 -13.966 -2.505) 14.522 12.146 ( -3.096 13.966 -2.505) 14.522 12.914 ( -3.831 -3.019 -8.623) 9.907 12.914 ( -3.831 3.019 -8.623) 9.907 13.287 ( -7.101 -8.342 1.499) 11.057 13.287 ( -7.101 8.342 1.499) 11.057 13.704 ( 2.440 -4.588 -7.852) 9.416 13.704 ( 2.440 4.588 -7.852) 9.416 14.309 ( -3.289 -6.181 -0.414) 7.013 14.309 ( -3.289 6.181 -0.414) 7.013 14.783 ( 0.370 -5.457 -9.347) 10.830 14.783 ( 0.370 5.457 -9.347) 10.830 14.983 ( 4.351 -4.261 -8.413) 10.386 14.983 ( 4.351 4.261 -8.413) 10.386 15.564 ( -0.130 -7.050 7.905) 10.593 15.564 ( -0.130 7.050 7.905) 10.593 15.948 ( 0.272 -8.358 14.527) 16.762 15.948 ( 0.272 8.358 14.527) 16.762 18.904 ( 9.725 -18.037 9.796) 22.713 18.904 ( 9.725 18.037 9.796) 22.713 19.658 ( 0.420 -0.604 -1.313) 1.505 19.658 ( 0.420 0.604 -1.313) 1.505 ======================= Grid point 94 (38/100) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 3.213 -8.140 2.038) 8.985 2.239 ( 3.213 8.140 2.038) 8.985 2.678 ( -4.567 -19.503 20.636) 28.759 2.678 ( -4.567 19.503 20.636) 28.759 3.333 ( 7.974 -2.193 -6.367) 10.437 3.333 ( 7.974 2.193 -6.367) 10.437 3.844 ( -3.144 -10.462 -8.993) 14.150 3.844 ( -3.144 10.462 -8.993) 14.150 4.637 ( 0.268 -7.433 -7.847) 10.812 4.637 ( 0.268 7.433 -7.847) 10.812 4.843 ( -7.029 -13.324 -2.449) 15.262 4.843 ( -7.029 13.324 -2.449) 15.262 5.419 ( 12.554 -5.105 2.104) 13.715 5.419 ( 12.554 5.105 2.104) 13.715 5.693 ( 9.160 -8.088 5.525) 13.411 5.693 ( 9.160 8.088 5.525) 13.411 6.728 ( -0.843 -6.882 -1.246) 7.044 6.728 ( -0.843 6.882 -1.246) 7.044 7.207 ( 11.957 -9.268 -7.785) 17.014 7.207 ( 11.957 9.268 -7.785) 17.014 7.964 ( -1.312 -7.180 -1.287) 7.411 7.964 ( -1.312 7.180 -1.287) 7.411 8.208 ( 6.878 -12.049 0.253) 13.876 8.208 ( 6.878 12.049 0.253) 13.876 8.880 ( -9.795 -1.726 -1.948) 10.135 8.880 ( -9.795 1.726 -1.948) 10.135 9.189 ( 2.057 -7.746 11.280) 13.837 9.189 ( 2.057 7.746 11.280) 13.837 9.927 ( 1.175 -6.427 -7.982) 10.314 9.927 ( 1.175 6.427 -7.982) 10.314 10.306 ( 11.655 -6.550 6.350) 14.800 10.306 ( 11.655 6.550 6.350) 14.800 10.750 ( -8.206 -10.802 -5.180) 14.521 10.750 ( -8.206 10.802 -5.180) 14.521 11.030 ( -2.881 -7.326 7.684) 11.000 11.030 ( -2.881 7.326 7.684) 11.000 11.942 ( -2.496 -9.179 -4.988) 10.740 11.942 ( -2.496 9.179 -4.988) 10.740 12.099 ( -0.913 -8.887 1.171) 9.010 12.099 ( -0.913 8.887 1.171) 9.010 12.811 ( -6.342 -3.956 -5.481) 9.269 12.811 ( -6.342 3.956 -5.481) 9.269 13.100 ( -11.484 -7.198 -0.978) 13.588 13.100 ( -11.484 7.198 -0.978) 13.588 13.777 ( 4.825 -5.515 -3.994) 8.345 13.777 ( 4.825 5.515 -3.994) 8.345 14.234 ( -4.078 -4.046 0.092) 5.745 14.234 ( -4.078 4.046 0.092) 5.745 14.805 ( 1.525 -3.443 -9.993) 10.679 14.805 ( 1.525 3.443 -9.993) 10.679 15.035 ( 0.298 -1.788 -7.560) 7.775 15.035 ( 0.298 1.788 -7.560) 7.775 15.591 ( 3.361 -7.158 6.862) 10.470 15.591 ( 3.361 7.158 6.862) 10.470 15.961 ( 0.856 -9.340 13.585) 16.508 15.961 ( 0.856 9.340 13.585) 16.508 19.126 ( 11.788 -20.719 4.710) 24.299 19.126 ( 11.788 20.719 4.710) 24.299 19.664 ( 0.019 -1.194 -3.317) 3.525 19.664 ( 0.019 1.194 -3.317) 3.525 ======================= Grid point 96 (39/100) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 5.247 -5.485 4.924) 9.048 2.327 ( 5.247 5.485 4.924) 9.048 2.589 ( -4.376 -18.660 16.282) 25.149 2.589 ( -4.376 18.660 16.282) 25.149 3.465 ( 6.528 -5.422 -5.367) 10.041 3.465 ( 6.528 5.422 -5.367) 10.041 3.789 ( -2.529 -9.095 -4.614) 10.507 3.789 ( -2.529 9.095 -4.614) 10.507 4.523 ( -8.850 -2.339 -6.155) 11.031 4.523 ( -8.850 2.339 -6.155) 11.031 4.685 ( -9.499 -8.415 -0.265) 12.693 4.685 ( -9.499 8.415 -0.265) 12.693 5.685 ( 14.367 -15.289 -0.283) 20.982 5.685 ( 14.367 15.289 -0.283) 20.982 5.974 ( 13.461 -14.125 1.733) 19.588 5.974 ( 13.461 14.125 1.733) 19.588 6.795 ( 9.635 -4.949 -5.030) 11.943 6.795 ( 9.635 4.949 -5.030) 11.943 7.464 ( 12.984 -9.335 -6.140) 17.129 7.464 ( 12.984 9.335 -6.140) 17.129 7.874 ( -7.100 -11.098 4.358) 13.877 7.874 ( -7.100 11.098 4.358) 13.877 8.371 ( 7.356 -5.860 -12.209) 15.411 8.371 ( 7.356 5.860 -12.209) 15.411 8.673 ( -8.452 -6.596 0.756) 10.748 8.673 ( -8.452 6.596 0.756) 10.748 9.167 ( -5.807 -5.068 3.746) 8.570 9.167 ( -5.807 5.068 3.746) 8.570 9.959 ( 4.159 -7.050 -10.134) 13.027 9.959 ( 4.159 7.050 -10.134) 13.027 10.498 ( 1.819 -14.055 3.770) 14.665 10.498 ( 1.819 14.055 3.770) 14.665 10.623 ( -0.734 -9.481 3.670) 10.193 10.623 ( -0.734 9.481 3.670) 10.193 10.933 ( -6.318 -5.297 11.049) 13.786 10.933 ( -6.318 5.297 11.049) 13.786 11.932 ( 2.364 -4.885 -4.799) 7.244 11.932 ( 2.364 4.885 -4.799) 7.244 12.107 ( 1.273 -5.420 2.441) 6.079 12.107 ( 1.273 5.420 2.441) 6.079 12.679 ( -6.680 -2.326 -2.391) 7.467 12.679 ( -6.680 2.326 -2.391) 7.467 12.863 ( -12.054 -4.803 -0.822) 13.002 12.863 ( -12.054 4.803 -0.822) 13.002 13.881 ( 5.539 -4.242 -1.906) 7.232 13.881 ( 5.539 4.242 -1.906) 7.232 14.156 ( -3.981 -2.453 0.399) 4.694 14.156 ( -3.981 2.453 0.399) 4.694 14.835 ( 1.631 -2.501 -9.494) 9.952 14.835 ( 1.631 2.501 -9.494) 9.952 15.001 ( -3.219 -1.567 -7.059) 7.915 15.001 ( -3.219 1.567 -7.059) 7.915 15.693 ( 6.565 -5.503 5.399) 10.125 15.693 ( 6.565 5.503 5.399) 10.125 15.967 ( -0.658 -8.204 11.495) 14.138 15.967 ( -0.658 8.204 11.495) 14.138 19.337 ( 9.564 -18.809 -0.089) 21.101 19.337 ( 9.564 18.809 -0.089) 21.101 19.651 ( -1.528 -4.203 -4.913) 6.644 19.651 ( -1.528 4.203 -4.913) 6.644 ======================= Grid point 98 (40/100) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 4.685 -13.131 8.039) 16.093 2.426 ( 4.685 13.131 8.039) 16.093 2.509 ( -3.959 -17.290 11.662) 21.227 2.509 ( -3.959 17.290 11.662) 21.228 3.601 ( 7.257 -4.490 -5.650) 10.235 3.601 ( 7.257 4.490 -5.650) 10.235 3.726 ( -4.754 -5.418 -4.743) 8.628 3.726 ( -4.754 5.418 -4.743) 8.628 4.410 ( -0.864 -1.538 -0.286) 1.787 4.410 ( -0.864 1.538 -0.286) 1.787 4.497 ( -8.536 -5.414 2.294) 10.365 4.497 ( -8.536 5.414 2.294) 10.365 5.941 ( 10.978 -16.337 -1.517) 19.741 5.941 ( 10.978 16.337 -1.517) 19.741 6.081 ( -2.230 -14.961 -1.238) 15.177 6.081 ( -2.230 14.961 -1.238) 15.177 7.110 ( 20.181 -13.400 -8.435) 25.652 7.110 ( 20.181 13.400 -8.435) 25.652 7.477 ( -14.537 -11.440 -7.196) 19.849 7.477 ( -14.537 11.440 -7.196) 19.849 7.931 ( 15.807 -6.718 2.596) 17.370 7.931 ( 15.807 6.718 2.596) 17.370 8.268 ( -15.541 -6.910 -6.123) 18.077 8.268 ( -15.541 6.910 -6.123) 18.077 8.740 ( 11.916 -5.817 -5.792) 14.470 8.740 ( 11.916 5.817 -5.792) 14.470 8.982 ( -11.846 -5.292 -5.709) 14.175 8.982 ( -11.846 5.292 -5.709) 14.175 10.107 ( 10.454 -9.624 -4.065) 14.779 10.107 ( 10.454 9.624 -4.065) 14.779 10.338 ( -12.089 -11.276 -0.612) 16.543 10.338 ( -12.089 11.276 -0.612) 16.543 10.724 ( 5.563 -9.334 11.432) 15.772 10.724 ( 5.563 9.334 11.432) 15.772 10.820 ( -4.919 -6.492 12.708) 15.094 10.820 ( -4.919 6.492 12.708) 15.094 12.026 ( 6.236 -2.113 -3.179) 7.312 12.026 ( 6.236 2.113 -3.179) 7.312 12.115 ( -1.702 -3.004 0.207) 3.458 12.115 ( -1.702 3.004 0.207) 3.458 12.587 ( -1.338 -1.970 -0.094) 2.383 12.587 ( -1.338 1.970 -0.094) 2.383 12.658 ( -8.056 -2.814 0.493) 8.548 12.658 ( -8.056 2.814 0.493) 8.548 13.986 ( 5.032 -2.306 -0.648) 5.574 13.986 ( 5.032 2.306 -0.648) 5.574 14.076 ( -4.268 -1.164 0.165) 4.427 14.076 ( -4.268 1.164 0.165) 4.427 14.873 ( 2.394 -2.298 -8.501) 9.125 14.873 ( 2.394 2.298 -8.501) 9.125 14.931 ( -3.480 -2.198 -7.476) 8.535 14.931 ( -3.480 2.198 -7.476) 8.535 15.824 ( 6.333 -1.652 5.987) 8.870 15.824 ( 6.333 1.652 5.987) 8.870 15.925 ( -3.754 -4.487 8.509) 10.327 15.925 ( -3.754 4.487 8.509) 10.327 19.495 ( 6.677 -13.961 -3.478) 15.861 19.495 ( 6.677 13.961 -3.478) 15.861 19.599 ( -3.924 -8.643 -5.090) 10.770 19.599 ( -3.924 8.643 -5.090) 10.770 ======================= Grid point 126 (41/100) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.000 0.000 29.836) 29.836 1.584 ( 0.000 0.000 34.430) 34.430 2.779 ( 0.000 0.000 -9.974) 9.974 3.037 ( 0.000 0.000 61.908) 61.908 3.105 ( 0.000 0.000 -7.009) 7.009 3.669 ( 0.000 0.000 -2.769) 2.769 3.671 ( 0.000 0.000 -3.202) 3.202 3.769 ( 0.000 0.000 -14.098) 14.098 3.998 ( 0.000 0.000 -10.758) 10.758 4.033 ( 0.000 0.000 8.476) 8.476 4.086 ( 0.000 0.000 -4.818) 4.818 4.562 ( 0.000 0.000 -0.606) 0.606 5.171 ( 0.000 0.000 4.955) 4.955 5.842 ( 0.000 0.000 -15.618) 15.618 6.009 ( 0.000 0.000 -6.721) 6.721 6.075 ( 0.000 0.000 14.777) 14.777 6.316 ( 0.000 0.000 -8.315) 8.315 6.569 ( 0.000 0.000 -5.512) 5.512 6.689 ( 0.000 0.000 3.459) 3.459 7.353 ( 0.000 0.000 -23.993) 23.993 7.726 ( 0.000 0.000 17.787) 17.787 7.923 ( 0.000 0.000 -19.508) 19.508 8.467 ( 0.000 0.000 32.939) 32.939 8.530 ( 0.000 0.000 0.493) 0.493 8.744 ( 0.000 0.000 -10.026) 10.026 8.799 ( 0.000 0.000 -1.274) 1.274 9.083 ( 0.000 0.000 -1.192) 1.192 9.278 ( 0.000 0.000 3.304) 3.304 9.969 ( 0.000 0.000 -0.806) 0.806 10.082 ( 0.000 0.000 7.703) 7.703 10.425 ( 0.000 0.000 8.233) 8.233 10.463 ( 0.000 0.000 -1.809) 1.809 10.548 ( 0.000 0.000 3.006) 3.006 10.692 ( 0.000 0.000 16.789) 16.789 10.906 ( 0.000 0.000 -14.514) 14.514 11.263 ( 0.000 0.000 -8.346) 8.346 11.316 ( 0.000 0.000 -2.169) 2.169 11.539 ( 0.000 0.000 3.493) 3.493 12.310 ( 0.000 0.000 -17.022) 17.022 12.600 ( 0.000 0.000 -14.871) 14.871 12.817 ( 0.000 0.000 -6.126) 6.126 12.919 ( 0.000 0.000 7.185) 7.185 12.985 ( 0.000 0.000 -10.481) 10.481 13.479 ( 0.000 0.000 -18.563) 18.563 13.510 ( 0.000 0.000 -2.858) 2.858 13.714 ( 0.000 0.000 -1.447) 1.447 13.860 ( 0.000 0.000 -0.905) 0.905 14.276 ( 0.000 0.000 6.952) 6.952 14.565 ( 0.000 0.000 -9.470) 9.470 14.622 ( 0.000 0.000 -9.793) 9.793 14.706 ( 0.000 0.000 -1.798) 1.798 14.782 ( 0.000 0.000 -4.213) 4.213 15.640 ( 0.000 0.000 14.853) 14.853 15.828 ( 0.000 0.000 17.474) 17.474 16.009 ( 0.000 0.000 2.281) 2.281 16.847 ( 0.000 0.000 10.448) 10.448 18.438 ( 0.000 0.000 18.737) 18.737 19.660 ( 0.000 0.000 1.113) 1.113 19.704 ( 0.000 0.000 -2.161) 2.161 20.363 ( 0.000 0.000 -6.465) 6.465 ======================= Grid point 127 (42/100) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 12.651 0.000 22.305) 25.642 1.864 ( 23.560 0.000 28.058) 36.637 2.720 ( -5.927 0.000 -11.813) 13.217 3.182 ( 5.580 0.000 -9.179) 10.742 3.220 ( 16.929 0.000 43.935) 47.084 3.633 ( -3.064 0.000 0.921) 3.200 3.643 ( -1.302 0.000 2.563) 2.874 3.744 ( -2.150 0.000 -11.199) 11.403 4.005 ( -3.184 0.000 -6.069) 6.853 4.056 ( 3.254 0.000 9.768) 10.296 4.142 ( 9.261 0.000 -2.768) 9.666 4.546 ( 0.770 0.000 -3.092) 3.187 5.191 ( 1.478 0.000 5.956) 6.136 5.746 ( -5.458 0.000 -4.041) 6.791 5.899 ( -10.791 0.000 -4.517) 11.698 6.170 ( -9.148 0.000 2.863) 9.586 6.192 ( 8.466 0.000 2.105) 8.724 6.705 ( 1.695 0.000 1.824) 2.490 6.711 ( 9.291 0.000 -16.714) 19.122 7.345 ( -0.543 0.000 -20.637) 20.644 7.741 ( 0.391 0.000 16.590) 16.595 7.897 ( -2.408 0.000 -15.250) 15.439 8.264 ( -14.905 0.000 10.361) 18.153 8.633 ( 8.890 0.000 -1.801) 9.070 8.774 ( 2.419 0.000 -9.093) 9.410 9.004 ( 11.969 0.000 16.023) 20.000 9.059 ( -4.286 0.000 0.472) 4.311 9.125 ( -13.018 0.000 2.470) 13.250 9.817 ( -9.747 0.000 -9.344) 13.503 9.896 ( -5.715 0.000 12.456) 13.705 10.325 ( -9.495 0.000 -3.254) 10.037 10.642 ( 4.750 0.000 5.087) 6.959 10.680 ( 10.081 0.000 5.088) 11.292 10.803 ( 9.718 0.000 5.549) 11.191 10.970 ( 7.718 0.000 -7.796) 10.970 11.103 ( -7.277 0.000 -2.525) 7.703 11.377 ( 1.161 0.000 1.066) 1.576 11.691 ( 11.705 0.000 0.592) 11.720 12.091 ( -17.806 0.000 -10.774) 20.812 12.563 ( -0.666 0.000 -11.436) 11.455 12.788 ( -7.658 0.000 0.765) 7.696 12.900 ( 3.055 0.000 -8.320) 8.863 13.131 ( 9.152 0.000 -3.905) 9.951 13.441 ( -2.077 0.000 -11.693) 11.876 13.536 ( -0.488 0.000 -10.242) 10.254 13.712 ( -0.142 0.000 -1.698) 1.704 13.866 ( 0.588 0.000 -0.631) 0.862 14.257 ( -1.847 0.000 5.586) 5.883 14.428 ( -5.704 0.000 -4.424) 7.219 14.636 ( 1.266 0.000 -8.725) 8.817 14.773 ( -0.916 0.000 -3.907) 4.013 14.791 ( 3.272 0.000 -3.488) 4.782 15.710 ( 4.161 0.000 14.274) 14.868 15.812 ( 0.505 0.000 8.019) 8.035 16.081 ( 4.679 0.000 4.688) 6.623 16.801 ( -2.999 0.000 12.678) 13.027 18.481 ( 4.327 0.000 17.203) 17.739 19.640 ( -1.718 0.000 -0.760) 1.878 19.674 ( -3.058 0.000 -2.944) 4.244 20.387 ( 0.929 0.000 -9.454) 9.499 ======================= Grid point 128 (43/100) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 10.204 0.000 3.690) 10.850 2.330 ( 22.421 0.000 23.492) 32.474 2.545 ( -11.922 0.000 -14.533) 18.798 3.230 ( -0.457 0.000 -5.469) 5.488 3.403 ( -1.217 0.000 -9.421) 9.500 3.609 ( 1.407 0.000 5.944) 6.109 3.640 ( -3.977 0.000 2.822) 4.876 3.842 ( 5.910 0.000 -2.946) 6.604 3.978 ( 11.705 0.000 20.351) 23.477 4.194 ( 10.815 0.000 11.397) 15.712 4.404 ( 15.531 0.000 -0.095) 15.531 4.662 ( 13.405 0.000 -2.669) 13.668 5.198 ( -1.541 0.000 8.689) 8.824 5.616 ( -17.015 0.000 -0.786) 17.033 5.722 ( 4.086 0.000 0.041) 4.086 6.054 ( -1.703 0.000 2.814) 3.289 6.358 ( 8.435 0.000 -5.704) 10.183 6.752 ( 2.798 0.000 -2.177) 3.545 6.862 ( 5.585 0.000 -18.395) 19.225 7.347 ( 0.579 0.000 -5.016) 5.049 7.713 ( -2.440 0.000 5.693) 6.193 7.854 ( -1.153 0.000 -9.835) 9.903 7.921 ( -20.758 0.000 -0.144) 20.758 8.751 ( -4.615 0.000 2.014) 5.035 8.785 ( -4.230 0.000 -2.270) 4.801 8.880 ( 1.497 0.000 -5.440) 5.643 9.004 ( -3.918 0.000 -5.664) 6.887 9.018 ( -11.306 0.000 -4.915) 12.328 9.833 ( 12.586 0.000 1.675) 12.697 9.840 ( -4.065 0.000 8.668) 9.574 10.214 ( 0.504 0.000 -5.088) 5.113 10.553 ( -11.874 0.000 7.786) 14.199 10.819 ( 1.732 0.000 3.492) 3.898 10.932 ( 3.705 0.000 -12.558) 13.093 11.084 ( 6.937 0.000 4.815) 8.444 11.195 ( 12.435 0.000 4.764) 13.316 11.395 ( 1.248 0.000 3.869) 4.065 11.795 ( -10.251 0.000 -0.533) 10.265 11.893 ( 8.007 0.000 3.958) 8.932 12.556 ( -0.437 0.000 -9.566) 9.576 12.640 ( -7.676 0.000 0.832) 7.721 12.906 ( -1.579 0.000 -5.184) 5.419 13.312 ( 9.181 0.000 -3.641) 9.877 13.388 ( -4.263 0.000 -6.074) 7.421 13.448 ( -7.410 0.000 -11.497) 13.678 13.711 ( 0.069 0.000 -2.309) 2.310 13.887 ( 1.620 0.000 -0.060) 1.622 14.207 ( -3.320 0.000 2.920) 4.422 14.434 ( 5.481 0.000 -7.493) 9.284 14.662 ( 1.148 0.000 -6.466) 6.567 14.748 ( -1.558 0.000 -3.128) 3.494 14.826 ( 0.884 0.000 -2.712) 2.852 15.734 ( -0.116 0.000 9.932) 9.933 15.862 ( 2.299 0.000 1.581) 2.790 16.142 ( 2.426 0.000 8.570) 8.906 16.773 ( -0.563 0.000 14.433) 14.444 18.605 ( 8.232 0.000 12.803) 15.221 19.585 ( -6.026 0.000 -4.618) 7.592 19.612 ( -0.539 0.000 -5.795) 5.820 20.350 ( -5.066 0.000 -12.218) 13.226 ======================= Grid point 129 (44/100) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -3.547 0.000 -15.567) 15.966 2.268 ( -15.748 0.000 -16.670) 22.932 2.734 ( 19.160 0.000 19.413) 27.276 3.285 ( 7.912 0.000 6.311) 10.121 3.375 ( 0.398 0.000 -11.889) 11.896 3.530 ( -7.039 0.000 6.748) 9.751 3.651 ( 1.562 0.000 4.266) 4.543 3.754 ( -7.985 0.000 -10.476) 13.172 4.301 ( 12.346 0.000 6.671) 14.033 4.442 ( 13.549 0.000 13.222) 18.931 4.631 ( 7.395 0.000 -4.619) 8.719 5.101 ( 22.473 0.000 9.505) 24.401 5.115 ( -6.953 0.000 11.890) 13.774 5.311 ( -10.509 0.000 5.356) 11.795 5.914 ( 15.145 0.000 -0.801) 15.166 6.151 ( 13.826 0.000 -3.677) 14.306 6.521 ( 8.167 0.000 -8.160) 11.545 6.786 ( -0.299 0.000 -6.294) 6.301 6.927 ( 1.591 0.000 -12.518) 12.619 7.302 ( -5.359 0.000 15.545) 16.443 7.452 ( -26.392 0.000 -1.469) 26.433 7.768 ( 9.975 0.000 -16.623) 19.386 7.889 ( 5.431 0.000 -12.473) 13.604 8.467 ( -22.779 0.000 -4.406) 23.201 8.629 ( -11.276 0.000 -4.158) 12.018 8.712 ( -17.528 0.000 -23.873) 29.617 8.951 ( 5.034 0.000 -5.688) 7.596 9.057 ( 6.537 0.000 -1.867) 6.798 9.726 ( -6.018 0.000 6.252) 8.678 10.146 ( -16.483 0.000 3.080) 16.769 10.155 ( 17.441 0.000 9.786) 19.999 10.425 ( 7.952 0.000 -4.799) 9.288 10.787 ( -3.772 0.000 1.901) 4.224 10.954 ( -1.769 0.000 -12.910) 13.031 11.286 ( 10.800 0.000 10.908) 15.350 11.410 ( 9.429 0.000 8.061) 12.405 11.439 ( 3.363 0.000 6.150) 7.010 11.686 ( -2.406 0.000 7.573) 7.946 12.003 ( 4.097 0.000 6.887) 8.013 12.479 ( -9.023 0.000 1.844) 9.209 12.554 ( 0.747 0.000 -7.875) 7.911 12.855 ( -3.982 0.000 -4.216) 5.799 13.247 ( -7.318 0.000 -1.561) 7.483 13.337 ( -4.646 0.000 -6.495) 7.986 13.484 ( 8.202 0.000 -4.109) 9.174 13.714 ( 0.115 0.000 -3.115) 3.117 13.927 ( 2.415 0.000 0.407) 2.449 14.130 ( -4.424 0.000 0.769) 4.491 14.570 ( 7.024 0.000 -10.993) 13.046 14.677 ( 0.348 0.000 -4.089) 4.103 14.717 ( -1.566 0.000 -2.209) 2.708 14.829 ( -0.977 0.000 -4.717) 4.817 15.752 ( 2.590 0.000 1.299) 2.897 15.880 ( 0.100 0.000 0.237) 0.257 16.214 ( 5.253 0.000 14.021) 14.973 16.724 ( -5.362 0.000 16.354) 17.210 18.795 ( 10.968 0.000 6.499) 12.749 19.440 ( -8.770 0.000 -5.552) 10.379 19.642 ( 4.059 0.000 -11.420) 12.120 20.197 ( -10.070 0.000 -13.719) 17.018 ======================= Grid point 130 (45/100) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -1.158 0.000 -21.130) 21.161 1.988 ( -10.928 0.000 -19.740) 22.563 3.081 ( 16.248 0.000 15.314) 22.327 3.354 ( -11.389 0.000 12.148) 16.652 3.435 ( 5.537 0.000 -11.848) 13.078 3.486 ( 10.314 0.000 6.476) 12.179 3.580 ( -8.918 0.000 -12.447) 15.312 3.632 ( -4.134 0.000 4.037) 5.778 4.487 ( 8.318 0.000 -0.073) 8.318 4.642 ( -6.216 0.000 -5.303) 8.171 4.702 ( 12.876 0.000 15.059) 19.813 4.937 ( -10.927 0.000 14.368) 18.051 5.231 ( 6.030 0.000 10.266) 11.906 5.345 ( -1.318 0.000 7.819) 7.929 6.285 ( 21.700 0.000 -0.580) 21.708 6.583 ( 23.836 0.000 -4.120) 24.189 6.631 ( -4.923 0.000 0.004) 4.923 6.740 ( 1.744 0.000 -13.477) 13.590 6.889 ( -7.906 0.000 -1.586) 8.063 6.963 ( -20.230 0.000 -7.969) 21.743 7.328 ( 14.628 0.000 0.991) 14.662 7.836 ( -27.124 0.000 -8.452) 28.410 8.073 ( 13.021 0.000 -18.707) 22.793 8.100 ( 10.208 0.000 -15.057) 18.191 8.372 ( -16.884 0.000 -24.662) 29.888 8.384 ( -14.186 0.000 -8.706) 16.645 9.077 ( 6.723 0.000 -0.076) 6.724 9.148 ( 0.992 0.000 0.913) 1.348 9.659 ( 0.967 0.000 4.624) 4.724 9.813 ( -14.206 0.000 3.248) 14.573 10.462 ( 13.479 0.000 6.571) 14.995 10.648 ( 12.189 0.000 -8.850) 15.063 10.673 ( -8.158 0.000 2.676) 8.586 10.855 ( -8.270 0.000 -11.151) 13.883 11.448 ( 5.556 0.000 14.383) 15.419 11.497 ( 0.914 0.000 10.605) 10.644 11.561 ( 5.996 0.000 10.058) 11.709 11.645 ( -2.758 0.000 10.448) 10.805 12.104 ( 7.382 0.000 5.416) 9.155 12.287 ( -10.353 0.000 3.329) 10.875 12.607 ( 4.932 0.000 -6.786) 8.389 12.736 ( -7.516 0.000 -5.957) 9.590 13.185 ( 0.964 0.000 1.116) 1.475 13.247 ( -4.424 0.000 -1.059) 4.549 13.624 ( 5.833 0.000 -4.556) 7.401 13.701 ( -2.007 0.000 -4.066) 4.534 13.978 ( 2.809 0.000 0.446) 2.844 14.044 ( -4.052 0.000 0.118) 4.054 14.680 ( 0.235 0.000 -2.353) 2.365 14.690 ( 5.276 0.000 -10.605) 11.845 14.691 ( -0.945 0.000 -1.731) 1.972 14.780 ( -3.838 0.000 -8.041) 8.910 15.824 ( 3.720 0.000 -3.781) 5.304 15.872 ( -1.196 0.000 -2.827) 3.070 16.356 ( 9.457 0.000 18.313) 20.611 16.562 ( -10.520 0.000 18.350) 21.152 19.021 ( 11.868 0.000 0.191) 11.869 19.246 ( -10.933 0.000 -4.137) 11.690 19.774 ( 9.138 0.000 -14.612) 17.234 19.981 ( -11.483 0.000 -14.890) 18.803 ======================= Grid point 135 (46/100) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 0.000 17.611 26.821) 32.086 1.775 ( 0.000 16.752 27.354) 32.076 2.711 ( 0.000 -6.216 -6.499) 8.993 2.962 ( 0.000 0.804 13.011) 13.035 3.358 ( 0.000 12.150 21.114) 24.360 3.519 ( 0.000 -5.609 5.393) 7.781 3.638 ( 0.000 -2.972 -16.657) 16.920 3.866 ( 0.000 -9.634 -1.672) 9.778 4.042 ( 0.000 16.832 -11.387) 20.322 4.159 ( 0.000 8.719 -4.399) 9.766 4.227 ( 0.000 10.148 4.817) 11.233 4.535 ( 0.000 4.506 -4.002) 6.027 5.178 ( 0.000 -0.110 8.384) 8.385 5.748 ( 0.000 -10.414 -8.080) 13.181 5.952 ( 0.000 -6.554 -13.314) 14.840 6.087 ( 0.000 -6.087 5.123) 7.956 6.274 ( 0.000 3.384 -10.558) 11.087 6.406 ( 0.000 -3.848 12.337) 12.923 6.970 ( 0.000 21.838 4.514) 22.300 7.193 ( 0.000 -9.680 -23.657) 25.561 7.662 ( 0.000 -6.248 19.000) 20.001 8.098 ( 0.000 3.799 -23.648) 23.951 8.311 ( 0.000 -11.597 23.540) 26.241 8.604 ( 0.000 5.306 2.184) 5.738 8.727 ( 0.000 4.683 -7.353) 8.718 8.965 ( 0.000 8.289 3.231) 8.897 9.017 ( 0.000 -3.792 -2.242) 4.405 9.354 ( 0.000 5.643 6.713) 8.769 9.867 ( 0.000 -12.086 8.004) 14.496 10.025 ( 0.000 3.746 -0.721) 3.814 10.340 ( 0.000 -7.294 10.066) 12.431 10.512 ( 0.000 5.968 -4.159) 7.274 10.623 ( 0.000 -5.902 15.549) 16.631 10.729 ( 0.000 8.482 -0.807) 8.520 10.888 ( 0.000 -1.329 -12.667) 12.737 11.318 ( 0.000 3.447 -6.457) 7.319 11.413 ( 0.000 8.204 -2.840) 8.682 11.621 ( 0.000 7.497 3.343) 8.208 12.287 ( 0.000 -1.847 -18.998) 19.088 12.471 ( 0.000 -11.197 -11.680) 16.180 12.773 ( 0.000 -2.135 -4.857) 5.306 12.896 ( 0.000 -6.443 -9.190) 11.224 13.022 ( 0.000 7.458 4.340) 8.629 13.467 ( 0.000 -0.947 -17.902) 17.928 13.511 ( 0.000 0.465 -1.356) 1.434 13.755 ( 0.000 -6.573 -3.167) 7.296 13.857 ( 0.000 8.459 -2.276) 8.760 14.347 ( 0.000 6.384 5.343) 8.325 14.612 ( 0.000 -4.874 -7.262) 8.746 14.614 ( 0.000 3.733 -9.197) 9.926 14.642 ( 0.000 -0.160 -4.474) 4.477 14.827 ( 0.000 2.103 -4.199) 4.696 15.648 ( 0.000 0.611 12.092) 12.108 15.894 ( 0.000 6.050 16.857) 17.910 15.952 ( 0.000 -5.147 2.779) 5.850 16.760 ( 0.000 -7.745 12.424) 14.640 18.526 ( 0.000 7.876 16.923) 18.666 19.649 ( 0.000 -0.866 0.581) 1.043 19.683 ( 0.000 -1.960 -1.960) 2.771 20.059 ( 0.000 -23.967 3.620) 24.239 ======================= Grid point 136 (47/100) ======================= q-point: ( 0.11 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 12.003 14.540 22.585) 29.420 2.053 ( 20.921 15.883 22.727) 34.735 2.665 ( -3.850 -4.170 -6.051) 8.296 3.026 ( 4.101 -3.214 5.955) 7.913 3.349 ( -1.021 -0.421 1.239) 1.659 3.503 ( -0.714 -5.651 7.419) 9.353 3.723 ( 7.136 3.417 -7.972) 11.231 3.879 ( 0.871 -3.486 5.368) 6.459 3.985 ( -4.331 15.097 -7.144) 17.254 4.233 ( 7.304 7.961 -2.895) 11.185 4.282 ( 6.363 10.089 5.709) 13.224 4.496 ( -1.506 4.877 -3.434) 6.152 5.214 ( 3.026 1.068 8.415) 9.006 5.658 ( -7.529 -10.229 -2.711) 12.988 5.861 ( -7.199 -2.434 -6.358) 9.908 6.029 ( -4.844 -9.481 4.572) 11.587 6.314 ( 6.022 8.862 -5.313) 11.959 6.557 ( 9.650 -6.340 -5.620) 12.841 6.972 ( 0.352 17.694 2.526) 17.876 7.205 ( 1.398 -6.301 -18.295) 19.400 7.635 ( -3.236 -8.051 14.564) 16.953 8.030 ( -6.022 3.197 -19.250) 20.422 8.247 ( -4.235 -4.653 17.200) 18.315 8.704 ( 8.024 2.760 -0.800) 8.523 8.771 ( 3.286 3.702 -6.971) 8.550 8.952 ( -3.123 1.322 3.937) 5.196 8.992 ( -3.258 -2.959 -2.924) 5.284 9.353 ( -3.196 12.777 10.841) 17.058 9.794 ( -2.922 -7.669 10.297) 13.167 9.899 ( -7.798 6.329 -7.577) 12.580 10.321 ( -10.590 -0.482 -4.112) 11.370 10.447 ( 8.628 -10.417 5.632) 14.652 10.730 ( 6.945 -4.605 9.822) 12.880 10.823 ( 3.699 5.819 4.206) 8.077 10.933 ( 2.679 -1.175 -8.890) 9.359 11.256 ( -0.694 8.401 -2.799) 8.883 11.468 ( 2.238 6.947 -0.734) 7.336 11.736 ( 9.402 4.383 1.873) 10.541 12.086 ( -17.142 0.436 -13.029) 21.536 12.449 ( -0.072 -9.982 -9.659) 13.890 12.782 ( -6.757 -0.988 -3.496) 7.672 12.827 ( 2.304 -4.959 -6.709) 8.655 13.167 ( 8.854 1.977 -1.907) 9.270 13.402 ( -3.147 -1.173 -9.926) 10.479 13.514 ( -3.777 -2.844 -8.307) 9.558 13.761 ( 0.904 -3.175 -4.160) 5.311 13.867 ( 1.326 7.065 -1.807) 7.412 14.316 ( -3.194 4.734 3.309) 6.600 14.480 ( -3.676 3.558 -3.652) 6.285 14.651 ( 1.598 1.023 -8.930) 9.130 14.707 ( 1.646 -2.376 -4.255) 5.143 14.856 ( 1.776 2.816 -4.091) 5.275 15.701 ( 3.611 -0.891 11.599) 12.181 15.843 ( -1.608 2.135 7.229) 7.707 16.040 ( 4.847 -2.682 8.101) 9.814 16.721 ( -2.555 -7.112 13.786) 15.721 18.566 ( 4.091 7.738 15.552) 17.846 19.629 ( -1.785 -0.975 -1.107) 2.316 19.657 ( -2.751 -1.540 -2.921) 4.298 20.112 ( 3.738 -22.370 -1.333) 22.720 ======================= Grid point 137 (48/100) ======================= q-point: ( 0.22 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 7.974 14.541 7.606) 18.245 2.417 ( 11.344 4.059 14.750) 19.046 2.598 ( 0.262 5.822 1.798) 6.099 3.067 ( 2.037 -7.523 -2.159) 8.087 3.324 ( -0.907 -5.750 -10.162) 11.711 3.523 ( 2.364 -6.059 6.096) 8.914 3.767 ( -2.618 -4.443 -9.864) 11.131 3.821 ( -6.765 9.319 -3.923) 12.165 4.074 ( 11.560 8.962 13.291) 19.764 4.404 ( 8.849 7.219 0.877) 11.454 4.450 ( 7.487 -1.893 0.205) 7.725 4.622 ( 18.373 12.443 6.724) 23.186 5.237 ( -3.737 -0.753 5.159) 6.415 5.517 ( -4.193 -5.520 6.005) 9.171 5.769 ( 0.311 3.705 -1.202) 3.907 5.975 ( 0.551 -6.502 2.150) 6.871 6.459 ( 7.898 7.645 -10.529) 15.221 6.698 ( 4.372 -4.234 -11.926) 13.389 6.992 ( 1.496 8.095 2.904) 8.730 7.240 ( 0.847 0.363 -4.712) 4.801 7.558 ( -1.718 -9.018 -4.478) 10.214 7.908 ( -5.420 2.190 -14.277) 15.428 8.165 ( -6.492 9.928 13.764) 18.171 8.712 ( -10.052 -4.306 2.550) 11.229 8.777 ( -7.690 -0.616 -5.638) 9.555 8.881 ( -2.184 -5.158 -9.148) 10.727 8.967 ( 5.010 10.095 -5.815) 12.682 9.147 ( -12.670 7.424 -1.051) 14.722 9.772 ( -2.519 -5.818 7.570) 9.875 9.927 ( 7.866 5.637 3.505) 10.293 10.220 ( 3.350 1.217 -6.222) 7.170 10.498 ( -5.842 -4.175 5.655) 9.140 10.837 ( 0.342 -0.464 -5.929) 5.957 10.936 ( 2.500 2.929 1.330) 4.074 10.948 ( 9.959 -7.870 9.911) 16.105 11.314 ( 4.923 7.021 2.367) 8.896 11.503 ( 1.467 5.048 1.221) 5.397 11.789 ( -9.740 2.612 -1.557) 10.204 11.901 ( 5.809 0.895 2.630) 6.439 12.457 ( 0.556 -8.324 -7.426) 11.169 12.646 ( -7.210 0.056 -3.060) 7.832 12.841 ( -0.585 -4.743 -4.119) 6.309 13.256 ( -1.038 -8.091 -6.593) 10.489 13.354 ( -11.112 -6.365 -6.894) 14.543 13.426 ( 6.518 5.169 -3.817) 9.153 13.777 ( 0.579 2.769 -5.202) 5.921 13.907 ( 2.393 3.762 -1.075) 4.586 14.238 ( -4.367 2.400 1.282) 5.145 14.496 ( 4.116 4.524 -6.496) 8.922 14.680 ( 1.169 0.731 -6.537) 6.681 14.723 ( 0.477 0.006 -3.587) 3.618 14.871 ( -0.211 2.912 -3.294) 4.402 15.729 ( -0.095 -0.740 9.187) 9.217 15.860 ( 2.093 -0.095 1.630) 2.655 16.103 ( 2.299 -2.873 11.034) 11.631 16.695 ( -0.746 -7.097 14.501) 16.162 18.683 ( 7.693 7.196 11.416) 15.533 19.576 ( -5.519 -0.776 -4.809) 7.362 19.598 ( -0.881 -1.301 -5.751) 5.962 20.141 ( -1.520 -17.881 -7.596) 19.487 ======================= Grid point 138 (49/100) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -5.616 10.856 -6.110) 13.664 2.330 ( -12.347 5.240 -7.579) 15.406 2.843 ( 17.454 5.566 18.140) 25.782 3.196 ( 10.203 -3.144 4.626) 11.636 3.335 ( 2.503 -3.163 -9.893) 10.684 3.541 ( -2.198 -3.286 3.360) 5.188 3.686 ( -4.891 -1.793 -4.943) 7.181 3.698 ( -4.954 2.694 -2.527) 6.179 4.256 ( 6.976 0.684 4.081) 8.111 4.557 ( 6.605 -3.712 -1.308) 7.689 4.581 ( 5.430 -1.600 4.004) 6.934 4.917 ( -4.830 1.166 6.785) 8.410 5.167 ( 10.624 -2.532 6.690) 12.808 5.536 ( 2.773 16.213 15.685) 22.729 5.913 ( 14.100 0.742 -3.438) 14.532 6.100 ( 13.510 -5.062 -5.407) 15.407 6.577 ( 2.687 1.945 -11.223) 11.703 6.774 ( 5.641 2.467 -10.754) 12.392 7.007 ( 0.684 2.656 4.118) 4.948 7.187 ( -5.381 5.806 -1.398) 8.038 7.664 ( 9.281 -3.395 -14.859) 17.845 7.781 ( -13.004 7.924 -4.872) 15.989 7.978 ( -3.821 9.321 -2.609) 10.406 8.415 ( -18.854 -3.641 -11.833) 22.555 8.570 ( -11.816 -2.806 -5.358) 13.275 8.825 ( -15.159 7.832 -14.206) 22.202 8.911 ( 4.578 -3.762 -3.879) 7.082 9.135 ( 5.388 6.680 -0.815) 8.621 9.687 ( -4.256 -3.247 5.412) 7.612 10.101 ( 4.085 -1.970 4.781) 6.590 10.254 ( -7.339 5.092 6.222) 10.885 10.439 ( 12.100 2.574 -2.835) 12.691 10.803 ( -4.223 -1.916 -4.576) 6.515 10.921 ( -1.412 1.594 -2.079) 2.976 11.232 ( 14.305 -6.944 11.480) 19.612 11.416 ( 5.436 5.941 7.171) 10.783 11.517 ( 0.037 -3.144 6.153) 6.910 11.705 ( -0.824 7.101 4.931) 8.684 11.979 ( 3.099 -1.662 4.642) 5.824 12.438 ( -5.532 -4.239 -1.553) 7.141 12.527 ( -1.755 -1.663 -6.204) 6.659 12.816 ( -2.325 -3.464 -3.127) 5.214 13.133 ( -9.665 -9.395 -3.626) 13.958 13.196 ( -4.174 -10.380 -4.025) 11.890 13.582 ( 8.104 6.857 -3.031) 11.040 13.789 ( 0.580 5.066 -5.162) 7.256 13.951 ( 2.035 2.239 -0.199) 3.033 14.148 ( -4.848 1.501 0.109) 5.076 14.590 ( 4.740 1.516 -8.654) 9.983 14.693 ( 0.179 -0.012 -4.621) 4.624 14.731 ( 0.289 2.855 -3.963) 4.893 14.848 ( -2.197 1.558 -4.357) 5.122 15.752 ( 3.129 0.075 2.354) 3.916 15.886 ( 0.571 0.688 0.828) 1.219 16.166 ( 4.670 -3.997 14.399) 15.656 16.645 ( -5.136 -7.160 15.631) 17.943 18.858 ( 10.034 5.927 5.394) 12.841 19.443 ( -7.986 0.372 -5.909) 9.941 19.615 ( 3.064 -2.427 -10.915) 11.594 20.052 ( -7.089 -12.771 -11.253) 18.439 ======================= Grid point 139 (50/100) ======================= q-point: ( 0.44 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -1.170 10.713 -10.251) 14.874 2.099 ( -9.190 9.229 -9.973) 16.405 3.157 ( 13.905 4.065 12.519) 19.147 3.342 ( -0.457 -2.100 5.468) 5.875 3.431 ( 3.816 -1.122 -7.838) 8.790 3.455 ( -0.270 -0.585 0.409) 0.763 3.581 ( -3.883 -0.161 -6.319) 7.419 3.627 ( -4.149 -0.990 5.757) 7.165 4.388 ( 7.469 -4.093 0.936) 8.568 4.550 ( -7.432 -6.598 -2.518) 10.252 4.691 ( 4.641 -8.049 7.373) 11.861 4.760 ( -4.243 -7.277 10.744) 13.653 5.388 ( 8.803 9.206 8.961) 15.574 5.523 ( -4.520 16.478 11.844) 20.791 6.249 ( 16.681 -2.845 -3.407) 17.261 6.389 ( 7.293 -12.795 -6.931) 16.277 6.596 ( 4.681 1.284 -6.233) 7.900 6.826 ( -9.159 8.240 -9.542) 15.583 7.099 ( 8.202 16.681 -5.066) 19.266 7.181 ( 12.760 5.221 -7.457) 15.674 7.400 ( -12.710 11.046 -2.311) 16.997 7.724 ( -20.538 -7.517 -13.799) 25.859 8.049 ( 10.481 -4.121 -15.298) 18.996 8.218 ( 9.009 10.926 -11.701) 18.370 8.313 ( -14.168 -4.078 -10.135) 17.891 8.508 ( -16.692 8.975 -14.693) 23.980 9.051 ( 8.309 -2.649 1.621) 8.871 9.174 ( -2.616 1.592 2.004) 3.660 9.675 ( 4.455 2.354 3.372) 6.063 9.868 ( -14.383 5.458 2.292) 15.553 10.429 ( 13.315 -3.941 3.424) 14.302 10.653 ( -4.884 -1.974 -3.264) 6.198 10.695 ( 6.317 2.671 -0.262) 6.863 10.856 ( -5.820 2.885 -2.442) 6.939 11.435 ( 5.554 -7.003 9.683) 13.178 11.492 ( -0.757 -4.988 10.402) 11.561 11.559 ( 7.090 5.085 11.367) 14.330 11.673 ( -3.581 6.541 10.445) 12.834 12.074 ( 7.502 -1.799 2.117) 8.000 12.260 ( -10.490 -1.928 0.640) 10.685 12.578 ( 5.434 -2.832 -6.579) 8.990 12.715 ( -7.594 -2.203 -5.948) 9.895 13.046 ( 0.785 -11.271 1.058) 11.348 13.108 ( -4.445 -10.933 -0.357) 11.807 13.720 ( 5.643 7.110 -4.099) 9.960 13.788 ( -1.267 6.444 -4.974) 8.238 13.991 ( 2.321 1.074 0.107) 2.559 14.055 ( -4.319 0.938 -0.179) 4.423 14.668 ( 2.941 0.001 -5.165) 5.943 14.693 ( -0.160 0.765 -2.817) 2.924 14.738 ( 0.906 2.403 -6.650) 7.129 14.788 ( -3.599 0.666 -7.260) 8.130 15.833 ( 3.997 1.025 -2.165) 4.660 15.882 ( -1.123 1.232 -1.399) 2.176 16.297 ( 8.863 -5.312 17.306) 20.156 16.492 ( -9.967 -6.410 17.159) 20.854 19.064 ( 10.738 4.043 -0.629) 11.491 19.267 ( -9.886 2.042 -4.702) 11.136 19.720 ( 7.413 -4.822 -13.673) 16.283 19.887 ( -9.145 -8.340 -13.432) 18.266 ======================= Grid point 144 (51/100) ======================= q-point: ( 0.00 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 0.000 12.938 19.487) 23.391 2.192 ( 0.000 18.331 11.854) 21.829 2.598 ( 0.000 -0.736 4.260) 4.323 2.955 ( 0.000 -4.026 -6.784) 7.889 3.301 ( 0.000 -11.362 -1.288) 11.435 3.507 ( 0.000 -3.534 23.398) 23.663 3.624 ( 0.000 -6.549 -7.901) 10.262 3.719 ( 0.000 5.491 -5.914) 8.070 4.337 ( 0.000 9.452 2.049) 9.671 4.344 ( 0.000 10.470 -19.238) 21.902 4.498 ( 0.000 17.405 -3.760) 17.806 4.908 ( 0.000 23.696 -8.480) 25.168 5.164 ( 0.000 -1.953 7.430) 7.682 5.436 ( 0.000 -15.443 4.377) 16.052 5.758 ( 0.000 -11.141 -12.384) 16.658 5.764 ( 0.000 -17.442 8.418) 19.367 6.456 ( 0.000 11.163 -15.965) 19.480 6.578 ( 0.000 13.920 17.640) 22.471 6.992 ( 0.000 -8.928 -19.622) 21.558 7.391 ( 0.000 -7.768 17.328) 18.989 7.577 ( 0.000 22.157 10.286) 24.428 8.027 ( 0.000 -6.036 -11.965) 13.401 8.067 ( 0.000 -9.374 10.951) 14.415 8.655 ( 0.000 -15.720 -0.913) 15.747 8.742 ( 0.000 7.351 -0.081) 7.352 8.952 ( 0.000 0.224 -8.820) 8.823 9.232 ( 0.000 12.638 8.410) 15.180 9.452 ( 0.000 2.529 8.239) 8.618 9.712 ( 0.000 -1.585 3.858) 4.171 9.984 ( 0.000 -8.640 2.189) 8.913 10.278 ( 0.000 2.817 9.456) 9.866 10.477 ( 0.000 -6.835 13.418) 15.059 10.682 ( 0.000 7.684 -12.030) 14.274 10.812 ( 0.000 0.137 -5.668) 5.669 10.894 ( 0.000 4.175 -2.761) 5.005 11.306 ( 0.000 -5.791 -0.526) 5.815 11.624 ( 0.000 11.233 -4.067) 11.947 11.831 ( 0.000 11.583 1.352) 11.661 12.180 ( 0.000 -14.069 -7.909) 16.140 12.232 ( 0.000 -5.153 -15.911) 16.725 12.750 ( 0.000 -0.110 -5.998) 5.999 12.788 ( 0.000 -2.918 -8.763) 9.236 13.192 ( 0.000 7.870 -0.824) 7.913 13.454 ( 0.000 0.339 -13.151) 13.156 13.478 ( 0.000 -5.125 -8.414) 9.852 13.595 ( 0.000 -5.870 2.938) 6.564 14.070 ( 0.000 10.425 -5.242) 11.669 14.466 ( 0.000 -7.960 -4.268) 9.032 14.517 ( 0.000 8.720 1.280) 8.813 14.662 ( 0.000 0.814 -7.209) 7.254 14.690 ( 0.000 3.258 -8.001) 8.638 14.840 ( 0.000 -1.243 -4.595) 4.761 15.661 ( 0.000 0.784 7.825) 7.864 15.816 ( 0.000 -6.787 4.199) 7.981 16.068 ( 0.000 10.016 17.065) 19.787 16.551 ( 0.000 -11.331 15.689) 19.353 18.751 ( 0.000 13.006 14.062) 19.155 19.497 ( 0.000 -21.452 10.879) 24.053 19.631 ( 0.000 -0.591 -0.633) 0.866 19.672 ( 0.000 -4.024 -1.211) 4.202 ======================= Grid point 145 (52/100) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 7.336 10.007 18.088) 21.935 2.354 ( 7.728 6.009 8.667) 13.075 2.647 ( 6.976 8.780 9.013) 14.387 3.019 ( 5.477 -2.076 -8.321) 10.176 3.255 ( -3.460 -8.143 0.350) 8.855 3.408 ( -8.599 3.237 8.179) 12.301 3.685 ( 5.439 -13.811 3.021) 15.147 3.773 ( 3.675 -2.061 -7.476) 8.581 4.289 ( -3.094 11.916 -12.452) 17.510 4.372 ( 1.827 8.107 -6.124) 10.323 4.527 ( 2.411 15.003 -2.624) 15.420 4.909 ( 2.189 23.190 -3.043) 23.491 5.201 ( 0.887 -5.011 -1.134) 5.214 5.393 ( -1.783 -8.806 11.434) 14.542 5.735 ( 0.468 -9.605 0.419) 9.626 5.804 ( 2.181 -10.957 0.506) 11.183 6.493 ( 3.370 8.970 -14.725) 17.568 6.640 ( 5.747 12.467 10.328) 17.179 6.972 ( -1.606 -8.775 -14.969) 17.426 7.371 ( -2.209 -10.738 13.968) 17.757 7.581 ( 0.181 24.310 5.378) 24.898 7.987 ( -3.310 -4.332 -9.844) 11.253 8.068 ( 1.844 -9.038 9.463) 13.214 8.655 ( -1.063 -16.081 -1.795) 16.216 8.793 ( 3.558 5.603 -2.493) 7.090 8.937 ( -2.326 1.762 -6.650) 7.262 9.188 ( -2.164 12.209 6.053) 13.798 9.527 ( 4.010 -1.011 10.741) 11.510 9.711 ( -2.670 4.901 5.668) 7.954 9.988 ( -4.417 -0.292 -3.165) 5.442 10.240 ( 3.352 -5.402 3.082) 7.065 10.311 ( -8.822 -2.700 -2.556) 9.574 10.682 ( 3.571 1.125 5.040) 6.278 10.855 ( -1.834 -2.353 -7.633) 8.195 10.992 ( 7.079 6.315 5.754) 11.095 11.308 ( 0.906 -4.255 1.431) 4.580 11.639 ( 0.602 9.871 -3.399) 10.457 11.877 ( 3.739 8.317 1.068) 9.181 12.111 ( -9.982 -1.299 -10.742) 14.721 12.200 ( 1.534 -10.775 -8.601) 13.872 12.719 ( -2.904 -2.166 -7.205) 8.065 12.780 ( -0.721 -1.223 -6.507) 6.660 13.179 ( -3.269 -0.183 -4.947) 5.932 13.367 ( -7.631 -7.287 -7.690) 13.057 13.468 ( 1.877 4.086 -5.673) 7.239 13.678 ( 5.675 -3.692 -2.034) 7.069 14.063 ( -0.664 9.684 -4.923) 10.884 14.372 ( -5.864 -1.875 -2.429) 6.619 14.552 ( 1.011 4.038 -1.572) 4.450 14.650 ( 0.172 -0.393 -8.009) 8.021 14.736 ( 3.537 4.271 -5.598) 7.880 14.889 ( 3.100 -0.093 -5.018) 5.899 15.681 ( 1.591 -0.531 8.100) 8.271 15.809 ( -0.384 -5.392 3.843) 6.633 16.083 ( 1.187 7.416 16.011) 17.685 16.526 ( -1.872 -10.765 15.634) 19.074 18.791 ( 4.062 13.294 12.578) 18.746 19.542 ( 2.585 -16.430 5.192) 17.424 19.617 ( -1.504 -1.056 -2.435) 3.051 19.668 ( 0.496 -8.655 -0.559) 8.688 ======================= Grid point 146 (53/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 6.967 4.385 6.996) 10.804 2.414 ( 5.944 -2.103 12.932) 14.388 2.748 ( -2.667 10.952 19.955) 22.918 3.168 ( 10.335 10.523 -11.907) 18.956 3.215 ( 1.000 -2.937 -4.874) 5.778 3.304 ( -1.367 -9.149 5.792) 10.914 3.677 ( -3.689 -6.947 -1.982) 8.112 3.847 ( -0.251 -8.617 -4.570) 9.756 4.290 ( 3.118 10.006 -6.568) 12.369 4.394 ( 0.803 3.360 -9.422) 10.035 4.565 ( 1.245 8.672 0.085) 8.761 5.027 ( 0.998 -1.563 -1.470) 2.366 5.129 ( 1.934 11.487 -0.749) 11.673 5.474 ( 9.497 -0.472 9.417) 13.382 5.811 ( 6.734 -4.806 1.763) 8.459 5.867 ( 5.504 1.000 5.177) 7.622 6.559 ( 2.517 3.974 -10.370) 11.387 6.773 ( 6.812 10.848 -1.396) 12.885 6.950 ( 0.150 -7.269 -2.270) 7.617 7.343 ( 1.653 -11.441 -4.006) 12.234 7.580 ( -0.622 23.083 -1.017) 23.114 7.937 ( -1.092 2.137 -9.530) 9.827 8.161 ( 6.115 -7.797 9.927) 14.026 8.540 ( -12.232 -12.885 -4.101) 18.234 8.813 ( -7.943 2.610 -1.933) 8.581 8.820 ( -3.424 0.870 -5.332) 6.396 9.215 ( 3.320 9.431 5.513) 11.417 9.377 ( -17.503 13.226 -7.550) 23.201 9.638 ( -0.308 -4.730 4.333) 6.422 9.944 ( -1.575 -4.420 0.938) 4.785 10.276 ( 10.180 3.004 -4.109) 11.382 10.414 ( 4.756 -3.481 -0.118) 5.895 10.796 ( 2.664 -5.098 8.338) 10.129 10.805 ( 3.400 -2.424 0.076) 4.176 11.060 ( 0.690 7.279 7.698) 10.617 11.342 ( 1.502 -5.367 6.908) 8.876 11.619 ( -2.197 9.588 -2.751) 10.214 11.911 ( -2.436 2.857 2.453) 4.485 11.966 ( -0.786 6.759 -6.706) 9.554 12.249 ( 3.157 -9.843 -4.027) 11.094 12.640 ( -5.271 -0.245 -7.220) 8.943 12.757 ( -1.745 -2.818 -3.522) 4.837 13.070 ( -6.576 -7.767 -7.527) 12.658 13.167 ( -12.106 -9.593 -6.251) 16.663 13.573 ( 7.569 7.279 -2.310) 10.752 13.780 ( 4.684 -1.785 -3.710) 6.236 14.046 ( -0.970 7.721 -3.818) 8.668 14.267 ( -4.976 -0.667 -1.802) 5.334 14.578 ( 1.948 3.028 -5.334) 6.435 14.661 ( 0.818 -1.256 -6.497) 6.667 14.799 ( 2.248 5.339 -5.070) 7.698 14.918 ( -0.383 1.026 -4.412) 4.546 15.707 ( 1.336 -0.592 8.039) 8.171 15.827 ( 2.551 -3.908 2.931) 5.511 16.099 ( 0.277 4.224 14.862) 15.453 16.497 ( -1.325 -10.904 14.517) 18.204 18.899 ( 6.651 13.087 8.343) 16.885 19.544 ( -1.781 -4.722 -3.822) 6.331 19.565 ( -3.320 -0.813 -5.620) 6.577 19.712 ( 2.435 -18.573 -1.861) 18.824 ======================= Grid point 147 (54/100) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -2.870 7.698 4.227) 9.239 2.532 ( -7.899 15.266 8.015) 18.965 2.750 ( 13.482 -10.426 18.693) 25.297 3.258 ( 0.783 -6.810 8.412) 10.851 3.309 ( 4.371 -1.961 -3.085) 5.699 3.384 ( 7.789 5.001 -10.592) 14.067 3.606 ( -2.951 -5.625 -2.933) 6.997 3.769 ( -6.102 -1.138 -4.633) 7.746 4.321 ( 0.527 4.360 -3.871) 5.855 4.431 ( 2.164 -3.418 -1.471) 4.305 4.564 ( -1.973 1.923 3.412) 4.385 4.838 ( -11.784 -8.156 -2.285) 14.512 5.375 ( 14.607 16.079 3.195) 21.957 5.769 ( 18.375 3.447 4.600) 19.253 5.920 ( 5.075 -2.517 1.596) 5.885 6.042 ( 9.599 4.140 -2.190) 10.681 6.584 ( 1.035 1.691 -8.390) 8.621 6.880 ( 7.020 0.082 4.567) 8.375 7.033 ( 7.087 5.582 -13.742) 16.438 7.449 ( 3.802 -1.693 -10.479) 11.275 7.556 ( 1.594 11.530 -6.534) 13.348 7.922 ( -4.022 6.337 -12.445) 14.533 8.112 ( -15.554 -0.180 -0.791) 15.575 8.303 ( -5.017 -8.481 -9.380) 13.604 8.595 ( -10.467 5.552 -2.731) 12.159 8.810 ( 2.655 -4.997 0.867) 5.724 9.009 ( -16.102 9.088 -5.360) 19.251 9.270 ( -2.987 2.889 0.916) 4.255 9.651 ( 4.170 2.803 0.843) 5.095 10.022 ( 8.779 -6.276 1.634) 10.914 10.340 ( -8.888 4.127 0.967) 9.847 10.542 ( 11.920 3.908 -1.175) 12.599 10.709 ( -4.936 -2.885 0.212) 5.722 11.034 ( 5.717 -4.579 8.392) 11.139 11.058 ( 4.871 1.671 11.148) 12.280 11.327 ( -2.536 -9.022 11.162) 14.574 11.633 ( 4.574 11.205 0.437) 12.110 11.870 ( -1.260 4.089 4.823) 6.448 12.000 ( 3.111 5.308 -3.539) 7.098 12.296 ( 0.568 -8.434 -2.140) 8.720 12.524 ( -5.439 1.821 -5.999) 8.300 12.721 ( -1.609 -5.113 -1.900) 5.687 12.910 ( -11.470 -9.852 -7.188) 16.742 12.959 ( -6.570 -11.078 -2.480) 13.116 13.729 ( 7.937 6.481 -2.101) 10.460 13.861 ( 3.689 1.089 -4.435) 5.871 14.028 ( -0.876 4.944 -2.438) 5.581 14.171 ( -5.001 -0.027 -1.591) 5.248 14.625 ( 2.716 1.690 -6.407) 7.162 14.682 ( 1.380 -0.684 -5.757) 5.960 14.811 ( -1.010 3.696 -5.177) 6.441 14.878 ( -3.454 0.808 -4.220) 5.513 15.766 ( 4.988 1.543 5.086) 7.290 15.895 ( 3.832 -1.193 3.478) 5.310 16.102 ( 0.462 0.291 13.765) 13.776 16.445 ( -4.600 -10.999 13.782) 18.223 19.041 ( 7.621 11.188 2.559) 13.777 19.460 ( -5.758 1.281 -6.819) 9.016 19.544 ( 0.738 -4.469 -9.261) 10.310 19.722 ( -1.575 -16.459 -6.660) 17.825 ======================= Grid point 148 (55/100) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.829 14.456 5.168) 15.374 2.365 ( -6.713 16.677 6.763) 19.207 3.026 ( 12.607 -15.239 12.391) 23.339 3.211 ( -5.884 -15.996 11.446) 20.531 3.409 ( 5.013 1.451 -7.658) 9.267 3.469 ( 0.079 3.989 -9.272) 10.094 3.584 ( 1.394 0.234 -0.871) 1.660 3.652 ( -5.152 0.546 -0.703) 5.228 4.355 ( 3.392 0.570 -1.680) 3.828 4.440 ( -3.429 -1.632 0.215) 3.804 4.526 ( 1.861 -5.042 6.719) 8.604 4.636 ( -8.333 -4.674 2.745) 9.941 5.650 ( 13.048 13.356 4.367) 19.176 5.854 ( -6.605 13.721 9.081) 17.730 6.139 ( 9.458 -10.876 -7.093) 16.064 6.189 ( 4.465 -3.217 -4.504) 7.111 6.689 ( 13.311 7.630 -7.581) 17.114 7.027 ( -12.734 8.455 -12.592) 19.804 7.156 ( 18.719 -4.171 -7.524) 20.601 7.394 ( -2.316 2.761 -8.757) 9.469 7.635 ( -4.318 6.347 -16.582) 18.273 7.684 ( -12.039 11.524 -12.324) 20.728 7.960 ( 4.844 -3.722 -17.077) 18.137 8.183 ( -11.510 -7.233 -11.561) 17.845 8.502 ( 5.554 13.866 -0.184) 14.938 8.718 ( -13.772 10.737 -3.024) 17.722 8.955 ( 10.247 -6.625 6.229) 13.700 9.148 ( -8.627 -5.228 5.009) 11.263 9.807 ( 10.802 10.425 -0.225) 15.014 10.044 ( -11.890 10.567 0.286) 15.909 10.300 ( 10.993 -7.748 0.800) 13.473 10.525 ( -10.040 -8.404 -3.583) 13.574 10.802 ( 10.208 6.294 8.121) 14.484 10.968 ( -6.332 5.776 7.947) 11.688 11.221 ( 5.187 -12.296 10.864) 17.208 11.282 ( -2.023 -11.001 11.319) 15.914 11.762 ( 6.964 11.619 5.095) 14.473 11.848 ( -1.778 8.721 6.824) 11.215 12.081 ( 5.445 2.436 -3.280) 6.808 12.220 ( -7.642 -2.880 -3.046) 8.717 12.506 ( 4.051 -2.229 -5.259) 7.003 12.641 ( -8.277 -4.230 -6.359) 11.262 12.778 ( 0.785 -12.533 0.646) 12.574 12.848 ( -5.066 -12.628 -0.667) 13.623 13.868 ( 5.709 6.082 -3.166) 8.922 13.917 ( 1.187 4.871 -4.974) 7.062 14.015 ( 0.225 1.205 -1.113) 1.656 14.072 ( -4.843 0.238 -1.317) 5.024 14.684 ( 3.226 1.337 -5.034) 6.127 14.714 ( 1.352 0.952 -4.178) 4.493 14.774 ( -1.906 0.938 -6.061) 6.422 14.801 ( -3.769 0.304 -5.528) 6.697 15.876 ( 5.224 3.287 2.276) 6.578 15.938 ( -0.523 4.225 2.825) 5.109 16.156 ( 6.118 -7.163 14.060) 16.924 16.313 ( -8.461 -9.767 13.815) 18.916 19.191 ( 7.640 7.918 -2.892) 11.377 19.334 ( -6.980 4.359 -6.282) 10.353 19.586 ( 3.376 -7.436 -11.230) 13.885 19.663 ( -3.982 -11.840 -10.120) 16.077 ======================= Grid point 153 (56/100) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 0.000 -5.227 6.888) 8.647 2.305 ( 0.000 5.227 6.888) 8.647 2.801 ( 0.000 -11.898 -0.439) 11.906 2.801 ( 0.000 11.898 -0.439) 11.906 3.213 ( 0.000 -7.990 13.725) 15.881 3.213 ( 0.000 7.990 13.725) 15.881 3.728 ( 0.000 -5.043 -6.946) 8.583 3.728 ( 0.000 5.043 -6.946) 8.583 4.465 ( 0.000 -0.070 -14.715) 14.715 4.465 ( 0.000 0.070 -14.715) 14.715 4.904 ( 0.000 -19.620 -8.787) 21.498 4.904 ( 0.000 19.620 -8.787) 21.498 5.301 ( 0.000 -6.866 8.379) 10.833 5.301 ( 0.000 6.866 8.379) 10.833 5.537 ( 0.000 -2.600 4.187) 4.928 5.537 ( 0.000 2.600 4.187) 4.928 6.686 ( 0.000 -8.777 -14.376) 16.843 6.686 ( 0.000 8.777 -14.376) 16.843 7.036 ( 0.000 -17.152 17.445) 24.464 7.036 ( 0.000 17.152 17.445) 24.464 7.955 ( 0.000 -0.196 -1.636) 1.647 7.955 ( 0.000 0.196 -1.636) 1.647 8.184 ( 0.000 -27.119 4.937) 27.564 8.184 ( 0.000 27.119 4.937) 27.564 8.889 ( 0.000 -5.788 -3.257) 6.641 8.889 ( 0.000 5.788 -3.257) 6.641 9.429 ( 0.000 -5.157 6.604) 8.379 9.429 ( 0.000 5.157 6.604) 8.379 9.790 ( 0.000 -7.751 2.919) 8.282 9.790 ( 0.000 7.751 2.919) 8.282 10.360 ( 0.000 -4.333 10.727) 11.570 10.360 ( 0.000 4.333 10.727) 11.570 10.775 ( 0.000 -2.779 -12.550) 12.854 10.775 ( 0.000 2.779 -12.550) 12.854 11.099 ( 0.000 -12.171 2.780) 12.485 11.099 ( 0.000 12.171 2.780) 12.485 11.883 ( 0.000 -13.249 -5.340) 14.285 11.883 ( 0.000 13.249 -5.340) 14.285 12.072 ( 0.000 -10.177 -5.622) 11.627 12.072 ( 0.000 10.177 -5.622) 11.627 12.759 ( 0.000 -0.683 -7.856) 7.885 12.759 ( 0.000 0.683 -7.856) 7.885 13.339 ( 0.000 -6.507 -10.569) 12.412 13.339 ( 0.000 6.507 -10.569) 12.412 13.501 ( 0.000 -3.780 -0.745) 3.852 13.501 ( 0.000 3.780 -0.745) 3.852 14.281 ( 0.000 -9.438 -4.814) 10.595 14.281 ( 0.000 9.438 -4.814) 10.595 14.652 ( 0.000 -2.746 -5.101) 5.793 14.652 ( 0.000 2.746 -5.101) 5.793 14.770 ( 0.000 -4.658 -5.038) 6.862 14.770 ( 0.000 4.658 -5.038) 6.862 15.701 ( 0.000 -3.543 5.708) 6.718 15.701 ( 0.000 3.543 5.708) 6.718 16.302 ( 0.000 -11.760 17.344) 20.955 16.302 ( 0.000 11.760 17.344) 20.955 19.073 ( 0.000 -17.595 12.833) 21.778 19.073 ( 0.000 17.595 12.833) 21.778 19.632 ( 0.000 -0.810 -1.716) 1.897 19.632 ( 0.000 0.810 -1.716) 1.897 ======================= Grid point 155 (57/100) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 1.434 -6.097 8.730) 10.745 2.309 ( 1.434 6.097 8.730) 10.745 2.920 ( 8.783 -7.798 -3.076) 12.142 2.920 ( 8.783 7.798 -3.076) 12.142 3.248 ( 3.214 -13.492 17.536) 22.358 3.248 ( 3.214 13.492 17.536) 22.358 3.664 ( -4.792 -9.091 -9.481) 13.982 3.664 ( -4.792 9.091 -9.481) 13.982 4.453 ( -0.910 -2.317 -15.239) 15.441 4.453 ( -0.910 2.317 -15.239) 15.441 4.871 ( -3.439 -17.033 -6.604) 18.589 4.871 ( -3.439 17.033 -6.604) 18.589 5.327 ( 2.551 -7.756 3.228) 8.780 5.327 ( 2.551 7.756 3.228) 8.780 5.609 ( 7.541 -2.994 7.935) 11.349 5.609 ( 7.541 2.994 7.935) 11.349 6.715 ( 2.328 -10.324 -13.937) 17.500 6.715 ( 2.328 10.324 -13.937) 17.500 7.022 ( -0.662 -17.582 15.827) 23.665 7.022 ( -0.662 17.582 15.827) 23.665 7.926 ( -1.624 -2.238 -1.953) 3.385 7.926 ( -1.624 2.238 -1.953) 3.385 8.199 ( 1.017 -25.124 2.685) 25.288 8.199 ( 1.017 25.124 2.685) 25.288 8.911 ( 0.550 -4.220 -4.219) 5.993 8.911 ( 0.550 4.220 -4.219) 5.993 9.407 ( -1.080 -8.159 7.830) 11.359 9.407 ( -1.080 8.159 7.830) 11.359 9.879 ( 4.094 -7.861 4.458) 9.921 9.879 ( 4.094 7.861 4.458) 9.921 10.236 ( -6.743 -3.462 -2.533) 7.992 10.236 ( -6.743 3.462 -2.533) 7.992 10.766 ( -0.709 -5.425 -2.630) 6.071 10.766 ( -0.709 5.425 -2.630) 6.071 11.154 ( 4.038 -8.483 4.967) 10.627 11.154 ( 4.038 8.483 4.967) 10.627 11.875 ( -1.102 -11.665 -5.443) 12.919 11.875 ( -1.102 11.665 -5.443) 12.919 12.077 ( 0.530 -6.422 -3.927) 7.546 12.077 ( 0.530 6.422 -3.927) 7.546 12.736 ( -2.150 -2.701 -7.748) 8.482 12.736 ( -2.150 2.701 -7.748) 8.482 13.219 ( -9.485 -4.858 -8.581) 13.682 13.219 ( -9.485 4.858 -8.581) 13.682 13.584 ( 5.993 -5.413 -2.319) 8.402 13.584 ( 5.993 5.413 -2.319) 8.402 14.254 ( -2.545 -7.967 -4.451) 9.474 14.254 ( -2.545 7.967 -4.451) 9.474 14.627 ( -0.868 -2.258 -5.321) 5.845 14.627 ( -0.868 2.258 -5.321) 5.845 14.840 ( 4.620 -4.410 -5.371) 8.345 14.840 ( 4.620 4.410 -5.371) 8.345 15.705 ( 0.527 -3.244 6.148) 6.971 15.705 ( 0.527 3.244 6.148) 6.971 16.289 ( -1.132 -11.076 16.632) 20.015 16.289 ( -1.132 11.076 16.632) 20.015 19.125 ( 4.772 -18.258 10.395) 21.545 19.125 ( 4.772 18.258 10.395) 21.545 19.614 ( -1.811 -0.710 -2.942) 3.527 19.614 ( -1.811 0.710 -2.942) 3.527 ======================= Grid point 157 (58/100) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 5.283 -1.163 10.381) 11.706 2.377 ( 5.283 1.163 10.381) 11.706 3.020 ( -0.173 -11.100 6.137) 12.685 3.020 ( -0.173 11.100 6.137) 12.685 3.298 ( 1.909 -10.301 8.660) 13.592 3.298 ( 1.909 10.301 8.660) 13.592 3.627 ( 1.414 -10.114 -10.104) 14.366 3.627 ( 1.414 10.114 -10.104) 14.366 4.435 ( -1.221 -2.298 -13.910) 14.152 4.435 ( -1.221 2.298 -13.910) 14.152 4.780 ( -5.357 -11.992 -3.357) 13.557 4.780 ( -5.357 11.992 -3.357) 13.557 5.423 ( 8.211 -6.332 0.087) 10.369 5.423 ( 8.211 6.332 0.087) 10.369 5.808 ( 11.792 -5.291 6.594) 14.510 5.808 ( 11.792 5.291 6.594) 14.510 6.733 ( -1.010 -10.824 -2.638) 11.187 6.733 ( -1.010 10.824 -2.638) 11.187 7.066 ( 6.390 -14.266 -1.309) 15.686 7.066 ( 6.390 14.266 -1.309) 15.686 7.936 ( 2.594 -9.391 -1.160) 9.812 7.936 ( 2.594 9.391 -1.160) 9.812 8.189 ( -3.040 -18.270 -3.332) 18.818 8.189 ( -3.040 18.270 -3.332) 18.818 8.845 ( -7.209 -0.711 -1.825) 7.470 8.845 ( -7.209 0.711 -1.825) 7.470 9.393 ( -3.566 -7.507 7.043) 10.894 9.393 ( -3.566 7.507 7.043) 10.894 9.771 ( -6.658 -11.327 -6.539) 14.676 9.771 ( -6.658 11.327 -6.539) 14.676 10.340 ( 11.791 -3.509 -2.579) 12.570 10.340 ( 11.791 3.509 -2.579) 12.570 10.755 ( 0.047 -1.425 5.835) 6.007 10.755 ( 0.047 1.425 5.835) 6.007 11.210 ( 0.980 -6.499 9.386) 11.458 11.210 ( 0.980 6.499 9.386) 11.458 11.838 ( -1.869 -9.318 -4.531) 10.528 11.838 ( -1.869 9.318 -4.531) 10.528 12.096 ( 1.511 -5.732 -1.528) 6.122 12.096 ( 1.511 5.732 -1.528) 6.122 12.683 ( -3.184 -4.291 -6.460) 8.383 12.683 ( -3.184 4.291 -6.460) 8.383 13.013 ( -11.132 -3.378 -7.286) 13.727 13.013 ( -11.132 3.378 -7.286) 13.727 13.708 ( 6.589 -5.050 -2.489) 8.667 13.708 ( 6.589 5.050 -2.489) 8.667 14.195 ( -3.248 -5.759 -3.705) 7.579 14.195 ( -3.248 5.759 -3.705) 7.579 14.630 ( 0.964 -1.925 -6.071) 6.442 14.630 ( 0.964 1.925 -6.071) 6.442 14.897 ( 0.728 -3.145 -5.218) 6.136 14.897 ( 0.728 3.145 -5.218) 6.136 15.734 ( 2.884 -3.431 6.734) 8.089 15.734 ( 2.884 3.431 6.734) 8.089 16.264 ( -1.485 -10.301 14.580) 17.914 16.264 ( -1.485 10.301 14.580) 17.914 19.230 ( 5.365 -17.920 4.742) 19.297 19.230 ( 5.365 17.920 4.742) 19.297 19.568 ( -2.707 -1.155 -5.715) 6.428 19.568 ( -2.707 1.155 -5.715) 6.428 ======================= Grid point 159 (59/100) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 7.162 -10.439 11.021) 16.785 2.502 ( 7.162 10.439 11.021) 16.785 2.929 ( -7.242 -18.634 14.315) 24.588 2.929 ( -7.242 18.634 14.315) 24.588 3.369 ( 5.247 -7.245 -3.072) 9.458 3.369 ( 5.247 7.245 -3.072) 9.458 3.654 ( -0.108 -8.254 -6.776) 10.680 3.654 ( -0.108 8.254 -6.776) 10.680 4.400 ( -1.652 -2.219 -6.263) 6.846 4.400 ( -1.652 2.219 -6.263) 6.846 4.666 ( -6.546 -7.189 -1.202) 9.797 4.666 ( -6.546 7.189 -1.202) 9.797 5.648 ( 13.686 -9.851 -2.432) 17.037 5.648 ( 13.686 9.851 -2.432) 17.037 6.029 ( 9.313 -6.876 3.472) 12.086 6.029 ( 9.313 6.876 3.472) 12.086 6.721 ( 2.200 -10.287 -1.310) 10.601 6.721 ( 2.200 10.287 -1.310) 10.601 7.247 ( 9.948 -11.097 -13.799) 20.311 7.247 ( 9.948 11.097 -13.799) 20.311 7.929 ( -7.828 -14.314 -0.972) 16.344 7.929 ( -7.828 14.314 -0.972) 16.344 8.100 ( -3.234 -7.443 -15.013) 17.066 8.100 ( -3.234 7.443 -15.013) 17.066 8.713 ( -3.371 -4.667 3.674) 6.829 8.713 ( -3.371 4.667 3.674) 6.829 9.195 ( -13.003 -7.830 1.178) 15.224 9.195 ( -13.003 7.830 1.178) 15.224 9.831 ( 9.780 -11.002 -2.482) 14.928 9.831 ( 9.780 11.002 -2.482) 14.928 10.463 ( -1.794 -7.240 -3.817) 8.379 10.463 ( -1.794 7.240 -3.817) 8.379 10.819 ( 7.182 -9.829 11.099) 16.473 10.819 ( 7.182 9.829 11.099) 16.473 11.180 ( -3.666 -5.276 12.506) 14.060 11.180 ( -3.666 5.276 12.506) 14.060 11.849 ( 3.795 -7.073 -2.820) 8.508 11.849 ( 3.795 7.073 -2.820) 8.508 12.129 ( 1.251 -6.748 -0.366) 6.873 12.129 ( 1.251 6.748 -0.366) 6.873 12.611 ( -3.992 -5.699 -4.240) 8.148 12.611 ( -3.992 5.699 -4.240) 8.148 12.800 ( -10.137 -1.510 -5.486) 11.624 12.800 ( -10.137 1.510 -5.486) 11.624 13.836 ( 6.409 -3.306 -2.598) 7.665 13.836 ( 6.409 3.306 -2.598) 7.665 14.129 ( -3.546 -3.831 -3.061) 6.052 14.129 ( -3.546 3.831 -3.061) 6.052 14.660 ( 2.083 -1.481 -6.254) 6.756 14.660 ( 2.083 1.481 -6.254) 6.756 14.870 ( -3.154 -1.663 -4.669) 5.875 14.870 ( -3.154 1.663 -4.669) 5.875 15.825 ( 6.340 -3.923 6.849) 10.124 15.825 ( 6.340 3.923 6.849) 10.124 16.218 ( -3.596 -9.413 12.007) 15.675 16.218 ( -3.596 9.413 12.007) 15.675 19.322 ( 4.014 -14.737 -1.560) 15.354 19.322 ( 4.014 14.737 -1.560) 15.354 19.513 ( -2.895 -3.592 -8.017) 9.250 19.513 ( -2.895 3.592 -8.017) 9.250 ======================= Grid point 161 (60/100) ======================= q-point: ( 0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 7.265 -18.669 11.916) 23.309 2.644 ( 7.265 18.669 11.916) 23.309 2.785 ( -7.235 -21.679 13.477) 26.532 2.785 ( -7.235 21.679 13.477) 26.532 3.485 ( 6.360 -3.949 -4.794) 8.890 3.485 ( 6.360 3.949 -4.794) 8.890 3.602 ( -4.952 -3.339 -6.016) 8.477 3.602 ( -4.952 3.339 -6.016) 8.477 4.414 ( 3.658 -3.887 0.264) 5.344 4.414 ( 3.658 3.887 0.264) 5.344 4.528 ( -7.158 -5.192 0.791) 8.878 4.528 ( -7.158 5.192 0.791) 8.878 5.908 ( 12.073 -11.077 -1.315) 16.437 5.908 ( 12.073 11.077 -1.315) 16.437 6.083 ( -4.446 -7.568 1.989) 9.000 6.083 ( -4.446 7.568 1.989) 9.000 6.914 ( 17.468 -12.253 -9.788) 23.475 6.914 ( 17.468 12.253 -9.788) 23.475 7.269 ( -12.793 -9.130 -13.155) 20.496 7.269 ( -12.793 9.130 -13.155) 20.496 7.814 ( 4.127 -4.691 -13.505) 14.881 7.814 ( 4.127 4.691 -13.505) 14.881 7.991 ( -9.364 -10.120 -18.271) 22.890 7.991 ( -9.364 10.120 -18.271) 22.890 8.768 ( 7.965 -10.850 7.316) 15.320 8.768 ( 7.965 10.850 7.316) 15.320 8.961 ( -10.956 -11.384 4.654) 16.471 8.961 ( -10.956 11.384 4.654) 16.471 10.063 ( 13.105 -11.701 -0.898) 17.591 10.063 ( 13.105 11.701 -0.898) 17.591 10.314 ( -11.576 -11.061 -1.630) 16.094 10.314 ( -11.576 11.061 -1.630) 16.094 10.971 ( 7.097 -10.081 11.463) 16.834 10.971 ( 7.097 10.081 11.463) 16.834 11.089 ( -5.312 -6.648 12.700) 15.288 11.089 ( -5.312 6.648 12.700) 15.288 11.976 ( 8.067 -3.156 -1.405) 8.775 11.976 ( 8.067 3.156 -1.405) 8.775 12.109 ( -4.196 -3.169 -0.549) 5.287 12.109 ( -4.196 3.169 -0.549) 5.287 12.562 ( 0.223 -6.522 -2.849) 7.121 12.562 ( 0.223 6.522 -2.849) 7.121 12.633 ( -6.596 -5.014 -3.386) 8.951 12.633 ( -6.596 5.014 -3.386) 8.951 13.954 ( 5.591 -1.612 -2.738) 6.430 13.954 ( 5.591 1.612 -2.738) 6.430 14.052 ( -4.456 -1.990 -2.794) 5.624 14.052 ( -4.456 1.990 -2.794) 5.624 14.714 ( 3.484 -1.091 -5.542) 6.636 14.714 ( 3.484 1.091 -5.542) 6.636 14.792 ( -4.319 -0.955 -4.735) 6.480 14.792 ( -4.319 0.955 -4.735) 6.480 15.970 ( 7.986 -4.633 7.598) 11.957 15.970 ( 7.986 4.633 7.598) 11.957 16.117 ( -6.672 -7.150 9.513) 13.643 16.117 ( -6.672 7.150 9.513) 13.643 19.392 ( 3.326 -10.521 -6.367) 12.740 19.392 ( 3.326 10.521 -6.367) 12.740 19.455 ( -3.095 -6.881 -8.444) 11.323 19.455 ( -3.095 6.881 -8.444) 11.323 ======================= Grid point 189 (61/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 0.000 12.225) 12.225 2.231 ( 0.000 0.000 28.188) 28.188 2.462 ( 0.000 0.000 -16.972) 16.972 3.070 ( 0.000 0.000 4.952) 4.952 3.324 ( 0.000 0.000 -12.445) 12.445 3.523 ( 0.000 0.000 -12.022) 12.022 3.622 ( 0.000 0.000 -3.923) 3.923 3.770 ( 0.000 0.000 -11.765) 11.765 3.912 ( 0.000 0.000 11.599) 11.599 4.228 ( 0.000 0.000 11.100) 11.100 4.510 ( 0.000 0.000 7.006) 7.006 4.553 ( 0.000 0.000 33.814) 33.814 5.176 ( 0.000 0.000 -9.117) 9.117 5.747 ( 0.000 0.000 10.388) 10.388 5.871 ( 0.000 0.000 -7.016) 7.016 6.104 ( 0.000 0.000 -10.502) 10.502 6.379 ( 0.000 0.000 13.061) 13.061 6.460 ( 0.000 0.000 -8.134) 8.134 6.774 ( 0.000 0.000 4.230) 4.230 6.975 ( 0.000 0.000 -4.517) 4.517 7.451 ( 0.000 0.000 -25.137) 25.137 8.097 ( 0.000 0.000 17.473) 17.473 8.486 ( 0.000 0.000 -5.348) 5.348 8.603 ( 0.000 0.000 -4.067) 4.067 8.842 ( 0.000 0.000 5.817) 5.817 9.007 ( 0.000 0.000 -6.017) 6.017 9.108 ( 0.000 0.000 28.165) 28.165 9.252 ( 0.000 0.000 -11.790) 11.790 9.827 ( 0.000 0.000 -11.557) 11.557 10.167 ( 0.000 0.000 -14.023) 14.023 10.203 ( 0.000 0.000 3.635) 3.635 10.522 ( 0.000 0.000 -7.098) 7.098 10.622 ( 0.000 0.000 8.841) 8.841 10.897 ( 0.000 0.000 9.750) 9.750 10.941 ( 0.000 0.000 6.043) 6.043 11.123 ( 0.000 0.000 -3.710) 3.710 11.261 ( 0.000 0.000 -3.190) 3.190 11.723 ( 0.000 0.000 13.923) 13.923 11.935 ( 0.000 0.000 -19.187) 19.187 12.386 ( 0.000 0.000 -3.898) 3.898 12.733 ( 0.000 0.000 -13.880) 13.880 12.790 ( 0.000 0.000 2.960) 2.960 13.089 ( 0.000 0.000 9.104) 9.104 13.097 ( 0.000 0.000 -17.438) 17.438 13.404 ( 0.000 0.000 -7.814) 7.814 13.637 ( 0.000 0.000 -5.984) 5.984 13.882 ( 0.000 0.000 3.226) 3.226 14.386 ( 0.000 0.000 -11.773) 11.773 14.423 ( 0.000 0.000 6.997) 6.997 14.431 ( 0.000 0.000 -2.897) 2.897 14.643 ( 0.000 0.000 -4.334) 4.334 14.722 ( 0.000 0.000 -2.716) 2.716 15.860 ( 0.000 0.000 7.682) 7.682 16.045 ( 0.000 0.000 0.934) 0.934 16.241 ( 0.000 0.000 20.659) 20.659 16.977 ( 0.000 0.000 1.451) 1.451 18.833 ( 0.000 0.000 18.820) 18.820 19.625 ( 0.000 0.000 -5.727) 5.727 19.713 ( 0.000 0.000 4.290) 4.290 20.206 ( 0.000 0.000 -8.630) 8.630 ======================= Grid point 190 (62/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.806 0.000 6.651) 6.700 2.393 ( -7.012 0.000 -17.098) 18.480 2.402 ( 15.485 0.000 23.536) 28.173 3.133 ( 5.826 0.000 5.542) 8.041 3.282 ( -3.439 0.000 -10.073) 10.644 3.565 ( 2.242 0.000 -11.800) 12.011 3.638 ( 1.688 0.000 -2.150) 2.734 3.787 ( 2.020 0.000 -3.567) 4.100 3.971 ( 6.530 0.000 3.845) 7.578 4.278 ( 5.445 0.000 11.999) 13.177 4.464 ( -4.691 0.000 -3.642) 5.938 4.637 ( 10.235 0.000 39.908) 41.199 5.215 ( 3.548 0.000 -8.152) 8.890 5.724 ( -1.510 0.000 9.636) 9.753 5.792 ( -8.004 0.000 -6.309) 10.191 6.185 ( 6.654 0.000 -3.513) 7.524 6.375 ( -0.603 0.000 10.500) 10.517 6.443 ( -1.131 0.000 -6.751) 6.845 6.765 ( -0.504 0.000 3.485) 3.522 6.960 ( -0.212 0.000 -9.342) 9.345 7.475 ( 2.041 0.000 -22.821) 22.912 8.093 ( -0.964 0.000 16.186) 16.214 8.454 ( -24.113 0.000 8.553) 25.585 8.554 ( 6.128 0.000 -7.174) 9.435 8.642 ( 3.059 0.000 -3.787) 4.868 8.934 ( -7.384 0.000 -10.356) 12.719 9.148 ( -10.375 0.000 -6.502) 12.244 9.253 ( -15.032 0.000 -1.937) 15.156 9.715 ( 10.027 0.000 8.421) 13.094 10.087 ( -4.767 0.000 2.329) 5.305 10.146 ( -4.683 0.000 -5.084) 6.912 10.689 ( 10.237 0.000 -5.293) 11.524 10.693 ( 0.513 0.000 1.792) 1.864 10.758 ( -0.814 0.000 1.760) 1.939 11.095 ( 0.665 0.000 2.067) 2.172 11.179 ( 12.196 0.000 12.425) 17.411 11.400 ( 9.613 0.000 -1.615) 9.747 11.770 ( 5.457 0.000 9.690) 11.121 11.833 ( -7.580 0.000 -13.464) 15.451 12.402 ( 1.332 0.000 -3.159) 3.428 12.683 ( -4.328 0.000 -10.665) 11.510 12.816 ( 1.798 0.000 0.414) 1.845 13.088 ( -0.520 0.000 -17.674) 17.681 13.154 ( 5.786 0.000 5.731) 8.144 13.376 ( -3.335 0.000 -8.949) 9.551 13.638 ( 0.015 0.000 -5.588) 5.588 13.887 ( 0.551 0.000 2.920) 2.972 14.300 ( -5.273 0.000 -4.684) 7.053 14.380 ( -2.559 0.000 0.399) 2.590 14.501 ( 4.538 0.000 -0.119) 4.539 14.702 ( 3.939 0.000 -5.347) 6.641 14.716 ( -0.519 0.000 -2.514) 2.567 15.880 ( 1.415 0.000 5.285) 5.471 15.975 ( -5.831 0.000 3.850) 6.988 16.311 ( 5.483 0.000 16.811) 17.683 16.968 ( -0.179 0.000 2.862) 2.867 18.842 ( 0.977 0.000 17.208) 17.236 19.584 ( -4.189 0.000 -6.019) 7.333 19.659 ( -5.204 0.000 3.023) 6.019 20.182 ( -2.844 0.000 -10.467) 10.846 ======================= Grid point 191 (63/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -9.231 0.000 -5.831) 10.918 2.194 ( -13.395 0.000 -18.068) 22.492 2.738 ( 17.041 0.000 14.696) 22.503 3.213 ( -3.234 0.000 -6.268) 7.053 3.278 ( 8.939 0.000 9.135) 12.781 3.562 ( -2.075 0.000 -6.918) 7.223 3.687 ( 3.081 0.000 1.364) 3.370 3.840 ( 1.578 0.000 4.147) 4.437 4.148 ( 10.035 0.000 -3.233) 10.543 4.403 ( -0.306 0.000 -6.246) 6.253 4.449 ( 11.699 0.000 12.638) 17.222 4.957 ( 22.560 0.000 27.293) 35.410 5.282 ( 2.297 0.000 -4.184) 4.773 5.595 ( -10.522 0.000 -1.499) 10.628 5.734 ( 3.782 0.000 6.074) 7.155 6.226 ( -3.655 0.000 15.552) 15.976 6.357 ( -0.687 0.000 3.275) 3.346 6.511 ( 9.047 0.000 -13.611) 16.343 6.762 ( -0.042 0.000 2.761) 2.761 7.029 ( 8.407 0.000 -16.673) 18.673 7.508 ( 0.635 0.000 -18.554) 18.565 7.995 ( -10.991 0.000 14.001) 17.800 7.997 ( -22.694 0.000 4.019) 23.048 8.618 ( -7.680 0.000 -19.712) 21.156 8.712 ( -9.880 0.000 -8.299) 12.903 8.718 ( -29.989 0.000 -18.983) 35.492 8.733 ( 5.082 0.000 -1.059) 5.191 8.958 ( -3.998 0.000 0.443) 4.022 9.999 ( -6.683 0.000 6.253) 9.152 10.072 ( 18.742 0.000 16.499) 24.970 10.102 ( 3.358 0.000 -4.524) 5.634 10.637 ( -12.248 0.000 0.755) 12.271 10.723 ( 0.667 0.000 -5.066) 5.109 10.800 ( 1.118 0.000 -4.775) 4.904 11.217 ( 11.712 0.000 7.783) 14.062 11.391 ( 10.292 0.000 10.659) 14.816 11.545 ( 5.306 0.000 7.995) 9.595 11.763 ( 1.140 0.000 -2.835) 3.055 11.935 ( 9.890 0.000 2.062) 10.103 12.423 ( 0.704 0.000 -2.053) 2.170 12.586 ( -5.354 0.000 -6.740) 8.608 12.835 ( -0.138 0.000 -1.119) 1.128 13.091 ( 0.944 0.000 -16.990) 17.016 13.268 ( -7.154 0.000 -9.461) 11.862 13.283 ( 6.839 0.000 1.437) 6.989 13.637 ( -0.151 0.000 -4.981) 4.983 13.907 ( 1.543 0.000 2.152) 2.648 14.196 ( -5.361 0.000 -4.247) 6.839 14.387 ( 3.302 0.000 2.317) 4.034 14.584 ( 3.767 0.000 -0.117) 3.769 14.704 ( -0.643 0.000 -1.726) 1.842 14.764 ( 2.329 0.000 -3.922) 4.561 15.838 ( -7.035 0.000 1.745) 7.248 15.892 ( -1.328 0.000 1.321) 1.873 16.422 ( 5.985 0.000 16.393) 17.452 16.990 ( 2.078 0.000 5.475) 5.856 18.872 ( 2.153 0.000 12.702) 12.883 19.469 ( -7.229 0.000 -6.574) 9.771 19.533 ( -6.812 0.000 -0.961) 6.880 20.079 ( -7.817 0.000 -13.730) 15.799 ======================= Grid point 192 (64/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -13.731 0.000 -15.619) 20.797 1.874 ( -18.496 0.000 -20.327) 27.483 3.033 ( 12.798 0.000 4.295) 13.499 3.175 ( -0.212 0.000 -5.560) 5.564 3.474 ( 10.537 0.000 11.284) 15.439 3.513 ( -2.331 0.000 0.620) 2.412 3.744 ( 2.190 0.000 4.341) 4.862 3.798 ( -5.755 0.000 8.990) 10.674 4.302 ( 5.428 0.000 -4.984) 7.369 4.448 ( 2.984 0.000 -12.161) 12.522 4.706 ( 13.775 0.000 11.409) 17.886 5.274 ( -3.379 0.000 1.193) 3.584 5.414 ( 8.529 0.000 9.186) 12.535 5.496 ( 13.100 0.000 18.713) 22.842 5.904 ( 13.801 0.000 1.818) 13.920 6.167 ( 2.131 0.000 7.859) 8.142 6.377 ( 3.296 0.000 -4.358) 5.464 6.718 ( 11.350 0.000 -6.206) 12.936 6.737 ( -3.173 0.000 0.560) 3.222 7.297 ( 18.246 0.000 -18.766) 26.174 7.361 ( -22.496 0.000 -8.529) 24.059 7.671 ( -20.344 0.000 9.033) 22.259 7.676 ( -3.333 0.000 -6.338) 7.161 8.195 ( -28.044 0.000 -20.887) 34.968 8.221 ( -19.833 0.000 -21.586) 29.314 8.489 ( -15.380 0.000 -8.539) 17.592 8.916 ( 11.419 0.000 1.552) 11.525 9.037 ( 8.271 0.000 0.459) 8.283 9.880 ( -5.381 0.000 7.720) 9.410 10.171 ( -4.351 0.000 -1.190) 4.511 10.344 ( -6.977 0.000 -1.864) 7.221 10.378 ( 12.570 0.000 10.502) 16.380 10.726 ( -2.046 0.000 -8.924) 9.156 10.776 ( -2.777 0.000 -2.530) 3.757 11.485 ( 13.707 0.000 8.717) 16.244 11.590 ( 9.729 0.000 8.291) 12.782 11.640 ( 4.823 0.000 11.578) 12.542 11.817 ( 2.793 0.000 3.864) 4.768 12.098 ( 6.368 0.000 2.676) 6.907 12.441 ( 1.718 0.000 -1.353) 2.186 12.478 ( -5.812 0.000 -2.680) 6.401 12.793 ( -4.749 0.000 -1.001) 4.854 13.114 ( 0.771 0.000 -14.309) 14.330 13.144 ( -3.968 0.000 -7.710) 8.671 13.408 ( 5.908 0.000 -2.384) 6.371 13.628 ( -0.927 0.000 -5.287) 5.367 13.944 ( 2.131 0.000 1.240) 2.466 14.097 ( -4.560 0.000 -3.371) 5.670 14.484 ( 5.979 0.000 2.028) 6.313 14.644 ( 2.340 0.000 0.796) 2.471 14.695 ( -0.266 0.000 -0.186) 0.324 14.783 ( -0.878 0.000 -0.894) 1.253 15.723 ( -3.675 0.000 -2.577) 4.489 15.843 ( -3.404 0.000 -3.238) 4.698 16.558 ( 8.077 0.000 17.554) 19.323 17.008 ( -1.383 0.000 9.722) 9.820 18.929 ( 3.763 0.000 6.387) 7.413 19.314 ( -8.380 0.000 -6.458) 10.580 19.434 ( -2.280 0.000 -7.402) 7.745 19.883 ( -11.755 0.000 -16.045) 19.890 ======================= Grid point 193 (65/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.543 0.000 -21.544) 21.833 1.541 ( -13.173 0.000 -22.535) 26.103 3.197 ( 2.986 0.000 -10.991) 11.390 3.211 ( 3.039 0.000 -8.124) 8.674 3.509 ( 3.484 0.000 13.107) 13.562 3.646 ( -8.799 0.000 13.407) 16.036 3.657 ( 7.511 0.000 9.672) 12.246 3.751 ( -1.962 0.000 6.950) 7.222 4.388 ( 3.884 0.000 -8.580) 9.418 4.453 ( -2.311 0.000 -12.081) 12.300 4.959 ( 11.753 0.000 8.823) 14.697 5.157 ( -8.310 0.000 5.392) 9.905 5.508 ( 7.745 0.000 15.748) 17.549 5.651 ( -3.950 0.000 22.281) 22.628 6.270 ( 23.217 0.000 -0.513) 23.223 6.484 ( 7.100 0.000 -7.703) 10.476 6.497 ( 27.908 0.000 -5.290) 28.405 6.632 ( -7.334 0.000 -2.325) 7.694 6.811 ( -28.966 0.000 -5.148) 29.420 6.892 ( -1.368 0.000 1.652) 2.145 7.322 ( -6.499 0.000 -5.256) 8.358 7.603 ( -20.355 0.000 -10.238) 22.785 7.725 ( 14.990 0.000 -19.523) 24.614 7.740 ( 7.044 0.000 -13.244) 15.001 7.923 ( -11.749 0.000 -18.107) 21.585 8.134 ( -20.438 0.000 -13.658) 24.582 9.129 ( 8.617 0.000 3.491) 9.298 9.177 ( 4.033 0.000 1.567) 4.327 9.800 ( -1.352 0.000 8.473) 8.580 9.905 ( -12.539 0.000 6.562) 14.152 10.457 ( 9.557 0.000 -9.692) 13.611 10.575 ( 7.967 0.000 4.466) 9.133 10.630 ( -7.445 0.000 -10.728) 13.058 10.700 ( -5.037 0.000 0.250) 5.043 11.684 ( 5.965 0.000 7.990) 9.971 11.721 ( 2.171 0.000 10.818) 11.034 11.753 ( 6.545 0.000 7.730) 10.129 11.834 ( -1.573 0.000 6.753) 6.934 12.212 ( 6.440 0.000 4.625) 7.929 12.352 ( -7.157 0.000 2.269) 7.509 12.512 ( 5.742 0.000 -1.094) 5.846 12.655 ( -8.262 0.000 -1.012) 8.324 13.111 ( 0.603 0.000 -8.697) 8.718 13.126 ( -0.439 0.000 -9.158) 9.169 13.513 ( 4.800 0.000 -5.396) 7.222 13.591 ( -3.014 0.000 -6.204) 6.898 13.984 ( 1.889 0.000 0.167) 1.897 14.025 ( -2.683 0.000 -1.451) 3.050 14.606 ( 6.292 0.000 2.014) 6.607 14.676 ( 1.105 0.000 1.577) 1.926 14.690 ( -0.358 0.000 1.357) 1.404 14.721 ( -5.091 0.000 1.529) 5.316 15.710 ( 1.920 0.000 -6.579) 6.853 15.771 ( -3.769 0.000 -6.457) 7.476 16.736 ( 9.872 0.000 17.624) 20.201 16.917 ( -7.712 0.000 14.849) 16.732 19.022 ( 5.791 0.000 0.064) 5.791 19.154 ( -7.654 0.000 -4.458) 8.857 19.469 ( 5.954 0.000 -13.585) 14.832 19.648 ( -11.505 0.000 -16.417) 20.048 ======================= Grid point 198 (66/100) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 0.000 16.440 10.021) 19.253 2.290 ( 0.000 5.490 20.584) 21.304 2.544 ( 0.000 6.904 -7.753) 10.381 3.004 ( 0.000 -5.434 6.269) 8.296 3.272 ( 0.000 -3.245 -8.635) 9.225 3.474 ( 0.000 -3.606 -12.616) 13.122 3.667 ( 0.000 2.201 -0.996) 2.416 3.862 ( 0.000 7.707 -9.808) 12.473 3.897 ( 0.000 -0.256 0.101) 0.275 4.303 ( 0.000 -2.726 14.231) 14.490 4.418 ( 0.000 -4.837 -7.090) 8.583 4.569 ( 0.000 7.560 29.401) 30.358 5.245 ( 0.000 2.581 -7.297) 7.740 5.662 ( 0.000 -8.383 -6.792) 10.789 5.814 ( 0.000 -1.750 10.425) 10.571 6.055 ( 0.000 -0.808 -9.287) 9.322 6.262 ( 0.000 -6.343 8.884) 10.916 6.634 ( 0.000 12.136 3.448) 12.616 6.838 ( 0.000 -8.837 1.641) 8.988 7.060 ( 0.000 22.728 3.915) 23.063 7.582 ( 0.000 8.301 -25.834) 27.135 8.048 ( 0.000 -4.521 17.779) 18.345 8.523 ( 0.000 2.022 -3.701) 4.218 8.596 ( 0.000 0.501 -4.373) 4.402 8.813 ( 0.000 -17.666 15.212) 23.312 8.941 ( 0.000 -5.463 -5.537) 7.778 9.050 ( 0.000 15.494 5.484) 16.436 9.396 ( 0.000 5.055 -6.951) 8.594 9.907 ( 0.000 5.542 -10.316) 11.710 9.979 ( 0.000 -14.224 1.737) 14.330 10.223 ( 0.000 5.498 -8.316) 9.969 10.589 ( 0.000 -2.297 9.892) 10.155 10.645 ( 0.000 5.362 -6.786) 8.649 10.860 ( 0.000 -2.155 6.833) 7.165 10.869 ( 0.000 -6.314 6.248) 8.882 11.218 ( 0.000 7.040 -2.427) 7.447 11.350 ( 0.000 7.508 -3.314) 8.207 11.796 ( 0.000 6.145 12.758) 14.161 11.885 ( 0.000 -3.668 -20.059) 20.392 12.297 ( 0.000 -8.128 -3.434) 8.824 12.694 ( 0.000 -2.736 -10.273) 10.631 12.757 ( 0.000 -2.548 3.256) 4.135 13.027 ( 0.000 -2.593 -11.947) 12.225 13.211 ( 0.000 7.083 1.702) 7.285 13.396 ( 0.000 -1.960 -9.303) 9.507 13.649 ( 0.000 -0.226 -6.294) 6.298 13.896 ( 0.000 2.946 4.673) 5.524 14.390 ( 0.000 -0.148 -10.927) 10.928 14.460 ( 0.000 3.557 5.533) 6.578 14.477 ( 0.000 3.490 -3.733) 5.110 14.593 ( 0.000 -3.184 -2.927) 4.325 14.750 ( 0.000 1.461 -3.790) 4.062 15.839 ( 0.000 -1.787 7.074) 7.296 15.999 ( 0.000 -4.129 1.445) 4.374 16.289 ( 0.000 4.573 19.504) 20.033 16.928 ( 0.000 -4.530 3.284) 5.595 18.883 ( 0.000 4.774 17.066) 17.721 19.610 ( 0.000 -1.334 -5.411) 5.573 19.684 ( 0.000 -2.452 3.089) 3.944 20.036 ( 0.000 -14.699 -4.372) 15.335 ======================= Grid point 199 (67/100) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( 0.533 17.191 5.745) 18.133 2.395 ( 4.700 4.104 3.796) 7.304 2.560 ( 5.994 9.838 3.551) 12.055 3.053 ( 4.468 -6.413 6.590) 10.224 3.235 ( -3.286 -2.339 -5.120) 6.518 3.510 ( 3.149 -5.262 -10.006) 11.735 3.647 ( -1.375 0.704 -0.909) 1.792 3.855 ( -1.707 3.517 -2.095) 4.435 3.969 ( 7.855 3.176 -5.563) 10.136 4.344 ( 0.752 -9.634 0.852) 9.701 4.401 ( 2.788 3.557 5.468) 7.094 4.657 ( 9.217 7.103 26.044) 28.525 5.271 ( 1.557 0.119 -6.609) 6.791 5.635 ( -2.108 -6.198 -9.678) 11.684 5.766 ( -3.856 0.071 12.977) 13.538 6.125 ( 6.242 -2.140 -7.224) 9.784 6.256 ( -0.898 -6.126 10.912) 12.546 6.621 ( -1.420 12.828 6.413) 14.412 6.840 ( 1.565 -8.277 -5.717) 10.181 7.052 ( -0.525 22.148 1.904) 22.236 7.575 ( -0.986 6.233 -22.697) 23.558 7.962 ( -9.373 -7.660 15.525) 19.687 8.504 ( -3.525 -1.636 2.613) 4.683 8.646 ( 4.166 1.489 -4.214) 6.110 8.695 ( -4.703 4.007 1.716) 6.412 8.885 ( -5.605 -4.208 -6.526) 9.577 8.961 ( -9.189 -0.673 -5.864) 10.921 9.467 ( -15.879 10.965 -5.147) 19.971 9.766 ( 9.710 3.336 -2.587) 10.588 9.968 ( -2.542 -10.031 5.603) 11.767 10.168 ( -5.255 3.308 -2.497) 6.693 10.539 ( 3.563 -9.131 2.170) 10.039 10.708 ( -2.883 0.586 0.554) 2.994 10.891 ( 9.158 8.223 -1.493) 12.398 11.062 ( 7.692 -6.038 11.051) 14.756 11.244 ( 5.066 7.500 1.725) 9.213 11.455 ( 7.885 4.513 -2.155) 9.337 11.757 ( -5.438 -1.789 -9.101) 10.752 11.874 ( 2.934 4.949 3.774) 6.880 12.314 ( 1.523 -8.004 -2.755) 8.601 12.643 ( -4.131 -2.869 -8.428) 9.814 12.776 ( 1.151 -3.135 1.160) 3.536 13.018 ( -1.132 -4.420 -15.112) 15.786 13.259 ( 4.675 7.344 1.952) 8.922 13.349 ( -4.818 -3.504 -9.288) 11.034 13.652 ( 0.381 0.464 -6.111) 6.140 13.902 ( 0.659 2.807 4.062) 4.982 14.309 ( -5.357 0.444 -5.414) 7.630 14.431 ( -1.961 4.008 -0.875) 4.546 14.532 ( 4.472 2.612 0.096) 5.180 14.634 ( 2.109 -2.991 -3.574) 5.116 14.772 ( 1.937 2.250 -4.294) 5.221 15.862 ( 1.839 -1.728 5.424) 5.982 15.952 ( -4.490 -2.262 2.833) 5.771 16.330 ( 3.490 2.213 17.264) 17.752 16.914 ( -0.799 -4.968 4.254) 6.589 18.893 ( 0.949 4.766 15.521) 16.264 19.569 ( -4.085 -1.234 -5.762) 7.170 19.633 ( -4.953 -2.235 1.927) 5.766 20.022 ( -1.820 -13.904 -6.579) 15.489 ======================= Grid point 200 (68/100) ======================= q-point: ( 0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -7.847 19.440 -4.169) 21.374 2.344 ( -7.660 12.501 -10.740) 18.174 2.818 ( 15.257 6.562 7.038) 18.038 3.145 ( 1.818 -5.569 -1.705) 6.102 3.197 ( 3.823 -4.733 11.984) 13.440 3.555 ( 0.205 -2.059 -7.296) 7.584 3.647 ( 2.118 -5.052 3.673) 6.596 3.827 ( -0.964 0.554 2.225) 2.487 4.136 ( 7.417 0.836 -5.179) 9.084 4.343 ( 2.428 -4.666 -8.135) 9.687 4.561 ( 10.742 3.455 11.674) 16.236 4.931 ( 18.131 3.430 17.949) 25.742 5.234 ( -6.160 -9.641 -4.152) 12.171 5.637 ( 3.500 5.649 -10.390) 12.334 5.727 ( 1.523 0.509 12.413) 12.516 6.180 ( -3.412 -2.871 17.435) 17.996 6.290 ( 6.489 -4.397 -5.768) 9.731 6.599 ( -0.132 11.203 2.116) 11.402 6.940 ( 8.598 -3.952 -10.427) 14.081 7.053 ( 1.133 17.811 -3.423) 18.172 7.507 ( -8.272 -3.332 -13.282) 15.998 7.721 ( -11.409 -4.521 5.186) 13.323 8.402 ( -8.267 9.652 5.994) 14.051 8.540 ( -17.654 -7.046 -17.280) 25.689 8.605 ( -20.194 3.287 -12.971) 24.225 8.749 ( 2.352 -0.091 -2.422) 3.377 8.831 ( -1.447 7.290 -5.101) 9.014 9.083 ( -10.285 10.265 -3.071) 14.852 9.909 ( -3.833 -7.320 5.654) 10.012 10.068 ( 6.203 -2.373 -6.678) 9.418 10.142 ( 12.242 3.613 12.934) 18.171 10.554 ( -4.038 -7.446 -0.637) 8.495 10.708 ( -1.240 3.789 -1.322) 4.200 10.952 ( -0.732 9.899 -1.208) 9.999 11.211 ( 10.266 -4.263 11.790) 16.204 11.401 ( 9.349 4.042 5.578) 11.613 11.563 ( 3.257 -0.626 3.379) 4.735 11.729 ( 3.711 0.044 -4.226) 5.624 11.977 ( 6.015 2.757 5.102) 8.355 12.346 ( 1.686 -6.717 -2.348) 7.313 12.550 ( -5.327 -2.617 -6.132) 8.534 12.790 ( 0.149 -3.815 -0.485) 3.848 12.996 ( -0.737 -7.750 -15.365) 17.225 13.198 ( -8.944 -5.665 -9.220) 14.039 13.387 ( 6.752 7.113 0.297) 9.812 13.663 ( 0.631 1.984 -5.844) 6.204 13.922 ( 1.439 2.117 2.327) 3.460 14.205 ( -5.288 0.578 -4.377) 6.889 14.438 ( 2.522 3.783 0.670) 4.595 14.607 ( 2.950 1.072 -0.536) 3.184 14.665 ( 1.479 -0.937 -2.230) 2.835 14.807 ( 1.212 2.405 -3.472) 4.394 15.842 ( -5.923 0.156 2.672) 6.499 15.888 ( 0.347 -0.049 1.586) 1.625 16.404 ( 4.064 -1.267 16.192) 16.742 16.917 ( 0.907 -6.654 6.013) 9.014 18.920 ( 1.908 4.539 11.214) 12.248 19.458 ( -6.935 -0.916 -6.481) 9.536 19.513 ( -6.581 -1.773 -1.672) 7.018 19.947 ( -6.125 -11.670 -10.714) 16.985 ======================= Grid point 201 (69/100) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -10.882 23.421 -8.893) 27.314 2.115 ( -14.499 19.546 -12.662) 27.433 3.069 ( 9.503 2.177 -4.674) 10.812 3.160 ( 2.155 0.656 -3.052) 3.793 3.357 ( 8.521 -7.578 14.516) 18.459 3.557 ( 2.010 0.780 1.565) 2.664 3.686 ( 0.287 -7.213 7.334) 10.291 3.806 ( -1.200 0.775 5.641) 5.819 4.236 ( 3.869 -3.622 -5.149) 7.389 4.425 ( 3.234 -1.263 -10.139) 10.717 4.770 ( 9.812 0.422 11.784) 15.340 5.056 ( -6.499 -10.793 5.288) 13.663 5.333 ( 16.969 -4.139 9.489) 19.877 5.748 ( 6.559 14.216 -4.024) 16.165 5.874 ( 13.771 -3.253 3.324) 14.535 6.114 ( -0.742 -2.571 12.407) 12.692 6.416 ( 6.136 0.035 -2.480) 6.619 6.622 ( 2.397 5.525 -3.608) 7.020 7.004 ( -2.403 13.161 -3.979) 13.958 7.193 ( -4.750 -6.921 -1.451) 8.518 7.284 ( 5.789 -4.556 -18.585) 19.991 7.594 ( -5.022 0.569 -10.260) 11.437 7.934 ( -33.043 -2.253 -10.565) 34.764 8.160 ( -13.530 18.684 -5.715) 23.766 8.328 ( -13.280 -2.287 -14.316) 19.660 8.621 ( -15.199 12.786 -6.856) 21.012 8.920 ( 10.647 0.500 3.491) 11.215 9.108 ( 6.753 6.650 -1.270) 9.563 9.828 ( -3.598 -4.672 7.560) 9.588 10.144 ( -0.163 -2.373 -0.905) 2.545 10.339 ( -5.798 -0.250 -1.923) 6.114 10.442 ( 8.726 2.647 5.596) 10.699 10.682 ( -1.068 1.749 -3.037) 3.664 10.916 ( -2.882 9.889 -1.227) 10.373 11.457 ( 12.412 -5.849 10.374) 17.202 11.587 ( 9.572 3.355 7.542) 12.640 11.639 ( 4.662 -3.935 6.031) 8.578 11.813 ( 3.616 3.070 4.290) 6.396 12.069 ( 3.322 -2.745 4.052) 5.916 12.385 ( 2.270 -4.942 -2.353) 5.926 12.434 ( -6.179 -3.050 -2.991) 7.512 12.761 ( -4.205 -3.276 -1.471) 5.530 12.990 ( -0.270 -10.900 -10.801) 15.348 13.042 ( -5.198 -7.733 -9.098) 13.023 13.513 ( 5.816 7.681 -2.936) 10.073 13.672 ( 0.201 3.656 -5.933) 6.972 13.955 ( 1.736 1.041 0.719) 2.148 14.106 ( -4.676 0.639 -3.551) 5.906 14.514 ( 4.841 2.218 1.082) 5.434 14.648 ( 1.584 -0.950 -0.288) 1.869 14.694 ( 1.166 1.636 -0.067) 2.010 14.805 ( -1.792 1.503 -0.960) 2.529 15.755 ( -2.212 3.054 -0.792) 3.853 15.871 ( -1.994 2.755 -1.893) 3.892 16.502 ( 6.355 -4.855 16.761) 18.571 16.916 ( -1.997 -8.365 9.293) 12.662 18.969 ( 3.167 3.753 5.237) 7.180 19.311 ( -7.810 -0.151 -6.602) 10.228 19.414 ( -2.585 -1.797 -7.374) 8.018 19.786 ( -9.900 -8.648 -13.881) 19.118 ======================= Grid point 202 (70/100) ======================= q-point: ( 0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -2.628 26.976 -11.407) 29.406 1.856 ( -10.010 25.134 -12.602) 29.845 3.176 ( 3.182 -0.771 -10.341) 10.847 3.211 ( 0.514 0.254 -10.025) 10.042 3.486 ( 6.321 -2.186 13.973) 15.491 3.606 ( -3.926 -3.276 9.606) 10.882 3.686 ( 5.177 -0.378 10.305) 11.539 3.776 ( -2.672 0.489 7.814) 8.273 4.316 ( 4.609 -4.389 -6.906) 9.392 4.409 ( -4.107 -2.746 -9.825) 10.997 4.921 ( 5.196 -7.219 12.541) 15.376 4.980 ( -1.942 -11.117 10.488) 15.407 5.583 ( 10.022 4.265 9.546) 14.483 5.758 ( -6.613 10.373 8.625) 15.024 6.203 ( 16.968 -5.768 -0.990) 17.949 6.263 ( 11.637 -11.787 -3.614) 16.953 6.518 ( 3.469 0.605 -1.154) 3.706 6.639 ( -4.962 3.907 -5.347) 8.275 6.938 ( -1.819 10.691 -13.071) 16.984 6.990 ( -2.799 2.883 -9.184) 10.024 7.347 ( -13.181 0.234 -13.633) 18.964 7.383 ( -18.621 -8.954 -6.825) 21.760 7.690 ( 19.133 -2.772 -16.620) 25.494 8.035 ( -9.310 4.822 -13.532) 17.118 8.081 ( -1.339 17.011 -3.680) 17.456 8.295 ( -16.169 19.942 -6.976) 26.604 9.132 ( 9.240 0.052 4.658) 10.348 9.211 ( 1.848 3.026 0.989) 3.681 9.793 ( 1.464 -0.243 7.851) 7.990 9.936 ( -12.724 3.204 5.036) 14.055 10.407 ( 7.937 -3.796 -5.562) 10.409 10.534 ( -3.173 -4.554 -6.887) 8.845 10.714 ( 6.006 9.485 2.254) 11.451 10.836 ( -5.411 10.292 -0.543) 11.640 11.632 ( 5.693 -7.091 8.999) 12.793 11.684 ( 0.584 -5.524 7.411) 9.261 11.783 ( 7.111 3.453 8.904) 11.906 11.850 ( -0.213 4.933 6.622) 8.260 12.141 ( 5.379 -5.696 3.842) 8.726 12.283 ( -8.043 -5.368 1.219) 9.746 12.475 ( 6.045 -3.511 -2.282) 7.354 12.623 ( -8.501 -3.394 -2.151) 9.403 12.987 ( 0.541 -10.922 -6.487) 12.715 13.002 ( -0.764 -9.836 -9.526) 13.714 13.608 ( 3.881 7.397 -5.833) 10.188 13.662 ( -1.533 5.722 -6.628) 8.890 13.987 ( 1.688 0.181 -0.319) 1.728 14.030 ( -2.954 0.233 -1.763) 3.448 14.617 ( 5.466 0.892 1.444) 5.724 14.677 ( 1.210 -0.033 0.942) 1.534 14.699 ( -0.675 0.821 0.991) 1.453 14.737 ( -4.473 1.214 1.067) 4.756 15.761 ( 2.285 4.881 -4.168) 6.813 15.819 ( -3.115 4.715 -4.327) 7.118 16.654 ( 8.839 -7.492 16.463) 20.132 16.821 ( -7.424 -8.685 13.722) 17.856 19.048 ( 4.998 2.448 -0.706) 5.610 19.165 ( -6.906 1.029 -4.870) 8.513 19.435 ( 4.825 -3.061 -12.733) 13.957 19.586 ( -9.829 -5.569 -14.905) 18.703 ======================= Grid point 207 (71/100) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 0.000 6.428 12.133) 13.731 2.480 ( 0.000 9.003 13.263) 16.030 2.713 ( 0.000 8.023 3.539) 8.769 2.892 ( 0.000 -3.920 4.295) 5.815 3.268 ( 0.000 4.089 1.976) 4.542 3.424 ( 0.000 -0.175 -10.715) 10.716 3.666 ( 0.000 -1.256 -0.279) 1.287 3.919 ( 0.000 1.491 -19.292) 19.349 3.924 ( 0.000 -9.663 11.682) 15.161 4.109 ( 0.000 -6.288 -17.219) 18.331 4.394 ( 0.000 6.128 -5.729) 8.390 4.918 ( 0.000 19.833 7.834) 21.324 5.082 ( 0.000 -16.594 -10.267) 19.514 5.514 ( 0.000 -7.072 -7.879) 10.587 5.872 ( 0.000 6.826 25.875) 26.760 6.129 ( 0.000 8.110 -13.627) 15.857 6.141 ( 0.000 -5.287 15.826) 16.686 6.630 ( 0.000 -10.304 -0.069) 10.304 6.990 ( 0.000 20.433 15.810) 25.836 7.588 ( 0.000 21.884 3.892) 22.227 7.737 ( 0.000 6.897 -15.558) 17.019 7.916 ( 0.000 -5.983 18.424) 19.371 8.302 ( 0.000 -19.134 10.576) 21.863 8.586 ( 0.000 -5.845 -4.487) 7.368 8.702 ( 0.000 4.729 -2.966) 5.582 8.804 ( 0.000 -4.055 -5.594) 6.909 9.360 ( 0.000 9.878 3.519) 10.486 9.432 ( 0.000 -0.846 -14.746) 14.770 9.742 ( 0.000 -5.155 -1.540) 5.380 9.950 ( 0.000 -2.707 -3.709) 4.592 10.397 ( 0.000 9.775 0.750) 9.804 10.559 ( 0.000 -0.141 7.758) 7.760 10.675 ( 0.000 -3.845 0.636) 3.897 10.721 ( 0.000 -5.189 1.679) 5.454 10.882 ( 0.000 5.646 -0.166) 5.648 11.273 ( 0.000 -4.389 -2.870) 5.244 11.546 ( 0.000 10.636 -3.209) 11.110 11.869 ( 0.000 3.497 -17.116) 17.470 11.933 ( 0.000 5.296 7.347) 9.056 12.069 ( 0.000 -12.504 -2.632) 12.778 12.652 ( 0.000 -0.884 -4.616) 4.700 12.703 ( 0.000 -2.312 1.583) 2.802 12.994 ( 0.000 0.403 -14.453) 14.458 13.278 ( 0.000 -8.862 -10.784) 13.958 13.376 ( 0.000 7.997 2.633) 8.419 13.615 ( 0.000 -2.683 -1.537) 3.092 14.024 ( 0.000 8.131 1.307) 8.235 14.342 ( 0.000 -4.840 -6.614) 8.196 14.529 ( 0.000 2.277 -2.226) 3.184 14.553 ( 0.000 -0.314 -3.898) 3.911 14.583 ( 0.000 6.201 -0.378) 6.213 14.760 ( 0.000 -0.874 -3.687) 3.789 15.800 ( 0.000 -1.360 5.644) 5.805 15.891 ( 0.000 -5.308 2.717) 5.963 16.427 ( 0.000 8.081 16.408) 18.290 16.795 ( 0.000 -7.743 7.523) 10.796 19.036 ( 0.000 9.733 13.124) 16.339 19.577 ( 0.000 -2.271 -3.149) 3.883 19.624 ( 0.000 -2.772 0.197) 2.779 19.669 ( 0.000 -17.332 1.597) 17.406 ======================= Grid point 208 (72/100) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 2.477 6.277 11.725) 13.528 2.554 ( 5.286 6.707 9.186) 12.542 2.777 ( 7.140 10.130 1.471) 12.480 2.931 ( 3.369 -3.400 3.429) 5.888 3.276 ( -1.039 7.146 1.647) 7.407 3.408 ( 0.082 -2.309 -2.347) 3.294 3.637 ( -3.153 -2.047 -3.106) 4.877 3.866 ( -4.039 -3.825 -9.403) 10.925 4.008 ( 8.157 -5.729 3.274) 10.492 4.115 ( 0.732 -6.047 -16.811) 17.881 4.443 ( 4.818 5.755 -4.304) 8.652 4.965 ( 4.012 13.353 5.112) 14.851 5.071 ( -0.661 -11.255 -7.254) 13.407 5.538 ( 2.499 -6.247 -5.560) 8.729 5.858 ( -0.864 7.796 21.714) 23.088 6.137 ( -0.318 -5.170 16.381) 17.180 6.179 ( 4.725 7.347 -12.140) 14.956 6.652 ( 2.749 -9.902 -4.636) 11.274 6.975 ( -1.306 20.255 15.971) 25.827 7.562 ( -2.963 22.165 0.147) 22.363 7.642 ( -9.930 -1.615 -6.409) 11.929 7.855 ( -5.140 0.350 7.371) 8.993 8.288 ( -0.270 -16.310 8.038) 18.185 8.549 ( -5.653 -10.777 -7.376) 14.230 8.717 ( 2.028 3.394 -2.958) 4.937 8.848 ( 3.594 0.798 -1.975) 4.178 9.173 ( -7.592 11.793 -8.725) 16.518 9.594 ( -2.312 -4.111 -5.574) 7.302 9.834 ( 6.451 4.684 1.130) 8.052 9.853 ( -5.972 4.364 -5.853) 9.433 10.204 ( -13.833 -2.011 2.429) 14.188 10.325 ( -0.722 -10.365 1.941) 10.570 10.757 ( 3.668 3.872 3.397) 6.324 10.917 ( 7.413 -5.838 9.419) 13.333 11.063 ( 12.493 7.489 0.370) 14.571 11.325 ( 5.460 -2.473 0.026) 5.994 11.573 ( 1.868 7.680 -3.031) 8.465 11.805 ( -3.424 7.341 -12.195) 14.640 11.971 ( 1.495 0.869 3.357) 3.776 12.103 ( 3.767 -9.620 -1.471) 10.435 12.600 ( -4.065 -0.583 -4.189) 5.866 12.703 ( -0.426 -3.612 -0.359) 3.654 12.942 ( -4.968 -1.463 -14.048) 14.972 13.203 ( -7.112 -9.501 -9.590) 15.259 13.427 ( 4.786 7.786 1.415) 9.248 13.640 ( 2.309 -1.719 -2.923) 4.102 14.019 ( -0.562 7.343 1.031) 7.437 14.288 ( -4.353 -3.135 -5.042) 7.362 14.507 ( -1.396 2.581 -2.919) 4.139 14.556 ( 1.372 -0.694 -1.825) 2.386 14.652 ( 4.412 4.925 -2.096) 6.937 14.797 ( 2.916 -0.156 -4.238) 5.147 15.820 ( 1.876 -1.628 5.437) 5.978 15.883 ( -0.886 -3.859 2.975) 4.953 16.422 ( -0.520 6.438 15.593) 16.877 16.771 ( -2.045 -8.134 7.626) 11.336 19.045 ( 0.848 9.714 11.561) 15.124 19.541 ( -3.672 -1.216 -4.526) 5.953 19.576 ( -4.554 -3.102 -0.372) 5.523 19.669 ( -0.267 -17.183 -0.199) 17.186 ======================= Grid point 209 (73/100) ======================= q-point: ( 0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( -1.748 10.180 6.971) 12.461 2.651 ( 2.992 11.927 3.970) 12.921 2.960 ( 9.501 5.551 -3.478) 11.540 3.005 ( 4.528 -1.955 4.364) 6.586 3.213 ( -2.161 3.974 3.826) 5.925 3.466 ( 4.274 -1.513 8.438) 9.579 3.558 ( -4.051 -5.357 -4.528) 8.100 3.788 ( -3.313 -5.131 -6.433) 8.871 4.143 ( 2.522 -1.911 -12.270) 12.672 4.220 ( 11.472 -5.908 -0.175) 12.905 4.566 ( 7.187 1.199 -0.211) 7.290 4.931 ( -6.986 -14.282 -6.188) 17.061 5.187 ( 11.842 15.288 5.033) 19.982 5.603 ( 4.329 -5.079 2.196) 7.026 5.877 ( 3.357 7.535 8.569) 11.894 6.127 ( 0.161 -2.982 16.819) 17.082 6.310 ( 8.075 7.376 -10.898) 15.440 6.758 ( 7.343 -5.591 -10.512) 13.988 6.943 ( -1.130 12.216 12.306) 17.377 7.369 ( -16.063 -7.202 -0.293) 17.606 7.472 ( -5.853 18.959 -6.886) 21.003 7.763 ( -4.526 6.416 -6.001) 9.883 8.279 ( -5.122 -11.467 -2.654) 12.836 8.330 ( -14.634 -12.376 -13.594) 23.497 8.768 ( 3.020 2.750 0.170) 4.088 8.827 ( -8.651 6.016 5.839) 12.047 9.103 ( -1.449 17.726 -11.207) 21.021 9.310 ( -12.823 9.899 -1.060) 16.234 9.743 ( -2.307 -6.827 4.657) 8.580 9.969 ( -2.015 -8.172 -2.815) 8.875 10.186 ( 14.672 1.522 0.072) 14.751 10.396 ( 2.357 -7.062 -2.431) 7.832 10.826 ( 2.002 5.347 5.951) 8.247 11.048 ( 6.790 -7.472 8.849) 13.425 11.200 ( 3.660 11.233 6.768) 13.616 11.463 ( 6.322 -2.376 3.933) 7.816 11.578 ( 0.499 7.165 -0.871) 7.235 11.821 ( 4.857 7.538 -6.800) 11.254 11.980 ( -0.085 -5.181 4.599) 6.928 12.199 ( 5.008 -5.654 -1.306) 7.665 12.510 ( -5.158 -0.217 -4.886) 7.108 12.691 ( -0.743 -5.369 -2.140) 5.827 12.829 ( -5.820 -5.737 -12.917) 15.285 13.025 ( -10.321 -9.839 -8.219) 16.458 13.544 ( 6.775 7.017 -0.625) 9.774 13.694 ( 3.034 0.368 -4.717) 5.621 14.005 ( -0.774 5.305 0.223) 5.366 14.198 ( -4.695 -1.762 -4.210) 6.548 14.508 ( 1.439 2.522 -1.405) 3.226 14.581 ( 1.346 -1.820 -2.195) 3.153 14.727 ( 2.836 4.730 -1.927) 5.841 14.840 ( 1.008 0.411 -3.593) 3.754 15.842 ( -0.596 0.211 5.029) 5.069 15.889 ( 2.836 -0.434 2.993) 4.146 16.405 ( -1.114 2.435 14.143) 14.395 16.732 ( -1.873 -10.092 7.494) 12.709 19.065 ( 1.077 9.144 7.404) 11.815 19.440 ( -6.276 -0.522 -6.159) 8.809 19.466 ( -6.128 -2.559 -2.974) 7.277 19.642 ( -2.869 -15.527 -4.693) 16.473 ======================= Grid point 210 (74/100) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -3.287 18.866 4.939) 19.777 2.592 ( -7.837 24.062 -1.449) 25.347 3.101 ( 6.556 -8.886 8.560) 13.972 3.146 ( 7.554 3.663 -6.914) 10.876 3.253 ( 4.754 1.425 1.735) 5.258 3.484 ( -2.367 -10.645 5.155) 12.062 3.556 ( 3.850 -1.133 4.106) 5.742 3.743 ( -1.540 -6.750 -0.728) 6.962 4.203 ( 3.622 0.814 -6.799) 7.747 4.397 ( 5.428 -2.161 -2.626) 6.406 4.683 ( 2.708 -4.883 6.655) 8.687 4.782 ( -5.898 -13.944 -2.086) 15.283 5.447 ( 13.817 11.711 3.570) 18.461 5.756 ( 12.317 -5.523 1.129) 13.546 5.973 ( 6.208 5.714 -0.366) 8.445 6.155 ( 0.956 4.560 11.602) 12.503 6.463 ( 7.004 6.550 -3.156) 10.096 6.791 ( -2.303 7.224 -5.982) 9.658 7.014 ( -3.150 -9.284 3.137) 10.293 7.148 ( 4.422 -7.437 -15.475) 17.730 7.355 ( -5.712 17.894 -14.225) 23.562 7.638 ( -9.169 2.779 -16.256) 18.870 7.834 ( -27.962 -3.661 -13.093) 31.091 8.180 ( -10.476 -10.969 -10.959) 18.713 8.622 ( -7.020 18.836 8.082) 21.666 8.856 ( 1.834 5.475 2.270) 6.204 8.998 ( -3.161 9.849 3.765) 11.008 9.269 ( 1.642 6.106 -1.818) 6.579 9.720 ( 2.048 -3.295 5.397) 6.646 10.048 ( 7.214 -7.850 -0.339) 10.667 10.337 ( -6.350 0.439 -1.615) 6.567 10.421 ( 5.662 -2.546 -6.265) 8.820 10.841 ( 2.372 9.813 8.993) 13.520 11.132 ( 0.442 5.485 2.074) 5.881 11.314 ( 7.959 -2.491 12.143) 14.731 11.509 ( 0.204 -5.292 5.660) 7.751 11.689 ( 9.215 5.469 4.617) 11.668 11.933 ( 5.616 6.171 -1.542) 8.485 11.983 ( 0.670 -5.579 5.146) 7.620 12.263 ( 0.670 -6.158 -1.598) 6.398 12.405 ( -4.805 1.675 -4.829) 7.015 12.657 ( -3.990 -6.208 -3.614) 8.217 12.732 ( -3.757 -11.014 -9.593) 15.081 12.841 ( -7.113 -10.572 -8.077) 15.086 13.675 ( 6.244 6.711 -2.909) 9.617 13.752 ( 2.782 3.085 -5.570) 6.948 13.990 ( -0.696 2.409 -0.912) 2.669 14.106 ( -4.703 -1.053 -3.937) 6.223 14.557 ( 3.486 1.725 -0.256) 3.898 14.616 ( 2.404 -1.460 -1.239) 3.074 14.753 ( -0.270 3.085 -0.951) 3.239 14.827 ( -2.423 0.234 -1.566) 2.895 15.848 ( 1.943 5.517 3.446) 6.789 15.955 ( 3.056 4.247 2.034) 5.614 16.390 ( 0.195 -4.055 13.617) 14.210 16.683 ( -3.754 -12.705 8.307) 15.637 19.088 ( 1.373 7.429 1.997) 7.815 19.313 ( -6.402 0.539 -6.996) 9.499 19.365 ( -3.416 -2.652 -7.083) 8.299 19.555 ( -5.813 -12.118 -8.960) 16.153 ======================= Grid point 211 (75/100) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 0.421 26.444 3.119) 26.630 2.440 ( -6.208 28.265 0.999) 28.956 3.203 ( 3.614 -0.239 -4.717) 5.947 3.235 ( 0.837 1.326 -8.590) 8.732 3.357 ( 5.386 -6.495 9.114) 12.420 3.438 ( -2.853 -12.368 9.706) 15.979 3.640 ( 4.471 -4.542 4.950) 8.070 3.710 ( -2.385 -7.203 3.704) 8.443 4.288 ( 5.190 2.554 -4.074) 7.075 4.397 ( -4.824 2.374 -4.336) 6.907 4.683 ( 1.719 -11.541 8.204) 14.264 4.736 ( -2.253 -12.274 7.293) 14.454 5.728 ( 14.923 8.811 2.559) 17.518 5.993 ( -9.615 9.469 0.525) 13.505 6.035 ( 13.437 -6.606 -2.416) 15.167 6.169 ( 2.469 -0.087 4.901) 5.488 6.591 ( 7.050 6.000 -1.072) 9.320 6.740 ( -4.679 3.987 -12.646) 14.061 6.936 ( 2.310 -2.299 -13.149) 13.547 7.127 ( -16.780 -7.251 -21.240) 28.023 7.293 ( 0.474 12.224 -12.214) 17.287 7.423 ( -11.695 4.119 -9.324) 15.514 7.601 ( 12.417 -5.387 -14.913) 20.140 7.913 ( -16.005 -9.467 -12.978) 22.677 8.597 ( 3.833 22.887 6.938) 24.221 8.732 ( -8.866 19.282 2.973) 21.430 9.114 ( 8.824 -2.621 7.272) 11.731 9.249 ( -4.200 -1.761 3.186) 5.558 9.837 ( 9.454 6.042 3.753) 11.831 10.051 ( -10.232 7.373 0.726) 12.632 10.295 ( 6.472 -7.164 -1.872) 9.835 10.423 ( -4.641 -6.068 -5.806) 9.595 10.956 ( 7.752 12.080 6.555) 15.779 11.086 ( -4.809 11.869 3.386) 13.247 11.439 ( 4.349 -10.205 10.204) 15.072 11.495 ( -1.717 -9.611 9.084) 13.335 11.884 ( 9.159 4.644 5.673) 11.732 11.983 ( -1.063 3.767 6.027) 7.187 12.042 ( 5.434 -0.385 -0.659) 5.488 12.181 ( -7.788 -3.874 -1.028) 8.759 12.394 ( 3.672 -1.998 -4.629) 6.237 12.517 ( -8.206 -5.522 -4.866) 11.023 12.712 ( 1.153 -13.536 -6.821) 15.201 12.754 ( -2.927 -12.738 -7.897) 15.271 13.774 ( 3.455 7.391 -5.191) 9.670 13.795 ( 1.137 6.156 -6.032) 8.693 13.983 ( 0.302 -0.806 -1.737) 1.939 14.021 ( -3.614 -1.404 -2.953) 4.874 14.638 ( 4.512 1.076 0.523) 4.668 14.674 ( 3.316 -0.339 -0.065) 3.334 14.720 ( -2.819 1.140 0.065) 3.041 14.756 ( -4.294 0.234 -0.022) 4.301 15.913 ( 4.103 9.331 1.557) 10.312 15.976 ( -1.419 9.957 0.867) 10.095 16.443 ( 5.453 -11.637 13.112) 18.359 16.575 ( -6.972 -13.757 10.748) 18.798 19.126 ( 2.773 4.930 -3.037) 6.420 19.201 ( -4.899 2.456 -6.154) 8.240 19.351 ( 2.073 -4.533 -10.566) 11.683 19.434 ( -5.877 -8.062 -11.228) 15.020 ======================= Grid point 216 (76/100) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 0.000 -2.586 14.250) 14.483 2.530 ( 0.000 2.586 14.250) 14.483 2.835 ( 0.000 -3.101 3.854) 4.947 2.835 ( 0.000 3.101 3.854) 4.947 3.409 ( 0.000 -5.175 0.922) 5.256 3.409 ( 0.000 5.175 0.922) 5.256 3.682 ( 0.000 -5.744 6.251) 8.490 3.682 ( 0.000 5.744 6.251) 8.490 3.977 ( 0.000 -5.217 -27.616) 28.105 3.977 ( 0.000 5.217 -27.616) 28.105 4.691 ( 0.000 -18.387 -11.522) 21.699 4.691 ( 0.000 18.387 -11.522) 21.699 5.290 ( 0.000 -14.312 -0.101) 14.312 5.290 ( 0.000 14.312 -0.101) 14.312 6.021 ( 0.000 -6.360 21.771) 22.681 6.021 ( 0.000 6.360 21.771) 22.681 6.373 ( 0.000 -13.328 -6.595) 14.870 6.373 ( 0.000 13.328 -6.595) 14.870 7.468 ( 0.000 -22.121 21.145) 30.601 7.468 ( 0.000 22.121 21.145) 30.601 7.907 ( 0.000 -9.118 -3.362) 9.718 7.907 ( 0.000 9.118 -3.362) 9.718 8.272 ( 0.000 -19.728 3.709) 20.074 8.272 ( 0.000 19.728 3.709) 20.074 8.784 ( 0.000 -1.593 -5.720) 5.937 8.784 ( 0.000 1.593 -5.720) 5.937 9.413 ( 0.000 -0.233 -10.882) 10.884 9.413 ( 0.000 0.233 -10.882) 10.884 9.820 ( 0.000 -8.099 1.464) 8.230 9.820 ( 0.000 8.099 1.464) 8.230 10.555 ( 0.000 -5.113 7.188) 8.821 10.555 ( 0.000 5.113 7.188) 8.821 10.623 ( 0.000 -5.778 -0.623) 5.811 10.623 ( 0.000 5.778 -0.623) 5.811 11.080 ( 0.000 -11.305 -4.349) 12.112 11.080 ( 0.000 11.305 -4.349) 12.112 11.793 ( 0.000 -12.486 -2.792) 12.795 11.793 ( 0.000 12.486 -2.792) 12.795 11.966 ( 0.000 -2.466 -4.682) 5.292 11.966 ( 0.000 2.466 -4.682) 5.292 12.661 ( 0.000 -1.541 -1.239) 1.977 12.661 ( 0.000 1.541 -1.239) 1.977 13.082 ( 0.000 -7.897 -11.944) 14.318 13.082 ( 0.000 7.897 -11.944) 14.318 13.527 ( 0.000 -5.818 1.178) 5.936 13.527 ( 0.000 5.818 1.178) 5.936 14.201 ( 0.000 -7.971 -2.245) 8.281 14.201 ( 0.000 7.971 -2.245) 8.281 14.554 ( 0.000 -0.241 -4.396) 4.403 14.554 ( 0.000 0.241 -4.396) 4.403 14.703 ( 0.000 -4.508 -2.023) 4.941 14.703 ( 0.000 4.508 -2.023) 4.941 15.806 ( 0.000 -2.247 4.155) 4.724 15.806 ( 0.000 2.247 4.155) 4.724 16.613 ( 0.000 -9.102 12.213) 15.232 16.613 ( 0.000 9.102 12.213) 15.232 19.297 ( 0.000 -14.922 8.767) 17.307 19.297 ( 0.000 14.922 8.767) 17.307 19.583 ( 0.000 -0.859 -2.896) 3.020 19.583 ( 0.000 0.859 -2.896) 3.020 ======================= Grid point 218 (77/100) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 2.914 -3.824 14.842) 15.601 2.558 ( 2.914 3.824 14.842) 15.601 2.907 ( 6.495 -1.437 2.253) 7.023 2.907 ( 6.495 1.437 2.253) 7.023 3.432 ( 0.379 -2.012 -6.065) 6.401 3.432 ( 0.379 2.012 -6.065) 6.401 3.638 ( -3.163 -8.925 10.340) 14.021 3.638 ( -3.163 8.925 10.340) 14.021 4.001 ( 3.260 -4.385 -22.798) 23.444 4.001 ( 3.260 4.385 -22.798) 23.444 4.694 ( -0.110 -15.838 -10.105) 18.787 4.694 ( -0.110 15.838 -10.105) 18.787 5.333 ( 4.561 -13.186 0.756) 13.973 5.333 ( 4.561 13.186 0.756) 13.973 6.015 ( -0.563 -6.570 21.191) 22.194 6.015 ( -0.563 6.570 21.191) 22.194 6.408 ( 4.076 -12.594 -10.048) 16.619 6.408 ( 4.076 12.594 -10.048) 16.619 7.412 ( -6.972 -18.127 18.377) 26.738 7.412 ( -6.972 18.127 18.377) 26.738 7.869 ( -2.257 -9.501 -4.356) 10.693 7.869 ( -2.257 9.501 -4.356) 10.693 8.229 ( -4.304 -16.551 0.565) 17.111 8.229 ( -4.304 16.551 0.565) 17.111 8.817 ( 2.421 -4.232 -3.415) 5.953 8.817 ( 2.421 4.232 -3.415) 5.953 9.402 ( 0.240 -10.536 -9.477) 14.173 9.402 ( 0.240 10.536 -9.477) 14.173 9.960 ( 7.700 -1.048 2.220) 8.082 9.960 ( 7.700 1.048 2.220) 8.082 10.145 ( -18.940 -3.346 -1.751) 19.313 10.145 ( -18.940 3.346 -1.751) 19.313 10.833 ( 5.834 -2.931 6.545) 9.245 10.833 ( 5.834 2.931 6.545) 9.245 11.210 ( 10.871 -6.557 0.232) 12.697 11.210 ( 10.871 6.557 0.232) 12.697 11.785 ( -0.650 -11.497 -2.575) 11.800 11.785 ( -0.650 11.497 -2.575) 11.800 11.988 ( 1.962 -6.316 -4.755) 8.146 11.988 ( 1.962 6.316 -4.755) 8.146 12.628 ( -2.859 -2.999 -2.060) 4.627 12.628 ( -2.859 2.999 -2.060) 4.627 13.006 ( -7.065 -7.446 -10.489) 14.676 13.006 ( -7.065 7.446 -10.489) 14.676 13.568 ( 3.834 -5.201 -0.322) 6.469 13.568 ( 3.834 5.201 -0.322) 6.469 14.176 ( -2.272 -6.931 -2.292) 7.646 14.176 ( -2.272 6.931 -2.292) 7.646 14.542 ( -0.489 -0.908 -3.330) 3.486 14.542 ( -0.489 0.908 -3.330) 3.486 14.755 ( 3.925 -3.813 -3.093) 6.285 14.755 ( 3.925 3.813 -3.093) 6.285 15.817 ( 1.291 -1.688 4.557) 5.028 15.817 ( 1.291 1.688 4.557) 5.028 16.588 ( -2.449 -8.755 11.725) 14.837 16.588 ( -2.449 8.755 11.725) 14.837 19.305 ( 0.526 -14.746 6.876) 16.279 19.305 ( 0.526 14.746 6.876) 16.279 19.543 ( -3.870 -0.947 -3.585) 5.360 19.543 ( -3.870 0.947 -3.585) 5.360 ======================= Grid point 220 (78/100) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 5.081 -7.107 14.610) 17.022 2.638 ( 5.081 7.107 14.610) 17.022 3.052 ( 7.428 -3.495 1.396) 8.327 3.052 ( 7.428 3.495 1.396) 8.327 3.362 ( -6.217 -12.039 -7.252) 15.368 3.362 ( -6.217 12.039 -7.252) 15.368 3.602 ( -1.106 -10.951 3.699) 11.612 3.602 ( -1.106 10.951 3.699) 11.612 4.125 ( 8.701 -2.058 -10.557) 13.835 4.125 ( 8.701 2.058 -10.557) 13.835 4.677 ( -1.692 -9.039 -6.787) 11.429 4.677 ( -1.692 9.039 -6.787) 11.429 5.462 ( 8.116 -9.263 3.265) 12.741 5.462 ( 8.116 9.263 3.265) 12.741 6.021 ( 2.190 -6.681 14.059) 15.719 6.021 ( 2.190 6.681 14.059) 15.719 6.543 ( 9.447 -12.392 -11.652) 19.458 6.543 ( 9.447 12.392 -11.652) 19.458 7.196 ( -13.461 -9.677 9.202) 18.961 7.196 ( -13.461 9.677 9.202) 18.961 7.827 ( -3.890 -10.690 -12.052) 16.573 7.827 ( -3.890 10.690 -12.052) 16.573 8.104 ( -8.726 -4.945 -2.894) 10.439 8.104 ( -8.726 4.945 -2.894) 10.439 8.842 ( 0.103 -2.983 3.196) 4.373 8.842 ( 0.103 2.983 3.196) 4.373 9.400 ( -4.041 -5.827 -5.982) 9.277 9.400 ( -4.041 5.827 -5.982) 9.277 9.737 ( -7.394 -9.631 3.042) 12.517 9.737 ( -7.394 9.631 3.042) 12.517 10.260 ( 10.747 -5.493 -4.393) 12.844 10.260 ( 10.747 5.493 -4.393) 12.844 10.916 ( 4.233 -4.431 8.113) 10.168 10.916 ( 4.233 4.431 8.113) 10.168 11.391 ( 6.166 -5.438 7.538) 11.154 11.391 ( 6.166 5.438 7.538) 11.154 11.775 ( 0.178 -10.873 -1.139) 10.934 11.775 ( 0.178 10.873 -1.139) 10.934 12.034 ( 2.784 -10.757 -4.414) 11.956 12.034 ( 2.784 10.757 -4.414) 11.956 12.571 ( -2.733 -5.299 -3.781) 7.060 12.571 ( -2.733 5.299 -3.781) 7.060 12.837 ( -9.616 -6.247 -8.777) 14.440 12.837 ( -9.616 6.247 -8.777) 14.440 13.661 ( 5.373 -3.658 -2.314) 6.899 13.661 ( 5.373 3.658 -2.314) 6.899 14.122 ( -3.118 -5.129 -2.593) 6.538 14.122 ( -3.118 5.129 -2.593) 6.538 14.548 ( 1.172 -1.488 -2.295) 2.975 14.548 ( 1.172 1.488 -2.295) 2.975 14.814 ( 1.528 -2.913 -3.159) 4.560 14.814 ( 1.528 2.913 -3.159) 4.560 15.863 ( 3.576 -1.597 5.492) 6.745 15.863 ( 3.576 1.597 5.492) 6.745 16.525 ( -3.833 -8.519 10.183) 13.819 16.525 ( -3.833 8.519 10.183) 13.819 19.305 ( -0.854 -13.081 2.316) 13.311 19.305 ( -0.854 13.081 2.316) 13.311 19.447 ( -5.450 -1.602 -5.350) 7.803 19.447 ( -5.450 1.602 -5.350) 7.803 ======================= Grid point 222 (79/100) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 6.105 -13.627 12.488) 19.466 2.749 ( 6.105 13.627 12.488) 19.466 3.116 ( -3.279 -15.703 4.259) 16.597 3.116 ( -3.279 15.703 4.259) 16.597 3.309 ( 3.611 -7.600 -3.481) 9.106 3.309 ( 3.611 7.600 -3.481) 9.106 3.574 ( -1.935 -6.256 -2.357) 6.960 3.574 ( -1.935 6.256 -2.357) 6.960 4.291 ( 7.573 -6.866 -2.429) 10.507 4.291 ( 7.573 6.866 -2.429) 10.507 4.626 ( -3.597 -0.562 -3.059) 4.755 4.626 ( -3.597 0.562 -3.059) 4.755 5.642 ( 10.754 -6.065 2.959) 12.696 5.642 ( 10.754 6.065 2.959) 12.696 6.119 ( 6.826 -7.083 5.464) 11.252 6.119 ( 6.826 7.083 5.464) 11.252 6.706 ( 2.865 -13.727 -3.022) 14.345 6.706 ( 2.865 13.727 -3.022) 14.345 6.989 ( -3.306 -6.937 -8.129) 11.186 6.989 ( -3.306 6.937 -8.129) 11.186 7.644 ( -14.499 -5.149 -23.646) 28.211 7.644 ( -14.499 5.149 -23.646) 28.211 7.899 ( -11.445 -12.624 -4.722) 17.682 7.899 ( -11.445 12.624 -4.722) 17.682 8.863 ( 3.081 -4.510 10.233) 11.599 8.863 ( 3.081 4.510 10.233) 11.599 9.241 ( -8.608 -8.868 2.072) 12.531 9.241 ( -8.608 8.868 2.072) 12.531 9.816 ( 10.429 -11.593 0.249) 15.596 9.816 ( 10.429 11.593 0.249) 15.596 10.369 ( -0.269 -2.307 -5.043) 5.552 10.369 ( -0.269 2.307 -5.043) 5.552 11.027 ( 7.267 -8.266 8.709) 14.035 11.027 ( 7.267 8.266 8.709) 14.035 11.425 ( -2.395 -4.982 10.628) 11.980 11.425 ( -2.395 4.982 10.628) 11.980 11.828 ( 5.652 -7.812 0.923) 9.686 11.828 ( 5.652 7.812 0.923) 9.686 12.092 ( 2.641 -9.388 -3.120) 10.240 12.092 ( 2.641 9.388 -3.120) 10.240 12.515 ( -3.162 -7.078 -4.585) 9.007 12.515 ( -3.162 7.078 -4.585) 9.007 12.653 ( -8.659 -4.671 -8.047) 12.711 12.653 ( -8.659 4.671 -8.047) 12.711 13.770 ( 5.602 -1.881 -3.614) 6.927 13.770 ( 5.602 1.881 -3.614) 6.927 14.056 ( -3.725 -3.351 -3.302) 6.001 14.056 ( -3.725 3.351 -3.302) 6.001 14.588 ( 2.938 -1.286 -1.111) 3.394 14.588 ( 2.938 1.286 -1.111) 3.394 14.808 ( -2.027 -1.908 -1.811) 3.321 14.808 ( -2.027 1.908 -1.811) 3.321 15.964 ( 6.834 -4.097 6.336) 10.180 15.964 ( 6.834 4.097 6.336) 10.180 16.434 ( -5.746 -8.863 8.411) 13.502 16.434 ( -5.746 8.863 8.411) 13.502 19.272 ( -2.044 -8.591 -3.165) 9.381 19.272 ( -2.044 8.591 -3.165) 9.381 19.349 ( -4.411 -4.106 -7.012) 9.246 19.349 ( -4.411 4.106 -7.012) 9.246 ======================= Grid point 224 (80/100) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 6.619 -18.662 9.657) 22.030 2.874 ( 6.619 18.662 9.657) 22.030 3.004 ( -6.611 -20.035 6.933) 22.208 3.004 ( -6.611 20.035 6.933) 22.208 3.421 ( 5.962 -3.752 -1.343) 7.171 3.421 ( 5.962 3.752 -1.343) 7.171 3.519 ( -3.894 -4.463 -2.025) 6.259 3.519 ( -3.894 4.463 -2.025) 6.259 4.421 ( 6.110 -7.979 0.913) 10.091 4.421 ( 6.110 7.979 0.913) 10.091 4.536 ( -5.494 -5.653 0.123) 7.884 4.536 ( -5.494 5.653 0.123) 7.884 5.895 ( 14.771 -6.654 0.208) 16.201 5.895 ( 14.771 6.654 0.208) 16.201 6.149 ( -7.616 -3.904 3.071) 9.093 6.149 ( -7.616 3.904 3.071) 9.093 6.732 ( 7.757 -5.390 -7.458) 12.035 6.732 ( 7.757 5.390 -7.458) 12.035 6.962 ( -9.130 -5.791 -14.616) 18.181 6.962 ( -9.130 5.791 -14.616) 18.181 7.464 ( 2.936 -5.185 -18.233) 19.182 7.464 ( 2.936 5.185 -18.233) 19.182 7.662 ( -12.749 -13.489 -11.728) 21.955 7.662 ( -12.749 13.489 -11.728) 21.955 8.961 ( 6.348 -10.295 9.725) 15.520 8.961 ( 6.348 10.295 9.725) 15.520 9.093 ( -6.983 -11.638 6.271) 14.951 9.093 ( -6.983 11.638 6.271) 14.952 10.049 ( 12.383 -11.361 -0.740) 16.821 10.049 ( 12.383 11.361 -0.740) 16.821 10.267 ( -9.141 -8.095 -2.799) 12.527 10.267 ( -9.141 8.095 -2.799) 12.527 11.183 ( 8.116 -8.205 9.031) 14.655 11.183 ( 8.116 8.205 9.031) 14.655 11.330 ( -6.651 -5.629 10.448) 13.604 11.330 ( -6.651 5.629 10.448) 13.604 11.973 ( 8.146 -3.108 1.047) 8.781 11.973 ( 8.146 3.108 1.047) 8.781 12.097 ( -3.247 -3.090 -0.632) 4.527 12.097 ( -3.247 3.090 -0.632) 4.527 12.468 ( -0.376 -6.152 -5.804) 8.466 12.468 ( -0.376 6.152 -5.804) 8.466 12.518 ( -4.989 -5.779 -7.289) 10.555 12.518 ( -4.989 5.779 -7.289) 10.555 13.877 ( 5.308 -0.811 -4.184) 6.808 13.877 ( 5.308 0.811 -4.184) 6.808 13.974 ( -4.637 -1.728 -4.025) 6.378 13.974 ( -4.637 1.728 -4.025) 6.378 14.660 ( 4.267 -0.944 -0.207) 4.375 14.660 ( 4.267 0.944 -0.207) 4.375 14.745 ( -4.113 -1.057 -0.456) 4.271 14.745 ( -4.113 1.057 -0.456) 4.271 16.122 ( 9.010 -6.557 6.879) 13.095 16.122 ( 9.010 6.557 6.879) 13.095 16.296 ( -8.291 -8.375 7.396) 13.913 16.296 ( -8.291 8.375 7.396) 13.913 19.248 ( 0.048 -5.742 -7.033) 9.079 19.248 ( 0.048 5.742 -7.033) 9.079 19.278 ( -2.774 -5.524 -7.934) 10.058 19.278 ( -2.774 5.524 -7.934) 10.058 ======================= Grid point 252 (81/100) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.079 ( 0.000 0.000 2.455) 2.455 2.183 ( 0.000 0.000 -9.105) 9.105 2.744 ( 0.000 0.000 22.001) 22.001 3.166 ( 0.000 0.000 -19.520) 19.520 3.263 ( 0.000 0.000 6.133) 6.133 3.268 ( 0.000 0.000 11.749) 11.749 3.487 ( 0.000 0.000 -8.926) 8.926 3.496 ( 0.000 0.000 -14.005) 14.005 4.163 ( 0.000 0.000 12.002) 12.002 4.383 ( 0.000 0.000 -9.001) 9.001 4.508 ( 0.000 0.000 16.066) 16.066 4.867 ( 0.000 0.000 -17.825) 17.825 5.281 ( 0.000 0.000 24.923) 24.923 5.663 ( 0.000 0.000 -14.051) 14.051 6.000 ( 0.000 0.000 2.246) 2.246 6.143 ( 0.000 0.000 23.428) 23.428 6.182 ( 0.000 0.000 -14.117) 14.117 6.508 ( 0.000 0.000 -5.112) 5.112 6.845 ( 0.000 0.000 2.677) 2.677 6.980 ( 0.000 0.000 -15.970) 15.970 7.367 ( 0.000 0.000 36.996) 36.996 8.155 ( 0.000 0.000 -29.262) 29.262 8.437 ( 0.000 0.000 11.015) 11.015 8.554 ( 0.000 0.000 -1.610) 1.610 8.853 ( 0.000 0.000 -7.739) 7.739 8.856 ( 0.000 0.000 -13.637) 13.637 9.046 ( 0.000 0.000 13.727) 13.727 9.352 ( 0.000 0.000 -11.748) 11.748 9.816 ( 0.000 0.000 19.229) 19.229 10.122 ( 0.000 0.000 5.008) 5.008 10.216 ( 0.000 0.000 -2.507) 2.507 10.245 ( 0.000 0.000 -18.734) 18.734 10.797 ( 0.000 0.000 8.132) 8.132 10.940 ( 0.000 0.000 -4.856) 4.856 11.120 ( 0.000 0.000 2.447) 2.447 11.169 ( 0.000 0.000 15.830) 15.830 11.189 ( 0.000 0.000 -3.702) 3.702 11.534 ( 0.000 0.000 -19.197) 19.197 12.061 ( 0.000 0.000 17.649) 17.649 12.418 ( 0.000 0.000 -16.569) 16.569 12.457 ( 0.000 0.000 9.573) 9.573 12.717 ( 0.000 0.000 -14.002) 14.002 12.973 ( 0.000 0.000 8.763) 8.763 13.198 ( 0.000 0.000 -11.478) 11.478 13.286 ( 0.000 0.000 9.787) 9.787 13.481 ( 0.000 0.000 -8.858) 8.858 13.988 ( 0.000 0.000 6.893) 6.893 14.161 ( 0.000 0.000 -9.807) 9.807 14.441 ( 0.000 0.000 3.280) 3.280 14.538 ( 0.000 0.000 -5.447) 5.447 14.555 ( 0.000 0.000 5.673) 5.673 14.654 ( 0.000 0.000 -3.977) 3.977 15.981 ( 0.000 0.000 4.277) 4.277 16.040 ( 0.000 0.000 -1.508) 1.508 16.631 ( 0.000 0.000 16.583) 16.583 16.899 ( 0.000 0.000 -8.845) 8.845 19.190 ( 0.000 0.000 15.447) 15.447 19.459 ( 0.000 0.000 -10.563) 10.563 19.838 ( 0.000 0.000 7.746) 7.746 20.018 ( 0.000 0.000 -9.287) 9.287 ======================= Grid point 253 (82/100) ======================= q-point: ( 0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -7.441 0.000 1.015) 7.510 2.107 ( -7.779 0.000 -9.419) 12.217 2.818 ( 6.256 0.000 17.224) 18.325 3.128 ( -1.683 0.000 -11.019) 11.147 3.334 ( 6.464 0.000 11.286) 13.006 3.382 ( 8.984 0.000 1.707) 9.145 3.535 ( 4.719 0.000 -7.660) 8.997 3.580 ( 8.664 0.000 -12.622) 15.309 4.153 ( -0.698 0.000 10.217) 10.240 4.341 ( -3.730 0.000 -7.694) 8.551 4.565 ( 5.777 0.000 16.002) 17.013 4.919 ( 5.089 0.000 -17.443) 18.170 5.280 ( 0.798 0.000 21.291) 21.306 5.608 ( -4.789 0.000 -12.041) 12.958 6.089 ( -4.710 0.000 21.460) 21.971 6.110 ( 10.304 0.000 0.819) 10.337 6.253 ( 7.017 0.000 -11.524) 13.493 6.442 ( -6.109 0.000 -7.996) 10.063 6.856 ( 1.878 0.000 6.240) 6.516 7.056 ( 5.836 0.000 -15.071) 16.162 7.288 ( -7.993 0.000 36.833) 37.690 8.106 ( -6.925 0.000 -33.222) 33.936 8.428 ( 0.575 0.000 8.787) 8.806 8.570 ( 1.190 0.000 -4.547) 4.700 8.668 ( -28.269 0.000 13.010) 31.119 8.765 ( -2.818 0.000 -0.043) 2.819 8.912 ( -0.569 0.000 -11.656) 11.670 8.986 ( -30.805 0.000 -16.919) 35.145 10.086 ( 19.540 0.000 20.794) 28.534 10.101 ( -2.140 0.000 4.578) 5.053 10.174 ( -3.807 0.000 -0.831) 3.897 10.468 ( 13.850 0.000 -15.403) 20.714 10.755 ( -5.972 0.000 3.204) 6.777 10.791 ( -5.652 0.000 0.185) 5.655 11.179 ( 6.957 0.000 5.584) 8.921 11.306 ( 11.281 0.000 -6.204) 12.874 11.376 ( 12.580 0.000 7.996) 14.906 11.569 ( 3.605 0.000 -11.385) 11.942 12.063 ( 0.419 0.000 16.628) 16.633 12.403 ( -1.365 0.000 -15.692) 15.752 12.462 ( 0.806 0.000 8.636) 8.673 12.712 ( -0.091 0.000 -14.117) 14.117 12.951 ( -1.999 0.000 7.587) 7.846 13.160 ( -3.785 0.000 -11.250) 11.870 13.312 ( 2.444 0.000 8.735) 9.070 13.491 ( 0.949 0.000 -8.283) 8.337 13.982 ( -0.479 0.000 6.215) 6.234 14.137 ( -2.340 0.000 -8.532) 8.847 14.444 ( 0.955 0.000 5.322) 5.407 14.573 ( 1.783 0.000 4.500) 4.840 14.574 ( 3.172 0.000 -6.727) 7.438 14.656 ( 0.249 0.000 -3.449) 3.458 15.965 ( -2.065 0.000 3.001) 3.643 16.002 ( -4.075 0.000 -0.506) 4.106 16.660 ( 3.055 0.000 15.525) 15.823 16.911 ( 1.680 0.000 -8.082) 8.255 19.169 ( -2.064 0.000 14.193) 14.342 19.419 ( -3.946 0.000 -10.038) 10.786 19.772 ( -6.637 0.000 7.778) 10.225 19.964 ( -5.572 0.000 -10.376) 11.777 ======================= Grid point 254 (83/100) ======================= q-point: ( 0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -16.254 0.000 -1.361) 16.311 1.877 ( -15.798 0.000 -11.059) 19.284 2.931 ( 4.581 0.000 7.244) 8.571 3.103 ( -1.322 0.000 -7.917) 8.027 3.500 ( 9.884 0.000 10.308) 14.281 3.567 ( 9.253 0.000 9.017) 12.920 3.657 ( 7.275 0.000 -4.534) 8.572 3.795 ( 11.159 0.000 -9.553) 14.689 4.148 ( 0.259 0.000 4.613) 4.621 4.267 ( -3.347 0.000 -6.225) 7.068 4.723 ( 9.903 0.000 14.666) 17.696 5.046 ( 7.002 0.000 -15.568) 17.070 5.362 ( 8.825 0.000 12.060) 14.944 5.531 ( -1.222 0.000 -5.287) 5.426 6.005 ( -2.543 0.000 17.097) 17.285 6.314 ( -5.724 0.000 -9.922) 11.455 6.359 ( 14.017 0.000 -0.410) 14.023 6.450 ( 13.085 0.000 -4.467) 13.826 6.895 ( 0.809 0.000 10.248) 10.280 7.077 ( -12.318 0.000 30.611) 32.997 7.154 ( 3.135 0.000 -14.901) 15.227 7.850 ( -18.337 0.000 -35.241) 39.726 8.113 ( -27.182 0.000 8.080) 28.358 8.353 ( -31.229 0.000 -15.272) 34.763 8.392 ( -8.786 0.000 8.302) 12.088 8.568 ( -5.994 0.000 -7.298) 9.444 8.767 ( 5.838 0.000 4.207) 7.196 8.890 ( 2.532 0.000 -6.353) 6.839 10.067 ( -1.063 0.000 1.681) 1.989 10.087 ( -3.871 0.000 0.829) 3.958 10.401 ( 11.839 0.000 14.333) 18.590 10.640 ( -8.555 0.000 0.731) 8.586 10.648 ( 4.892 0.000 -9.690) 10.855 10.669 ( -5.865 0.000 -1.801) 6.135 11.398 ( 14.378 0.000 9.474) 17.219 11.571 ( 8.144 0.000 6.649) 10.513 11.571 ( 13.726 0.000 -5.701) 14.862 11.683 ( 7.432 0.000 -4.658) 8.772 12.091 ( 2.908 0.000 12.817) 13.143 12.373 ( -1.364 0.000 -13.072) 13.143 12.493 ( 2.084 0.000 8.409) 8.663 12.733 ( 2.500 0.000 -13.553) 13.782 12.905 ( -2.619 0.000 4.288) 5.025 13.061 ( -5.717 0.000 -9.670) 11.233 13.367 ( 2.786 0.000 6.143) 6.745 13.509 ( 0.598 0.000 -7.069) 7.094 13.974 ( -0.207 0.000 4.301) 4.306 14.080 ( -3.125 0.000 -5.838) 6.622 14.495 ( 4.225 0.000 7.230) 8.374 14.620 ( 2.839 0.000 2.530) 3.803 14.650 ( 4.394 0.000 -7.056) 8.312 14.667 ( 0.980 0.000 -1.982) 2.212 15.869 ( -8.108 0.000 1.600) 8.264 15.897 ( -6.016 0.000 -0.815) 6.071 16.751 ( 6.093 0.000 14.446) 15.679 16.977 ( 4.919 0.000 -6.560) 8.199 19.115 ( -3.196 0.000 10.756) 11.221 19.314 ( -6.501 0.000 -8.554) 10.744 19.596 ( -10.731 0.000 7.062) 12.846 19.804 ( -10.524 0.000 -12.429) 16.286 ======================= Grid point 255 (84/100) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -20.049 0.000 -4.144) 20.473 1.507 ( -20.971 0.000 -13.142) 24.748 2.995 ( 2.103 0.000 -0.376) 2.137 3.070 ( -1.905 0.000 -6.316) 6.597 3.695 ( 9.331 0.000 8.756) 12.796 3.722 ( 6.484 0.000 14.906) 16.255 3.794 ( 6.133 0.000 -0.600) 6.162 3.934 ( 2.131 0.000 0.302) 2.152 4.157 ( 0.689 0.000 -5.896) 5.936 4.217 ( -1.873 0.000 -8.207) 8.418 4.920 ( 9.337 0.000 10.466) 14.025 5.152 ( 2.918 0.000 -10.877) 11.262 5.584 ( 11.211 0.000 7.888) 13.708 5.692 ( 20.568 0.000 -0.720) 20.581 6.041 ( 7.158 0.000 10.615) 12.804 6.263 ( 1.477 0.000 -8.894) 9.016 6.553 ( -2.007 0.000 20.757) 20.854 6.728 ( 15.370 0.000 7.457) 17.083 6.840 ( -7.275 0.000 10.125) 12.467 6.948 ( 6.246 0.000 -6.940) 9.337 7.108 ( -10.978 0.000 -14.248) 17.986 7.431 ( -23.213 0.000 -31.755) 39.335 7.669 ( -14.964 0.000 5.066) 15.799 7.861 ( -17.763 0.000 -13.354) 22.223 8.068 ( -21.799 0.000 9.820) 23.909 8.293 ( -19.750 0.000 -10.580) 22.406 8.975 ( 12.716 0.000 3.745) 13.256 9.038 ( 9.989 0.000 -1.544) 10.108 10.007 ( -2.980 0.000 4.603) 5.484 10.096 ( 2.128 0.000 -4.589) 5.059 10.402 ( -12.820 0.000 6.629) 14.433 10.560 ( -6.910 0.000 -7.875) 10.477 10.566 ( 5.823 0.000 7.640) 9.605 10.696 ( 0.712 0.000 -5.117) 5.166 11.669 ( 11.562 0.000 8.544) 14.376 11.731 ( 8.108 0.000 5.470) 9.780 11.781 ( 7.337 0.000 -0.195) 7.340 11.820 ( 6.090 0.000 -2.926) 6.756 12.182 ( 5.937 0.000 7.222) 9.349 12.360 ( 0.061 0.000 -8.292) 8.292 12.534 ( 2.180 0.000 9.781) 10.021 12.799 ( 3.282 0.000 -14.457) 14.825 12.833 ( -4.920 0.000 4.152) 6.438 12.971 ( -2.798 0.000 -8.209) 8.672 13.410 ( 1.640 0.000 2.700) 3.159 13.506 ( -1.007 0.000 -5.980) 6.064 13.977 ( 0.454 0.000 1.946) 1.998 14.027 ( -2.100 0.000 -2.954) 3.625 14.597 ( 5.836 0.000 7.394) 9.420 14.675 ( 2.618 0.000 1.568) 3.052 14.695 ( 1.677 0.000 -0.238) 1.694 14.733 ( 3.608 0.000 -4.753) 5.967 15.701 ( -7.873 0.000 1.133) 7.954 15.762 ( -7.276 0.000 -4.134) 8.368 16.890 ( 7.897 0.000 13.764) 15.869 17.078 ( 4.498 0.000 -3.351) 5.609 19.056 ( -2.498 0.000 6.017) 6.515 19.182 ( -6.576 0.000 -6.252) 9.074 19.389 ( -9.281 0.000 3.670) 9.980 19.572 ( -12.425 0.000 -13.128) 18.075 ======================= Grid point 256 (85/100) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -9.140 0.000 -9.428) 13.131 1.140 ( -13.519 0.000 -13.612) 19.184 3.021 ( 0.804 0.000 -4.571) 4.641 3.038 ( -1.221 0.000 -5.882) 6.007 3.826 ( 4.512 0.000 15.245) 15.898 3.838 ( 4.864 0.000 6.426) 8.059 3.873 ( 1.387 0.000 3.277) 3.558 3.906 ( -3.555 0.000 10.889) 11.455 4.173 ( 0.776 0.000 -11.957) 11.983 4.189 ( -1.023 0.000 -11.680) 11.725 5.069 ( 5.870 0.000 3.349) 6.758 5.151 ( -2.515 0.000 -4.158) 4.860 5.873 ( 17.415 0.000 18.500) 25.407 6.110 ( 8.302 0.000 9.340) 12.496 6.290 ( 17.452 0.000 3.245) 17.751 6.388 ( 11.004 0.000 -4.796) 12.004 6.390 ( 2.999 0.000 5.633) 6.382 6.620 ( -14.037 0.000 3.987) 14.593 6.733 ( -22.735 0.000 -4.584) 23.192 6.831 ( -25.430 0.000 -18.936) 31.706 7.104 ( 19.833 0.000 0.947) 19.856 7.325 ( 12.412 0.000 -16.165) 20.381 7.564 ( 0.991 0.000 -2.744) 2.917 7.638 ( -6.586 0.000 -9.315) 11.408 7.641 ( -16.179 0.000 8.365) 18.214 7.863 ( -22.863 0.000 -12.341) 25.981 9.183 ( 6.911 0.000 1.788) 7.139 9.201 ( 5.009 0.000 0.241) 5.015 9.978 ( 0.964 0.000 8.605) 8.659 10.067 ( -6.585 0.000 5.273) 8.436 10.281 ( 2.978 0.000 -4.118) 5.082 10.407 ( -8.067 0.000 -10.790) 13.472 10.649 ( 3.002 0.000 2.738) 4.063 10.689 ( -1.231 0.000 -1.242) 1.748 11.824 ( 4.655 0.000 5.109) 6.912 11.861 ( 0.945 0.000 2.299) 2.486 11.863 ( 4.790 0.000 3.250) 5.789 11.899 ( 1.362 0.000 0.012) 1.362 12.295 ( 5.030 0.000 3.656) 6.218 12.357 ( -1.182 0.000 -1.807) 2.159 12.592 ( 4.166 0.000 8.207) 9.204 12.701 ( -6.714 0.000 3.395) 7.523 12.877 ( 3.536 0.000 -9.747) 10.369 12.932 ( -2.044 0.000 -9.423) 9.642 13.439 ( 1.529 0.000 -1.135) 1.904 13.474 ( -1.989 0.000 -4.317) 4.753 13.988 ( 0.545 0.000 0.303) 0.623 14.000 ( -0.815 0.000 -0.913) 1.223 14.706 ( 4.831 0.000 5.634) 7.421 14.715 ( 1.295 0.000 1.496) 1.978 14.721 ( 0.693 0.000 0.948) 1.174 14.765 ( -0.774 0.000 0.605) 0.982 15.602 ( -1.609 0.000 -2.431) 2.915 15.638 ( -4.782 0.000 -5.317) 7.151 17.039 ( 6.600 0.000 10.503) 12.405 17.118 ( -0.981 0.000 3.434) 3.572 19.032 ( 0.304 0.000 1.103) 1.144 19.074 ( -4.043 0.000 -3.081) 5.084 19.279 ( -1.032 0.000 -3.338) 3.494 19.357 ( -8.479 0.000 -10.290) 13.333 ======================= Grid point 261 (86/100) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 14.010 0.643) 14.024 2.314 ( 0.000 11.735 -6.731) 13.529 2.748 ( 0.000 0.459 18.551) 18.557 3.133 ( 0.000 -1.539 -17.710) 17.777 3.250 ( 0.000 -2.494 12.927) 13.165 3.302 ( 0.000 4.298 9.661) 10.574 3.520 ( 0.000 2.063 -10.319) 10.523 3.592 ( 0.000 8.046 -14.503) 16.586 4.026 ( 0.000 -11.606 9.139) 14.772 4.222 ( 0.000 -13.431 -9.693) 16.564 4.615 ( 0.000 5.924 16.058) 17.116 4.965 ( 0.000 5.449 -16.921) 17.776 5.094 ( 0.000 -11.591 19.695) 22.853 5.429 ( 0.000 -15.046 -13.767) 20.394 5.964 ( 0.000 -2.408 1.672) 2.931 6.126 ( 0.000 -4.099 -12.811) 13.451 6.256 ( 0.000 8.197 25.936) 27.200 6.708 ( 0.000 14.783 -9.808) 17.741 7.113 ( 0.000 21.632 0.836) 21.648 7.148 ( 0.000 14.031 -8.021) 16.162 7.336 ( 0.000 -1.582 39.700) 39.731 8.166 ( 0.000 -0.059 -28.491) 28.491 8.415 ( 0.000 -1.392 8.588) 8.700 8.538 ( 0.000 -1.074 -2.266) 2.508 8.770 ( 0.000 -6.658 -8.660) 10.924 8.795 ( 0.000 -4.473 -7.496) 8.730 9.215 ( 0.000 12.455 10.404) 16.229 9.374 ( 0.000 -3.975 1.543) 4.263 9.725 ( 0.000 0.124 -0.637) 0.649 9.900 ( 0.000 -15.810 -9.342) 18.364 10.275 ( 0.000 10.075 8.592) 13.241 10.467 ( 0.000 8.411 -9.491) 12.681 10.766 ( 0.000 -2.359 7.364) 7.733 10.887 ( 0.000 -4.645 -3.623) 5.891 11.093 ( 0.000 -6.411 14.471) 15.828 11.213 ( 0.000 5.951 1.252) 6.081 11.285 ( 0.000 8.380 -2.349) 8.703 11.475 ( 0.000 -3.275 -18.954) 19.235 12.087 ( 0.000 1.521 14.109) 14.191 12.296 ( 0.000 -8.463 -2.333) 8.779 12.525 ( 0.000 3.560 -1.428) 3.836 12.699 ( 0.000 -1.169 -13.195) 13.247 12.927 ( 0.000 -3.800 9.360) 10.102 13.164 ( 0.000 -3.498 -12.327) 12.814 13.343 ( 0.000 4.715 7.895) 9.196 13.505 ( 0.000 2.077 -7.602) 7.881 14.018 ( 0.000 2.854 7.027) 7.585 14.183 ( 0.000 1.814 -9.013) 9.194 14.458 ( 0.000 1.310 1.624) 2.087 14.521 ( 0.000 -1.425 -3.783) 4.043 14.570 ( 0.000 1.519 5.034) 5.258 14.666 ( 0.000 0.961 -4.361) 4.466 15.951 ( 0.000 -2.588 3.921) 4.698 16.003 ( 0.000 -3.284 -1.112) 3.467 16.653 ( 0.000 2.010 15.102) 15.235 16.887 ( 0.000 -1.144 -7.089) 7.180 19.207 ( 0.000 1.817 14.058) 14.175 19.454 ( 0.000 -0.290 -9.782) 9.787 19.779 ( 0.000 -5.217 5.961) 7.922 19.915 ( 0.000 -9.099 -6.740) 11.324 ======================= Grid point 262 (87/100) ======================= q-point: ( 0.11 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( -4.526 16.390 -0.350) 17.007 2.270 ( -4.560 14.108 -6.959) 16.378 2.811 ( 5.335 -0.308 14.489) 15.443 3.105 ( -1.840 -0.709 -10.409) 10.594 3.306 ( 6.053 -3.990 8.489) 11.163 3.409 ( 8.353 3.355 8.075) 12.093 3.531 ( 3.025 0.566 -7.706) 8.298 3.690 ( 7.947 7.497 -12.598) 16.676 4.018 ( -0.205 -10.822 7.937) 13.423 4.195 ( -2.232 -12.058 -8.748) 15.063 4.672 ( 5.608 5.326 15.559) 17.376 5.007 ( 3.829 3.076 -15.063) 15.843 5.114 ( 2.529 -9.344 15.806) 18.535 5.402 ( -2.027 -12.275 -12.297) 17.493 6.037 ( 7.125 -3.572 1.615) 8.132 6.164 ( -0.757 1.464 4.904) 5.173 6.219 ( 1.862 1.696 7.896) 8.288 6.638 ( -6.618 13.318 -13.276) 19.936 7.095 ( -0.112 18.413 3.945) 18.831 7.219 ( 3.536 13.605 -8.922) 16.650 7.266 ( -6.372 -0.718 40.072) 40.582 8.087 ( -9.377 -2.717 -26.220) 27.979 8.351 ( -7.467 -4.115 4.143) 9.479 8.542 ( -3.206 -3.271 -7.282) 8.603 8.659 ( -7.131 0.926 -1.223) 7.295 8.730 ( -6.953 -6.896 -8.001) 12.646 8.975 ( -11.163 13.088 10.406) 20.104 9.234 ( -16.601 13.107 -13.725) 25.215 9.837 ( 11.415 -10.494 8.588) 17.725 9.991 ( 2.796 -12.207 -3.987) 13.142 10.307 ( 2.229 6.399 10.844) 12.787 10.497 ( 1.328 -2.611 -6.374) 7.015 10.767 ( -2.497 2.100 3.862) 5.056 10.839 ( 4.538 6.188 -2.973) 8.229 11.243 ( 7.230 0.074 7.425) 10.364 11.316 ( 10.857 -0.480 5.091) 12.001 11.374 ( 8.909 6.075 -4.960) 11.869 11.496 ( 2.453 -5.240 -11.937) 13.265 12.100 ( 1.359 2.294 12.947) 13.219 12.307 ( 1.011 -7.687 -3.154) 8.370 12.498 ( -2.279 2.242 -0.496) 3.235 12.680 ( -1.455 -2.463 -13.452) 13.752 12.905 ( -2.096 -3.975 8.020) 9.193 13.118 ( -4.494 -3.974 -11.449) 12.926 13.371 ( 2.624 4.706 6.580) 8.505 13.515 ( 0.977 2.091 -7.074) 7.441 14.010 ( -0.805 2.576 6.263) 6.820 14.156 ( -2.582 1.577 -7.817) 8.382 14.460 ( 0.811 1.152 3.397) 3.678 14.547 ( 2.078 -1.906 -4.381) 5.210 14.594 ( 2.368 2.030 3.861) 4.964 14.681 ( 1.501 1.770 -4.404) 4.978 15.946 ( -0.925 -1.747 2.812) 3.438 15.977 ( -2.887 -2.208 -0.218) 3.641 16.666 ( 1.512 0.662 14.326) 14.420 16.888 ( 0.489 -2.127 -6.538) 6.893 19.187 ( -2.032 1.839 12.797) 13.087 19.415 ( -3.912 -0.271 -9.267) 10.063 19.717 ( -6.205 -4.836 6.064) 9.933 19.867 ( -4.965 -8.579 -7.939) 12.700 ======================= Grid point 263 (88/100) ======================= q-point: ( 0.22 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -10.888 22.881 -1.129) 25.364 2.128 ( -10.292 20.726 -8.228) 24.560 2.910 ( 4.178 -1.241 5.959) 7.383 3.077 ( -1.198 -1.195 -7.480) 7.669 3.462 ( 9.543 -4.828 8.797) 13.848 3.562 ( 6.971 -0.878 5.321) 8.814 3.653 ( 8.059 -0.037 1.778) 8.253 3.837 ( 5.533 0.591 -6.194) 8.327 4.050 ( 3.778 -5.938 1.587) 7.215 4.169 ( 0.394 -6.918 -7.866) 10.483 4.815 ( 8.493 2.979 13.100) 15.894 5.077 ( 2.145 -4.568 -10.987) 12.090 5.219 ( 9.241 -6.973 9.971) 15.279 5.411 ( 4.596 -2.091 -10.006) 11.208 6.059 ( -4.602 4.376 18.843) 19.884 6.234 ( 10.780 -3.360 2.104) 11.486 6.394 ( 12.339 -3.982 -4.286) 13.656 6.498 ( -5.595 8.639 -13.535) 17.004 7.000 ( -10.179 4.350 12.412) 16.631 7.183 ( -2.175 11.215 24.270) 26.825 7.227 ( -3.898 5.232 -11.165) 12.931 7.791 ( -19.988 -5.304 -15.101) 25.607 8.074 ( -17.007 -0.105 -8.833) 19.165 8.241 ( -22.554 -6.388 -14.298) 27.458 8.590 ( -8.705 12.721 4.618) 16.092 8.676 ( -0.758 5.603 -4.073) 6.968 8.852 ( 0.587 9.013 5.702) 10.681 8.993 ( -4.274 9.826 -6.415) 12.489 9.983 ( 1.627 -7.025 1.748) 7.420 10.005 ( 1.742 -6.423 -0.264) 6.660 10.367 ( 3.651 -3.890 8.114) 9.711 10.492 ( -1.365 -7.747 -4.612) 9.119 10.765 ( -1.222 10.666 5.387) 12.012 10.883 ( -0.331 12.481 -5.122) 13.495 11.424 ( 11.832 -1.063 9.412) 15.156 11.519 ( 9.744 -1.120 4.968) 10.995 11.584 ( 6.501 -6.305 -1.956) 9.265 11.607 ( 12.936 1.920 -7.098) 14.880 12.134 ( 1.846 2.727 9.654) 10.200 12.322 ( 0.175 -5.230 -5.713) 7.748 12.464 ( -0.777 -1.791 3.585) 4.082 12.669 ( 0.846 -5.648 -13.268) 14.445 12.855 ( -2.878 -4.572 4.584) 7.085 13.002 ( -6.850 -5.229 -9.002) 12.462 13.433 ( 3.373 5.211 3.996) 7.382 13.539 ( 1.280 2.662 -5.943) 6.636 13.992 ( -0.869 1.696 4.260) 4.666 14.094 ( -3.467 1.121 -5.538) 6.630 14.502 ( 3.473 0.534 4.706) 5.873 14.591 ( 2.423 -2.637 -2.976) 4.657 14.654 ( 3.434 2.564 2.054) 4.752 14.723 ( 2.603 2.705 -4.259) 5.677 15.883 ( -6.132 1.267 1.646) 6.474 15.905 ( -3.706 0.856 -0.249) 3.812 16.718 ( 3.887 -2.789 13.431) 14.257 16.921 ( 2.984 -5.005 -5.446) 7.975 19.134 ( -3.216 1.812 9.411) 10.110 19.310 ( -6.400 -0.196 -7.853) 10.133 19.553 ( -10.003 -3.797 5.591) 12.072 19.724 ( -9.446 -7.109 -10.290) 15.673 ======================= Grid point 264 (89/100) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -13.123 31.504 -1.807) 34.176 1.878 ( -14.201 29.424 -8.611) 33.787 2.974 ( 2.592 -0.932 -0.356) 2.777 3.055 ( -1.024 -0.526 -6.536) 6.637 3.657 ( 9.333 -4.798 9.277) 14.007 3.686 ( 5.688 -3.166 8.513) 10.717 3.790 ( 5.429 -2.442 3.719) 7.019 3.894 ( 0.964 -4.851 0.599) 4.982 4.120 ( 2.614 -2.631 -3.526) 5.118 4.201 ( 1.345 0.940 -9.822) 9.958 4.988 ( 8.554 1.348 9.006) 12.494 5.106 ( 2.049 -9.295 -1.332) 9.611 5.479 ( 15.847 -8.141 3.774) 18.211 5.578 ( 11.863 2.167 -7.769) 14.345 6.036 ( 3.404 -0.078 13.791) 14.205 6.337 ( 0.078 2.527 -8.558) 8.924 6.549 ( 2.971 -0.012 17.491) 17.741 6.585 ( 6.673 -3.149 5.531) 9.221 6.889 ( 5.395 0.266 -11.258) 12.487 7.030 ( -15.400 -2.638 -11.481) 19.389 7.069 ( -9.881 3.381 4.497) 11.370 7.357 ( -22.977 -3.188 -15.300) 27.788 7.764 ( -14.394 -1.214 -0.217) 14.447 7.904 ( -9.133 8.961 -12.794) 18.094 8.318 ( -15.812 18.246 6.742) 25.068 8.475 ( -16.229 17.344 -7.700) 24.970 9.007 ( 11.612 3.048 4.476) 12.813 9.080 ( 8.523 4.176 -2.165) 9.735 9.964 ( -1.093 -3.933 5.452) 6.811 10.070 ( 3.062 -2.418 -5.089) 6.413 10.354 ( -6.517 -3.000 3.989) 8.209 10.454 ( -2.000 -5.959 -4.166) 7.541 10.736 ( 0.201 12.322 6.281) 13.832 10.855 ( -2.002 12.156 -4.633) 13.162 11.645 ( 9.094 -6.249 6.911) 13.020 11.696 ( 6.557 -2.680 2.754) 7.600 11.738 ( 10.425 -1.424 3.344) 11.041 11.827 ( 8.574 2.110 -3.025) 9.334 12.172 ( 2.181 -0.760 6.466) 6.866 12.318 ( -0.520 -3.590 -6.379) 7.338 12.466 ( 1.083 -5.817 8.271) 10.169 12.708 ( 2.611 -8.245 -13.513) 16.043 12.780 ( -5.457 -5.027 2.537) 7.842 12.882 ( -4.422 -7.536 -6.594) 10.946 13.490 ( 2.259 6.361 1.061) 6.833 13.556 ( 0.193 4.257 -4.950) 6.532 13.982 ( -0.140 0.421 1.878) 1.930 14.033 ( -2.539 0.408 -3.124) 4.046 14.587 ( 4.942 -0.509 4.514) 6.712 14.645 ( 3.099 -2.344 -0.822) 3.972 14.714 ( 2.390 2.135 1.802) 3.677 14.768 ( 1.491 1.753 -2.851) 3.664 15.760 ( -5.440 5.486 1.681) 7.906 15.816 ( -5.021 5.070 -3.164) 7.805 16.816 ( 5.959 -6.704 12.780) 15.613 16.987 ( 2.923 -8.288 -2.813) 9.227 19.073 ( -2.621 1.610 4.952) 5.830 19.182 ( -6.297 0.076 -5.786) 8.552 19.360 ( -8.688 -2.572 2.754) 9.470 19.516 ( -11.177 -5.052 -11.411) 16.753 ======================= Grid point 265 (90/100) ======================= q-point: ( 0.44 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -5.308 38.600 -4.057) 39.174 1.639 ( -8.291 37.493 -6.947) 39.022 3.014 ( 1.501 0.220 -3.952) 4.233 3.036 ( -0.941 0.540 -5.720) 5.822 3.766 ( 3.216 -4.519 11.420) 12.696 3.791 ( 1.990 -4.979 7.606) 9.306 3.864 ( 3.013 -3.281 4.741) 6.505 3.900 ( -0.272 -3.025 2.665) 4.041 4.161 ( 1.822 0.141 -6.223) 6.485 4.195 ( -1.510 1.971 -9.183) 9.513 5.116 ( 4.109 0.112 5.741) 7.061 5.147 ( 0.901 -5.475 3.657) 6.646 5.754 ( 12.151 -5.592 6.426) 14.839 5.841 ( 8.935 -12.561 -0.434) 15.421 6.193 ( 10.951 -6.593 5.130) 13.774 6.338 ( -1.423 -5.293 3.905) 6.729 6.481 ( 3.535 4.398 -2.607) 6.216 6.626 ( -8.119 1.665 0.974) 8.346 6.704 ( -15.600 -2.286 -7.898) 17.634 6.780 ( -19.265 -1.055 -8.601) 21.124 7.047 ( 11.464 -1.538 -4.185) 12.300 7.213 ( 3.371 -4.064 -14.060) 15.019 7.576 ( -0.582 -0.235 5.471) 5.507 7.763 ( -10.012 1.137 -11.589) 15.356 8.086 ( -4.522 30.124 2.847) 30.594 8.174 ( -11.901 28.912 -5.247) 31.703 9.201 ( 6.415 1.415 1.866) 6.829 9.219 ( 4.210 1.900 -0.115) 4.620 9.967 ( 2.194 -0.873 8.428) 8.752 10.059 ( -5.423 -0.448 3.507) 6.474 10.277 ( 2.273 -0.554 -3.249) 4.003 10.375 ( -5.699 -2.613 -8.394) 10.477 10.770 ( 2.473 10.830 2.719) 11.437 10.815 ( -2.080 11.165 -1.570) 11.465 11.771 ( 3.659 -6.469 3.754) 8.326 11.783 ( 2.264 -5.433 2.251) 6.301 11.903 ( 5.147 3.033 3.240) 6.796 11.932 ( 2.116 3.648 1.024) 4.340 12.225 ( 3.310 -5.850 4.107) 7.877 12.289 ( -2.673 -5.766 -1.436) 6.515 12.522 ( 4.834 -6.205 7.148) 10.629 12.643 ( -7.071 -5.368 2.748) 9.293 12.768 ( 2.812 -9.929 -10.283) 14.568 12.821 ( -2.625 -9.512 -8.570) 13.070 13.523 ( 1.320 6.987 -1.778) 7.329 13.546 ( -1.021 6.138 -3.884) 7.335 13.985 ( 0.429 -0.430 0.216) 0.645 13.999 ( -1.065 -0.345 -1.125) 1.587 14.682 ( 4.241 -1.030 3.082) 5.343 14.703 ( 2.328 -0.986 0.759) 2.640 14.738 ( 0.151 0.460 2.188) 2.241 14.765 ( -1.829 -0.065 0.335) 1.860 15.698 ( -0.677 8.707 -1.105) 8.803 15.729 ( -3.449 8.369 -3.682) 9.772 16.934 ( 5.547 -9.517 9.630) 14.632 17.007 ( -1.351 -10.152 3.152) 10.716 19.045 ( 0.048 1.218 0.648) 1.380 19.081 ( -3.668 0.650 -2.984) 4.773 19.255 ( -1.155 -2.131 -3.314) 4.106 19.323 ( -7.551 -3.084 -9.251) 12.333 ======================= Grid point 270 (91/100) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( 0.000 16.236 1.221) 16.282 2.625 ( 0.000 15.561 -0.455) 15.568 2.792 ( 0.000 4.638 13.614) 14.382 3.109 ( 0.000 -4.779 -2.816) 5.547 3.196 ( 0.000 2.157 3.104) 3.780 3.395 ( 0.000 0.764 5.212) 5.267 3.547 ( 0.000 -0.562 -10.223) 10.238 3.698 ( 0.000 -6.679 -15.307) 16.701 3.776 ( 0.000 -6.398 7.000) 9.483 3.969 ( 0.000 -1.904 -9.143) 9.339 4.499 ( 0.000 -13.194 14.268) 19.433 4.817 ( 0.000 -17.727 -14.976) 23.206 5.115 ( 0.000 10.937 10.514) 15.171 5.332 ( 0.000 3.210 -9.936) 10.442 5.932 ( 0.000 -0.133 -1.944) 1.949 6.039 ( 0.000 -3.872 -10.898) 11.566 6.466 ( 0.000 11.736 27.721) 30.103 6.909 ( 0.000 -0.933 -7.100) 7.161 7.385 ( 0.000 12.584 34.404) 36.633 7.542 ( 0.000 19.110 1.590) 19.176 7.607 ( 0.000 21.365 -2.084) 21.466 8.082 ( 0.000 -8.111 -16.409) 18.304 8.382 ( 0.000 -4.319 3.349) 5.465 8.502 ( 0.000 -4.012 -4.383) 5.942 8.660 ( 0.000 -0.648 -0.822) 1.047 8.696 ( 0.000 -3.192 -4.530) 5.542 9.168 ( 0.000 -10.480 0.989) 10.526 9.334 ( 0.000 -7.774 -7.481) 10.789 9.718 ( 0.000 3.816 2.338) 4.476 9.840 ( 0.000 5.544 -7.312) 9.176 10.480 ( 0.000 8.672 6.099) 10.602 10.597 ( 0.000 3.750 -4.844) 6.126 10.727 ( 0.000 -1.017 5.378) 5.473 10.776 ( 0.000 -4.784 0.150) 4.786 10.954 ( 0.000 -4.786 8.405) 9.672 11.159 ( 0.000 -9.303 -8.808) 12.811 11.509 ( 0.000 12.201 0.141) 12.202 11.588 ( 0.000 12.184 -8.689) 14.964 12.062 ( 0.000 -5.115 3.820) 6.384 12.074 ( 0.000 -12.240 1.658) 12.352 12.607 ( 0.000 4.289 0.887) 4.379 12.711 ( 0.000 3.111 -8.294) 8.858 12.833 ( 0.000 -4.527 7.102) 8.422 13.044 ( 0.000 -7.640 -11.547) 13.846 13.455 ( 0.000 5.206 4.439) 6.841 13.548 ( 0.000 1.284 -4.334) 4.520 14.100 ( 0.000 4.465 5.156) 6.821 14.215 ( 0.000 0.468 -5.807) 5.826 14.480 ( 0.000 0.537 -1.084) 1.210 14.491 ( 0.000 -1.009 -1.987) 2.229 14.621 ( 0.000 3.017 2.709) 4.055 14.685 ( 0.000 0.515 -3.471) 3.509 15.889 ( 0.000 -2.681 2.935) 3.975 15.920 ( 0.000 -3.945 -0.032) 3.945 16.712 ( 0.000 3.423 10.749) 11.281 16.850 ( 0.000 -2.379 -2.225) 3.257 19.278 ( 0.000 5.169 10.264) 11.492 19.460 ( 0.000 1.216 -7.422) 7.521 19.644 ( 0.000 -6.794 1.617) 6.984 19.676 ( 0.000 -12.290 -0.994) 12.330 ======================= Grid point 271 (92/100) ======================= q-point: ( 0.11 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 1.431 18.906 0.011) 18.960 2.627 ( -0.132 17.693 0.475) 17.700 2.841 ( 4.386 4.219 11.117) 12.674 3.144 ( -2.066 4.580 -11.109) 12.193 3.169 ( 3.839 -8.291 12.884) 15.795 3.438 ( 2.167 -3.399 -3.425) 5.290 3.549 ( 1.451 -2.097 -2.585) 3.631 3.679 ( -1.378 -12.087 -6.563) 13.822 3.851 ( 6.294 -2.852 0.711) 6.947 4.011 ( 5.090 2.405 -8.284) 10.016 4.538 ( 3.748 -13.053 12.606) 18.529 4.818 ( -0.341 -17.148 -12.920) 21.474 5.164 ( 5.358 11.166 9.675) 15.716 5.373 ( 4.605 4.234 -9.719) 11.558 6.000 ( 6.956 0.031 -1.402) 7.096 6.104 ( 6.698 -3.611 -9.778) 12.390 6.387 ( -7.231 11.007 26.197) 29.321 6.804 ( -9.717 -1.068 -6.004) 11.472 7.340 ( -6.363 10.657 21.501) 24.827 7.488 ( -4.738 15.763 8.881) 18.703 7.568 ( -4.740 16.573 -3.872) 17.667 7.967 ( -11.263 -8.014 -11.857) 18.212 8.268 ( -8.843 -4.528 -0.597) 9.953 8.405 ( -11.614 -8.595 -7.317) 16.196 8.689 ( 3.109 3.226 0.217) 4.486 8.763 ( 7.303 8.704 -7.452) 13.587 9.103 ( -2.825 -3.489 9.383) 10.401 9.372 ( -2.131 -4.977 -13.694) 14.725 9.775 ( 5.451 6.785 1.906) 8.909 9.848 ( -1.167 3.552 -3.084) 4.847 10.306 ( -9.812 -6.566 4.202) 12.531 10.346 ( -7.655 -9.801 -0.047) 12.437 10.865 ( 6.515 5.803 6.423) 10.834 10.987 ( 9.090 3.696 -4.376) 10.744 11.135 ( 15.149 -2.617 8.395) 17.517 11.284 ( 11.031 -5.964 -4.865) 13.451 11.528 ( 1.983 9.860 -0.547) 10.073 11.586 ( 0.864 12.284 -6.978) 14.153 12.068 ( 0.982 -8.942 4.281) 9.962 12.109 ( 2.932 -8.839 0.413) 9.321 12.559 ( -4.419 3.764 0.858) 5.868 12.661 ( -4.665 1.846 -8.352) 9.743 12.804 ( -2.896 -4.977 5.944) 8.276 12.989 ( -5.326 -7.913 -10.528) 14.206 13.480 ( 2.573 5.035 3.423) 6.609 13.561 ( 1.400 1.596 -4.234) 4.737 14.083 ( -1.662 3.935 4.440) 6.162 14.183 ( -2.962 0.360 -5.060) 5.874 14.479 ( 0.671 0.627 0.334) 0.978 14.511 ( 1.363 -1.343 -2.329) 3.014 14.655 ( 3.034 3.288 1.842) 4.838 14.714 ( 2.550 0.994 -3.667) 4.576 15.902 ( 1.217 -1.953 2.464) 3.372 15.921 ( 0.017 -2.690 0.564) 2.748 16.695 ( -1.637 2.136 10.371) 10.714 16.828 ( -1.984 -3.365 -2.116) 4.443 19.257 ( -2.136 5.044 8.971) 10.511 19.420 ( -3.975 1.097 -6.972) 8.101 19.592 ( -5.205 -6.308 1.920) 8.401 19.641 ( -3.624 -11.610 -2.332) 12.383 ======================= Grid point 272 (93/100) ======================= q-point: ( 0.22 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -3.308 24.255 2.565) 24.614 2.615 ( -1.425 24.014 -1.967) 24.136 2.934 ( 4.681 4.992 4.089) 7.972 3.096 ( -1.581 2.844 -4.889) 5.873 3.291 ( 7.633 -10.061 9.219) 15.636 3.475 ( 2.440 -8.071 -3.919) 9.298 3.591 ( 2.451 -9.462 -0.026) 9.775 3.669 ( 0.684 -13.621 -4.247) 14.284 3.998 ( 8.252 2.592 3.139) 9.201 4.157 ( 8.339 5.107 -7.696) 12.444 4.637 ( 6.300 -13.866 7.108) 16.807 4.795 ( -1.753 -15.885 -7.313) 17.575 5.327 ( 10.890 12.018 8.651) 18.381 5.519 ( 10.024 5.635 -8.605) 14.362 6.199 ( 12.864 1.272 0.938) 12.961 6.216 ( -6.973 8.955 18.910) 22.054 6.304 ( 10.433 -4.124 -1.134) 11.276 6.593 ( -9.437 -1.190 -8.523) 12.772 7.135 ( -13.247 8.945 3.408) 16.344 7.306 ( -14.824 2.214 -0.548) 14.998 7.415 ( -11.620 8.114 4.631) 14.910 7.676 ( -17.361 -5.121 -7.753) 19.691 8.062 ( -14.142 -1.334 -5.832) 15.355 8.137 ( -11.850 -3.959 -8.771) 15.265 8.801 ( 7.789 7.841 3.257) 11.522 8.895 ( 1.970 16.354 -5.353) 17.320 9.052 ( -1.044 5.671 9.617) 11.213 9.230 ( -8.727 9.241 -6.588) 14.316 9.820 ( -0.289 -6.346 2.703) 6.904 9.876 ( 4.782 -4.742 -3.674) 7.671 10.245 ( 3.198 -6.674 3.522) 8.196 10.322 ( 1.488 -8.084 -4.067) 9.171 10.981 ( 3.952 6.495 7.633) 10.773 11.096 ( 2.935 2.225 -2.747) 4.595 11.371 ( 8.863 4.237 7.958) 12.643 11.479 ( 6.336 -0.549 -2.358) 6.782 11.601 ( 7.544 6.236 2.981) 10.231 11.691 ( 9.314 5.868 -5.593) 12.347 12.096 ( 1.615 -9.858 5.631) 11.467 12.174 ( 3.296 -7.553 -1.803) 8.436 12.458 ( -5.427 1.835 0.539) 5.754 12.561 ( -4.619 -1.847 -9.175) 10.437 12.730 ( -4.356 -6.494 3.297) 8.487 12.852 ( -8.285 -8.513 -7.861) 14.244 13.549 ( 4.203 5.049 1.275) 6.692 13.602 ( 2.677 2.565 -3.800) 5.309 14.041 ( -2.491 2.651 2.839) 4.615 14.112 ( -4.040 0.154 -3.942) 5.646 14.513 ( 2.742 0.475 1.377) 3.105 14.545 ( 2.350 -1.527 -1.552) 3.204 14.718 ( 2.935 2.983 0.990) 4.300 14.766 ( 2.322 1.133 -3.372) 4.248 15.917 ( -0.296 1.784 2.308) 2.932 15.933 ( 1.786 1.493 0.823) 2.469 16.658 ( -1.802 -1.997 9.858) 10.219 16.787 ( -1.821 -6.887 -2.130) 7.435 19.198 ( -3.655 4.492 5.711) 8.133 19.315 ( -6.389 0.829 -5.864) 8.712 19.455 ( -8.316 -4.903 2.095) 9.878 19.536 ( -6.990 -9.685 -5.137) 13.002 ======================= Grid point 273 (94/100) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -5.176 30.193 3.090) 30.789 2.541 ( -5.482 31.110 -1.967) 31.650 3.016 ( 3.662 6.101 -1.179) 7.212 3.088 ( 0.461 3.832 -5.500) 6.719 3.458 ( 8.721 -13.053 10.627) 18.957 3.540 ( 4.053 -11.583 2.399) 12.504 3.647 ( 3.002 -11.262 0.340) 11.660 3.702 ( 2.325 -12.337 -3.702) 13.089 4.142 ( 6.132 5.764 3.155) 8.988 4.283 ( 3.664 5.904 -7.886) 10.511 4.775 ( 5.548 -18.514 1.415) 19.379 4.781 ( 2.834 -14.768 1.507) 15.113 5.559 ( 11.958 11.905 8.121) 18.726 5.739 ( 11.805 6.517 -6.725) 15.068 6.087 ( -4.751 5.606 13.657) 15.509 6.322 ( -4.421 -2.137 0.318) 4.921 6.517 ( 15.173 -1.082 6.869) 16.690 6.625 ( 5.664 2.289 -8.661) 10.599 6.890 ( -9.902 0.108 -8.669) 13.161 6.976 ( -13.877 -2.813 -9.282) 16.931 7.128 ( -14.911 4.167 0.612) 15.495 7.305 ( -19.561 -2.354 -13.193) 23.711 7.762 ( -14.495 0.779 4.574) 15.219 7.937 ( -11.016 -4.191 -11.027) 16.141 8.796 ( -6.568 22.649 7.156) 24.644 8.882 ( -3.190 17.990 -0.831) 18.290 9.098 ( 5.406 5.047 5.079) 8.972 9.197 ( 4.656 5.779 -4.535) 8.697 9.853 ( 3.702 -5.758 6.914) 9.730 9.985 ( 6.075 -6.183 -5.440) 10.234 10.299 ( -1.406 -1.962 -0.364) 2.441 10.333 ( 0.412 -4.694 -3.023) 5.598 11.019 ( 1.439 11.789 7.412) 13.999 11.125 ( 0.367 9.822 -2.733) 10.202 11.517 ( 6.256 -2.112 6.544) 9.296 11.573 ( 4.211 -3.295 0.625) 5.383 11.789 ( 10.215 2.864 4.793) 11.641 11.877 ( 8.676 2.362 -3.477) 9.641 12.121 ( 0.685 -6.848 6.447) 9.431 12.217 ( 0.592 -6.119 -3.092) 6.881 12.363 ( -3.704 -1.193 1.929) 4.343 12.500 ( -1.555 -8.286 -10.006) 13.084 12.634 ( -6.064 -8.098 -0.087) 10.117 12.689 ( -7.334 -9.863 -5.466) 13.452 13.632 ( 3.952 6.099 -0.714) 7.303 13.658 ( 2.745 4.554 -3.189) 6.200 13.992 ( -2.338 0.497 1.041) 2.607 14.033 ( -3.861 -0.651 -2.886) 4.865 14.583 ( 4.281 0.090 1.792) 4.642 14.606 ( 3.759 -1.266 -0.376) 3.984 14.755 ( 0.663 1.588 0.991) 1.986 14.790 ( -0.116 0.249 -2.054) 2.072 15.918 ( 0.756 8.783 3.237) 9.391 15.966 ( 1.363 8.293 -1.052) 8.470 16.637 ( -0.006 -8.883 9.700) 13.153 16.758 ( -1.475 -12.241 -1.334) 12.401 19.126 ( -3.372 3.431 1.978) 5.201 19.190 ( -5.859 0.818 -4.603) 7.495 19.293 ( -7.393 -3.296 0.656) 8.121 19.381 ( -8.298 -6.963 -7.131) 12.969 ======================= Grid point 274 (95/100) ======================= q-point: ( 0.44 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -1.845 35.515 1.818) 35.609 2.444 ( -3.433 35.829 -0.096) 35.994 3.074 ( 2.116 5.841 -3.438) 7.100 3.096 ( -0.132 5.120 -4.827) 7.038 3.586 ( 3.730 -12.878 9.601) 16.490 3.608 ( 1.689 -12.351 6.790) 14.195 3.703 ( 2.875 -11.548 -0.576) 11.915 3.735 ( 0.255 -11.862 -2.283) 12.083 4.239 ( 3.968 7.437 0.357) 8.437 4.297 ( -1.646 7.597 -4.498) 8.981 4.839 ( 4.045 -18.822 6.084) 20.190 4.875 ( 1.617 -18.948 3.588) 19.352 5.779 ( 10.493 8.250 3.960) 13.923 5.905 ( 0.838 9.952 -6.954) 12.170 6.069 ( 5.251 -4.593 6.212) 9.341 6.228 ( -7.053 -4.360 -4.449) 9.410 6.562 ( -1.731 3.929 -0.049) 4.294 6.664 ( -2.381 0.912 -5.095) 5.697 6.687 ( -6.144 1.579 -1.085) 6.436 6.785 ( -14.025 0.355 -7.788) 16.046 7.071 ( 9.233 3.748 -5.217) 11.247 7.185 ( 6.160 0.906 -12.856) 14.284 7.521 ( -6.420 -4.882 4.766) 9.368 7.679 ( -14.799 -7.793 -9.749) 19.359 8.727 ( -0.273 26.790 4.916) 27.239 8.777 ( -4.936 25.271 0.312) 25.751 9.222 ( 5.033 -0.287 3.204) 5.974 9.263 ( 0.930 0.894 -1.077) 1.680 9.958 ( 6.752 0.866 7.053) 9.802 10.064 ( -0.922 0.976 -1.308) 1.875 10.241 ( -0.286 -3.181 -1.024) 3.354 10.304 ( -3.746 -4.080 -5.429) 7.756 11.068 ( 3.104 15.838 4.080) 16.647 11.115 ( -1.459 15.573 -0.454) 15.648 11.609 ( 3.030 -7.894 5.203) 9.928 11.629 ( 1.072 -7.850 3.158) 8.530 11.975 ( 8.173 2.119 3.162) 9.016 12.017 ( 5.394 2.822 -1.069) 6.181 12.107 ( -1.924 -3.547 4.407) 5.975 12.164 ( -5.683 -4.574 -1.144) 7.384 12.362 ( 3.826 -7.016 2.801) 8.469 12.471 ( -5.450 -11.142 -0.025) 12.404 12.524 ( 0.117 -9.834 -8.800) 13.197 12.583 ( -4.286 -11.742 -7.542) 14.598 13.691 ( 1.865 8.075 -2.170) 8.567 13.698 ( 1.115 7.424 -2.816) 8.018 13.959 ( -0.785 -2.286 -0.370) 2.445 13.971 ( -2.121 -2.479 -1.619) 3.642 14.670 ( 4.254 -0.131 1.636) 4.560 14.684 ( 3.872 -0.687 0.315) 3.945 14.741 ( -2.010 0.045 1.301) 2.395 14.759 ( -2.838 -0.528 -0.256) 2.898 15.947 ( 1.898 14.232 1.685) 14.457 15.975 ( -0.613 14.363 -0.836) 14.400 16.663 ( 2.521 -15.221 7.443) 17.130 16.719 ( -2.638 -16.148 2.417) 16.540 19.082 ( -0.778 2.293 -0.861) 2.570 19.103 ( -2.857 1.419 -3.001) 4.380 19.199 ( -1.566 -2.938 -3.126) 4.567 19.240 ( -5.378 -4.342 -6.622) 9.573 ======================= Grid point 279 (96/100) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 0.000 -1.085 9.244) 9.307 2.815 ( 0.000 1.085 9.244) 9.307 2.953 ( 0.000 -8.010 8.687) 11.816 2.953 ( 0.000 8.010 8.687) 11.816 3.314 ( 0.000 -5.767 -6.840) 8.947 3.314 ( 0.000 5.767 -6.840) 8.947 3.477 ( 0.000 -3.036 -16.973) 17.243 3.477 ( 0.000 3.036 -16.973) 17.243 3.907 ( 0.000 -10.798 10.189) 14.846 3.907 ( 0.000 10.798 10.189) 14.846 4.458 ( 0.000 -12.382 -9.335) 15.507 4.458 ( 0.000 12.382 -9.335) 15.507 5.318 ( 0.000 -5.871 1.762) 6.130 5.318 ( 0.000 5.871 1.762) 6.130 5.965 ( 0.000 -2.953 -7.805) 8.345 5.965 ( 0.000 2.953 -7.805) 8.345 6.733 ( 0.000 -12.358 19.165) 22.804 6.733 ( 0.000 12.358 19.165) 22.804 7.713 ( 0.000 -13.215 -2.744) 13.497 7.713 ( 0.000 13.215 -2.744) 13.497 7.908 ( 0.000 -11.737 7.664) 14.017 7.908 ( 0.000 11.737 7.664) 14.017 8.338 ( 0.000 -7.219 2.416) 7.612 8.338 ( 0.000 7.219 2.416) 7.612 8.694 ( 0.000 -0.309 -2.280) 2.301 8.694 ( 0.000 0.309 -2.280) 2.301 9.103 ( 0.000 -6.958 -12.991) 14.737 9.103 ( 0.000 6.958 -12.991) 14.737 9.855 ( 0.000 -4.394 1.160) 4.544 9.855 ( 0.000 4.394 1.160) 4.544 10.608 ( 0.000 -2.847 0.794) 2.956 10.608 ( 0.000 2.847 0.794) 2.956 10.719 ( 0.000 -0.629 4.717) 4.758 10.719 ( 0.000 0.629 4.717) 4.758 10.971 ( 0.000 -6.445 -4.527) 7.876 10.971 ( 0.000 6.445 -4.527) 7.876 11.778 ( 0.000 -10.547 0.986) 10.593 11.778 ( 0.000 10.547 0.986) 10.593 11.877 ( 0.000 -9.093 -3.503) 9.744 11.877 ( 0.000 9.093 -3.503) 9.744 12.705 ( 0.000 -4.710 4.974) 6.850 12.705 ( 0.000 4.710 4.974) 6.850 12.867 ( 0.000 -8.023 -8.768) 11.885 12.867 ( 0.000 8.023 -8.768) 11.885 13.539 ( 0.000 -2.336 0.162) 2.342 13.539 ( 0.000 2.336 0.162) 2.342 14.186 ( 0.000 -3.112 0.172) 3.117 14.186 ( 0.000 3.112 0.172) 3.117 14.483 ( 0.000 -0.045 -2.079) 2.080 14.483 ( 0.000 0.045 -2.079) 2.080 14.675 ( 0.000 -1.646 -0.728) 1.800 14.675 ( 0.000 1.646 -0.728) 1.800 15.865 ( 0.000 -0.773 1.472) 1.663 15.865 ( 0.000 0.773 1.472) 1.663 16.787 ( 0.000 -3.433 4.386) 5.570 16.787 ( 0.000 3.433 4.386) 5.570 19.435 ( 0.000 -9.540 4.689) 10.630 19.435 ( 0.000 9.540 4.689) 10.630 19.521 ( 0.000 -4.328 -3.044) 5.291 19.521 ( 0.000 4.328 -3.044) 5.291 ======================= Grid point 281 (97/100) ======================= q-point: ( 0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 4.531 -0.863 10.888) 11.825 2.863 ( 4.531 0.863 10.888) 11.825 2.998 ( 3.999 -7.230 7.904) 11.434 2.998 ( 3.999 7.230 7.904) 11.434 3.281 ( -2.883 -8.629 -7.414) 11.736 3.281 ( -2.883 8.629 -7.414) 11.736 3.452 ( -2.208 -1.502 -16.732) 16.944 3.452 ( -2.208 1.502 -16.732) 16.944 3.980 ( 7.101 -9.482 9.406) 15.126 3.980 ( 7.101 9.482 9.406) 15.126 4.487 ( 2.419 -10.878 -8.307) 13.899 4.487 ( 2.419 10.878 -8.307) 13.899 5.367 ( 5.312 -5.693 1.720) 7.974 5.367 ( 5.312 5.693 1.720) 7.974 6.033 ( 7.001 -2.834 -6.746) 10.127 6.033 ( 7.001 2.834 -6.746) 10.127 6.641 ( -8.482 -11.688 17.192) 22.452 6.641 ( -8.482 11.688 17.192) 22.452 7.601 ( -11.470 -8.965 -3.708) 15.023 7.601 ( -11.470 8.965 -3.708) 15.023 7.814 ( -9.426 -7.099 3.125) 12.206 7.814 ( -9.426 7.099 3.125) 12.206 8.238 ( -7.717 -4.776 0.331) 9.081 8.238 ( -7.717 4.776 0.331) 9.081 8.828 ( 10.016 -7.580 4.891) 13.480 8.828 ( 10.016 7.580 4.891) 13.480 9.122 ( 3.270 -12.647 -13.561) 18.829 9.122 ( 3.270 12.647 -13.561) 18.829 9.978 ( 10.117 -3.956 0.195) 10.865 9.978 ( 10.117 3.956 0.195) 10.865 10.156 ( -23.673 -3.039 0.828) 23.882 10.156 ( -23.673 3.039 0.828) 23.882 10.956 ( 4.442 -3.032 4.081) 6.751 10.956 ( 4.442 3.032 4.081) 6.751 11.184 ( 19.768 -3.660 -1.679) 20.174 11.184 ( 19.768 3.660 -1.679) 20.174 11.778 ( 0.183 -10.651 1.414) 10.746 11.778 ( 0.183 10.651 1.414) 10.746 11.890 ( 1.313 -10.239 -4.048) 11.088 11.890 ( 1.313 10.239 -4.048) 11.088 12.654 ( -4.853 -4.633 3.910) 7.765 12.654 ( -4.853 4.633 3.910) 7.765 12.814 ( -5.119 -7.372 -7.690) 11.819 12.814 ( -5.119 7.372 -7.690) 11.819 13.559 ( 2.119 -2.023 -0.362) 2.952 13.559 ( 2.119 2.023 -0.362) 2.952 14.158 ( -2.658 -2.678 -0.059) 3.773 14.158 ( -2.658 2.678 -0.059) 3.773 14.491 ( 0.936 -0.632 -1.386) 1.788 14.491 ( 0.936 0.632 -1.386) 1.788 14.710 ( 2.976 -1.510 -1.212) 3.550 14.710 ( 2.976 1.510 -1.212) 3.550 15.883 ( 1.977 -0.507 1.682) 2.645 15.883 ( 1.977 0.507 1.682) 2.645 16.754 ( -3.237 -3.353 4.192) 6.269 16.754 ( -3.237 3.353 4.192) 6.269 19.406 ( -2.970 -8.659 2.985) 9.628 19.406 ( -2.970 8.659 2.985) 9.628 19.480 ( -3.964 -3.537 -2.272) 5.778 19.480 ( -3.964 3.537 -2.272) 5.778 ======================= Grid point 283 (98/100) ======================= q-point: ( 0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 3.344 -8.127 14.463) 16.924 2.954 ( 3.344 8.127 14.463) 16.924 3.097 ( 6.407 -5.399 2.850) 8.850 3.097 ( 6.407 5.399 2.850) 8.850 3.220 ( -3.005 -10.254 -5.847) 12.180 3.220 ( -3.005 10.254 -5.847) 12.180 3.425 ( 0.320 -1.719 -14.151) 14.258 3.425 ( 0.320 1.719 -14.151) 14.258 4.153 ( 9.547 -8.057 6.701) 14.176 4.153 ( 9.547 8.057 6.701) 14.176 4.528 ( 1.475 -6.980 -6.241) 9.478 4.528 ( 1.475 6.980 -6.241) 9.478 5.530 ( 10.968 -5.143 2.502) 12.369 5.530 ( 10.968 5.143 2.502) 12.369 6.224 ( 10.678 -2.544 -0.424) 10.985 6.224 ( 10.678 2.544 -0.424) 10.985 6.460 ( -7.366 -10.399 7.499) 14.786 6.460 ( -7.366 10.399 7.499) 14.786 7.293 ( -19.022 -4.128 -2.635) 19.643 7.293 ( -19.022 4.128 -2.635) 19.643 7.557 ( -16.067 -6.377 -7.216) 18.732 7.557 ( -16.067 6.377 -7.216) 18.732 8.065 ( -10.443 -2.175 -1.204) 10.735 8.065 ( -10.443 2.175 -1.204) 10.735 8.995 ( 6.362 -8.432 10.526) 14.912 8.995 ( 6.362 8.432 10.526) 14.912 9.225 ( 4.742 -10.582 -10.271) 15.491 9.225 ( 4.742 10.582 -10.271) 15.491 9.801 ( -9.251 -3.571 1.899) 10.096 9.801 ( -9.251 3.571 1.899) 10.096 10.183 ( 8.595 -3.089 -2.391) 9.441 10.183 ( 8.595 3.089 -2.391) 9.441 11.043 ( 4.992 -2.457 3.512) 6.579 11.043 ( 4.992 2.457 3.512) 6.579 11.497 ( 10.818 -1.691 2.539) 11.240 11.497 ( 10.818 1.691 2.539) 11.240 11.797 ( 2.232 -10.953 2.650) 11.488 11.797 ( 2.232 10.953 2.650) 11.488 11.932 ( 3.196 -11.457 -4.595) 12.752 11.932 ( 3.196 11.457 -4.595) 12.752 12.541 ( -5.996 -4.431 0.588) 7.479 12.541 ( -5.996 4.431 0.588) 7.479 12.683 ( -7.896 -5.500 -5.279) 10.975 12.683 ( -7.896 5.500 -5.279) 10.975 13.620 ( 3.986 -1.265 -1.249) 4.364 13.620 ( 3.986 1.265 -1.249) 4.364 14.092 ( -3.885 -1.925 -0.570) 4.373 14.092 ( -3.885 1.925 -0.570) 4.373 14.524 ( 2.499 -0.644 -0.355) 2.605 14.524 ( 2.499 0.644 -0.355) 2.605 14.765 ( 2.112 -1.234 -1.422) 2.829 14.765 ( 2.112 1.234 -1.422) 2.829 15.946 ( 4.605 -0.574 2.252) 5.158 15.946 ( 4.605 0.574 2.252) 5.158 16.669 ( -5.312 -3.422 3.562) 7.253 16.669 ( -5.312 3.422 3.562) 7.253 19.319 ( -5.777 -4.994 -0.688) 7.668 19.319 ( -5.777 4.994 -0.688) 7.668 19.379 ( -5.981 -1.455 -0.949) 6.228 19.379 ( -5.981 1.455 -0.949) 6.228 ======================= Grid point 285 (99/100) ======================= q-point: ( 0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 1.173 -11.119 9.146) 14.445 2.989 ( 1.173 11.119 9.146) 14.445 3.137 ( -2.880 -10.455 -0.956) 10.886 3.137 ( -2.880 10.455 -0.956) 10.886 3.275 ( 8.448 -5.804 0.347) 10.256 3.275 ( 8.448 5.804 0.347) 10.256 3.462 ( 2.490 -3.649 -7.066) 8.334 3.462 ( 2.490 3.649 -7.066) 8.334 4.326 ( 7.963 -8.170 3.865) 12.045 4.326 ( 7.963 8.170 3.865) 12.046 4.544 ( 0.284 -4.445 -3.972) 5.968 4.544 ( 0.284 4.445 -3.972) 5.968 5.758 ( 11.015 -4.692 5.976) 13.381 5.758 ( 11.015 4.692 5.976) 13.381 6.228 ( -5.364 -6.589 3.165) 9.067 6.228 ( -5.364 6.589 3.165) 9.067 6.585 ( 13.877 -5.558 -4.121) 15.506 6.585 ( 13.877 5.558 -4.121) 15.506 6.912 ( -17.656 -2.217 -3.548) 18.145 6.912 ( -17.656 2.217 -3.548) 18.145 7.238 ( -14.586 -4.537 -10.895) 18.762 7.238 ( -14.586 4.537 -10.895) 18.762 7.818 ( -14.793 -5.098 -2.510) 15.847 7.818 ( -14.793 5.098 -2.510) 15.847 9.080 ( 2.830 -2.697 9.571) 10.338 9.080 ( 2.830 2.697 9.571) 10.338 9.232 ( -2.753 -5.536 -3.572) 7.140 9.232 ( -2.753 5.536 -3.572) 7.140 9.825 ( 8.957 -5.676 0.404) 10.611 9.825 ( 8.957 5.676 0.404) 10.611 10.280 ( 0.789 -0.436 -2.759) 2.903 10.280 ( 0.789 0.436 -2.759) 2.903 11.160 ( 7.243 -3.109 3.605) 8.667 11.160 ( 7.243 3.109 3.605) 8.667 11.588 ( -0.956 -1.117 4.398) 4.638 11.588 ( -0.956 1.117 4.398) 4.638 11.879 ( 5.961 -6.758 3.077) 9.522 11.879 ( 5.961 6.758 3.077) 9.522 12.016 ( 4.838 -7.880 -3.422) 9.860 12.016 ( 4.838 7.880 -3.422) 9.860 12.436 ( -4.736 -4.756 -2.794) 7.270 12.436 ( -4.736 4.756 -2.794) 7.270 12.518 ( -8.566 -3.358 -3.689) 9.913 12.518 ( -8.566 3.358 -3.689) 9.913 13.709 ( 4.948 -0.528 -1.751) 5.275 13.709 ( 4.948 0.528 -1.751) 5.275 14.008 ( -4.661 -1.222 -1.198) 4.965 14.008 ( -4.661 1.222 -1.198) 4.965 14.589 ( 4.036 -0.460 0.482) 4.090 14.589 ( 4.036 0.460 0.482) 4.090 14.781 ( -0.502 -0.897 -0.791) 1.297 14.781 ( -0.502 0.897 -0.791) 1.297 16.066 ( 7.545 -2.132 2.897) 8.359 16.066 ( 7.545 2.132 2.897) 8.359 16.551 ( -6.730 -3.988 2.859) 8.328 16.551 ( -6.730 3.988 2.859) 8.328 19.203 ( -5.364 -1.885 -2.533) 6.224 19.203 ( -5.364 1.885 -2.533) 6.224 19.257 ( -6.161 -2.748 -1.923) 7.015 19.257 ( -6.161 2.748 -1.923) 7.015 ======================= Grid point 287 (100/100) ======================= q-point: ( 0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 2.475 -9.606 4.313) 10.817 3.023 ( 2.475 9.606 4.313) 10.817 3.079 ( -2.995 -8.630 1.235) 9.217 3.079 ( -2.995 8.630 1.235) 9.217 3.422 ( 5.765 -4.131 0.803) 7.138 3.422 ( 5.765 4.131 0.803) 7.138 3.485 ( -0.717 -4.215 -1.581) 4.559 3.485 ( -0.717 4.215 -1.581) 4.559 4.460 ( 5.537 -9.229 2.205) 10.986 4.460 ( 5.537 9.229 2.205) 10.986 4.533 ( -1.877 -8.200 -0.495) 8.427 4.533 ( -1.877 8.200 -0.495) 8.427 5.939 ( 8.681 -5.496 4.611) 11.261 5.939 ( 8.681 5.496 4.611) 11.261 6.121 ( -8.047 -6.598 -6.596) 12.321 6.121 ( -8.047 6.598 -6.596) 12.321 6.643 ( -0.106 -2.966 0.287) 2.982 6.643 ( -0.106 2.966 0.287) 2.982 6.758 ( -6.753 -3.325 -5.438) 9.286 6.758 ( -6.753 3.325 -5.438) 9.286 7.175 ( 12.025 -4.429 -7.965) 15.088 7.175 ( 12.025 4.429 -7.965) 15.088 7.498 ( -17.578 -6.154 -4.234) 19.099 7.498 ( -17.578 6.154 -4.234) 19.099 9.126 ( 2.219 -9.926 5.582) 11.602 9.126 ( 2.219 9.926 5.582) 11.602 9.174 ( -2.771 -10.670 1.033) 11.072 9.174 ( -2.771 10.670 1.033) 11.072 10.034 ( 10.855 -5.152 -0.499) 12.026 10.034 ( 10.855 5.152 -0.499) 12.026 10.214 ( -6.955 -3.063 -1.718) 7.791 10.214 ( -6.955 3.063 -1.718) 7.791 11.327 ( 9.410 -2.924 4.192) 10.709 11.327 ( 9.410 2.924 4.192) 10.709 11.498 ( -7.384 -1.845 4.954) 9.081 11.498 ( -7.384 1.845 4.954) 9.081 12.007 ( 6.414 -2.512 1.718) 7.099 12.007 ( 6.414 2.512 1.718) 7.099 12.080 ( 0.292 -2.459 -0.962) 2.657 12.080 ( 0.292 2.459 -0.962) 2.657 12.359 ( -2.507 -3.432 -3.646) 5.600 12.359 ( -2.507 3.432 -3.646) 5.600 12.379 ( -4.590 -3.294 -4.527) 7.239 12.379 ( -4.590 3.294 -4.527) 7.239 13.809 ( 5.247 -0.216 -1.878) 5.577 13.809 ( 5.247 0.216 -1.878) 5.577 13.912 ( -5.185 -0.632 -1.695) 5.491 13.912 ( -5.185 0.632 -1.695) 5.491 14.673 ( 4.310 -0.346 0.729) 4.385 14.673 ( 4.310 0.346 0.729) 4.385 14.746 ( -2.954 -0.513 0.174) 3.004 14.746 ( -2.954 0.513 0.174) 3.004 16.232 ( 9.074 -3.661 3.081) 10.258 16.232 ( 9.074 3.661 3.081) 10.258 16.404 ( -8.324 -4.350 2.786) 9.797 16.404 ( -8.324 4.350 2.786) 9.797 19.133 ( -1.301 -1.494 -3.273) 3.826 19.133 ( -1.301 1.494 -3.273) 3.826 19.157 ( -3.575 -2.341 -3.237) 5.361 19.157 ( -3.575 2.341 -3.237) 5.361 =================== 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 3/29160 10.0 5257.578 4303.305 6006.779 0.000 0.000 0.000 3/29160 20.0 392.809 348.776 356.660 0.000 0.000 -0.000 3/29160 30.0 120.581 107.032 107.395 0.000 0.000 -0.000 3/29160 40.0 58.935 51.730 52.210 0.000 0.000 -0.000 3/29160 50.0 36.167 31.464 32.068 0.000 0.000 -0.000 3/29160 60.0 25.255 21.878 22.509 0.000 0.000 -0.000 3/29160 70.0 19.126 16.551 17.168 0.000 0.000 -0.000 3/29160 80.0 15.296 13.247 13.838 0.000 0.000 -0.000 3/29160 90.0 12.716 11.031 11.592 0.000 0.000 -0.000 3/29160 100.0 10.874 9.457 9.986 0.000 0.000 -0.000 3/29160 110.0 9.502 8.286 8.784 0.000 0.000 -0.000 3/29160 120.0 8.442 7.384 7.852 0.000 0.000 -0.000 3/29160 130.0 7.600 6.669 7.108 0.000 0.000 -0.000 3/29160 140.0 6.915 6.087 6.501 0.000 0.000 -0.000 3/29160 150.0 6.348 5.605 5.995 0.000 0.000 -0.000 3/29160 160.0 5.870 5.199 5.566 0.000 0.000 -0.000 3/29160 170.0 5.462 4.852 5.199 0.000 0.000 -0.000 3/29160 180.0 5.109 4.551 4.880 0.000 0.000 -0.000 3/29160 190.0 4.801 4.288 4.600 0.000 0.000 -0.000 3/29160 200.0 4.529 4.055 4.352 0.000 0.000 -0.000 3/29160 210.0 4.288 3.848 4.131 0.000 0.000 -0.000 3/29160 220.0 4.072 3.663 3.933 0.000 0.000 -0.000 3/29160 230.0 3.877 3.495 3.753 0.000 0.000 -0.000 3/29160 240.0 3.701 3.343 3.590 0.000 0.000 -0.000 3/29160 250.0 3.541 3.204 3.441 0.000 0.000 -0.000 3/29160 260.0 3.395 3.077 3.305 0.000 0.000 -0.000 3/29160 270.0 3.261 2.960 3.179 0.000 0.000 -0.000 3/29160 280.0 3.137 2.852 3.063 0.000 0.000 -0.000 3/29160 290.0 3.022 2.752 2.955 0.000 0.000 -0.000 3/29160 300.0 2.916 2.659 2.855 0.000 0.000 -0.000 3/29160 310.0 2.818 2.572 2.762 0.000 0.000 -0.000 3/29160 320.0 2.725 2.491 2.674 0.000 0.000 -0.000 3/29160 330.0 2.639 2.415 2.593 0.000 0.000 -0.000 3/29160 340.0 2.559 2.344 2.516 0.000 0.000 -0.000 3/29160 350.0 2.483 2.276 2.443 0.000 0.000 -0.000 3/29160 360.0 2.411 2.213 2.375 0.000 0.000 -0.000 3/29160 370.0 2.344 2.153 2.311 0.000 0.000 -0.000 3/29160 380.0 2.280 2.097 2.249 0.000 0.000 -0.000 3/29160 390.0 2.220 2.043 2.192 0.000 0.000 -0.000 3/29160 400.0 2.163 1.992 2.137 0.000 0.000 -0.000 3/29160 410.0 2.109 1.943 2.084 0.000 0.000 -0.000 3/29160 420.0 2.058 1.897 2.035 0.000 0.000 -0.000 3/29160 430.0 2.009 1.853 1.987 0.000 0.000 -0.000 3/29160 440.0 1.962 1.811 1.942 0.000 0.000 -0.000 3/29160 450.0 1.918 1.771 1.899 0.000 0.000 -0.000 3/29160 460.0 1.875 1.733 1.858 0.000 0.000 -0.000 3/29160 470.0 1.835 1.696 1.818 0.000 0.000 -0.000 3/29160 480.0 1.796 1.661 1.780 0.000 0.000 -0.000 3/29160 490.0 1.758 1.627 1.744 0.000 0.000 -0.000 3/29160 500.0 1.723 1.595 1.709 0.000 0.000 -0.000 3/29160 510.0 1.688 1.564 1.676 0.000 0.000 -0.000 3/29160 520.0 1.655 1.534 1.644 0.000 0.000 -0.000 3/29160 530.0 1.624 1.505 1.613 0.000 0.000 -0.000 3/29160 540.0 1.593 1.477 1.583 0.000 0.000 -0.000 3/29160 550.0 1.564 1.450 1.554 0.000 0.000 -0.000 3/29160 560.0 1.536 1.425 1.526 0.000 0.000 -0.000 3/29160 570.0 1.508 1.400 1.500 0.000 0.000 -0.000 3/29160 580.0 1.482 1.376 1.474 0.000 0.000 -0.000 3/29160 590.0 1.457 1.353 1.449 0.000 0.000 -0.000 3/29160 600.0 1.432 1.330 1.425 0.000 0.000 -0.000 3/29160 610.0 1.408 1.309 1.402 0.000 0.000 -0.000 3/29160 620.0 1.386 1.288 1.379 0.000 0.000 -0.000 3/29160 630.0 1.363 1.267 1.357 0.000 0.000 -0.000 3/29160 640.0 1.342 1.248 1.336 0.000 0.000 -0.000 3/29160 650.0 1.321 1.228 1.316 0.000 0.000 -0.000 3/29160 660.0 1.301 1.210 1.296 0.000 0.000 -0.000 3/29160 670.0 1.281 1.192 1.276 0.000 0.000 -0.000 3/29160 680.0 1.262 1.174 1.258 0.000 0.000 -0.000 3/29160 690.0 1.244 1.158 1.239 0.000 0.000 -0.000 3/29160 700.0 1.226 1.141 1.222 0.000 0.000 -0.000 3/29160 710.0 1.209 1.125 1.205 0.000 0.000 -0.000 3/29160 720.0 1.192 1.110 1.188 0.000 0.000 -0.000 3/29160 730.0 1.175 1.094 1.172 0.000 0.000 -0.000 3/29160 740.0 1.159 1.080 1.156 0.000 0.000 -0.000 3/29160 750.0 1.144 1.065 1.140 0.000 0.000 -0.000 3/29160 760.0 1.129 1.051 1.126 0.000 0.000 -0.000 3/29160 770.0 1.114 1.038 1.111 0.000 0.000 -0.000 3/29160 780.0 1.099 1.025 1.097 0.000 0.000 -0.000 3/29160 790.0 1.085 1.012 1.083 0.000 0.000 -0.000 3/29160 800.0 1.072 0.999 1.069 0.000 0.000 -0.000 3/29160 810.0 1.059 0.987 1.056 0.000 0.000 -0.000 3/29160 820.0 1.046 0.975 1.043 0.000 0.000 -0.000 3/29160 830.0 1.033 0.963 1.031 0.000 0.000 -0.000 3/29160 840.0 1.021 0.952 1.019 0.000 0.000 -0.000 3/29160 850.0 1.008 0.940 1.007 0.000 0.000 -0.000 3/29160 860.0 0.997 0.930 0.995 0.000 0.000 -0.000 3/29160 870.0 0.985 0.919 0.983 0.000 0.000 -0.000 3/29160 880.0 0.974 0.909 0.972 0.000 0.000 -0.000 3/29160 890.0 0.963 0.898 0.961 0.000 0.000 -0.000 3/29160 900.0 0.952 0.888 0.951 0.000 0.000 -0.000 3/29160 910.0 0.942 0.879 0.940 0.000 0.000 -0.000 3/29160 920.0 0.931 0.869 0.930 0.000 0.000 -0.000 3/29160 930.0 0.921 0.860 0.920 0.000 0.000 -0.000 3/29160 940.0 0.912 0.851 0.910 0.000 0.000 -0.000 3/29160 950.0 0.902 0.842 0.901 0.000 0.000 -0.000 3/29160 960.0 0.892 0.833 0.891 0.000 0.000 -0.000 3/29160 970.0 0.883 0.825 0.882 0.000 0.000 -0.000 3/29160 980.0 0.874 0.816 0.873 0.000 0.000 -0.000 3/29160 990.0 0.865 0.808 0.864 0.000 0.000 -0.000 3/29160 1000.0 0.857 0.800 0.856 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m969.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:40:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|