----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:58:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnn2 (34) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.929798270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.223126100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 2 Li 0.50000000000000 0.50000000000000 0.80402965218972 6.941 *3 Li 0.50000000000000 0.00000000000000 0.19085882013028 6.941 4 Li 0.00000000000000 0.50000000000000 0.69085882013028 6.941 *5 O 0.79254718314876 0.83891121705029 0.07458758377093 15.999 6 O 0.70745281685124 0.33891121705029 0.57458758377093 15.999 7 O 0.29254718314876 0.66108878294971 0.57458758377093 15.999 *8 O 0.73412915478790 0.33649606127189 0.25182650651717 15.999 9 O 0.76587084521210 0.83649606127189 0.75182650651717 15.999 10 O 0.23412915478790 0.16350393872811 0.75182650651717 15.999 *11 O 0.79115676651812 0.31236373749391 0.91095707513841 15.999 12 O 0.26587084521210 0.66350393872811 0.25182650651717 15.999 13 O 0.29115676651812 0.18763626250609 0.41095707513841 15.999 14 O 0.20884323348188 0.68763626250609 0.91095707513841 15.999 15 O 0.70884323348188 0.81236373749391 0.41095707513841 15.999 16 O 0.20745281685124 0.16108878294971 0.07458758377093 15.999 *17 Sn 0.50000000000000 0.00000000000000 0.59552236996346 118.710 18 Sn 0.00000000000000 0.50000000000000 0.09552236996346 118.710 *19 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 20 Te 0.50000000000000 0.50000000000000 0.40474683686354 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.929798270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.223126100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.80402965218972 6.941 > 2 *3 Li 0.50000000000000 0.00000000000000 0.19085882013028 6.941 > 3 4 Li 0.00000000000000 0.50000000000000 0.69085882013028 6.941 > 4 *5 O 0.79254718314876 0.83891121705029 0.07458758377093 15.999 > 5 6 O 0.70745281685124 0.33891121705029 0.57458758377093 15.999 > 6 7 O 0.29254718314876 0.66108878294971 0.57458758377093 15.999 > 7 *8 O 0.73412915478790 0.33649606127189 0.25182650651717 15.999 > 8 9 O 0.76587084521210 0.83649606127189 0.75182650651717 15.999 > 9 10 O 0.23412915478790 0.16350393872811 0.75182650651717 15.999 > 10 *11 O 0.79115676651812 0.31236373749391 0.91095707513841 15.999 > 11 12 O 0.26587084521210 0.66350393872811 0.25182650651717 15.999 > 12 13 O 0.29115676651812 0.18763626250609 0.41095707513841 15.999 > 13 14 O 0.20884323348188 0.68763626250609 0.91095707513841 15.999 > 14 15 O 0.70884323348188 0.81236373749391 0.41095707513841 15.999 > 15 16 O 0.20745281685124 0.16108878294971 0.07458758377093 15.999 > 16 *17 Sn 0.50000000000000 0.00000000000000 0.59552236996346 118.710 > 17 18 Sn 0.00000000000000 0.50000000000000 0.09552236996346 118.710 > 18 *19 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 > 19 20 Te 0.50000000000000 0.50000000000000 0.40474683686354 127.600 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.859596540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.446252200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): *1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.30402965218972 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.30402965218972 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.30402965218972 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.80402965218972 6.941 > 2 6 Li 0.75000000000000 0.25000000000000 0.80402965218972 6.941 > 2 7 Li 0.25000000000000 0.75000000000000 0.80402965218972 6.941 > 2 8 Li 0.75000000000000 0.75000000000000 0.80402965218972 6.941 > 2 *9 Li 0.25000000000000 0.00000000000000 0.19085882013028 6.941 > 3 10 Li 0.75000000000000 0.00000000000000 0.19085882013028 6.941 > 3 11 Li 0.25000000000000 0.50000000000000 0.19085882013028 6.941 > 3 12 Li 0.75000000000000 0.50000000000000 0.19085882013028 6.941 > 3 13 Li 0.00000000000000 0.25000000000000 0.69085882013028 6.941 > 4 14 Li 0.50000000000000 0.25000000000000 0.69085882013028 6.941 > 4 15 Li 0.00000000000000 0.75000000000000 0.69085882013028 6.941 > 4 16 Li 0.50000000000000 0.75000000000000 0.69085882013028 6.941 > 4 *17 O 0.39627359157438 0.41945560852515 0.07458758377093 15.999 > 5 18 O 0.89627359157438 0.41945560852515 0.07458758377093 15.999 > 5 19 O 0.39627359157438 0.91945560852515 0.07458758377093 15.999 > 5 20 O 0.89627359157438 0.91945560852515 0.07458758377093 15.999 > 5 21 O 0.35372640842562 0.16945560852515 0.57458758377093 15.999 > 6 22 O 0.85372640842562 0.16945560852515 0.57458758377093 15.999 > 6 23 O 0.35372640842562 0.66945560852515 0.57458758377093 15.999 > 6 24 O 0.85372640842562 0.66945560852515 0.57458758377093 15.999 > 6 25 O 0.14627359157438 0.33054439147485 0.57458758377093 15.999 > 7 26 O 0.64627359157438 0.33054439147485 0.57458758377093 15.999 > 7 27 O 0.14627359157438 0.83054439147485 0.57458758377093 15.999 > 7 28 O 0.64627359157438 0.83054439147485 0.57458758377093 15.999 > 7 *29 O 0.36706457739395 0.16824803063594 0.25182650651717 15.999 > 8 30 O 0.86706457739395 0.16824803063594 0.25182650651717 15.999 > 8 31 O 0.36706457739395 0.66824803063594 0.25182650651717 15.999 > 8 32 O 0.86706457739395 0.66824803063594 0.25182650651717 15.999 > 8 33 O 0.38293542260605 0.41824803063594 0.75182650651717 15.999 > 9 34 O 0.88293542260605 0.41824803063594 0.75182650651717 15.999 > 9 35 O 0.38293542260605 0.91824803063594 0.75182650651717 15.999 > 9 36 O 0.88293542260605 0.91824803063594 0.75182650651717 15.999 > 9 37 O 0.11706457739395 0.08175196936406 0.75182650651717 15.999 > 10 38 O 0.61706457739395 0.08175196936406 0.75182650651717 15.999 > 10 39 O 0.11706457739395 0.58175196936406 0.75182650651717 15.999 > 10 40 O 0.61706457739395 0.58175196936406 0.75182650651717 15.999 > 10 *41 O 0.39557838325906 0.15618186874695 0.91095707513841 15.999 > 11 42 O 0.89557838325906 0.15618186874695 0.91095707513841 15.999 > 11 43 O 0.39557838325906 0.65618186874695 0.91095707513841 15.999 > 11 44 O 0.89557838325906 0.65618186874695 0.91095707513841 15.999 > 11 45 O 0.13293542260605 0.33175196936406 0.25182650651717 15.999 > 12 46 O 0.63293542260605 0.33175196936406 0.25182650651717 15.999 > 12 47 O 0.13293542260605 0.83175196936406 0.25182650651717 15.999 > 12 48 O 0.63293542260605 0.83175196936406 0.25182650651717 15.999 > 12 49 O 0.14557838325906 0.09381813125305 0.41095707513841 15.999 > 13 50 O 0.64557838325906 0.09381813125305 0.41095707513841 15.999 > 13 51 O 0.14557838325906 0.59381813125305 0.41095707513841 15.999 > 13 52 O 0.64557838325906 0.59381813125305 0.41095707513841 15.999 > 13 53 O 0.10442161674094 0.34381813125305 0.91095707513841 15.999 > 14 54 O 0.60442161674094 0.34381813125305 0.91095707513841 15.999 > 14 55 O 0.10442161674094 0.84381813125305 0.91095707513841 15.999 > 14 56 O 0.60442161674094 0.84381813125305 0.91095707513841 15.999 > 14 57 O 0.35442161674094 0.40618186874695 0.41095707513841 15.999 > 15 58 O 0.85442161674094 0.40618186874695 0.41095707513841 15.999 > 15 59 O 0.35442161674094 0.90618186874695 0.41095707513841 15.999 > 15 60 O 0.85442161674094 0.90618186874695 0.41095707513841 15.999 > 15 61 O 0.10372640842562 0.08054439147485 0.07458758377093 15.999 > 16 62 O 0.60372640842562 0.08054439147485 0.07458758377093 15.999 > 16 63 O 0.10372640842562 0.58054439147485 0.07458758377093 15.999 > 16 64 O 0.60372640842562 0.58054439147485 0.07458758377093 15.999 > 16 *65 Sn 0.25000000000000 0.00000000000000 0.59552236996346 118.710 > 17 66 Sn 0.75000000000000 0.00000000000000 0.59552236996346 118.710 > 17 67 Sn 0.25000000000000 0.50000000000000 0.59552236996346 118.710 > 17 68 Sn 0.75000000000000 0.50000000000000 0.59552236996346 118.710 > 17 69 Sn 0.00000000000000 0.25000000000000 0.09552236996346 118.710 > 18 70 Sn 0.50000000000000 0.25000000000000 0.09552236996346 118.710 > 18 71 Sn 0.00000000000000 0.75000000000000 0.09552236996346 118.710 > 18 72 Sn 0.50000000000000 0.75000000000000 0.09552236996346 118.710 > 18 *73 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 > 19 74 Te 0.50000000000000 0.00000000000000 0.90474683686354 127.600 > 19 75 Te 0.00000000000000 0.50000000000000 0.90474683686354 127.600 > 19 76 Te 0.50000000000000 0.50000000000000 0.90474683686354 127.600 > 19 77 Te 0.25000000000000 0.25000000000000 0.40474683686354 127.600 > 20 78 Te 0.75000000000000 0.25000000000000 0.40474683686354 127.600 > 20 79 Te 0.25000000000000 0.75000000000000 0.40474683686354 127.600 > 20 80 Te 0.75000000000000 0.75000000000000 0.40474683686354 127.600 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5002704 0.0000000 0.0000000 0.0000000 4.0105369 0.0000000 0.0000000 0.0000000 4.0379644 -------------------------- Born effective charges -------------------------- 1 Li 1.2348003 -0.0184121 0.0000000 0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 2 Li 1.2348003 0.0184121 0.0000000 -0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 3 Li 1.1253791 -0.0364354 0.0000000 0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 4 Li 1.1253791 0.0364354 0.0000000 -0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 5 O -1.4496976 0.0829860 0.2238262 -0.0241667 -2.1001347 0.4607527 0.2442386 0.3911042 -1.9322716 6 O -1.4496976 -0.0829860 -0.2238262 0.0241667 -2.1001347 0.4607527 -0.2442386 0.3911042 -1.9322716 7 O -1.4496976 -0.0829860 0.2238262 0.0241667 -2.1001347 -0.4607527 0.2442386 -0.3911042 -1.9322716 8 O -2.0858305 0.1207843 0.9303892 0.0527241 -1.6364316 -0.0825556 0.9002258 -0.1436067 -2.1771462 9 O -2.0858305 -0.1207843 -0.9303892 -0.0527241 -1.6364316 -0.0825556 -0.9002258 -0.1436067 -2.1771462 10 O -2.0858305 -0.1207843 0.9303892 -0.0527241 -1.6364316 0.0825556 0.9002258 0.1436067 -2.1771462 11 O -1.5029037 0.2418306 -0.1635418 0.1990049 -2.2589048 -0.2953020 -0.1273019 -0.3194326 -1.7984442 12 O -2.0858305 0.1207843 -0.9303892 0.0527241 -1.6364316 0.0825556 -0.9002258 0.1436067 -2.1771462 13 O -1.5029037 -0.2418306 -0.1635418 -0.1990049 -2.2589048 0.2953020 -0.1273019 0.3194326 -1.7984442 14 O -1.5029037 0.2418306 0.1635418 0.1990049 -2.2589048 0.2953020 0.1273019 0.3194326 -1.7984442 15 O -1.5029037 -0.2418306 0.1635418 -0.1990049 -2.2589048 -0.2953020 0.1273019 -0.3194326 -1.7984442 16 O -1.4496976 0.0829860 -0.2238262 -0.0241667 -2.1001347 -0.4607527 -0.2442386 -0.3911042 -1.9322716 17 Sn 3.4482439 -0.4600533 0.0000000 0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 18 Sn 3.4482439 0.4600533 0.0000000 -0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 19 Te 4.2684403 0.5266200 0.0000000 -0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 20 Te 4.2684403 -0.5266200 0.0000000 0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 ---------------------------------------------------------------------------- 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: 1868 Number of blocks in projector: 1868 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 228 Use standard eigh solver. Tree of FC basis block matrices: - (1868, 1821), data: False |-- (228, 221), data: True |-- (228, 221), data: True |-- (228, 221), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (416, 402), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.106 Solver_block: 200 / 640 - Time: 2.100 Solver_block: 300 / 640 - Time: 2.096 Solver_block: 400 / 640 - Time: 2.097 Solver_block: 500 / 640 - Time: 2.097 Solver_block: 600 / 640 - Time: 2.094 Solver_block: 640 / 640 - Time: 0.904 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.541 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1868 Number of blocks in projector: 1868 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: 416 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 228 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 228 Use standard eigh solver. Tree of FC basis block matrices: - (1868, 1821), data: False |-- (228, 221), data: True |-- (228, 221), data: True |-- (228, 221), data: True |-- (384, 378), data: True |-- (384, 378), data: True |-- (416, 402), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:58:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:37]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnn2 (34) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.929798270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.223126100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 2 Li 0.50000000000000 0.50000000000000 0.80402965218972 6.941 3 Li 0.50000000000000 0.00000000000000 0.19085882013028 6.941 4 Li 0.00000000000000 0.50000000000000 0.69085882013028 6.941 5 O 0.79254718314876 0.83891121705029 0.07458758377093 15.999 6 O 0.70745281685124 0.33891121705029 0.57458758377093 15.999 7 O 0.29254718314876 0.66108878294971 0.57458758377093 15.999 8 O 0.73412915478790 0.33649606127189 0.25182650651717 15.999 9 O 0.76587084521210 0.83649606127189 0.75182650651717 15.999 10 O 0.23412915478790 0.16350393872811 0.75182650651717 15.999 11 O 0.79115676651812 0.31236373749391 0.91095707513841 15.999 12 O 0.26587084521210 0.66350393872811 0.25182650651717 15.999 13 O 0.29115676651812 0.18763626250609 0.41095707513841 15.999 14 O 0.20884323348188 0.68763626250609 0.91095707513841 15.999 15 O 0.70884323348188 0.81236373749391 0.41095707513841 15.999 16 O 0.20745281685124 0.16108878294971 0.07458758377093 15.999 17 Sn 0.50000000000000 0.00000000000000 0.59552236996346 118.710 18 Sn 0.00000000000000 0.50000000000000 0.09552236996346 118.710 19 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 20 Te 0.50000000000000 0.50000000000000 0.40474683686354 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.859596540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.446252200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.30402965218972 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.30402965218972 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.30402965218972 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.80402965218972 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.80402965218972 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.80402965218972 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.80402965218972 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.19085882013028 6.941 > 9 10 Li 0.75000000000000 0.00000000000000 0.19085882013028 6.941 > 9 11 Li 0.25000000000000 0.50000000000000 0.19085882013028 6.941 > 9 12 Li 0.75000000000000 0.50000000000000 0.19085882013028 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.69085882013028 6.941 > 13 14 Li 0.50000000000000 0.25000000000000 0.69085882013028 6.941 > 13 15 Li 0.00000000000000 0.75000000000000 0.69085882013028 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.69085882013028 6.941 > 13 17 O 0.39627359157438 0.41945560852515 0.07458758377093 15.999 > 17 18 O 0.89627359157438 0.41945560852515 0.07458758377093 15.999 > 17 19 O 0.39627359157438 0.91945560852515 0.07458758377093 15.999 > 17 20 O 0.89627359157438 0.91945560852515 0.07458758377093 15.999 > 17 21 O 0.35372640842562 0.16945560852515 0.57458758377093 15.999 > 21 22 O 0.85372640842562 0.16945560852515 0.57458758377093 15.999 > 21 23 O 0.35372640842562 0.66945560852515 0.57458758377093 15.999 > 21 24 O 0.85372640842562 0.66945560852515 0.57458758377093 15.999 > 21 25 O 0.14627359157438 0.33054439147485 0.57458758377093 15.999 > 25 26 O 0.64627359157438 0.33054439147485 0.57458758377093 15.999 > 25 27 O 0.14627359157438 0.83054439147485 0.57458758377093 15.999 > 25 28 O 0.64627359157438 0.83054439147485 0.57458758377093 15.999 > 25 29 O 0.36706457739395 0.16824803063594 0.25182650651717 15.999 > 29 30 O 0.86706457739395 0.16824803063594 0.25182650651717 15.999 > 29 31 O 0.36706457739395 0.66824803063594 0.25182650651717 15.999 > 29 32 O 0.86706457739395 0.66824803063594 0.25182650651717 15.999 > 29 33 O 0.38293542260605 0.41824803063594 0.75182650651717 15.999 > 33 34 O 0.88293542260605 0.41824803063594 0.75182650651717 15.999 > 33 35 O 0.38293542260605 0.91824803063594 0.75182650651717 15.999 > 33 36 O 0.88293542260605 0.91824803063594 0.75182650651717 15.999 > 33 37 O 0.11706457739395 0.08175196936406 0.75182650651717 15.999 > 37 38 O 0.61706457739395 0.08175196936406 0.75182650651717 15.999 > 37 39 O 0.11706457739395 0.58175196936406 0.75182650651717 15.999 > 37 40 O 0.61706457739395 0.58175196936406 0.75182650651717 15.999 > 37 41 O 0.39557838325906 0.15618186874695 0.91095707513841 15.999 > 41 42 O 0.89557838325906 0.15618186874695 0.91095707513841 15.999 > 41 43 O 0.39557838325906 0.65618186874695 0.91095707513841 15.999 > 41 44 O 0.89557838325906 0.65618186874695 0.91095707513841 15.999 > 41 45 O 0.13293542260605 0.33175196936406 0.25182650651717 15.999 > 45 46 O 0.63293542260605 0.33175196936406 0.25182650651717 15.999 > 45 47 O 0.13293542260605 0.83175196936406 0.25182650651717 15.999 > 45 48 O 0.63293542260605 0.83175196936406 0.25182650651717 15.999 > 45 49 O 0.14557838325906 0.09381813125305 0.41095707513841 15.999 > 49 50 O 0.64557838325906 0.09381813125305 0.41095707513841 15.999 > 49 51 O 0.14557838325906 0.59381813125305 0.41095707513841 15.999 > 49 52 O 0.64557838325906 0.59381813125305 0.41095707513841 15.999 > 49 53 O 0.10442161674094 0.34381813125305 0.91095707513841 15.999 > 53 54 O 0.60442161674094 0.34381813125305 0.91095707513841 15.999 > 53 55 O 0.10442161674094 0.84381813125305 0.91095707513841 15.999 > 53 56 O 0.60442161674094 0.84381813125305 0.91095707513841 15.999 > 53 57 O 0.35442161674094 0.40618186874695 0.41095707513841 15.999 > 57 58 O 0.85442161674094 0.40618186874695 0.41095707513841 15.999 > 57 59 O 0.35442161674094 0.90618186874695 0.41095707513841 15.999 > 57 60 O 0.85442161674094 0.90618186874695 0.41095707513841 15.999 > 57 61 O 0.10372640842562 0.08054439147485 0.07458758377093 15.999 > 61 62 O 0.60372640842562 0.08054439147485 0.07458758377093 15.999 > 61 63 O 0.10372640842562 0.58054439147485 0.07458758377093 15.999 > 61 64 O 0.60372640842562 0.58054439147485 0.07458758377093 15.999 > 61 65 Sn 0.25000000000000 0.00000000000000 0.59552236996346 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.59552236996346 118.710 > 65 67 Sn 0.25000000000000 0.50000000000000 0.59552236996346 118.710 > 65 68 Sn 0.75000000000000 0.50000000000000 0.59552236996346 118.710 > 65 69 Sn 0.00000000000000 0.25000000000000 0.09552236996346 118.710 > 69 70 Sn 0.50000000000000 0.25000000000000 0.09552236996346 118.710 > 69 71 Sn 0.00000000000000 0.75000000000000 0.09552236996346 118.710 > 69 72 Sn 0.50000000000000 0.75000000000000 0.09552236996346 118.710 > 69 73 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.90474683686354 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.90474683686354 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.90474683686354 127.600 > 73 77 Te 0.25000000000000 0.25000000000000 0.40474683686354 127.600 > 77 78 Te 0.75000000000000 0.25000000000000 0.40474683686354 127.600 > 77 79 Te 0.25000000000000 0.75000000000000 0.40474683686354 127.600 > 77 80 Te 0.75000000000000 0.75000000000000 0.40474683686354 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5002704 0.0000000 0.0000000 0.0000000 4.0105369 0.0000000 0.0000000 0.0000000 4.0379644 -------------------------- Born effective charges -------------------------- 1 Li 1.2348003 -0.0184121 0.0000000 0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 2 Li 1.2348003 0.0184121 0.0000000 -0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 3 Li 1.1253791 -0.0364354 0.0000000 0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 4 Li 1.1253791 0.0364354 0.0000000 -0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 5 O -1.4496976 0.0829860 0.2238262 -0.0241667 -2.1001347 0.4607527 0.2442386 0.3911042 -1.9322716 6 O -1.4496976 -0.0829860 -0.2238262 0.0241667 -2.1001347 0.4607527 -0.2442386 0.3911042 -1.9322716 7 O -1.4496976 -0.0829860 0.2238262 0.0241667 -2.1001347 -0.4607527 0.2442386 -0.3911042 -1.9322716 8 O -2.0858305 0.1207843 0.9303892 0.0527241 -1.6364316 -0.0825556 0.9002258 -0.1436067 -2.1771462 9 O -2.0858305 -0.1207843 -0.9303892 -0.0527241 -1.6364316 -0.0825556 -0.9002258 -0.1436067 -2.1771462 10 O -2.0858305 -0.1207843 0.9303892 -0.0527241 -1.6364316 0.0825556 0.9002258 0.1436067 -2.1771462 11 O -1.5029037 0.2418306 -0.1635418 0.1990049 -2.2589048 -0.2953020 -0.1273019 -0.3194326 -1.7984442 12 O -2.0858305 0.1207843 -0.9303892 0.0527241 -1.6364316 0.0825556 -0.9002258 0.1436067 -2.1771462 13 O -1.5029037 -0.2418306 -0.1635418 -0.1990049 -2.2589048 0.2953020 -0.1273019 0.3194326 -1.7984442 14 O -1.5029037 0.2418306 0.1635418 0.1990049 -2.2589048 0.2953020 0.1273019 0.3194326 -1.7984442 15 O -1.5029037 -0.2418306 0.1635418 -0.1990049 -2.2589048 -0.2953020 0.1273019 -0.3194326 -1.7984442 16 O -1.4496976 0.0829860 -0.2238262 -0.0241667 -2.1001347 -0.4607527 -0.2442386 -0.3911042 -1.9322716 17 Sn 3.4482439 -0.4600533 0.0000000 0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 18 Sn 3.4482439 0.4600533 0.0000000 -0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 19 Te 4.2684403 0.5266200 0.0000000 -0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 20 Te 4.2684403 -0.5266200 0.0000000 0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 ---------------------------------------------------------------------------- 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[ 9, 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[ 29, 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[ 41, 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[ 65, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 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: -0.00000007 (xzx) -0.00000007 (xzx) -0.00000007 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000012 (xy) -0.00000012 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:58:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:58:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnn2 (34) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.929798270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.223126100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 2 Li 0.50000000000000 0.50000000000000 0.80402965218972 6.941 3 Li 0.50000000000000 0.00000000000000 0.19085882013028 6.941 4 Li 0.00000000000000 0.50000000000000 0.69085882013028 6.941 5 O 0.79254718314876 0.83891121705029 0.07458758377093 15.999 6 O 0.70745281685124 0.33891121705029 0.57458758377093 15.999 7 O 0.29254718314876 0.66108878294971 0.57458758377093 15.999 8 O 0.73412915478790 0.33649606127189 0.25182650651717 15.999 9 O 0.76587084521210 0.83649606127189 0.75182650651717 15.999 10 O 0.23412915478790 0.16350393872811 0.75182650651717 15.999 11 O 0.79115676651812 0.31236373749391 0.91095707513841 15.999 12 O 0.26587084521210 0.66350393872811 0.25182650651717 15.999 13 O 0.29115676651812 0.18763626250609 0.41095707513841 15.999 14 O 0.20884323348188 0.68763626250609 0.91095707513841 15.999 15 O 0.70884323348188 0.81236373749391 0.41095707513841 15.999 16 O 0.20745281685124 0.16108878294971 0.07458758377093 15.999 17 Sn 0.50000000000000 0.00000000000000 0.59552236996346 118.710 18 Sn 0.00000000000000 0.50000000000000 0.09552236996346 118.710 19 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 20 Te 0.50000000000000 0.50000000000000 0.40474683686354 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.859596540000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.446252200000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.540484540000000 Atomic positions (fractional): 1 Li 0.00000000000000 0.00000000000000 0.30402965218972 6.941 > 1 2 Li 0.50000000000000 0.00000000000000 0.30402965218972 6.941 > 1 3 Li 0.00000000000000 0.50000000000000 0.30402965218972 6.941 > 1 4 Li 0.50000000000000 0.50000000000000 0.30402965218972 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.80402965218972 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.80402965218972 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.80402965218972 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.80402965218972 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.19085882013028 6.941 > 9 10 Li 0.75000000000000 0.00000000000000 0.19085882013028 6.941 > 9 11 Li 0.25000000000000 0.50000000000000 0.19085882013028 6.941 > 9 12 Li 0.75000000000000 0.50000000000000 0.19085882013028 6.941 > 9 13 Li 0.00000000000000 0.25000000000000 0.69085882013028 6.941 > 13 14 Li 0.50000000000000 0.25000000000000 0.69085882013028 6.941 > 13 15 Li 0.00000000000000 0.75000000000000 0.69085882013028 6.941 > 13 16 Li 0.50000000000000 0.75000000000000 0.69085882013028 6.941 > 13 17 O 0.39627359157438 0.41945560852515 0.07458758377093 15.999 > 17 18 O 0.89627359157438 0.41945560852515 0.07458758377093 15.999 > 17 19 O 0.39627359157438 0.91945560852515 0.07458758377093 15.999 > 17 20 O 0.89627359157438 0.91945560852515 0.07458758377093 15.999 > 17 21 O 0.35372640842562 0.16945560852515 0.57458758377093 15.999 > 21 22 O 0.85372640842562 0.16945560852515 0.57458758377093 15.999 > 21 23 O 0.35372640842562 0.66945560852515 0.57458758377093 15.999 > 21 24 O 0.85372640842562 0.66945560852515 0.57458758377093 15.999 > 21 25 O 0.14627359157438 0.33054439147485 0.57458758377093 15.999 > 25 26 O 0.64627359157438 0.33054439147485 0.57458758377093 15.999 > 25 27 O 0.14627359157438 0.83054439147485 0.57458758377093 15.999 > 25 28 O 0.64627359157438 0.83054439147485 0.57458758377093 15.999 > 25 29 O 0.36706457739395 0.16824803063594 0.25182650651717 15.999 > 29 30 O 0.86706457739395 0.16824803063594 0.25182650651717 15.999 > 29 31 O 0.36706457739395 0.66824803063594 0.25182650651717 15.999 > 29 32 O 0.86706457739395 0.66824803063594 0.25182650651717 15.999 > 29 33 O 0.38293542260605 0.41824803063594 0.75182650651717 15.999 > 33 34 O 0.88293542260605 0.41824803063594 0.75182650651717 15.999 > 33 35 O 0.38293542260605 0.91824803063594 0.75182650651717 15.999 > 33 36 O 0.88293542260605 0.91824803063594 0.75182650651717 15.999 > 33 37 O 0.11706457739395 0.08175196936406 0.75182650651717 15.999 > 37 38 O 0.61706457739395 0.08175196936406 0.75182650651717 15.999 > 37 39 O 0.11706457739395 0.58175196936406 0.75182650651717 15.999 > 37 40 O 0.61706457739395 0.58175196936406 0.75182650651717 15.999 > 37 41 O 0.39557838325906 0.15618186874695 0.91095707513841 15.999 > 41 42 O 0.89557838325906 0.15618186874695 0.91095707513841 15.999 > 41 43 O 0.39557838325906 0.65618186874695 0.91095707513841 15.999 > 41 44 O 0.89557838325906 0.65618186874695 0.91095707513841 15.999 > 41 45 O 0.13293542260605 0.33175196936406 0.25182650651717 15.999 > 45 46 O 0.63293542260605 0.33175196936406 0.25182650651717 15.999 > 45 47 O 0.13293542260605 0.83175196936406 0.25182650651717 15.999 > 45 48 O 0.63293542260605 0.83175196936406 0.25182650651717 15.999 > 45 49 O 0.14557838325906 0.09381813125305 0.41095707513841 15.999 > 49 50 O 0.64557838325906 0.09381813125305 0.41095707513841 15.999 > 49 51 O 0.14557838325906 0.59381813125305 0.41095707513841 15.999 > 49 52 O 0.64557838325906 0.59381813125305 0.41095707513841 15.999 > 49 53 O 0.10442161674094 0.34381813125305 0.91095707513841 15.999 > 53 54 O 0.60442161674094 0.34381813125305 0.91095707513841 15.999 > 53 55 O 0.10442161674094 0.84381813125305 0.91095707513841 15.999 > 53 56 O 0.60442161674094 0.84381813125305 0.91095707513841 15.999 > 53 57 O 0.35442161674094 0.40618186874695 0.41095707513841 15.999 > 57 58 O 0.85442161674094 0.40618186874695 0.41095707513841 15.999 > 57 59 O 0.35442161674094 0.90618186874695 0.41095707513841 15.999 > 57 60 O 0.85442161674094 0.90618186874695 0.41095707513841 15.999 > 57 61 O 0.10372640842562 0.08054439147485 0.07458758377093 15.999 > 61 62 O 0.60372640842562 0.08054439147485 0.07458758377093 15.999 > 61 63 O 0.10372640842562 0.58054439147485 0.07458758377093 15.999 > 61 64 O 0.60372640842562 0.58054439147485 0.07458758377093 15.999 > 61 65 Sn 0.25000000000000 0.00000000000000 0.59552236996346 118.710 > 65 66 Sn 0.75000000000000 0.00000000000000 0.59552236996346 118.710 > 65 67 Sn 0.25000000000000 0.50000000000000 0.59552236996346 118.710 > 65 68 Sn 0.75000000000000 0.50000000000000 0.59552236996346 118.710 > 65 69 Sn 0.00000000000000 0.25000000000000 0.09552236996346 118.710 > 69 70 Sn 0.50000000000000 0.25000000000000 0.09552236996346 118.710 > 69 71 Sn 0.00000000000000 0.75000000000000 0.09552236996346 118.710 > 69 72 Sn 0.50000000000000 0.75000000000000 0.09552236996346 118.710 > 69 73 Te 0.00000000000000 0.00000000000000 0.90474683686354 127.600 > 73 74 Te 0.50000000000000 0.00000000000000 0.90474683686354 127.600 > 73 75 Te 0.00000000000000 0.50000000000000 0.90474683686354 127.600 > 73 76 Te 0.50000000000000 0.50000000000000 0.90474683686354 127.600 > 73 77 Te 0.25000000000000 0.25000000000000 0.40474683686354 127.600 > 77 78 Te 0.75000000000000 0.25000000000000 0.40474683686354 127.600 > 77 79 Te 0.25000000000000 0.75000000000000 0.40474683686354 127.600 > 77 80 Te 0.75000000000000 0.75000000000000 0.40474683686354 127.600 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5002704 0.0000000 0.0000000 0.0000000 4.0105369 0.0000000 0.0000000 0.0000000 4.0379644 -------------------------- Born effective charges -------------------------- 1 Li 1.2348003 -0.0184121 0.0000000 0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 2 Li 1.2348003 0.0184121 0.0000000 -0.0517280 1.2485349 0.0000000 0.0000000 -0.0000000 1.1060740 3 Li 1.1253791 -0.0364354 0.0000000 0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 4 Li 1.1253791 0.0364354 0.0000000 -0.0114770 1.1864636 0.0000000 0.0000000 -0.0000000 1.1221848 5 O -1.4496976 0.0829860 0.2238262 -0.0241667 -2.1001347 0.4607527 0.2442386 0.3911042 -1.9322716 6 O -1.4496976 -0.0829860 -0.2238262 0.0241667 -2.1001347 0.4607527 -0.2442386 0.3911042 -1.9322716 7 O -1.4496976 -0.0829860 0.2238262 0.0241667 -2.1001347 -0.4607527 0.2442386 -0.3911042 -1.9322716 8 O -2.0858305 0.1207843 0.9303892 0.0527241 -1.6364316 -0.0825556 0.9002258 -0.1436067 -2.1771462 9 O -2.0858305 -0.1207843 -0.9303892 -0.0527241 -1.6364316 -0.0825556 -0.9002258 -0.1436067 -2.1771462 10 O -2.0858305 -0.1207843 0.9303892 -0.0527241 -1.6364316 0.0825556 0.9002258 0.1436067 -2.1771462 11 O -1.5029037 0.2418306 -0.1635418 0.1990049 -2.2589048 -0.2953020 -0.1273019 -0.3194326 -1.7984442 12 O -2.0858305 0.1207843 -0.9303892 0.0527241 -1.6364316 0.0825556 -0.9002258 0.1436067 -2.1771462 13 O -1.5029037 -0.2418306 -0.1635418 -0.1990049 -2.2589048 0.2953020 -0.1273019 0.3194326 -1.7984442 14 O -1.5029037 0.2418306 0.1635418 0.1990049 -2.2589048 0.2953020 0.1273019 0.3194326 -1.7984442 15 O -1.5029037 -0.2418306 0.1635418 -0.1990049 -2.2589048 -0.2953020 0.1273019 -0.3194326 -1.7984442 16 O -1.4496976 0.0829860 -0.2238262 -0.0241667 -2.1001347 -0.4607527 -0.2442386 -0.3911042 -1.9322716 17 Sn 3.4482439 -0.4600533 0.0000000 0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 18 Sn 3.4482439 0.4600533 0.0000000 -0.0263694 4.3450218 0.0000000 0.0000000 -0.0000000 4.3484028 19 Te 4.2684403 0.5266200 0.0000000 -0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 20 Te 4.2684403 -0.5266200 0.0000000 0.0034659 5.2109217 0.0000000 0.0000000 -0.0000000 5.2390625 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (xzx) -0.00000007 (xzx) -0.00000007 (xxz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 10 6 ] 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: 0.69, Number of G-points: 299, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/144) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 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 2.308 ( 0.000 0.000 0.000) 0.000 2.590 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 -0.000) 0.000 5.818 ( 0.000 0.000 -0.000) 0.000 6.386 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 -0.000) 0.000 7.251 ( 0.000 0.000 -0.000) 0.000 7.294 ( 0.000 0.000 0.000) 0.000 7.336 ( 0.000 0.000 -0.000) 0.000 7.614 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 -0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 8.002 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 -0.000) 0.000 8.597 ( 0.000 0.000 -0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 -0.000) 0.000 9.333 ( 0.000 0.000 0.000) 0.000 9.481 ( 0.000 0.000 -0.000) 0.000 10.160 ( 0.000 0.000 -0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.131 ( 0.000 0.000 -0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 14.238 ( 0.000 0.000 0.000) 0.000 14.297 ( 0.000 0.000 -0.000) 0.000 14.340 ( 0.000 0.000 0.000) 0.000 14.678 ( 0.000 0.000 -0.000) 0.000 15.008 ( 0.000 0.000 0.000) 0.000 15.605 ( 0.000 0.000 -0.000) 0.000 16.693 ( 0.000 0.000 -0.000) 0.000 16.792 ( 0.000 0.000 0.000) 0.000 16.994 ( 0.000 0.000 0.000) 0.000 17.704 ( 0.000 0.000 0.000) 0.000 17.900 ( 0.000 0.000 0.000) 0.000 17.922 ( 0.000 0.000 0.000) 0.000 17.945 ( 0.000 0.000 -0.000) 0.000 19.000 ( 0.000 0.000 -0.000) 0.000 19.265 ( 0.000 0.000 0.000) 0.000 19.525 ( 0.000 0.000 -0.000) 0.000 19.549 ( 0.000 0.000 0.000) 0.000 20.255 ( 0.000 0.000 0.000) 0.000 20.416 ( 0.000 0.000 0.000) 0.000 20.502 ( 0.000 0.000 -0.000) 0.000 21.166 ( 0.000 0.000 0.000) 0.000 22.366 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/144) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 28.380 0.000 0.000) 28.380 0.697 ( 35.380 0.000 0.000) 35.380 1.007 ( 46.357 0.000 0.000) 46.357 2.441 ( 12.576 0.000 0.000) 12.576 2.874 ( 1.362 0.000 0.000) 1.362 3.889 ( 1.332 0.000 0.000) 1.332 4.338 ( -2.643 0.000 0.000) 2.643 4.920 ( 0.149 0.000 0.000) 0.149 4.997 ( -6.920 0.000 0.000) 6.920 5.308 ( -3.465 0.000 0.000) 3.465 5.349 ( 5.716 0.000 0.000) 5.716 5.634 ( 12.205 0.000 0.000) 12.205 6.083 ( -12.109 0.000 0.000) 12.109 6.270 ( -7.219 0.000 0.000) 7.219 6.736 ( 9.188 0.000 0.000) 9.188 7.201 ( -4.810 0.000 0.000) 4.810 7.377 ( 7.207 0.000 0.000) 7.207 7.526 ( -8.167 0.000 0.000) 8.167 7.537 ( -5.311 0.000 0.000) 5.311 7.718 ( -9.485 0.000 0.000) 9.485 7.815 ( 7.241 0.000 0.000) 7.241 8.386 ( 4.552 0.000 0.000) 4.552 8.631 ( 3.339 0.000 0.000) 3.339 8.752 ( -1.967 0.000 0.000) 1.967 9.029 ( -0.329 0.000 0.000) 0.329 9.238 ( -1.435 0.000 0.000) 1.435 9.346 ( 1.454 0.000 0.000) 1.454 9.541 ( 4.970 0.000 0.000) 4.970 10.144 ( -8.111 0.000 0.000) 8.111 10.185 ( 2.464 0.000 0.000) 2.464 10.894 ( -8.860 0.000 0.000) 8.860 11.171 ( 4.116 0.000 0.000) 4.116 11.453 ( -7.479 0.000 0.000) 7.479 11.580 ( 16.182 0.000 0.000) 16.182 12.674 ( -1.540 0.000 0.000) 1.540 12.837 ( 3.305 0.000 0.000) 3.305 13.177 ( 4.532 0.000 0.000) 4.532 13.473 ( 4.515 0.000 0.000) 4.515 14.119 ( -9.299 0.000 0.000) 9.299 14.362 ( 1.750 0.000 0.000) 1.750 14.392 ( 3.355 0.000 0.000) 3.355 14.933 ( -7.240 0.000 0.000) 7.240 14.961 ( 1.729 0.000 0.000) 1.729 15.444 ( -14.675 0.000 0.000) 14.675 16.675 ( -1.801 0.000 0.000) 1.801 16.747 ( -4.193 0.000 0.000) 4.193 17.140 ( -3.051 0.000 0.000) 3.051 17.665 ( -3.785 0.000 0.000) 3.785 17.930 ( 0.786 0.000 0.000) 0.786 18.030 ( 7.506 0.000 0.000) 7.506 18.852 ( -10.167 0.000 0.000) 10.167 19.015 ( 1.517 0.000 0.000) 1.517 19.375 ( 6.943 0.000 0.000) 6.943 19.533 ( -1.533 0.000 0.000) 1.533 20.319 ( 5.717 0.000 0.000) 5.717 20.380 ( -0.848 0.000 0.000) 0.848 20.518 ( 1.592 0.000 0.000) 1.592 21.160 ( -0.673 0.000 0.000) 0.673 22.335 ( -2.931 0.000 0.000) 2.931 22.440 ( -1.480 0.000 0.000) 1.480 ======================= Grid point 2 (3/144) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 25.910 0.000 0.000) 25.910 1.392 ( 33.105 0.000 0.000) 33.105 1.856 ( 36.054 0.000 0.000) 36.054 2.778 ( 19.456 0.000 0.000) 19.456 2.904 ( 1.236 0.000 0.000) 1.236 3.885 ( -2.662 0.000 0.000) 2.662 4.251 ( -6.024 0.000 0.000) 6.024 4.920 ( -0.232 0.000 0.000) 0.232 4.926 ( 0.440 0.000 0.000) 0.440 5.212 ( -5.621 0.000 0.000) 5.621 5.448 ( 4.672 0.000 0.000) 4.672 5.864 ( -8.100 0.000 0.000) 8.100 5.940 ( 16.177 0.000 0.000) 16.177 6.114 ( -7.535 0.000 0.000) 7.535 6.901 ( 7.197 0.000 0.000) 7.197 7.067 ( -7.880 0.000 0.000) 7.880 7.348 ( -7.932 0.000 0.000) 7.932 7.388 ( -7.220 0.000 0.000) 7.220 7.498 ( -11.446 0.000 0.000) 11.446 7.568 ( 8.103 0.000 0.000) 8.103 7.983 ( 8.988 0.000 0.000) 8.988 8.442 ( 0.686 0.000 0.000) 0.686 8.689 ( -4.033 0.000 0.000) 4.033 8.721 ( 4.874 0.000 0.000) 4.874 9.025 ( -0.068 0.000 0.000) 0.068 9.190 ( -3.345 0.000 0.000) 3.345 9.402 ( 4.113 0.000 0.000) 4.113 9.630 ( 2.677 0.000 0.000) 2.677 9.952 ( -9.526 0.000 0.000) 9.526 10.262 ( 5.005 0.000 0.000) 5.005 10.721 ( -7.722 0.000 0.000) 7.722 11.082 ( -13.090 0.000 0.000) 13.090 11.500 ( 13.308 0.000 0.000) 13.308 11.946 ( 18.971 0.000 0.000) 18.971 12.637 ( -1.863 0.000 0.000) 1.863 12.900 ( 2.277 0.000 0.000) 2.277 13.312 ( 8.614 0.000 0.000) 8.614 13.592 ( 6.620 0.000 0.000) 6.620 13.893 ( -12.533 0.000 0.000) 12.533 14.359 ( -5.046 0.000 0.000) 5.046 14.455 ( 2.742 0.000 0.000) 2.742 14.734 ( -10.822 0.000 0.000) 10.822 14.984 ( 0.093 0.000 0.000) 0.093 15.098 ( -16.532 0.000 0.000) 16.532 16.621 ( -3.556 0.000 0.000) 3.556 16.632 ( -6.795 0.000 0.000) 6.795 17.061 ( -4.361 0.000 0.000) 4.361 17.546 ( -7.869 0.000 0.000) 7.869 17.954 ( 1.602 0.000 0.000) 1.602 18.210 ( 9.072 0.000 0.000) 9.072 18.671 ( -6.582 0.000 0.000) 6.582 19.059 ( 2.747 0.000 0.000) 2.747 19.490 ( -2.587 0.000 0.000) 2.587 19.496 ( 4.865 0.000 0.000) 4.865 20.362 ( -0.749 0.000 0.000) 0.749 20.441 ( 4.648 0.000 0.000) 4.648 20.574 ( 4.571 0.000 0.000) 4.571 21.137 ( -1.554 0.000 0.000) 1.554 22.260 ( -3.982 0.000 0.000) 3.982 22.396 ( -2.772 0.000 0.000) 2.772 ======================= Grid point 3 (4/144) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 22.447 0.000 0.000) 22.447 2.033 ( 29.859 0.000 0.000) 29.859 2.427 ( 19.071 0.000 0.000) 19.071 2.922 ( 1.374 0.000 0.000) 1.374 3.172 ( 17.225 0.000 0.000) 17.225 3.763 ( -9.122 0.000 0.000) 9.122 4.116 ( -5.776 0.000 0.000) 5.776 4.907 ( -1.820 0.000 0.000) 1.820 5.002 ( 5.919 0.000 0.000) 5.919 5.096 ( -4.969 0.000 0.000) 4.969 5.540 ( 4.119 0.000 0.000) 4.119 5.753 ( -4.086 0.000 0.000) 4.086 6.013 ( -0.745 0.000 0.000) 0.745 6.223 ( 10.070 0.000 0.000) 10.070 6.922 ( -5.194 0.000 0.000) 5.194 7.026 ( 4.170 0.000 0.000) 4.170 7.230 ( -4.543 0.000 0.000) 4.543 7.235 ( -6.336 0.000 0.000) 6.336 7.297 ( -6.162 0.000 0.000) 6.162 7.669 ( 0.055 0.000 0.000) 0.055 8.172 ( 9.705 0.000 0.000) 9.705 8.429 ( -1.362 0.000 0.000) 1.362 8.615 ( -2.430 0.000 0.000) 2.430 8.793 ( 1.532 0.000 0.000) 1.532 9.024 ( -0.160 0.000 0.000) 0.160 9.103 ( -5.014 0.000 0.000) 5.014 9.489 ( 3.105 0.000 0.000) 3.105 9.631 ( -2.275 0.000 0.000) 2.275 9.820 ( -1.637 0.000 0.000) 1.637 10.364 ( 3.690 0.000 0.000) 3.690 10.596 ( -4.308 0.000 0.000) 4.308 10.799 ( -12.942 0.000 0.000) 12.942 11.861 ( 20.970 0.000 0.000) 20.970 12.325 ( 17.930 0.000 0.000) 17.930 12.611 ( -0.326 0.000 0.000) 0.326 12.915 ( -0.962 0.000 0.000) 0.962 13.514 ( 10.507 0.000 0.000) 10.507 13.586 ( -14.090 0.000 0.000) 14.090 13.757 ( 5.798 0.000 0.000) 5.798 14.046 ( -22.770 0.000 0.000) 22.770 14.495 ( 0.829 0.000 0.000) 0.829 14.569 ( -7.237 0.000 0.000) 7.237 14.876 ( -4.477 0.000 0.000) 4.477 14.955 ( -2.796 0.000 0.000) 2.796 16.490 ( -6.737 0.000 0.000) 6.737 16.530 ( -5.284 0.000 0.000) 5.284 16.987 ( -2.304 0.000 0.000) 2.304 17.365 ( -9.393 0.000 0.000) 9.393 17.994 ( 2.395 0.000 0.000) 2.395 18.311 ( -0.944 0.000 0.000) 0.944 18.651 ( 5.761 0.000 0.000) 5.761 19.116 ( 2.361 0.000 0.000) 2.361 19.438 ( -2.038 0.000 0.000) 2.038 19.568 ( 2.021 0.000 0.000) 2.021 20.357 ( 0.324 0.000 0.000) 0.324 20.481 ( -0.018 0.000 0.000) 0.018 20.701 ( 6.919 0.000 0.000) 6.919 21.095 ( -2.635 0.000 0.000) 2.635 22.190 ( -2.600 0.000 0.000) 2.600 22.330 ( -3.607 0.000 0.000) 3.607 ======================= Grid point 4 (5/144) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 18.436 0.000 0.000) 18.436 2.560 ( 2.481 0.000 0.000) 2.481 2.606 ( 18.845 0.000 0.000) 18.845 3.041 ( 10.801 0.000 0.000) 10.801 3.328 ( -5.003 0.000 0.000) 5.003 3.545 ( -11.625 0.000 0.000) 11.625 4.138 ( 10.458 0.000 0.000) 10.458 4.769 ( -12.176 0.000 0.000) 12.176 5.070 ( 2.051 0.000 0.000) 2.051 5.108 ( 3.305 0.000 0.000) 3.305 5.606 ( 2.345 0.000 0.000) 2.345 5.676 ( -2.971 0.000 0.000) 2.971 6.094 ( 7.199 0.000 0.000) 7.199 6.313 ( -0.606 0.000 0.000) 0.606 6.872 ( -0.710 0.000 0.000) 0.710 6.987 ( -6.204 0.000 0.000) 6.204 7.166 ( 1.127 0.000 0.000) 1.127 7.226 ( 3.814 0.000 0.000) 3.814 7.285 ( 2.236 0.000 0.000) 2.236 7.553 ( -10.341 0.000 0.000) 10.341 8.364 ( 8.247 0.000 0.000) 8.247 8.414 ( 0.465 0.000 0.000) 0.465 8.602 ( 0.834 0.000 0.000) 0.834 8.771 ( -3.607 0.000 0.000) 3.607 9.009 ( -3.378 0.000 0.000) 3.378 9.013 ( -1.078 0.000 0.000) 1.078 9.502 ( -0.611 0.000 0.000) 0.611 9.564 ( -3.602 0.000 0.000) 3.602 9.912 ( 9.124 0.000 0.000) 9.124 10.331 ( -7.709 0.000 0.000) 7.709 10.553 ( 0.085 0.000 0.000) 0.085 10.628 ( -3.438 0.000 0.000) 3.438 12.312 ( 22.659 0.000 0.000) 22.659 12.631 ( 4.709 0.000 0.000) 4.709 12.665 ( 12.820 0.000 0.000) 12.820 12.856 ( -4.810 0.000 0.000) 4.810 13.260 ( -16.623 0.000 0.000) 16.623 13.475 ( -19.831 0.000 0.000) 19.831 13.827 ( 8.001 0.000 0.000) 8.001 13.885 ( 5.784 0.000 0.000) 5.784 14.412 ( -6.766 0.000 0.000) 6.766 14.466 ( -4.065 0.000 0.000) 4.065 14.857 ( 0.647 0.000 0.000) 0.647 14.894 ( -2.429 0.000 0.000) 2.429 16.380 ( -3.616 0.000 0.000) 3.616 16.421 ( -4.878 0.000 0.000) 4.878 16.980 ( 1.612 0.000 0.000) 1.612 17.185 ( -7.988 0.000 0.000) 7.988 18.052 ( 3.308 0.000 0.000) 3.308 18.231 ( -5.177 0.000 0.000) 5.177 18.830 ( 9.848 0.000 0.000) 9.848 19.120 ( -2.652 0.000 0.000) 2.652 19.434 ( 2.132 0.000 0.000) 2.132 19.571 ( -1.742 0.000 0.000) 1.742 20.377 ( 1.613 0.000 0.000) 1.613 20.460 ( -1.770 0.000 0.000) 1.770 20.833 ( 5.947 0.000 0.000) 5.947 21.030 ( -3.782 0.000 0.000) 3.782 22.164 ( 0.103 0.000 0.000) 0.103 22.255 ( -3.621 0.000 0.000) 3.621 ======================= Grid point 5 (6/144) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -13.528 0.000 0.000) 13.528 2.375 ( 13.528 0.000 0.000) 13.528 3.052 ( -19.184 0.000 0.000) 19.184 3.052 ( 19.184 0.000 0.000) 19.184 3.294 ( -13.004 0.000 0.000) 13.004 3.294 ( 13.004 0.000 0.000) 13.004 4.456 ( -17.517 0.000 0.000) 17.517 4.456 ( 17.517 0.000 0.000) 17.517 5.120 ( -1.733 0.000 0.000) 1.733 5.120 ( 1.733 0.000 0.000) 1.733 5.638 ( -1.183 0.000 0.000) 1.183 5.638 ( 1.183 0.000 0.000) 1.183 6.240 ( -6.029 0.000 0.000) 6.029 6.240 ( 6.029 0.000 0.000) 6.029 6.885 ( -2.809 0.000 0.000) 2.809 6.885 ( 2.809 0.000 0.000) 2.809 7.267 ( -3.157 0.000 0.000) 3.157 7.267 ( 3.157 0.000 0.000) 3.157 7.339 ( -6.503 0.000 0.000) 6.503 7.339 ( 6.503 0.000 0.000) 6.503 8.441 ( -0.807 0.000 0.000) 0.807 8.441 ( 0.807 0.000 0.000) 0.807 8.667 ( -5.651 0.000 0.000) 5.651 8.667 ( 5.651 0.000 0.000) 5.651 8.987 ( -0.858 0.000 0.000) 0.858 8.987 ( 0.858 0.000 0.000) 0.858 9.508 ( -1.588 0.000 0.000) 1.588 9.508 ( 1.588 0.000 0.000) 1.588 10.125 ( -11.059 0.000 0.000) 11.059 10.125 ( 11.059 0.000 0.000) 11.059 10.583 ( -2.101 0.000 0.000) 2.101 10.583 ( 2.101 0.000 0.000) 2.101 12.724 ( -9.379 0.000 0.000) 9.379 12.724 ( 9.379 0.000 0.000) 9.379 12.739 ( -0.899 0.000 0.000) 0.899 12.739 ( 0.899 0.000 0.000) 0.899 13.119 ( -10.731 0.000 0.000) 10.731 13.119 ( 10.731 0.000 0.000) 10.731 13.953 ( -0.892 0.000 0.000) 0.892 13.953 ( 0.892 0.000 0.000) 0.892 14.365 ( -3.190 0.000 0.000) 3.190 14.365 ( 3.190 0.000 0.000) 3.190 14.868 ( -0.502 0.000 0.000) 0.502 14.868 ( 0.502 0.000 0.000) 0.502 16.355 ( -1.211 0.000 0.000) 1.211 16.355 ( 1.211 0.000 0.000) 1.211 17.050 ( -5.184 0.000 0.000) 5.184 17.050 ( 5.184 0.000 0.000) 5.184 18.131 ( -4.468 0.000 0.000) 4.468 18.131 ( 4.468 0.000 0.000) 4.468 19.011 ( -7.593 0.000 0.000) 7.593 19.011 ( 7.593 0.000 0.000) 7.593 19.507 ( -4.080 0.000 0.000) 4.080 19.507 ( 4.080 0.000 0.000) 4.080 20.418 ( -2.243 0.000 0.000) 2.243 20.418 ( 2.243 0.000 0.000) 2.243 20.942 ( -4.865 0.000 0.000) 4.865 20.942 ( 4.865 0.000 0.000) 4.865 22.192 ( -2.459 0.000 0.000) 2.459 22.192 ( 2.459 0.000 0.000) 2.459 ======================= Grid point 11 (7/144) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 0.000 28.821 0.000) 28.821 0.667 ( 0.000 34.875 0.000) 34.875 1.342 ( 0.000 68.172 0.000) 68.172 2.378 ( 0.000 4.822 0.000) 4.822 2.769 ( 0.000 17.497 0.000) 17.497 4.017 ( 0.000 -1.216 0.000) 1.216 4.538 ( 0.000 0.010 0.000) 0.010 4.654 ( 0.000 0.037 0.000) 0.037 4.939 ( 0.000 -17.495 0.000) 17.495 5.169 ( 0.000 -14.455 0.000) 14.455 5.279 ( 0.000 2.299 0.000) 2.299 5.534 ( 0.000 1.190 0.000) 1.190 5.882 ( 0.000 4.784 0.000) 4.784 6.373 ( 0.000 -1.429 0.000) 1.429 6.543 ( 0.000 10.944 0.000) 10.944 7.119 ( 0.000 -8.975 0.000) 8.975 7.221 ( 0.000 -7.947 0.000) 7.947 7.399 ( 0.000 2.603 0.000) 2.603 7.499 ( 0.000 -10.064 0.000) 10.064 7.863 ( 0.000 0.753 0.000) 0.753 8.048 ( 0.000 6.321 0.000) 6.321 8.187 ( 0.000 -5.135 0.000) 5.135 8.365 ( 0.000 -6.395 0.000) 6.395 8.557 ( 0.000 -3.276 0.000) 3.276 9.035 ( 0.000 -6.537 0.000) 6.537 9.287 ( 0.000 -3.279 0.000) 3.279 9.604 ( 0.000 10.044 0.000) 10.044 9.795 ( 0.000 2.102 0.000) 2.102 10.183 ( 0.000 2.026 0.000) 2.026 10.305 ( 0.000 6.310 0.000) 6.310 11.022 ( 0.000 -0.115 0.000) 0.115 11.257 ( 0.000 -9.657 0.000) 9.657 11.324 ( 0.000 0.107 0.000) 0.107 11.608 ( 0.000 3.615 0.000) 3.615 12.708 ( 0.000 1.404 0.000) 1.404 13.103 ( 0.000 -2.865 0.000) 2.865 13.288 ( 0.000 3.781 0.000) 3.781 13.823 ( 0.000 -1.135 0.000) 1.135 14.153 ( 0.000 -13.945 0.000) 13.945 14.255 ( 0.000 1.793 0.000) 1.793 14.587 ( 0.000 -3.719 0.000) 3.719 14.735 ( 0.000 -0.518 0.000) 0.518 15.202 ( 0.000 13.510 0.000) 13.510 15.600 ( 0.000 -4.676 0.000) 4.676 16.704 ( 0.000 0.997 0.000) 0.997 16.908 ( 0.000 -7.125 0.000) 7.125 17.770 ( 0.000 4.606 0.000) 4.606 17.789 ( 0.000 1.330 0.000) 1.330 17.937 ( 0.000 4.487 0.000) 4.487 17.940 ( 0.000 1.797 0.000) 1.797 19.005 ( 0.000 0.123 0.000) 0.123 19.049 ( 0.000 -0.837 0.000) 0.837 19.498 ( 0.000 -2.557 0.000) 2.557 19.557 ( 0.000 0.728 0.000) 0.728 19.931 ( 0.000 -1.031 0.000) 1.031 20.255 ( 0.000 1.216 0.000) 1.216 20.460 ( 0.000 3.358 0.000) 3.358 21.186 ( 0.000 2.071 0.000) 2.071 21.923 ( 0.000 -3.595 0.000) 3.595 22.323 ( 0.000 -4.424 0.000) 4.424 ======================= Grid point 12 (8/144) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 25.592 20.216 0.000) 32.613 0.955 ( 24.013 22.047 0.000) 32.599 1.585 ( 22.516 53.913 0.000) 58.426 2.486 ( 11.038 4.466 0.000) 11.907 2.904 ( 7.748 9.647 0.000) 12.373 3.954 ( -3.680 2.529 0.000) 4.465 4.339 ( -7.023 -0.294 0.000) 7.030 4.812 ( 4.574 -5.199 0.000) 6.924 4.892 ( -3.086 -13.326 0.000) 13.679 5.239 ( 6.203 -11.397 0.000) 12.976 5.302 ( -1.294 0.281 0.000) 1.324 5.620 ( 6.292 -0.654 0.000) 6.325 5.885 ( -1.564 -5.701 0.000) 5.912 6.336 ( -5.457 4.021 0.000) 6.778 6.694 ( 9.903 0.743 0.000) 9.930 7.149 ( 1.177 -5.559 0.000) 5.683 7.244 ( 1.295 -10.241 0.000) 10.323 7.403 ( -1.546 -5.224 0.000) 5.447 7.553 ( 6.224 -2.659 0.000) 6.768 7.780 ( -6.084 3.126 0.000) 6.840 7.980 ( -6.977 6.601 0.000) 9.605 8.210 ( 3.980 -11.299 0.000) 11.979 8.438 ( 5.558 -8.238 0.000) 9.938 8.574 ( 1.607 -4.342 0.000) 4.630 8.982 ( -4.329 -6.269 0.000) 7.618 9.263 ( -1.868 -0.078 0.000) 1.870 9.606 ( -1.087 8.708 0.000) 8.775 9.744 ( -1.505 10.289 0.000) 10.398 10.204 ( -1.767 3.603 0.000) 4.013 10.209 ( -4.608 4.399 0.000) 6.370 10.884 ( -9.229 -1.190 0.000) 9.306 11.288 ( -3.246 3.572 0.000) 4.826 11.347 ( 2.666 -7.154 0.000) 7.634 11.649 ( 9.125 4.332 0.000) 10.102 12.682 ( -2.188 1.394 0.000) 2.595 13.145 ( 3.422 -2.122 0.000) 4.027 13.193 ( -6.402 12.235 0.000) 13.809 13.655 ( -4.939 13.576 0.000) 14.446 14.074 ( -7.149 -7.019 0.000) 10.019 14.270 ( 1.277 -5.050 0.000) 5.209 14.427 ( -2.196 3.485 0.000) 4.119 14.888 ( 4.762 -3.937 0.000) 6.179 15.143 ( -6.422 14.401 0.000) 15.768 15.432 ( -14.603 -2.419 0.000) 14.802 16.676 ( -2.691 0.558 0.000) 2.748 16.890 ( -2.434 -0.534 0.000) 2.492 17.277 ( -22.794 17.848 0.000) 28.951 17.730 ( -5.425 5.983 0.000) 8.076 17.939 ( 2.060 0.807 0.000) 2.212 18.035 ( 7.150 0.749 0.000) 7.189 18.816 ( -7.355 -1.400 0.000) 7.487 19.099 ( -4.017 4.954 0.000) 6.378 19.378 ( 4.515 0.134 0.000) 4.517 19.551 ( -1.054 1.608 0.000) 1.923 20.147 ( 5.524 -12.450 0.000) 13.620 20.438 ( 6.655 -3.545 0.000) 7.540 20.468 ( 3.159 4.654 0.000) 5.625 21.180 ( -0.717 2.020 0.000) 2.144 22.082 ( 4.641 -16.116 0.000) 16.771 22.369 ( 2.905 -5.120 0.000) 5.887 ======================= Grid point 13 (9/144) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 21.953 19.142 0.000) 29.127 1.509 ( 28.947 11.526 0.000) 31.157 2.131 ( 27.621 30.609 0.000) 41.229 2.783 ( 16.241 1.688 0.000) 16.329 3.027 ( 5.326 11.615 0.000) 12.778 3.880 ( -4.504 -0.743 0.000) 4.565 4.220 ( -5.767 -2.733 0.000) 6.381 4.846 ( 2.386 -5.725 0.000) 6.203 4.913 ( 2.419 -3.341 0.000) 4.125 5.208 ( -5.722 -0.683 0.000) 5.763 5.379 ( 5.907 -8.396 0.000) 10.265 5.664 ( -1.472 -7.811 0.000) 7.948 5.969 ( 10.463 -1.379 0.000) 10.554 6.188 ( -7.710 5.102 0.000) 9.245 6.808 ( 1.548 -5.166 0.000) 5.393 7.145 ( -0.809 -1.129 0.000) 1.389 7.193 ( -5.761 -4.074 0.000) 7.055 7.396 ( -1.203 -4.109 0.000) 4.281 7.516 ( -6.766 1.997 0.000) 7.055 7.738 ( -5.731 9.468 0.000) 11.067 7.921 ( 8.242 -5.625 0.000) 9.978 8.304 ( 3.269 -12.813 0.000) 13.223 8.535 ( 3.315 -8.051 0.000) 8.706 8.624 ( 3.226 -9.075 0.000) 9.631 8.907 ( -2.282 -5.720 0.000) 6.159 9.217 ( -2.805 2.669 0.000) 3.872 9.567 ( -1.816 7.589 0.000) 7.803 9.744 ( -0.286 7.530 0.000) 7.535 10.004 ( -10.140 5.133 0.000) 11.366 10.278 ( 4.801 1.731 0.000) 5.103 10.704 ( -8.107 -1.743 0.000) 8.292 11.091 ( -13.531 -0.066 0.000) 13.531 11.512 ( 13.888 0.981 0.000) 13.923 11.953 ( 17.723 0.704 0.000) 17.737 12.639 ( -1.678 1.212 0.000) 2.070 13.097 ( -2.093 14.152 0.000) 14.306 13.271 ( 7.079 -4.216 0.000) 8.240 13.671 ( 4.007 8.043 0.000) 8.986 13.899 ( -9.293 0.027 0.000) 9.293 14.281 ( -1.427 -8.455 0.000) 8.574 14.419 ( -1.597 2.158 0.000) 2.685 14.886 ( -8.889 7.840 0.000) 11.853 14.967 ( -6.183 -0.489 0.000) 6.202 15.135 ( -10.900 4.625 0.000) 11.840 16.598 ( -4.879 -0.302 0.000) 4.888 16.779 ( -8.385 11.267 0.000) 14.044 17.014 ( -5.901 -3.116 0.000) 6.673 17.587 ( -8.663 3.812 0.000) 9.465 17.976 ( 1.921 2.186 0.000) 2.910 18.218 ( 9.675 0.596 0.000) 9.694 18.673 ( -6.159 0.355 0.000) 6.169 19.072 ( 1.113 1.045 0.000) 1.527 19.459 ( 1.343 -1.703 0.000) 2.169 19.537 ( 0.703 2.722 0.000) 2.811 20.233 ( 3.096 -10.415 0.000) 10.865 20.463 ( 0.465 -0.277 0.000) 0.541 20.599 ( 6.391 3.071 0.000) 7.091 21.156 ( -1.667 1.843 0.000) 2.485 22.096 ( -1.284 -13.156 0.000) 13.219 22.378 ( -1.880 -3.604 0.000) 4.065 ======================= Grid point 14 (10/144) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 18.936 15.794 0.000) 24.658 2.088 ( 27.513 5.399 0.000) 28.038 2.592 ( 15.548 18.376 0.000) 24.071 2.999 ( 4.699 6.506 0.000) 8.025 3.220 ( 13.030 5.582 0.000) 14.176 3.757 ( -7.401 -0.307 0.000) 7.407 4.106 ( -4.387 -0.712 0.000) 4.445 4.915 ( -2.078 0.646 0.000) 2.176 4.954 ( 6.046 -5.056 0.000) 7.881 5.092 ( -4.334 -0.527 0.000) 4.366 5.490 ( 5.008 -6.052 0.000) 7.855 5.673 ( 2.201 -5.128 0.000) 5.581 6.030 ( -3.365 2.127 0.000) 3.981 6.219 ( 8.726 -1.586 0.000) 8.869 6.795 ( -1.344 -7.217 0.000) 7.341 7.061 ( -4.619 -5.025 0.000) 6.826 7.152 ( -0.902 2.602 0.000) 2.754 7.313 ( -3.560 0.144 0.000) 3.563 7.362 ( -8.940 5.335 0.000) 10.411 7.658 ( -2.547 -1.884 0.000) 3.169 8.136 ( 10.788 -3.254 0.000) 11.268 8.325 ( -0.377 -9.421 0.000) 9.429 8.562 ( -0.367 -3.732 0.000) 3.750 8.688 ( 2.340 -12.206 0.000) 12.428 8.898 ( 0.954 -7.118 0.000) 7.182 9.141 ( -4.749 2.897 0.000) 5.563 9.530 ( -2.143 3.470 0.000) 4.078 9.703 ( -4.106 3.612 0.000) 5.468 9.862 ( -1.856 3.875 0.000) 4.297 10.372 ( 2.826 0.897 0.000) 2.965 10.566 ( -4.972 -2.725 0.000) 5.669 10.824 ( -11.390 2.051 0.000) 11.573 11.869 ( 20.229 0.681 0.000) 20.240 12.308 ( 16.466 -1.436 0.000) 16.528 12.628 ( 1.023 2.513 0.000) 2.714 13.061 ( -2.139 12.211 0.000) 12.397 13.379 ( 0.139 -8.907 0.000) 8.908 13.722 ( -1.655 8.877 0.000) 9.030 13.795 ( 3.385 4.197 0.000) 5.392 14.066 ( -19.810 1.110 0.000) 19.841 14.351 ( -2.651 -6.273 0.000) 6.810 14.743 ( -4.156 9.076 0.000) 9.983 14.848 ( -4.465 -1.639 0.000) 4.757 15.017 ( -3.135 5.569 0.000) 6.390 16.485 ( -5.935 -0.297 0.000) 5.943 16.593 ( -9.139 6.364 0.000) 11.137 16.956 ( -0.673 -3.016 0.000) 3.090 17.395 ( -9.706 3.001 0.000) 10.160 18.021 ( 2.571 2.661 0.000) 3.700 18.343 ( 0.085 2.939 0.000) 2.941 18.638 ( 4.956 -1.116 0.000) 5.080 19.111 ( 1.958 -0.565 0.000) 2.038 19.439 ( -1.706 -0.104 0.000) 1.709 19.572 ( 1.384 0.728 0.000) 1.564 20.280 ( 1.922 -7.507 0.000) 7.749 20.462 ( -0.743 -1.864 0.000) 2.007 20.729 ( 6.341 2.748 0.000) 6.911 21.111 ( -2.737 1.614 0.000) 3.177 22.070 ( -0.746 -10.457 0.000) 10.483 22.312 ( -4.194 -3.141 0.000) 5.240 ======================= Grid point 15 (11/144) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( 16.045 11.549 0.000) 19.769 2.609 ( 23.051 1.820 0.000) 23.123 2.681 ( -4.817 10.012 0.000) 11.110 3.156 ( 11.038 11.607 0.000) 16.018 3.318 ( -6.124 -0.500 0.000) 6.145 3.604 ( -7.961 6.784 0.000) 10.459 4.144 ( 10.288 0.577 0.000) 10.304 4.757 ( -12.492 -1.543 0.000) 12.587 5.064 ( 3.234 -1.429 0.000) 3.536 5.085 ( 2.730 -1.377 0.000) 3.057 5.577 ( 3.549 -3.327 0.000) 4.864 5.683 ( -1.642 0.998 0.000) 1.921 6.073 ( 7.148 -1.522 0.000) 7.308 6.301 ( -0.646 -1.703 0.000) 1.822 6.791 ( 0.791 -6.720 0.000) 6.766 6.981 ( -5.602 -0.897 0.000) 5.673 7.141 ( 2.240 -2.716 0.000) 3.521 7.224 ( -1.119 -0.148 0.000) 1.128 7.299 ( -0.466 0.466 0.000) 0.659 7.552 ( -8.297 0.025 0.000) 8.297 8.329 ( 4.920 -7.124 0.000) 8.658 8.335 ( 4.614 -4.199 0.000) 6.239 8.547 ( -0.448 -4.534 0.000) 4.556 8.688 ( -2.637 -9.116 0.000) 9.490 8.925 ( 1.544 -6.299 0.000) 6.485 9.039 ( -4.657 0.683 0.000) 4.707 9.494 ( -0.779 1.133 0.000) 1.375 9.598 ( -5.247 1.534 0.000) 5.467 9.932 ( 7.280 1.357 0.000) 7.405 10.307 ( -8.396 -2.075 0.000) 8.649 10.547 ( 2.102 -0.447 0.000) 2.149 10.665 ( -4.486 2.850 0.000) 5.315 12.292 ( 20.454 -1.599 0.000) 20.517 12.590 ( 10.854 -2.573 0.000) 11.155 12.694 ( 4.812 3.825 0.000) 6.147 13.005 ( -2.862 11.458 0.000) 11.810 13.218 ( -12.592 -3.725 0.000) 13.132 13.515 ( -20.342 3.874 0.000) 20.708 13.885 ( 7.041 4.590 0.000) 8.405 13.926 ( 4.965 5.354 0.000) 7.302 14.303 ( -1.338 -6.067 0.000) 6.213 14.586 ( -10.069 6.754 0.000) 12.125 14.858 ( 2.767 1.264 0.000) 3.042 14.960 ( -2.500 5.329 0.000) 5.886 16.379 ( -3.832 -0.126 0.000) 3.834 16.431 ( -6.366 1.342 0.000) 6.506 16.978 ( 2.768 -0.176 0.000) 2.773 17.210 ( -8.303 2.444 0.000) 8.655 18.083 ( 3.531 3.088 0.000) 4.691 18.269 ( -5.211 3.742 0.000) 6.415 18.814 ( 9.964 -1.635 0.000) 10.098 19.111 ( -2.787 -1.084 0.000) 2.991 19.435 ( 1.954 0.106 0.000) 1.957 19.568 ( -1.878 -0.051 0.000) 1.879 20.323 ( 2.443 -5.454 0.000) 5.976 20.431 ( -2.239 -2.890 0.000) 3.656 20.851 ( 5.617 1.891 0.000) 5.927 21.044 ( -3.827 1.459 0.000) 4.095 22.078 ( 1.599 -8.055 0.000) 8.212 22.220 ( -4.644 -4.154 0.000) 6.231 ======================= Grid point 16 (12/144) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -10.162 9.154 0.000) 13.677 2.478 ( 10.162 9.154 0.000) 13.677 3.040 ( -17.473 -1.215 0.000) 17.515 3.040 ( 17.473 -1.215 0.000) 17.515 3.402 ( -9.506 11.668 0.000) 15.050 3.402 ( 9.506 11.668 0.000) 15.050 4.449 ( -16.426 -0.765 0.000) 16.444 4.449 ( 16.426 -0.765 0.000) 16.444 5.108 ( -0.115 -1.191 0.000) 1.196 5.108 ( 0.115 -1.191 0.000) 1.196 5.637 ( -2.537 -0.168 0.000) 2.542 5.637 ( 2.537 -0.168 0.000) 2.542 6.227 ( -4.285 -1.365 0.000) 4.497 6.227 ( 4.285 -1.365 0.000) 4.497 6.846 ( -3.115 -3.772 0.000) 4.892 6.846 ( 3.115 -3.772 0.000) 4.892 7.220 ( -2.689 -4.208 0.000) 4.994 7.220 ( 2.689 -4.208 0.000) 4.994 7.360 ( -7.525 1.881 0.000) 7.756 7.360 ( 7.525 1.881 0.000) 7.756 8.387 ( -1.031 -5.385 0.000) 5.482 8.387 ( 1.031 -5.385 0.000) 5.482 8.596 ( -1.209 -7.014 0.000) 7.117 8.596 ( 1.209 -7.014 0.000) 7.117 8.966 ( -1.052 -2.674 0.000) 2.873 8.966 ( 1.052 -2.674 0.000) 2.873 9.513 ( -2.505 0.841 0.000) 2.642 9.513 ( 2.505 0.841 0.000) 2.642 10.112 ( -5.225 -1.189 0.000) 5.358 10.112 ( 5.225 -1.189 0.000) 5.358 10.599 ( -1.045 1.276 0.000) 1.649 10.599 ( 1.045 1.276 0.000) 1.649 12.631 ( -8.166 -3.297 0.000) 8.806 12.631 ( 8.166 -3.297 0.000) 8.806 12.846 ( -12.341 4.166 0.000) 13.026 12.846 ( 12.341 4.166 0.000) 13.026 13.172 ( -11.103 5.744 0.000) 12.500 13.172 ( 11.103 5.744 0.000) 12.500 13.983 ( -0.500 3.028 0.000) 3.069 13.983 ( 0.500 3.028 0.000) 3.069 14.376 ( -5.879 1.254 0.000) 6.012 14.376 ( 5.879 1.254 0.000) 6.012 14.912 ( -2.086 4.153 0.000) 4.648 14.912 ( 2.086 4.153 0.000) 4.648 16.350 ( -0.289 -0.266 0.000) 0.393 16.350 ( 0.289 -0.266 0.000) 0.393 17.065 ( -5.571 1.518 0.000) 5.774 17.065 ( 5.571 1.518 0.000) 5.774 18.166 ( -3.303 3.538 0.000) 4.840 18.166 ( 3.303 3.538 0.000) 4.840 18.999 ( -7.379 -1.372 0.000) 7.505 18.999 ( 7.379 -1.372 0.000) 7.505 19.504 ( -3.902 -0.137 0.000) 3.904 19.504 ( 3.902 -0.137 0.000) 3.904 20.378 ( -2.842 -4.016 0.000) 4.920 20.378 ( 2.842 -4.016 0.000) 4.920 20.957 ( -4.193 1.496 0.000) 4.452 20.957 ( 4.193 1.496 0.000) 4.452 22.133 ( -3.434 -5.900 0.000) 6.826 22.133 ( 3.434 -5.900 0.000) 6.826 ======================= Grid point 22 (13/144) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 0.000 26.185 0.000) 26.185 1.308 ( 0.000 31.983 0.000) 31.983 2.474 ( 0.000 7.828 0.000) 7.828 2.587 ( 0.000 56.842 0.000) 56.842 3.186 ( 0.000 23.480 0.000) 23.480 4.002 ( 0.000 0.400 0.000) 0.400 4.499 ( 0.000 -17.976 0.000) 17.976 4.557 ( 0.000 2.404 0.000) 2.404 4.720 ( 0.000 -4.188 0.000) 4.188 4.873 ( 0.000 -12.421 0.000) 12.421 5.340 ( 0.000 3.974 0.000) 3.974 5.520 ( 0.000 -2.870 0.000) 2.870 5.963 ( 0.000 3.533 0.000) 3.533 6.332 ( 0.000 -2.476 0.000) 2.476 6.751 ( 0.000 9.242 0.000) 9.242 6.956 ( 0.000 -7.537 0.000) 7.537 6.980 ( 0.000 -16.705 0.000) 16.705 7.308 ( 0.000 -8.880 0.000) 8.880 7.429 ( 0.000 0.940 0.000) 0.940 7.818 ( 0.000 -4.808 0.000) 4.808 7.995 ( 0.000 -13.688 0.000) 13.688 8.179 ( 0.000 -12.643 0.000) 12.643 8.227 ( 0.000 10.284 0.000) 10.284 8.504 ( 0.000 -2.508 0.000) 2.508 8.958 ( 0.000 -0.624 0.000) 0.624 9.264 ( 0.000 1.299 0.000) 1.299 9.790 ( 0.000 7.863 0.000) 7.863 9.827 ( 0.000 0.835 0.000) 0.835 10.233 ( 0.000 3.729 0.000) 3.729 10.430 ( 0.000 5.712 0.000) 5.712 11.006 ( 0.000 -1.685 0.000) 1.685 11.046 ( 0.000 -11.795 0.000) 11.795 11.336 ( 0.000 1.231 0.000) 1.231 11.654 ( 0.000 0.927 0.000) 0.927 12.725 ( 0.000 0.031 0.000) 0.031 13.021 ( 0.000 -5.683 0.000) 5.683 13.395 ( 0.000 7.099 0.000) 7.099 13.790 ( 0.000 -2.381 0.000) 2.381 13.866 ( 0.000 -13.551 0.000) 13.551 14.304 ( 0.000 2.931 0.000) 2.931 14.560 ( 0.000 0.219 0.000) 0.219 14.722 ( 0.000 -0.748 0.000) 0.748 15.411 ( 0.000 7.238 0.000) 7.238 15.485 ( 0.000 -6.824 0.000) 6.824 16.727 ( 0.000 1.380 0.000) 1.380 16.791 ( 0.000 -3.945 0.000) 3.945 17.830 ( 0.000 2.204 0.000) 2.204 17.831 ( 0.000 3.194 0.000) 3.194 17.982 ( 0.000 2.284 0.000) 2.284 18.066 ( 0.000 7.647 0.000) 7.647 18.980 ( 0.000 -3.253 0.000) 3.253 19.025 ( 0.000 -1.747 0.000) 1.747 19.448 ( 0.000 -1.990 0.000) 1.990 19.566 ( 0.000 -0.185 0.000) 0.185 19.919 ( 0.000 0.349 0.000) 0.349 20.334 ( 0.000 7.080 0.000) 7.080 20.509 ( 0.000 1.426 0.000) 1.426 21.245 ( 0.000 4.095 0.000) 4.095 21.820 ( 0.000 -7.058 0.000) 7.058 22.204 ( 0.000 -7.759 0.000) 7.759 ======================= Grid point 23 (14/144) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 19.138 21.116 0.000) 28.498 1.447 ( 13.030 27.083 0.000) 30.054 2.579 ( 9.744 5.445 0.000) 11.162 2.674 ( 8.493 53.966 0.000) 54.630 3.224 ( 3.458 20.428 0.000) 20.718 3.967 ( -3.800 -0.149 0.000) 3.802 4.320 ( -9.899 -1.735 0.000) 10.050 4.586 ( 2.329 -15.188 0.000) 15.366 4.759 ( 3.756 -1.589 0.000) 4.078 4.999 ( 7.674 -11.120 0.000) 13.510 5.318 ( -3.265 0.793 0.000) 3.360 5.599 ( 6.463 -1.701 0.000) 6.683 5.886 ( -4.852 2.972 0.000) 5.690 6.351 ( -1.459 -1.793 0.000) 2.311 6.770 ( 1.020 4.969 0.000) 5.073 6.992 ( 0.758 -15.707 0.000) 15.725 7.021 ( 6.262 -6.618 0.000) 9.111 7.291 ( -0.681 -6.222 0.000) 6.259 7.498 ( 6.208 -2.982 0.000) 6.888 7.747 ( -5.489 -5.457 0.000) 7.740 7.984 ( -3.846 -8.814 0.000) 9.617 8.133 ( -1.725 1.113 0.000) 2.053 8.256 ( 2.324 -8.305 0.000) 8.624 8.513 ( 0.732 -1.990 0.000) 2.120 8.909 ( -3.856 -0.245 0.000) 3.864 9.285 ( 1.178 2.447 0.000) 2.716 9.750 ( -3.206 5.592 0.000) 6.445 9.833 ( -0.370 0.951 0.000) 1.021 10.258 ( 2.214 3.972 0.000) 4.547 10.333 ( -8.396 5.996 0.000) 10.318 10.844 ( -9.074 -2.867 0.000) 9.516 11.160 ( 2.091 -9.588 0.000) 9.813 11.359 ( 2.799 2.357 0.000) 3.659 11.708 ( 7.578 1.576 0.000) 7.740 12.705 ( -1.690 0.669 0.000) 1.818 13.058 ( 3.377 -6.285 0.000) 7.134 13.361 ( -2.365 7.548 0.000) 7.910 13.805 ( 0.905 -0.341 0.000) 0.967 13.871 ( 0.567 -7.412 0.000) 7.433 14.252 ( -3.813 1.170 0.000) 3.988 14.502 ( -2.033 4.495 0.000) 4.934 14.827 ( 6.309 -2.539 0.000) 6.801 15.316 ( -13.003 -1.771 0.000) 13.123 15.402 ( -4.425 4.339 0.000) 6.197 16.690 ( -3.404 0.918 0.000) 3.525 16.810 ( 1.548 -4.229 0.000) 4.503 17.574 ( -19.251 11.064 0.000) 22.204 17.872 ( -9.843 8.026 0.000) 12.700 17.960 ( 4.369 1.631 0.000) 4.664 18.062 ( 5.085 1.968 0.000) 5.453 18.804 ( -6.750 -0.548 0.000) 6.772 19.148 ( -1.652 0.015 0.000) 1.652 19.374 ( 1.157 -0.495 0.000) 1.259 19.569 ( 0.113 -0.532 0.000) 0.544 19.959 ( 2.699 -5.392 0.000) 6.030 20.429 ( 3.769 1.708 0.000) 4.138 20.545 ( 5.063 3.814 0.000) 6.338 21.236 ( -0.934 3.889 0.000) 3.999 21.841 ( 1.003 -10.340 0.000) 10.389 22.237 ( 2.314 -8.511 0.000) 8.820 ======================= Grid point 24 (15/144) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 19.834 15.605 0.000) 25.237 1.798 ( 20.302 17.479 0.000) 26.790 2.829 ( 13.411 3.138 0.000) 13.773 2.903 ( 12.699 42.355 0.000) 44.218 3.308 ( 4.536 16.169 0.000) 16.793 3.860 ( -5.677 -0.644 0.000) 5.713 4.177 ( -4.825 -0.711 0.000) 4.877 4.674 ( 6.482 -10.667 0.000) 12.482 4.865 ( 5.793 -1.168 0.000) 5.909 5.118 ( 2.214 -9.926 0.000) 10.170 5.235 ( -2.053 -3.076 0.000) 3.698 5.639 ( -2.181 2.831 0.000) 3.574 5.928 ( 9.173 -2.566 0.000) 9.525 6.248 ( -7.453 0.982 0.000) 7.517 6.755 ( -2.335 -1.090 0.000) 2.577 6.970 ( -2.239 -10.779 0.000) 11.009 7.163 ( 5.028 -4.766 0.000) 6.927 7.286 ( -0.570 -6.788 0.000) 6.812 7.555 ( -4.130 1.726 0.000) 4.476 7.756 ( 10.140 -11.562 0.000) 15.379 7.810 ( -11.369 0.551 0.000) 11.383 8.152 ( 2.090 -4.365 0.000) 4.840 8.309 ( 2.797 -15.202 0.000) 15.457 8.534 ( 1.444 0.074 0.000) 1.446 8.832 ( -3.433 -1.552 0.000) 3.768 9.279 ( -2.173 3.138 0.000) 3.817 9.676 ( -3.915 3.859 0.000) 5.497 9.798 ( -2.935 -1.375 0.000) 3.242 10.114 ( -11.306 5.578 0.000) 12.607 10.334 ( 4.157 4.190 0.000) 5.902 10.660 ( -8.719 -2.618 0.000) 9.104 11.055 ( -9.934 -3.787 0.000) 10.632 11.536 ( 14.251 1.675 0.000) 14.349 11.961 ( 15.475 -0.268 0.000) 15.478 12.677 ( -0.560 2.324 0.000) 2.391 13.144 ( 4.560 -7.868 0.000) 9.094 13.323 ( -1.486 8.864 0.000) 8.987 13.820 ( 1.114 -0.282 0.000) 1.149 13.890 ( 1.365 5.141 0.000) 5.319 14.177 ( -3.946 -1.484 0.000) 4.216 14.499 ( -0.078 5.804 0.000) 5.805 14.914 ( 1.400 -1.130 0.000) 1.799 14.956 ( -18.644 -2.668 0.000) 18.834 15.288 ( -6.765 8.580 0.000) 10.927 16.599 ( -5.406 0.309 0.000) 5.415 16.847 ( 2.014 -4.128 0.000) 4.593 17.138 ( -21.006 15.023 0.000) 25.825 17.675 ( -9.817 5.103 0.000) 11.064 18.029 ( 2.798 3.115 0.000) 4.187 18.227 ( 9.948 0.308 0.000) 9.953 18.687 ( -5.369 0.971 0.000) 5.457 19.086 ( -1.444 0.086 0.000) 1.446 19.427 ( 1.365 -1.597 0.000) 2.101 19.587 ( 1.393 1.721 0.000) 2.214 20.022 ( 3.545 -9.862 0.000) 10.480 20.444 ( -0.766 -1.361 0.000) 1.562 20.679 ( 6.576 5.137 0.000) 8.345 21.206 ( -1.998 3.460 0.000) 3.995 21.845 ( -0.320 -12.238 0.000) 12.242 22.256 ( -0.965 -8.750 0.000) 8.803 ======================= Grid point 25 (16/144) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 16.166 12.494 0.000) 20.431 2.225 ( 21.321 8.648 0.000) 23.008 2.992 ( 0.163 10.539 0.000) 10.541 3.164 ( 11.823 14.699 0.000) 18.864 3.417 ( 6.094 17.017 0.000) 18.075 3.782 ( -0.916 3.964 0.000) 4.069 4.111 ( -1.471 2.179 0.000) 2.629 4.810 ( 3.848 -8.656 0.000) 9.473 4.934 ( 0.911 0.822 0.000) 1.227 5.067 ( -2.121 -2.396 0.000) 3.200 5.320 ( 7.370 -9.510 0.000) 12.031 5.654 ( 4.550 3.048 0.000) 5.476 6.065 ( -3.693 -0.016 0.000) 3.693 6.156 ( 5.581 -3.893 0.000) 6.804 6.696 ( -2.903 -3.688 0.000) 4.693 6.942 ( 0.302 -6.077 0.000) 6.084 7.157 ( -5.084 -3.505 0.000) 6.175 7.251 ( -2.898 -5.979 0.000) 6.644 7.476 ( -5.710 6.224 0.000) 8.447 7.608 ( -5.002 -1.090 0.000) 5.119 7.977 ( 9.502 -13.164 0.000) 16.236 8.184 ( 1.302 -5.875 0.000) 6.017 8.375 ( 3.555 -17.936 0.000) 18.284 8.560 ( -0.064 3.794 0.000) 3.795 8.773 ( -1.843 -6.940 0.000) 7.181 9.190 ( -6.657 1.619 0.000) 6.851 9.590 ( -4.399 1.475 0.000) 4.640 9.727 ( -4.288 -0.433 0.000) 4.310 9.931 ( -4.723 3.364 0.000) 5.799 10.401 ( 0.137 2.224 0.000) 2.228 10.508 ( -4.487 -3.087 0.000) 5.446 10.851 ( -8.972 0.232 0.000) 8.975 11.884 ( 18.933 0.918 0.000) 18.956 12.281 ( 15.330 -1.401 0.000) 15.394 12.700 ( 3.015 4.469 0.000) 5.392 13.202 ( -0.395 -9.234 0.000) 9.242 13.289 ( -1.794 10.419 0.000) 10.572 13.881 ( 5.417 5.744 0.000) 7.895 13.915 ( -1.394 7.795 0.000) 7.919 14.044 ( -9.496 -1.438 0.000) 9.605 14.344 ( -12.071 5.320 0.000) 13.191 14.783 ( 2.165 -2.881 0.000) 3.604 14.877 ( -5.547 2.509 0.000) 6.088 15.159 ( -5.237 8.207 0.000) 9.735 16.481 ( -5.921 -0.049 0.000) 5.921 16.758 ( -16.068 8.665 0.000) 18.255 16.897 ( 2.899 -0.964 0.000) 3.055 17.469 ( -10.300 4.333 0.000) 11.175 18.087 ( 3.153 3.976 0.000) 5.074 18.401 ( 4.031 2.477 0.000) 4.731 18.618 ( 1.456 -0.641 0.000) 1.591 19.090 ( 0.826 -1.850 0.000) 2.026 19.429 ( -0.471 -0.826 0.000) 0.951 19.605 ( 0.088 2.707 0.000) 2.709 20.098 ( 3.915 -10.492 0.000) 11.198 20.415 ( -2.118 -3.075 0.000) 3.734 20.800 ( 5.441 4.642 0.000) 7.152 21.155 ( -3.021 3.010 0.000) 4.265 21.846 ( 0.855 -12.002 0.000) 12.032 22.199 ( -4.295 -8.373 0.000) 9.411 ======================= Grid point 26 (17/144) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 13.272 10.043 0.000) 16.644 2.645 ( 19.618 2.040 0.000) 19.724 2.879 ( -9.416 8.158 0.000) 12.458 3.242 ( -5.859 -2.932 0.000) 6.551 3.558 ( 8.757 24.819 0.000) 26.319 3.812 ( 0.283 13.870 0.000) 13.872 4.161 ( 8.353 1.430 0.000) 8.475 4.698 ( -11.503 -4.757 0.000) 12.448 5.019 ( 4.951 -1.991 0.000) 5.336 5.069 ( 1.042 -0.963 0.000) 1.419 5.478 ( 7.761 -6.493 0.000) 10.119 5.726 ( -1.225 3.587 0.000) 3.790 6.048 ( 5.839 -1.337 0.000) 5.991 6.241 ( 0.770 -4.062 0.000) 4.134 6.664 ( 0.439 -6.153 0.000) 6.168 6.938 ( -6.085 -3.756 0.000) 7.151 7.065 ( 0.492 -5.147 0.000) 5.171 7.208 ( 0.270 -0.930 0.000) 0.969 7.319 ( -5.679 2.342 0.000) 6.143 7.564 ( -3.817 1.705 0.000) 4.180 8.120 ( 5.508 -13.038 0.000) 14.154 8.241 ( 4.074 -6.758 0.000) 7.891 8.425 ( 0.429 -16.900 0.000) 16.905 8.492 ( -5.317 -1.268 0.000) 5.466 8.791 ( 3.226 -7.573 0.000) 8.232 9.027 ( -8.407 -1.978 0.000) 8.637 9.526 ( -1.352 0.815 0.000) 1.578 9.622 ( -5.184 1.617 0.000) 5.430 9.946 ( 5.001 0.320 0.000) 5.011 10.274 ( -9.051 -1.094 0.000) 9.117 10.534 ( 3.642 -0.872 0.000) 3.745 10.707 ( -5.416 1.145 0.000) 5.535 12.269 ( 18.542 -0.500 0.000) 18.548 12.571 ( 12.878 0.119 0.000) 12.878 12.773 ( 2.529 4.082 0.000) 4.802 13.100 ( -8.806 -4.249 0.000) 9.778 13.258 ( -1.038 10.243 0.000) 10.295 13.606 ( -19.299 5.021 0.000) 19.942 13.989 ( 3.867 6.950 0.000) 7.954 14.081 ( 6.108 9.117 0.000) 10.974 14.213 ( 0.368 -2.749 0.000) 2.773 14.682 ( -11.694 3.115 0.000) 12.102 14.895 ( 5.751 1.708 0.000) 6.000 15.076 ( -3.403 6.309 0.000) 7.168 16.377 ( -3.683 0.119 0.000) 3.685 16.489 ( -10.083 4.891 0.000) 11.207 16.976 ( 4.974 0.190 0.000) 4.978 17.269 ( -9.228 3.331 0.000) 9.811 18.161 ( 4.173 4.846 0.000) 6.396 18.360 ( -4.909 5.432 0.000) 7.322 18.767 ( 9.882 -3.236 0.000) 10.398 19.073 ( -3.258 -2.994 0.000) 4.424 19.440 ( 2.168 0.504 0.000) 2.226 19.581 ( -2.528 1.757 0.000) 3.078 20.182 ( 4.359 -8.767 0.000) 9.790 20.357 ( -3.604 -4.791 0.000) 5.995 20.904 ( 4.868 3.643 0.000) 6.080 21.085 ( -3.907 2.762 0.000) 4.785 21.889 ( 3.396 -10.944 0.000) 11.458 22.095 ( -5.712 -8.672 0.000) 10.384 ======================= Grid point 27 (18/144) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -10.552 8.068 0.000) 13.284 2.653 ( 10.552 8.068 0.000) 13.284 3.008 ( -15.042 -1.963 0.000) 15.170 3.008 ( 15.042 -1.963 0.000) 15.170 3.730 ( -3.026 21.107 0.000) 21.323 3.730 ( 3.026 21.107 0.000) 21.323 4.421 ( -14.022 -2.224 0.000) 14.197 4.421 ( 14.022 -2.224 0.000) 14.197 5.078 ( -0.057 -1.775 0.000) 1.776 5.078 ( 0.057 -1.775 0.000) 1.776 5.627 ( -5.068 -1.043 0.000) 5.174 5.627 ( 5.068 -1.043 0.000) 5.174 6.195 ( -2.415 -1.459 0.000) 2.822 6.195 ( 2.415 -1.459 0.000) 2.822 6.750 ( -5.234 -6.203 0.000) 8.116 6.750 ( 5.234 -6.203 0.000) 8.116 7.137 ( -3.513 -3.482 0.000) 4.946 7.137 ( 3.513 -3.482 0.000) 4.946 7.411 ( -7.442 3.444 0.000) 8.200 7.411 ( 7.442 3.444 0.000) 8.200 8.240 ( -5.292 -10.331 0.000) 11.607 8.240 ( 5.292 -10.331 0.000) 11.607 8.423 ( -0.146 -10.129 0.000) 10.130 8.423 ( 0.146 -10.129 0.000) 10.130 8.881 ( -3.636 -5.670 0.000) 6.736 8.881 ( 3.636 -5.670 0.000) 6.736 9.540 ( -2.490 1.544 0.000) 2.930 9.540 ( 2.490 1.544 0.000) 2.930 10.091 ( -2.437 -0.828 0.000) 2.574 10.091 ( 2.437 -0.828 0.000) 2.574 10.614 ( -1.174 0.014 0.000) 1.174 10.614 ( 1.174 0.014 0.000) 1.174 12.607 ( -12.395 0.570 0.000) 12.409 12.607 ( 12.395 0.570 0.000) 12.409 12.882 ( -10.822 0.145 0.000) 10.823 12.882 ( 10.822 0.145 0.000) 10.823 13.320 ( -6.874 8.542 0.000) 10.964 13.320 ( 6.874 8.542 0.000) 10.964 14.063 ( -1.379 5.205 0.000) 5.385 14.063 ( 1.379 5.205 0.000) 5.385 14.415 ( -11.240 2.654 0.000) 11.549 14.415 ( 11.240 2.654 0.000) 11.549 15.001 ( -4.397 4.263 0.000) 6.125 15.001 ( 4.397 4.263 0.000) 6.125 16.360 ( -0.683 1.698 0.000) 1.831 16.360 ( 0.683 1.698 0.000) 1.831 17.100 ( -7.173 1.882 0.000) 7.415 17.100 ( 7.173 1.882 0.000) 7.415 18.256 ( -2.551 5.527 0.000) 6.088 18.256 ( 2.551 5.527 0.000) 6.088 18.955 ( -7.804 -3.346 0.000) 8.491 18.955 ( 7.804 -3.346 0.000) 8.491 19.510 ( -3.106 1.053 0.000) 3.280 19.510 ( 3.106 1.053 0.000) 3.280 20.273 ( -4.418 -6.671 0.000) 8.001 20.273 ( 4.418 -6.671 0.000) 8.001 20.999 ( -3.306 2.940 0.000) 4.424 20.999 ( 3.306 2.940 0.000) 4.424 21.980 ( -4.995 -9.663 0.000) 10.878 21.980 ( 4.995 -9.663 0.000) 10.878 ======================= Grid point 33 (19/144) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 22.172 0.000) 22.172 1.881 ( 0.000 27.405 0.000) 27.405 2.534 ( 0.000 0.531 0.000) 0.531 3.523 ( 0.000 6.182 0.000) 6.182 3.554 ( 0.000 39.154 0.000) 39.154 4.061 ( 0.000 6.378 0.000) 6.378 4.199 ( 0.000 -9.336 0.000) 9.336 4.534 ( 0.000 -9.695 0.000) 9.695 4.645 ( 0.000 6.897 0.000) 6.897 4.842 ( 0.000 4.284 0.000) 4.284 5.431 ( 0.000 5.718 0.000) 5.718 5.438 ( 0.000 -4.718 0.000) 4.718 6.014 ( 0.000 1.445 0.000) 1.445 6.312 ( 0.000 1.912 0.000) 1.912 6.620 ( 0.000 -19.932 0.000) 19.932 6.804 ( 0.000 -4.409 0.000) 4.409 6.919 ( 0.000 5.147 0.000) 5.147 7.155 ( 0.000 -7.503 0.000) 7.503 7.431 ( 0.000 -1.420 0.000) 1.420 7.707 ( 0.000 -6.147 0.000) 6.147 7.730 ( 0.000 -12.440 0.000) 12.440 7.900 ( 0.000 -15.720 0.000) 15.720 8.388 ( 0.000 5.923 0.000) 5.923 8.460 ( 0.000 -1.907 0.000) 1.907 9.014 ( 0.000 5.763 0.000) 5.763 9.316 ( 0.000 3.146 0.000) 3.146 9.822 ( 0.000 -1.281 0.000) 1.281 9.860 ( 0.000 -0.352 0.000) 0.352 10.353 ( 0.000 8.391 0.000) 8.391 10.498 ( 0.000 1.202 0.000) 1.202 10.828 ( 0.000 -10.059 0.000) 10.059 10.965 ( 0.000 -2.371 0.000) 2.371 11.368 ( 0.000 2.077 0.000) 2.077 11.641 ( 0.000 -2.203 0.000) 2.203 12.705 ( 0.000 -1.880 0.000) 1.880 12.886 ( 0.000 -8.067 0.000) 8.067 13.516 ( 0.000 3.058 0.000) 3.058 13.727 ( 0.000 1.709 0.000) 1.709 13.733 ( 0.000 -3.484 0.000) 3.484 14.337 ( 0.000 -0.544 0.000) 0.544 14.582 ( 0.000 1.979 0.000) 1.979 14.717 ( 0.000 0.501 0.000) 0.501 15.361 ( 0.000 -5.586 0.000) 5.586 15.470 ( 0.000 -0.623 0.000) 0.623 16.755 ( 0.000 1.489 0.000) 1.489 16.765 ( 0.000 0.683 0.000) 0.683 17.877 ( 0.000 2.855 0.000) 2.855 17.914 ( 0.000 5.426 0.000) 5.426 18.018 ( 0.000 1.325 0.000) 1.325 18.192 ( 0.000 5.017 0.000) 5.017 18.885 ( 0.000 -5.901 0.000) 5.901 18.977 ( 0.000 -3.405 0.000) 3.405 19.430 ( 0.000 -0.029 0.000) 0.029 19.545 ( 0.000 -1.844 0.000) 1.844 19.960 ( 0.000 4.020 0.000) 4.020 20.447 ( 0.000 -0.486 0.000) 0.486 20.577 ( 0.000 10.347 0.000) 10.347 21.341 ( 0.000 5.725 0.000) 5.725 21.656 ( 0.000 -9.915 0.000) 9.915 22.036 ( 0.000 -9.506 0.000) 9.506 ======================= Grid point 34 (20/144) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 13.902 19.497 0.000) 23.946 1.947 ( 6.415 24.408 0.000) 25.237 2.627 ( 8.716 0.393 0.000) 8.725 3.490 ( -2.931 9.035 0.000) 9.499 3.583 ( 2.598 28.726 0.000) 28.843 3.992 ( -4.227 4.630 0.000) 6.270 4.289 ( 4.583 0.272 0.000) 4.591 4.416 ( -4.336 -0.798 0.000) 4.409 4.723 ( 5.259 -1.058 0.000) 5.364 4.891 ( 3.292 -0.216 0.000) 3.299 5.315 ( -6.198 -1.055 0.000) 6.287 5.579 ( 8.157 0.649 0.000) 8.183 5.951 ( -5.001 3.329 0.000) 6.008 6.321 ( -0.832 0.287 0.000) 0.880 6.651 ( 2.237 -18.723 0.000) 18.856 6.796 ( -0.635 -3.013 0.000) 3.080 6.976 ( 5.512 2.013 0.000) 5.868 7.175 ( 0.970 -5.749 0.000) 5.831 7.422 ( 0.336 -5.411 0.000) 5.421 7.635 ( -3.432 -5.120 0.000) 6.163 7.793 ( 2.650 -9.317 0.000) 9.686 7.918 ( 1.580 -16.155 0.000) 16.232 8.294 ( -7.439 4.323 0.000) 8.604 8.493 ( 2.020 -0.377 0.000) 2.055 8.972 ( -3.712 6.081 0.000) 7.124 9.334 ( 0.771 1.830 0.000) 1.986 9.792 ( -2.595 -2.170 0.000) 3.383 9.815 ( -4.368 -1.180 0.000) 4.525 10.360 ( -0.946 5.515 0.000) 5.596 10.429 ( -4.153 5.111 0.000) 6.585 10.780 ( -6.247 -3.830 0.000) 7.328 10.986 ( 1.564 -8.070 0.000) 8.220 11.405 ( 3.988 2.636 0.000) 4.781 11.704 ( 7.194 -2.011 0.000) 7.470 12.703 ( -0.040 -0.770 0.000) 0.771 12.913 ( 2.543 -8.296 0.000) 8.677 13.500 ( -1.472 6.257 0.000) 6.428 13.663 ( 0.398 -5.760 0.000) 5.774 13.897 ( 8.874 3.315 0.000) 9.473 14.263 ( -5.039 -0.649 0.000) 5.081 14.604 ( 0.596 5.829 0.000) 5.859 14.783 ( 5.829 -2.118 0.000) 6.202 15.234 ( -11.986 -3.958 0.000) 12.623 15.457 ( -1.839 -0.442 0.000) 1.892 16.712 ( -3.775 1.416 0.000) 4.032 16.765 ( -0.161 -0.691 0.000) 0.709 17.736 ( -10.749 6.906 0.000) 12.776 17.981 ( -6.029 2.739 0.000) 6.622 18.021 ( 3.082 4.382 0.000) 5.357 18.111 ( -0.168 3.288 0.000) 3.292 18.784 ( -4.465 -1.406 0.000) 4.681 19.095 ( 2.951 -5.466 0.000) 6.212 19.372 ( -1.471 0.511 0.000) 1.557 19.525 ( -1.148 -3.275 0.000) 3.470 19.950 ( -0.827 3.452 0.000) 3.550 20.437 ( -1.158 -2.202 0.000) 2.488 20.666 ( 7.065 9.714 0.000) 12.011 21.328 ( -1.303 5.543 0.000) 5.694 21.650 ( -0.638 -9.967 0.000) 9.988 22.052 ( 1.137 -10.488 0.000) 10.549 ======================= Grid point 35 (21/144) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 15.353 15.036 0.000) 21.489 2.136 ( 11.982 16.970 0.000) 20.774 2.850 ( 12.005 -0.236 0.000) 12.008 3.405 ( -5.364 1.864 0.000) 5.678 3.668 ( 5.942 20.335 0.000) 21.185 3.928 ( -1.886 8.488 0.000) 8.695 4.260 ( -2.305 12.371 0.000) 12.584 4.520 ( 9.012 -4.146 0.000) 9.920 4.849 ( 6.725 -1.223 0.000) 6.835 4.953 ( 2.635 -5.581 0.000) 6.172 5.193 ( -4.751 -1.318 0.000) 4.931 5.723 ( 3.979 4.723 0.000) 6.176 5.888 ( 1.657 -0.448 0.000) 1.717 6.247 ( -5.993 0.237 0.000) 5.998 6.663 ( -1.722 -12.291 0.000) 12.411 6.804 ( 1.786 -3.423 0.000) 3.861 7.075 ( 2.159 -4.365 0.000) 4.870 7.160 ( -1.984 -4.841 0.000) 5.232 7.516 ( 8.996 -11.189 0.000) 14.357 7.584 ( -1.550 0.407 0.000) 1.603 7.805 ( -2.638 -2.109 0.000) 3.377 7.953 ( 1.641 -16.834 0.000) 16.913 8.139 ( -6.131 -0.264 0.000) 6.136 8.540 ( 2.726 -1.337 0.000) 3.036 8.872 ( -6.254 5.685 0.000) 8.452 9.312 ( -3.360 -0.117 0.000) 3.362 9.695 ( -6.782 -2.553 0.000) 7.247 9.736 ( -2.516 -3.513 0.000) 4.320 10.221 ( -10.324 5.907 0.000) 11.894 10.431 ( 1.843 5.715 0.000) 6.005 10.612 ( -8.927 -2.411 0.000) 9.246 10.952 ( -5.151 -6.644 0.000) 8.407 11.580 ( 13.485 2.873 0.000) 13.788 11.931 ( 14.181 -3.003 0.000) 14.495 12.718 ( 1.872 1.866 0.000) 2.643 12.980 ( 3.722 -8.453 0.000) 9.236 13.472 ( -1.045 6.820 0.000) 6.900 13.729 ( 5.529 -4.725 0.000) 7.273 14.048 ( 4.961 7.830 0.000) 9.269 14.179 ( -3.034 0.431 0.000) 3.064 14.623 ( 1.959 5.969 0.000) 6.282 14.888 ( 1.567 -2.447 0.000) 2.906 14.902 ( -17.777 -0.282 0.000) 17.780 15.387 ( -4.949 1.179 0.000) 5.087 16.611 ( -5.839 1.092 0.000) 5.940 16.766 ( 0.366 -3.517 0.000) 3.536 17.418 ( -19.145 13.162 0.000) 23.233 17.767 ( -10.861 3.985 0.000) 11.569 18.093 ( 3.329 3.630 0.000) 4.925 18.231 ( 8.871 0.057 0.000) 8.871 18.705 ( -3.903 0.998 0.000) 4.029 19.063 ( -2.647 -2.820 0.000) 3.867 19.401 ( 1.215 -1.000 0.000) 1.573 19.557 ( 4.780 -4.977 0.000) 6.901 19.929 ( -1.009 0.942 0.000) 1.381 20.401 ( -2.378 -3.575 0.000) 4.293 20.806 ( 6.140 8.305 0.000) 10.328 21.289 ( -2.512 5.071 0.000) 5.659 21.633 ( -0.810 -10.010 0.000) 10.043 22.058 ( -0.978 -11.474 0.000) 11.516 ======================= Grid point 36 (22/144) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 13.390 10.358 0.000) 16.929 2.402 ( 13.531 9.332 0.000) 16.437 3.041 ( 4.317 -0.306 0.000) 4.327 3.284 ( -5.801 -1.772 0.000) 6.066 3.815 ( 8.146 11.401 0.000) 14.012 3.933 ( 3.040 12.759 0.000) 13.116 4.247 ( 0.240 13.863 0.000) 13.865 4.664 ( 2.967 -5.732 0.000) 6.454 4.943 ( 1.523 -0.127 0.000) 1.528 4.997 ( 3.201 -4.030 0.000) 5.147 5.198 ( 5.859 -1.860 0.000) 6.147 5.783 ( 4.913 10.300 0.000) 11.412 5.984 ( 2.387 -7.229 0.000) 7.613 6.127 ( -2.744 0.713 0.000) 2.835 6.605 ( -3.317 -7.368 0.000) 8.080 6.851 ( 2.764 -2.628 0.000) 3.814 7.043 ( -4.827 -7.566 0.000) 8.974 7.138 ( 0.546 -4.640 0.000) 4.672 7.571 ( -1.282 3.071 0.000) 3.328 7.657 ( -7.315 4.402 0.000) 8.538 7.725 ( 7.760 -10.504 0.000) 13.059 7.992 ( 2.731 -17.274 0.000) 17.489 8.084 ( -0.238 -7.694 0.000) 7.697 8.591 ( 0.808 -8.066 0.000) 8.106 8.716 ( -8.170 6.924 0.000) 10.709 9.186 ( -9.101 -2.132 0.000) 9.347 9.568 ( -4.985 -2.772 0.000) 5.704 9.698 ( -1.540 -2.776 0.000) 3.175 10.019 ( -7.612 6.066 0.000) 9.733 10.435 ( -8.599 -1.730 0.000) 8.771 10.471 ( 1.976 2.027 0.000) 2.831 10.824 ( -6.482 -2.999 0.000) 7.142 11.908 ( 17.756 1.781 0.000) 17.846 12.245 ( 16.297 -2.643 0.000) 16.510 12.783 ( 4.205 3.957 0.000) 5.774 13.041 ( 1.495 -7.162 0.000) 7.316 13.456 ( -0.690 7.402 0.000) 7.434 13.853 ( 3.768 -5.173 0.000) 6.400 14.062 ( -2.290 6.961 0.000) 7.328 14.147 ( -0.129 9.082 0.000) 9.083 14.480 ( -16.711 6.735 0.000) 18.017 14.719 ( 4.564 -2.715 0.000) 5.310 14.900 ( -2.285 0.822 0.000) 2.428 15.274 ( -5.628 2.830 0.000) 6.300 16.489 ( -5.870 1.071 0.000) 5.967 16.761 ( -2.668 -4.158 0.000) 4.940 17.064 ( -12.650 13.444 0.000) 18.460 17.544 ( -11.226 2.975 0.000) 11.613 18.167 ( 4.070 4.257 0.000) 5.889 18.421 ( 8.717 -0.414 0.000) 8.727 18.626 ( -2.932 1.689 0.000) 3.384 19.035 ( -0.755 -4.035 0.000) 4.105 19.416 ( 1.011 -0.233 0.000) 1.037 19.649 ( 2.547 0.210 0.000) 2.555 19.929 ( 1.656 -5.215 0.000) 5.471 20.340 ( -3.697 -4.954 0.000) 6.181 20.911 ( 4.423 7.021 0.000) 8.298 21.228 ( -3.428 4.554 0.000) 5.700 21.631 ( 0.996 -10.151 0.000) 10.200 22.006 ( -4.066 -11.385 0.000) 12.090 ======================= Grid point 37 (23/144) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 11.008 7.813 0.000) 13.498 2.686 ( 14.291 2.224 0.000) 14.463 2.981 ( -8.057 3.234 0.000) 8.682 3.173 ( -6.948 -3.782 0.000) 7.911 3.993 ( 8.306 11.627 0.000) 14.289 4.051 ( 7.939 11.786 0.000) 14.210 4.247 ( 0.200 9.663 0.000) 9.665 4.590 ( -8.855 -5.751 0.000) 10.559 5.001 ( 3.733 -0.073 0.000) 3.734 5.051 ( 1.537 -0.316 0.000) 1.569 5.376 ( 10.657 -2.305 0.000) 10.903 5.807 ( -7.552 3.131 0.000) 8.175 6.035 ( 9.958 2.280 0.000) 10.216 6.177 ( 3.465 -1.999 0.000) 4.000 6.550 ( -1.220 -6.067 0.000) 6.188 6.838 ( -8.753 -6.155 0.000) 10.701 6.980 ( 3.700 -2.393 0.000) 4.407 7.204 ( 4.477 -0.505 0.000) 4.506 7.399 ( -8.437 5.893 0.000) 10.291 7.615 ( -1.893 3.090 0.000) 3.624 7.858 ( 5.295 -13.102 0.000) 14.131 8.060 ( 0.151 -19.061 0.000) 19.062 8.101 ( 4.627 -8.035 0.000) 9.272 8.441 ( -11.684 -7.328 0.000) 13.792 8.683 ( 2.527 -1.296 0.000) 2.840 8.967 ( -11.301 -4.122 0.000) 12.029 9.517 ( 0.105 -0.865 0.000) 0.872 9.644 ( -3.973 -0.178 0.000) 3.977 9.969 ( 2.617 2.467 0.000) 3.597 10.255 ( -8.934 -1.441 0.000) 9.049 10.522 ( 3.213 0.045 0.000) 3.214 10.704 ( -5.422 -1.462 0.000) 5.616 12.280 ( 18.799 1.706 0.000) 18.876 12.570 ( 14.733 -0.919 0.000) 14.761 12.845 ( -0.009 3.352 0.000) 3.352 13.015 ( -4.387 -3.810 0.000) 5.811 13.437 ( -1.002 7.886 0.000) 7.949 13.679 ( -14.956 2.072 0.000) 15.098 14.144 ( 1.889 8.133 0.000) 8.349 14.187 ( 8.866 3.097 0.000) 9.391 14.269 ( -3.707 7.428 0.000) 8.301 14.709 ( -8.598 -0.189 0.000) 8.600 14.909 ( 5.903 0.326 0.000) 5.912 15.167 ( -5.168 2.293 0.000) 5.654 16.398 ( -2.235 2.442 0.000) 3.311 16.596 ( -10.692 5.065 0.000) 11.831 16.998 ( 3.751 2.701 0.000) 4.622 17.320 ( -10.512 1.618 0.000) 10.636 18.261 ( 5.105 5.405 0.000) 7.435 18.467 ( -3.706 5.585 0.000) 6.702 18.693 ( 8.716 -4.346 0.000) 9.740 18.993 ( -3.962 -5.327 0.000) 6.639 19.461 ( 3.562 1.848 0.000) 4.013 19.639 ( -3.053 3.955 0.000) 4.997 20.007 ( 5.557 -8.924 0.000) 10.513 20.249 ( -5.245 -6.450 0.000) 8.313 20.993 ( 3.853 5.700 0.000) 6.880 21.152 ( -3.921 4.357 0.000) 5.861 21.680 ( 3.839 -10.404 0.000) 11.089 21.902 ( -5.879 -11.005 0.000) 12.477 ======================= Grid point 38 (24/144) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -7.520 5.258 0.000) 9.176 2.779 ( 7.520 5.258 0.000) 9.176 2.973 ( -11.142 -1.470 0.000) 11.239 2.973 ( 11.142 -1.470 0.000) 11.239 4.113 ( -0.671 15.785 0.000) 15.800 4.113 ( 0.671 15.785 0.000) 15.800 4.368 ( -11.063 -2.868 0.000) 11.429 4.368 ( 11.063 -2.868 0.000) 11.429 5.055 ( -0.147 -0.172 0.000) 0.226 5.055 ( 0.147 -0.172 0.000) 0.226 5.603 ( -8.996 -0.750 0.000) 9.027 5.603 ( 8.996 -0.750 0.000) 9.027 6.198 ( -1.128 2.146 0.000) 2.424 6.198 ( 1.128 2.146 0.000) 2.424 6.622 ( -7.631 -6.168 0.000) 9.812 6.622 ( 7.631 -6.168 0.000) 9.812 7.112 ( -5.325 0.659 0.000) 5.365 7.112 ( 5.325 0.659 0.000) 5.365 7.484 ( -8.807 3.788 0.000) 9.587 7.484 ( 8.807 3.788 0.000) 9.587 7.980 ( -1.887 -15.908 0.000) 16.020 7.980 ( 1.887 -15.908 0.000) 16.020 8.240 ( -3.654 -8.990 0.000) 9.704 8.240 ( 3.654 -8.990 0.000) 9.704 8.774 ( -2.572 -4.889 0.000) 5.525 8.774 ( 2.572 -4.889 0.000) 5.525 9.560 ( -1.648 0.538 0.000) 1.733 9.560 ( 1.648 0.538 0.000) 1.733 10.083 ( -1.436 -0.132 0.000) 1.442 10.083 ( 1.436 -0.132 0.000) 1.442 10.602 ( -0.846 -1.013 0.000) 1.320 10.602 ( 0.846 -1.013 0.000) 1.320 12.640 ( -14.057 2.544 0.000) 14.285 12.640 ( 14.057 2.544 0.000) 14.285 12.870 ( -8.474 -1.156 0.000) 8.553 12.870 ( 8.474 -1.156 0.000) 8.553 13.465 ( -1.427 6.218 0.000) 6.380 13.465 ( 1.427 6.218 0.000) 6.380 14.176 ( -0.362 6.270 0.000) 6.281 14.176 ( 0.362 6.270 0.000) 6.281 14.470 ( -11.720 3.005 0.000) 12.099 14.470 ( 11.720 3.005 0.000) 12.099 15.048 ( -6.707 0.343 0.000) 6.716 15.048 ( 6.707 0.343 0.000) 6.716 16.426 ( -2.470 5.088 0.000) 5.655 16.426 ( 2.470 5.088 0.000) 5.655 17.128 ( -8.002 0.737 0.000) 8.036 17.128 ( 8.002 0.737 0.000) 8.036 18.369 ( -2.420 6.140 0.000) 6.600 18.369 ( 2.420 6.140 0.000) 6.600 18.870 ( -7.364 -5.390 0.000) 9.126 18.870 ( 7.364 -5.390 0.000) 9.126 19.552 ( -2.862 3.372 0.000) 4.423 19.552 ( 2.862 3.372 0.000) 4.423 20.131 ( -5.594 -8.004 0.000) 9.765 20.131 ( 5.594 -8.004 0.000) 9.765 21.072 ( -2.603 4.733 0.000) 5.402 21.072 ( 2.603 4.733 0.000) 5.402 21.781 ( -5.736 -10.692 0.000) 12.133 21.781 ( 5.736 -10.692 0.000) 12.133 ======================= Grid point 44 (25/144) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 16.939 0.000) 16.939 2.283 ( 0.000 8.201 0.000) 8.201 2.573 ( 0.000 10.375 0.000) 10.375 3.352 ( 0.000 -18.971 0.000) 18.971 4.026 ( 0.000 12.532 0.000) 12.532 4.154 ( 0.000 0.543 0.000) 0.543 4.234 ( 0.000 9.315 0.000) 9.315 4.434 ( 0.000 -2.464 0.000) 2.464 4.793 ( 0.000 7.281 0.000) 7.281 4.935 ( 0.000 2.885 0.000) 2.885 5.412 ( 0.000 4.547 0.000) 4.547 5.561 ( 0.000 6.764 0.000) 6.764 6.009 ( 0.000 -1.802 0.000) 1.802 6.244 ( 0.000 -18.249 0.000) 18.249 6.462 ( 0.000 13.655 0.000) 13.655 6.742 ( 0.000 -1.433 0.000) 1.433 7.017 ( 0.000 -6.320 0.000) 6.320 7.021 ( 0.000 4.571 0.000) 4.571 7.349 ( 0.000 -6.835 0.000) 6.835 7.533 ( 0.000 -10.154 0.000) 10.154 7.605 ( 0.000 -4.072 0.000) 4.072 7.629 ( 0.000 -9.778 0.000) 9.778 8.438 ( 0.000 -0.367 0.000) 0.367 8.450 ( 0.000 0.863 0.000) 0.863 9.145 ( 0.000 7.286 0.000) 7.286 9.345 ( 0.000 -0.880 0.000) 0.880 9.796 ( 0.000 -0.870 0.000) 0.870 9.827 ( 0.000 -1.944 0.000) 1.944 10.477 ( 0.000 2.002 0.000) 2.002 10.488 ( 0.000 -1.515 0.000) 1.515 10.722 ( 0.000 0.999 0.000) 0.999 10.910 ( 0.000 -3.673 0.000) 3.673 11.418 ( 0.000 3.148 0.000) 3.148 11.576 ( 0.000 -4.280 0.000) 4.280 12.668 ( 0.000 -1.544 0.000) 1.544 12.741 ( 0.000 -6.238 0.000) 6.238 13.536 ( 0.000 1.404 0.000) 1.404 13.660 ( 0.000 -3.985 0.000) 3.985 13.882 ( 0.000 11.101 0.000) 11.101 14.264 ( 0.000 -6.852 0.000) 6.852 14.634 ( 0.000 3.339 0.000) 3.339 14.730 ( 0.000 0.069 0.000) 0.069 15.294 ( 0.000 -0.923 0.000) 0.923 15.414 ( 0.000 -4.475 0.000) 4.475 16.783 ( 0.000 1.304 0.000) 1.304 16.789 ( 0.000 1.237 0.000) 1.237 17.939 ( 0.000 3.394 0.000) 3.394 18.020 ( 0.000 1.343 0.000) 1.343 18.043 ( 0.000 5.224 0.000) 5.224 18.240 ( 0.000 -0.540 0.000) 0.540 18.794 ( 0.000 -2.500 0.000) 2.500 18.894 ( 0.000 -4.947 0.000) 4.947 19.441 ( 0.000 1.070 0.000) 1.070 19.505 ( 0.000 -2.102 0.000) 2.102 20.068 ( 0.000 7.057 0.000) 7.057 20.363 ( 0.000 -6.647 0.000) 6.647 20.841 ( 0.000 15.324 0.000) 15.324 21.385 ( 0.000 -8.430 0.000) 8.430 21.521 ( 0.000 3.245 0.000) 3.245 21.849 ( 0.000 -9.859 0.000) 9.859 ======================= Grid point 45 (26/144) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 10.484 15.193 0.000) 18.460 2.320 ( 3.266 10.251 0.000) 10.759 2.651 ( 7.568 6.722 0.000) 10.122 3.323 ( -2.682 -17.529 0.000) 17.733 3.953 ( -4.517 9.940 0.000) 10.918 4.096 ( -4.039 2.425 0.000) 4.711 4.350 ( 8.532 5.872 0.000) 10.357 4.495 ( 4.497 2.969 0.000) 5.388 4.773 ( -0.698 5.430 0.000) 5.475 4.920 ( -1.260 0.781 0.000) 1.482 5.344 ( -5.027 7.168 0.000) 8.755 5.622 ( 4.590 2.123 0.000) 5.057 5.994 ( -1.399 0.953 0.000) 1.693 6.289 ( 3.844 -17.940 0.000) 18.347 6.432 ( -3.107 12.286 0.000) 12.673 6.746 ( 0.609 -1.485 0.000) 1.605 6.995 ( -0.283 -2.567 0.000) 2.582 7.093 ( 3.476 -2.164 0.000) 4.095 7.304 ( -2.357 -5.238 0.000) 5.744 7.557 ( 2.325 -6.289 0.000) 6.705 7.605 ( -0.042 -9.021 0.000) 9.021 7.672 ( 3.745 -6.582 0.000) 7.573 8.358 ( -5.974 2.987 0.000) 6.680 8.476 ( 0.638 -1.931 0.000) 2.033 9.110 ( -3.276 7.767 0.000) 8.430 9.334 ( -1.439 -2.146 0.000) 2.584 9.730 ( -4.846 -2.461 0.000) 5.435 9.778 ( -5.108 -2.875 0.000) 5.861 10.434 ( -1.459 3.433 0.000) 3.730 10.548 ( 1.113 4.764 0.000) 4.892 10.703 ( -3.148 -2.737 0.000) 4.171 10.859 ( -3.370 -5.481 0.000) 6.434 11.464 ( 5.032 3.626 0.000) 6.202 11.638 ( 6.640 -4.516 0.000) 8.031 12.686 ( 1.830 -0.685 0.000) 1.954 12.769 ( 2.653 -6.077 0.000) 6.631 13.570 ( 2.949 1.568 0.000) 3.340 13.620 ( -2.091 -0.210 0.000) 2.102 13.989 ( 8.432 6.358 0.000) 10.560 14.220 ( -2.969 -3.847 0.000) 4.859 14.697 ( 2.723 3.266 0.000) 4.252 14.749 ( 3.374 -1.294 0.000) 3.614 15.204 ( -8.522 1.353 0.000) 8.628 15.395 ( -1.953 -5.333 0.000) 5.679 16.742 ( -3.826 1.492 0.000) 4.107 16.765 ( -2.224 0.238 0.000) 2.237 17.857 ( -7.085 5.832 0.000) 9.176 18.001 ( -5.098 -0.821 0.000) 5.163 18.094 ( 4.587 3.775 0.000) 5.941 18.168 ( -3.420 1.716 0.000) 3.827 18.770 ( -1.239 0.692 0.000) 1.419 18.962 ( 3.374 -7.667 0.000) 8.377 19.392 ( -2.696 1.445 0.000) 3.059 19.467 ( -2.782 -2.624 0.000) 3.825 20.056 ( -1.280 7.026 0.000) 7.142 20.348 ( -1.536 -6.569 0.000) 6.746 20.897 ( 4.702 13.661 0.000) 14.447 21.385 ( -0.296 -6.265 0.000) 6.272 21.512 ( -0.878 2.083 0.000) 2.260 21.847 ( -0.269 -10.678 0.000) 10.681 ======================= Grid point 46 (27/144) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 11.565 11.679 0.000) 16.436 2.410 ( 5.816 9.974 0.000) 11.546 2.852 ( 10.973 2.146 0.000) 11.181 3.259 ( -3.314 -12.921 0.000) 13.339 3.894 ( -1.043 6.681 0.000) 6.762 4.034 ( -1.289 1.279 0.000) 1.816 4.521 ( 6.729 3.363 0.000) 7.523 4.547 ( 0.268 9.476 0.000) 9.480 4.823 ( 5.893 -0.441 0.000) 5.909 4.900 ( -0.186 -2.028 0.000) 2.037 5.261 ( -1.965 11.104 0.000) 11.276 5.725 ( 5.429 -4.860 0.000) 7.286 5.965 ( -0.657 6.646 0.000) 6.679 6.339 ( -5.620 11.431 0.000) 12.738 6.367 ( 3.020 -16.188 0.000) 16.468 6.774 ( 2.170 -1.672 0.000) 2.740 6.982 ( -1.495 -4.457 0.000) 4.701 7.069 ( -4.512 -7.298 0.000) 8.580 7.371 ( 8.131 -2.366 0.000) 8.469 7.595 ( 0.467 -0.492 0.000) 0.679 7.630 ( 3.309 -11.838 0.000) 12.292 7.752 ( 3.410 -4.757 0.000) 5.853 8.199 ( -9.469 5.664 0.000) 11.034 8.468 ( -1.717 -5.901 0.000) 6.145 9.016 ( -5.977 8.400 0.000) 10.310 9.272 ( -5.066 -3.935 0.000) 6.415 9.624 ( -5.696 -3.039 0.000) 6.456 9.669 ( -4.054 -3.894 0.000) 5.622 10.345 ( -8.284 6.912 0.000) 10.789 10.544 ( -3.035 5.186 0.000) 6.008 10.561 ( -6.581 -2.378 0.000) 6.997 10.812 ( -2.507 -7.640 0.000) 8.041 11.646 ( 12.941 4.175 0.000) 13.598 11.849 ( 13.685 -5.335 0.000) 14.688 12.747 ( 4.238 1.270 0.000) 4.424 12.845 ( 4.638 -5.320 0.000) 7.057 13.580 ( -0.439 4.311 0.000) 4.333 13.669 ( 5.080 -1.834 0.000) 5.401 14.162 ( 5.815 3.695 0.000) 6.890 14.184 ( 1.492 0.339 0.000) 1.530 14.690 ( -2.415 1.956 0.000) 3.108 14.824 ( -1.151 -3.964 0.000) 4.128 14.994 ( -8.437 8.805 0.000) 12.195 15.337 ( -3.618 -5.935 0.000) 6.950 16.640 ( -5.781 1.808 0.000) 6.057 16.714 ( -2.419 -2.158 0.000) 3.242 17.632 ( -15.068 9.124 0.000) 17.615 17.809 ( -11.450 0.094 0.000) 11.450 18.163 ( 3.125 3.331 0.000) 4.567 18.228 ( 7.009 -0.396 0.000) 7.020 18.740 ( -1.987 3.161 0.000) 3.733 18.971 ( -1.699 -6.585 0.000) 6.801 19.391 ( 1.180 -0.047 0.000) 1.181 19.456 ( 3.520 -4.312 0.000) 5.566 20.014 ( -2.812 6.654 0.000) 7.224 20.301 ( -3.077 -6.668 0.000) 7.344 20.994 ( 4.268 10.976 0.000) 11.777 21.363 ( -1.902 -1.749 0.000) 2.584 21.490 ( -1.041 -0.596 0.000) 1.199 21.831 ( -1.525 -11.891 0.000) 11.988 ======================= Grid point 47 (28/144) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 9.307 7.757 0.000) 12.115 2.557 ( 8.141 6.007 0.000) 10.117 3.034 ( 5.284 0.185 0.000) 5.287 3.190 ( -3.678 -6.689 0.000) 7.634 3.920 ( 3.999 3.980 0.000) 5.642 4.062 ( 4.067 0.398 0.000) 4.086 4.501 ( -3.367 7.063 0.000) 7.825 4.595 ( -1.115 -2.005 0.000) 2.295 4.933 ( 3.587 0.004 0.000) 3.587 4.963 ( 6.575 -0.483 0.000) 6.593 5.297 ( 5.390 12.836 0.000) 13.922 5.816 ( 2.300 -9.534 0.000) 9.807 6.007 ( 5.357 9.364 0.000) 10.788 6.233 ( -3.423 13.534 0.000) 13.961 6.403 ( 0.676 -12.672 0.000) 12.690 6.824 ( 1.642 -2.879 0.000) 3.314 6.929 ( -2.614 -3.244 0.000) 4.166 7.016 ( 0.508 -8.957 0.000) 8.972 7.538 ( 5.847 -4.302 0.000) 7.259 7.615 ( 2.697 -2.357 0.000) 3.582 7.697 ( 2.792 -8.172 0.000) 8.636 7.769 ( -3.203 2.049 0.000) 3.802 8.014 ( -6.653 1.840 0.000) 6.903 8.390 ( -6.305 -11.748 0.000) 13.333 8.870 ( -8.070 7.958 0.000) 11.333 9.116 ( -10.310 -4.884 0.000) 11.408 9.528 ( -2.847 -0.634 0.000) 2.917 9.626 ( -0.662 -4.297 0.000) 4.348 10.149 ( -9.019 6.935 0.000) 11.377 10.369 ( -8.736 -4.304 0.000) 9.739 10.544 ( -0.423 4.557 0.000) 4.577 10.743 ( -4.019 -5.147 0.000) 6.530 11.961 ( 17.369 3.931 0.000) 17.808 12.170 ( 17.323 -5.240 0.000) 18.098 12.846 ( 4.902 2.628 0.000) 5.562 12.938 ( 3.777 -3.629 0.000) 5.237 13.580 ( 0.004 5.648 0.000) 5.648 13.758 ( 2.205 -4.518 0.000) 5.028 14.178 ( 1.037 5.318 0.000) 5.418 14.286 ( 2.687 3.559 0.000) 4.460 14.551 ( -11.516 2.453 0.000) 11.775 14.701 ( -2.933 -1.073 0.000) 3.123 14.956 ( -0.327 6.229 0.000) 6.237 15.254 ( -4.506 -4.687 0.000) 6.502 16.527 ( -4.795 2.924 0.000) 5.616 16.677 ( -1.261 -4.379 0.000) 4.557 17.309 ( -14.925 11.446 0.000) 18.809 17.563 ( -12.604 -1.317 0.000) 12.673 18.249 ( 5.178 4.256 0.000) 6.702 18.390 ( 8.635 -2.648 0.000) 9.032 18.687 ( -3.102 4.716 0.000) 5.644 18.934 ( -1.921 -6.400 0.000) 6.682 19.428 ( 3.046 1.592 0.000) 3.437 19.580 ( 7.110 -5.782 0.000) 9.164 19.944 ( -3.891 5.370 0.000) 6.631 20.223 ( -4.654 -7.114 0.000) 8.502 21.065 ( 2.830 8.698 0.000) 9.147 21.312 ( -3.005 2.155 0.000) 3.698 21.479 ( 0.211 -3.673 0.000) 3.679 21.779 ( -3.641 -11.968 0.000) 12.510 ======================= Grid point 48 (29/144) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 208 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 9.376 4.709 0.000) 10.492 2.731 ( 9.391 2.272 0.000) 9.662 3.025 ( -5.268 1.705 0.000) 5.537 3.105 ( -5.399 -3.223 0.000) 6.288 4.062 ( 9.572 1.958 0.000) 9.771 4.178 ( 6.724 0.122 0.000) 6.725 4.415 ( -5.120 4.004 0.000) 6.500 4.498 ( -7.523 -3.669 0.000) 8.370 5.018 ( 3.928 1.763 0.000) 4.305 5.060 ( 2.673 0.447 0.000) 2.710 5.447 ( 8.616 9.493 0.000) 12.820 5.779 ( -5.684 -4.757 0.000) 7.412 6.147 ( 6.508 2.544 0.000) 6.987 6.249 ( 3.874 13.765 0.000) 14.300 6.421 ( 2.875 -6.035 0.000) 6.684 6.762 ( -6.856 -1.009 0.000) 6.930 6.962 ( 5.307 -0.912 0.000) 5.385 7.103 ( 6.717 -11.577 0.000) 13.385 7.514 ( -6.906 4.471 0.000) 8.227 7.671 ( -3.215 2.625 0.000) 4.151 7.693 ( 1.648 -4.086 0.000) 4.406 7.736 ( 1.004 -10.404 0.000) 10.452 7.975 ( 2.061 -4.794 0.000) 5.218 8.224 ( -8.920 -13.283 0.000) 16.000 8.723 ( -5.221 3.733 0.000) 6.418 8.881 ( -11.497 -4.533 0.000) 12.358 9.517 ( 1.387 1.057 0.000) 1.744 9.613 ( -1.369 -2.716 0.000) 3.042 10.037 ( -1.436 4.262 0.000) 4.497 10.205 ( -7.315 -3.749 0.000) 8.220 10.545 ( 0.831 2.182 0.000) 2.335 10.659 ( -4.141 -2.991 0.000) 5.108 12.336 ( 19.240 4.084 0.000) 19.668 12.523 ( 16.587 -3.973 0.000) 17.057 12.900 ( -1.313 2.338 0.000) 2.681 12.963 ( -2.136 -1.784 0.000) 2.783 13.562 ( -1.813 5.287 0.000) 5.589 13.685 ( -8.462 -1.185 0.000) 8.544 14.243 ( 4.682 4.016 0.000) 6.168 14.289 ( -1.056 3.934 0.000) 4.074 14.408 ( -0.514 7.603 0.000) 7.620 14.668 ( -3.046 -4.216 0.000) 5.201 14.942 ( 0.608 3.701 0.000) 3.751 15.150 ( -5.908 -3.845 0.000) 7.049 16.473 ( 0.053 5.096 0.000) 5.096 16.638 ( -3.595 -1.022 0.000) 3.737 17.095 ( -4.688 6.967 0.000) 8.397 17.316 ( -11.327 -2.358 0.000) 11.570 18.366 ( 6.182 5.605 0.000) 8.344 18.550 ( 4.201 0.116 0.000) 4.203 18.631 ( 0.207 1.079 0.000) 1.099 18.874 ( -4.354 -6.962 0.000) 8.211 19.517 ( 5.526 4.044 0.000) 6.847 19.694 ( 2.131 -0.444 0.000) 2.176 19.886 ( 0.063 -1.320 0.000) 1.321 20.112 ( -6.268 -7.708 0.000) 9.935 21.118 ( 2.669 7.090 0.000) 7.575 21.246 ( -3.427 4.700 0.000) 5.817 21.508 ( 2.700 -6.775 0.000) 7.293 21.688 ( -5.062 -10.979 0.000) 12.089 ======================= Grid point 49 (30/144) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -1.273 2.984 0.000) 3.244 2.858 ( 1.273 2.984 0.000) 3.244 2.956 ( -2.826 -0.386 0.000) 2.852 2.956 ( 2.826 -0.386 0.000) 2.852 4.262 ( -6.753 1.249 0.000) 6.868 4.262 ( 6.753 1.249 0.000) 6.868 4.337 ( -5.860 -0.854 0.000) 5.922 4.337 ( 5.860 -0.854 0.000) 5.922 5.072 ( -0.185 1.388 0.000) 1.401 5.072 ( 0.185 1.388 0.000) 1.401 5.626 ( -6.697 2.929 0.000) 7.310 5.626 ( 6.697 2.929 0.000) 7.310 6.249 ( -0.793 1.390 0.000) 1.600 6.249 ( 0.793 1.390 0.000) 1.600 6.582 ( -7.961 4.215 0.000) 9.008 6.582 ( 7.961 4.215 0.000) 9.008 7.106 ( -6.038 -3.980 0.000) 7.232 7.106 ( 6.038 -3.980 0.000) 7.232 7.526 ( -6.891 -0.258 0.000) 6.896 7.526 ( 6.891 -0.258 0.000) 6.896 7.725 ( -0.128 -7.162 0.000) 7.163 7.725 ( 0.128 -7.162 0.000) 7.163 8.070 ( -4.436 -8.400 0.000) 9.499 8.070 ( 4.436 -8.400 0.000) 9.499 8.708 ( -0.653 -2.024 0.000) 2.126 8.708 ( 0.653 -2.024 0.000) 2.126 9.565 ( -0.596 0.112 0.000) 0.606 9.565 ( 0.596 0.112 0.000) 0.606 10.079 ( -0.458 -0.360 0.000) 0.583 10.079 ( 0.458 -0.360 0.000) 0.583 10.584 ( -0.265 -0.733 0.000) 0.779 10.584 ( 0.265 -0.733 0.000) 0.779 12.694 ( -12.133 2.829 0.000) 12.458 12.694 ( 12.133 2.829 0.000) 12.458 12.842 ( -7.581 -1.684 0.000) 7.766 12.842 ( 7.581 -1.684 0.000) 7.766 13.554 ( -0.263 3.026 0.000) 3.038 13.554 ( 0.263 3.026 0.000) 3.038 14.280 ( -0.002 3.984 0.000) 3.984 14.280 ( 0.002 3.984 0.000) 3.984 14.530 ( -4.852 3.097 0.000) 5.756 14.530 ( 4.852 3.097 0.000) 5.756 15.021 ( -4.269 -2.545 0.000) 4.970 15.021 ( 4.269 -2.545 0.000) 4.970 16.533 ( -3.221 5.236 0.000) 6.148 16.533 ( 3.221 5.236 0.000) 6.148 17.126 ( -4.577 -0.678 0.000) 4.627 17.126 ( 4.577 -0.678 0.000) 4.627 18.489 ( -3.187 6.444 0.000) 7.189 18.489 ( 3.187 6.444 0.000) 7.189 18.755 ( -3.959 -6.493 0.000) 7.604 18.755 ( 3.959 -6.493 0.000) 7.604 19.637 ( -3.478 5.244 0.000) 6.293 19.637 ( 3.478 5.244 0.000) 6.293 19.976 ( -4.421 -7.803 0.000) 8.969 19.976 ( 4.421 -7.804 0.000) 8.969 21.178 ( -2.221 6.023 0.000) 6.419 21.178 ( 2.221 6.023 0.000) 6.419 21.585 ( -4.350 -9.247 0.000) 10.219 21.585 ( 4.350 -9.247 0.000) 10.219 ======================= Grid point 55 (31/144) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 0.000 -10.772 0.000) 10.772 2.202 ( 0.000 10.772 0.000) 10.772 2.941 ( 0.000 -22.406 0.000) 22.406 2.941 ( 0.000 22.406 0.000) 22.406 4.151 ( 0.000 -1.944 0.000) 1.944 4.151 ( 0.000 1.944 0.000) 1.944 4.366 ( 0.000 -5.066 0.000) 5.066 4.366 ( 0.000 5.066 0.000) 5.066 4.906 ( 0.000 -4.569 0.000) 4.569 4.906 ( 0.000 4.569 0.000) 4.569 5.580 ( 0.000 -7.342 0.000) 7.342 5.580 ( 0.000 7.342 0.000) 7.342 6.001 ( 0.000 -4.368 0.000) 4.368 6.001 ( 0.000 4.368 0.000) 4.368 6.707 ( 0.000 -5.998 0.000) 5.998 6.707 ( 0.000 5.998 0.000) 5.998 6.992 ( 0.000 -5.853 0.000) 5.853 6.992 ( 0.000 5.853 0.000) 5.853 7.328 ( 0.000 -7.838 0.000) 7.838 7.328 ( 0.000 7.838 0.000) 7.838 7.560 ( 0.000 -0.341 0.000) 0.341 7.560 ( 0.000 0.341 0.000) 0.341 8.444 ( 0.000 -0.815 0.000) 0.815 8.444 ( 0.000 0.815 0.000) 0.815 9.276 ( 0.000 -5.899 0.000) 5.899 9.276 ( 0.000 5.899 0.000) 5.899 9.799 ( 0.000 -1.021 0.000) 1.021 9.799 ( 0.000 1.021 0.000) 1.021 10.470 ( 0.000 -0.225 0.000) 0.225 10.470 ( 0.000 0.225 0.000) 0.225 10.816 ( 0.000 -6.032 0.000) 6.032 10.816 ( 0.000 6.032 0.000) 6.032 11.490 ( 0.000 -4.367 0.000) 4.367 11.490 ( 0.000 4.367 0.000) 4.367 12.665 ( 0.000 -1.675 0.000) 1.675 12.665 ( 0.000 1.675 0.000) 1.675 13.586 ( 0.000 -3.541 0.000) 3.541 13.586 ( 0.000 3.541 0.000) 3.541 14.094 ( 0.000 -10.398 0.000) 10.398 14.094 ( 0.000 10.398 0.000) 10.398 14.700 ( 0.000 -3.033 0.000) 3.033 14.700 ( 0.000 3.033 0.000) 3.033 15.327 ( 0.000 -3.885 0.000) 3.885 15.327 ( 0.000 3.885 0.000) 3.885 16.799 ( 0.000 -0.266 0.000) 0.266 16.799 ( 0.000 0.266 0.000) 0.266 17.996 ( 0.000 -2.380 0.000) 2.380 17.996 ( 0.000 2.380 0.000) 2.380 18.170 ( 0.000 -6.060 0.000) 6.060 18.170 ( 0.000 6.060 0.000) 6.060 18.807 ( 0.000 -3.402 0.000) 3.402 18.807 ( 0.000 3.402 0.000) 3.402 19.468 ( 0.000 -1.698 0.000) 1.698 19.468 ( 0.000 1.698 0.000) 1.698 20.217 ( 0.000 -8.140 0.000) 8.140 20.217 ( 0.000 8.140 0.000) 8.140 21.135 ( 0.000 -14.948 0.000) 14.948 21.135 ( 0.000 14.948 0.000) 14.948 21.665 ( 0.000 -9.116 0.000) 9.116 21.665 ( 0.000 9.116 0.000) 9.116 ======================= Grid point 57 (32/144) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 7.594 -8.798 0.000) 11.622 2.288 ( 7.594 8.798 0.000) 11.622 2.949 ( 1.054 -19.784 0.000) 19.813 2.949 ( 1.054 19.784 0.000) 19.813 4.076 ( -5.079 -3.578 0.000) 6.212 4.076 ( -5.079 3.578 0.000) 6.212 4.465 ( 7.405 -3.659 0.000) 8.259 4.465 ( 7.405 3.659 0.000) 8.259 4.873 ( -2.657 -3.692 0.000) 4.548 4.873 ( -2.657 3.692 0.000) 4.548 5.560 ( -1.537 -9.778 0.000) 9.898 5.560 ( -1.537 9.778 0.000) 9.898 6.038 ( 3.185 -5.205 0.000) 6.102 6.038 ( 3.185 5.205 0.000) 6.102 6.688 ( -1.845 -8.397 0.000) 8.597 6.688 ( -1.845 8.397 0.000) 8.597 6.979 ( -1.404 -5.371 0.000) 5.551 6.979 ( -1.404 5.371 0.000) 5.551 7.351 ( 2.358 -8.641 0.000) 8.957 7.351 ( 2.358 8.641 0.000) 8.957 7.591 ( 2.865 -1.575 0.000) 3.269 7.591 ( 2.865 1.575 0.000) 3.269 8.420 ( -2.505 -1.676 0.000) 3.014 8.420 ( -2.505 1.676 0.000) 3.014 9.250 ( -2.587 -6.232 0.000) 6.747 9.250 ( -2.587 6.232 0.000) 6.747 9.725 ( -5.942 -0.999 0.000) 6.026 9.725 ( -5.942 0.999 0.000) 6.026 10.518 ( 2.728 -2.271 0.000) 3.549 10.518 ( 2.728 2.271 0.000) 3.549 10.755 ( -5.394 -5.216 0.000) 7.503 10.755 ( -5.394 5.216 0.000) 7.503 11.546 ( 5.886 -3.634 0.000) 6.917 11.546 ( 5.886 3.634 0.000) 6.917 12.693 ( 2.765 -1.387 0.000) 3.093 12.693 ( 2.765 1.387 0.000) 3.093 13.601 ( 1.395 -0.569 0.000) 1.507 13.601 ( 1.395 0.569 0.000) 1.507 14.119 ( 2.516 -5.100 0.000) 5.687 14.119 ( 2.516 5.100 0.000) 5.687 14.731 ( 2.327 -0.186 0.000) 2.335 14.731 ( 2.327 0.186 0.000) 2.335 15.280 ( -4.307 -5.846 0.000) 7.262 15.280 ( -4.307 5.846 0.000) 7.262 16.763 ( -3.399 -0.081 0.000) 3.400 16.763 ( -3.399 0.081 0.000) 3.400 17.953 ( -5.353 -2.253 0.000) 5.808 17.953 ( -5.353 2.253 0.000) 5.808 18.159 ( 0.306 -1.659 0.000) 1.687 18.159 ( 0.306 1.659 0.000) 1.687 18.829 ( 1.414 -4.654 0.000) 4.864 18.829 ( 1.414 4.654 0.000) 4.864 19.424 ( -3.051 -0.715 0.000) 3.133 19.424 ( -3.051 0.715 0.000) 3.133 20.204 ( -1.419 -5.712 0.000) 5.886 20.204 ( -1.419 5.712 0.000) 5.886 21.163 ( 2.321 -12.758 0.000) 12.967 21.163 ( 2.321 12.758 0.000) 12.967 21.653 ( -1.219 -9.071 0.000) 9.152 21.653 ( -1.219 9.071 0.000) 9.152 ======================= Grid point 59 (33/144) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 7.886 -3.854 0.000) 8.778 2.457 ( 7.886 3.854 0.000) 8.778 2.998 ( 3.816 -12.504 0.000) 13.074 2.998 ( 3.816 12.504 0.000) 13.074 3.997 ( -2.106 -3.429 0.000) 4.024 3.997 ( -2.106 3.429 0.000) 4.024 4.590 ( 2.909 -0.831 0.000) 3.026 4.590 ( 2.909 0.831 0.000) 3.026 4.846 ( 1.721 -1.224 0.000) 2.112 4.846 ( 1.721 1.224 0.000) 2.112 5.544 ( 0.640 -13.466 0.000) 13.481 5.544 ( 0.640 13.466 0.000) 13.481 6.107 ( 3.317 -8.504 0.000) 9.128 6.107 ( 3.317 8.504 0.000) 9.128 6.636 ( -3.005 -14.934 0.000) 15.234 6.636 ( -3.005 14.934 0.000) 15.234 6.942 ( -1.862 -0.984 0.000) 2.106 6.942 ( -1.862 0.984 0.000) 2.106 7.422 ( 4.382 -4.687 0.000) 6.416 7.422 ( 4.382 4.687 0.000) 6.416 7.662 ( 3.700 -3.427 0.000) 5.043 7.662 ( 3.700 3.427 0.000) 5.043 8.332 ( -6.416 -4.664 0.000) 7.932 8.332 ( -6.416 4.664 0.000) 7.932 9.167 ( -5.776 -6.846 0.000) 8.957 9.167 ( -5.776 6.846 0.000) 8.957 9.609 ( -4.693 -1.004 0.000) 4.799 9.609 ( -4.693 1.004 0.000) 4.799 10.471 ( -8.267 -2.333 0.000) 8.590 10.471 ( -8.267 2.333 0.000) 8.590 10.671 ( -1.715 -3.955 0.000) 4.310 10.671 ( -1.715 3.955 0.000) 4.310 11.741 ( 13.158 -3.072 0.000) 13.512 11.741 ( 13.158 3.072 0.000) 13.512 12.776 ( 5.275 -1.312 0.000) 5.436 12.776 ( 5.275 1.312 0.000) 5.436 13.638 ( 2.108 -0.459 0.000) 2.157 13.638 ( 2.108 0.459 0.000) 2.157 14.191 ( 4.260 -0.012 0.000) 4.260 14.191 ( 4.260 0.012 0.000) 4.260 14.744 ( -2.339 -3.615 0.000) 4.305 14.744 ( -2.339 3.615 0.000) 4.305 15.181 ( -4.426 -9.518 0.000) 10.497 15.181 ( -4.426 9.518 0.000) 10.497 16.676 ( -4.649 -0.514 0.000) 4.677 16.676 ( -4.649 0.514 0.000) 4.677 17.765 ( -12.461 -2.573 0.000) 12.724 17.765 ( -12.461 2.573 0.000) 12.724 18.211 ( 4.464 -0.510 0.000) 4.493 18.211 ( 4.464 0.510 0.000) 4.493 18.836 ( -0.901 -3.318 0.000) 3.438 18.836 ( -0.901 3.318 0.000) 3.438 19.403 ( 1.606 -0.643 0.000) 1.730 19.403 ( 1.606 0.643 0.000) 1.730 20.158 ( -3.120 -4.683 0.000) 5.627 20.158 ( -3.120 4.683 0.000) 5.627 21.207 ( 1.613 -9.052 0.000) 9.195 21.207 ( 1.613 9.052 0.000) 9.195 21.618 ( -2.143 -9.426 0.000) 9.666 21.618 ( -2.143 9.426 0.000) 9.666 ======================= Grid point 61 (34/144) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 6.679 -1.813 0.000) 6.920 2.599 ( 6.679 1.813 0.000) 6.920 3.073 ( 2.287 -1.961 0.000) 3.013 3.073 ( 2.287 1.961 0.000) 3.013 4.007 ( 3.277 -4.758 0.000) 5.777 4.007 ( 3.277 4.758 0.000) 5.777 4.562 ( -4.315 -0.345 0.000) 4.328 4.562 ( -4.315 0.345 0.000) 4.328 4.946 ( 6.271 -0.513 0.000) 6.292 4.946 ( 6.271 0.513 0.000) 6.292 5.590 ( 3.357 -13.425 0.000) 13.838 5.590 ( 3.357 13.425 0.000) 13.838 6.172 ( 3.147 -9.004 0.000) 9.538 6.172 ( 3.147 9.004 0.000) 9.538 6.594 ( -0.261 -19.532 0.000) 19.534 6.594 ( -0.261 19.532 0.000) 19.534 6.914 ( -0.701 -0.175 0.000) 0.723 6.914 ( -0.701 0.175 0.000) 0.723 7.515 ( 4.350 -0.486 0.000) 4.377 7.515 ( 4.350 0.486 0.000) 4.377 7.725 ( 2.106 -3.765 0.000) 4.314 7.725 ( 2.106 3.765 0.000) 4.314 8.163 ( -9.786 -8.687 0.000) 13.086 8.163 ( -9.786 8.687 0.000) 13.086 9.008 ( -9.813 -4.725 0.000) 10.891 9.008 ( -9.813 4.725 0.000) 10.891 9.552 ( -0.925 -2.623 0.000) 2.781 9.552 ( -0.925 2.623 0.000) 2.781 10.272 ( -9.519 -1.891 0.000) 9.705 10.272 ( -9.519 1.891 0.000) 9.705 10.640 ( -1.917 -1.718 0.000) 2.574 10.640 ( -1.917 1.718 0.000) 2.574 12.058 ( 17.514 -3.453 0.000) 17.851 12.058 ( 17.514 3.453 0.000) 17.851 12.888 ( 4.981 -1.233 0.000) 5.132 12.888 ( 4.981 1.233 0.000) 5.132 13.675 ( 0.907 -1.707 0.000) 1.933 13.675 ( 0.907 1.707 0.000) 1.933 14.269 ( 2.812 -1.298 0.000) 3.097 14.269 ( 2.812 1.298 0.000) 3.097 14.634 ( -6.688 -4.880 0.000) 8.279 14.634 ( -6.688 4.880 0.000) 8.279 15.116 ( -2.722 -8.856 0.000) 9.265 15.116 ( -2.722 8.856 0.000) 9.265 16.595 ( -2.798 -2.257 0.000) 3.595 16.595 ( -2.798 2.257 0.000) 3.595 17.486 ( -14.107 -5.053 0.000) 14.985 17.486 ( -14.107 5.053 0.000) 14.985 18.327 ( 6.730 -1.878 0.000) 6.987 18.327 ( 6.730 1.878 0.000) 6.987 18.802 ( -2.336 -2.713 0.000) 3.580 18.802 ( -2.336 2.713 0.000) 3.580 19.481 ( 5.619 -3.825 0.000) 6.797 19.481 ( 5.619 3.825 0.000) 6.797 20.077 ( -4.821 -4.772 0.000) 6.783 20.077 ( -4.821 4.772 0.000) 6.783 21.229 ( 0.800 -6.817 0.000) 6.864 21.229 ( 0.800 6.817 0.000) 6.864 21.566 ( -2.949 -9.457 0.000) 9.906 21.566 ( -2.949 9.457 0.000) 9.906 ======================= Grid point 63 (35/144) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 8.026 -0.133 0.000) 8.027 2.747 ( 8.026 0.133 0.000) 8.027 3.056 ( -4.052 -0.222 0.000) 4.058 3.056 ( -4.052 0.222 0.000) 4.058 4.123 ( 7.607 -3.026 0.000) 8.187 4.123 ( 7.607 3.026 0.000) 8.187 4.448 ( -6.674 -0.467 0.000) 6.690 4.448 ( -6.674 0.467 0.000) 6.690 5.051 ( 3.588 -0.617 0.000) 3.641 5.051 ( 3.588 0.617 0.000) 3.641 5.649 ( 1.913 -6.616 0.000) 6.887 5.649 ( 1.913 6.616 0.000) 6.887 6.228 ( 2.022 -3.701 0.000) 4.217 6.228 ( 2.022 3.701 0.000) 4.217 6.648 ( 4.806 -16.914 0.000) 17.583 6.648 ( 4.806 16.914 0.000) 17.583 6.927 ( 2.460 -0.312 0.000) 2.480 6.927 ( 2.460 0.312 0.000) 2.480 7.567 ( -0.427 -0.735 0.000) 0.850 7.567 ( -0.427 0.735 0.000) 0.850 7.724 ( -2.554 -0.787 0.000) 2.673 7.724 ( -2.554 0.787 0.000) 2.673 7.995 ( -4.488 -8.414 0.000) 9.536 7.995 ( -4.488 8.414 0.000) 9.536 8.799 ( -9.430 -1.375 0.000) 9.530 8.799 ( -9.430 1.375 0.000) 9.530 9.556 ( 0.784 -1.336 0.000) 1.549 9.556 ( 0.784 1.336 0.000) 1.549 10.122 ( -4.903 -0.884 0.000) 4.982 10.122 ( -4.903 0.884 0.000) 4.982 10.598 ( -1.870 -0.545 0.000) 1.947 10.598 ( -1.870 0.545 0.000) 1.947 12.429 ( 18.439 -4.082 0.000) 18.885 12.429 ( 18.439 4.082 0.000) 18.885 12.935 ( -1.627 -1.415 0.000) 2.156 12.935 ( -1.627 1.415 0.000) 2.156 13.642 ( -4.039 -0.765 0.000) 4.111 13.642 ( -4.039 0.765 0.000) 4.111 14.303 ( 1.121 -0.209 0.000) 1.140 14.303 ( 1.121 0.209 0.000) 1.140 14.556 ( -0.524 -5.802 0.000) 5.826 14.556 ( -0.524 5.802 0.000) 5.826 15.045 ( -4.191 -4.557 0.000) 6.191 15.045 ( -4.191 4.557 0.000) 6.191 16.575 ( 0.586 -4.002 0.000) 4.045 16.575 ( 0.586 4.002 0.000) 4.045 17.230 ( -10.197 -4.940 0.000) 11.331 17.230 ( -10.197 4.940 0.000) 11.331 18.473 ( 7.382 -2.908 0.000) 7.934 18.473 ( 7.382 2.908 0.000) 7.934 18.736 ( -4.254 -2.902 0.000) 5.150 18.736 ( -4.254 2.902 0.000) 5.150 19.613 ( 6.892 -5.582 0.000) 8.869 19.613 ( 6.892 5.582 0.000) 8.869 19.965 ( -6.017 -4.881 0.000) 7.747 19.965 ( -6.017 4.881 0.000) 7.748 21.247 ( 0.993 -5.111 0.000) 5.207 21.247 ( 0.993 5.111 0.000) 5.207 21.505 ( -2.785 -6.897 0.000) 7.438 21.505 ( -2.785 6.897 0.000) 7.438 ======================= Grid point 65 (36/144) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 0.000 0.000) 0.000 2.953 ( -0.000 0.000 0.000) 0.000 2.953 ( -0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.087 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 5.666 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.709 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 8.690 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 9.566 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.074 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.729 ( 0.000 0.000 0.000) 0.000 12.819 ( -0.000 0.000 0.000) 0.000 12.819 ( -0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.567 ( -0.000 0.000 0.000) 0.000 14.567 ( -0.000 0.000 0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 14.988 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 17.116 ( 0.000 0.000 0.000) 0.000 17.116 ( 0.000 0.000 0.000) 0.000 18.595 ( 0.000 0.000 0.000) 0.000 18.595 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 18.648 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.713 ( 0.000 0.000 0.000) 0.000 19.874 ( 0.000 0.000 0.000) 0.000 19.874 ( 0.000 0.000 0.000) 0.000 21.260 ( 0.000 0.000 0.000) 0.000 21.260 ( 0.000 0.000 0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 21.472 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 121 (37/144) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 0.000 35.776) 35.776 0.765 ( 0.000 0.000 37.913) 37.913 1.222 ( 0.000 0.000 61.625) 61.625 2.349 ( 0.000 0.000 2.502) 2.502 2.541 ( 0.000 0.000 -5.489) 5.489 3.935 ( 0.000 0.000 6.820) 6.820 4.366 ( 0.000 0.000 1.028) 1.028 4.634 ( 0.000 0.000 -2.094) 2.094 4.883 ( 0.000 0.000 -23.684) 23.684 5.200 ( 0.000 0.000 -10.473) 10.473 5.239 ( 0.000 0.000 2.885) 2.885 5.675 ( 0.000 0.000 13.315) 13.315 5.779 ( 0.000 0.000 -4.817) 4.817 6.448 ( 0.000 0.000 1.788) 1.788 6.502 ( 0.000 0.000 0.143) 0.143 7.260 ( 0.000 0.000 -0.194) 0.194 7.316 ( 0.000 0.000 1.636) 1.636 7.432 ( 0.000 0.000 -16.769) 16.769 7.489 ( 0.000 0.000 -9.836) 9.836 7.860 ( 0.000 0.000 4.219) 4.219 8.160 ( 0.000 0.000 13.345) 13.345 8.272 ( 0.000 0.000 -6.279) 6.279 8.649 ( 0.000 0.000 4.939) 4.939 8.716 ( 0.000 0.000 -3.406) 3.406 9.030 ( 0.000 0.000 -0.496) 0.496 9.118 ( 0.000 0.000 -1.058) 1.058 9.555 ( 0.000 0.000 7.005) 7.005 10.164 ( 0.000 0.000 -5.234) 5.234 10.175 ( 0.000 0.000 1.495) 1.495 10.523 ( 0.000 0.000 -5.074) 5.074 11.107 ( 0.000 0.000 -0.675) 0.675 11.300 ( 0.000 0.000 4.750) 4.750 11.339 ( 0.000 0.000 -3.264) 3.264 11.546 ( 0.000 0.000 -0.570) 0.570 12.865 ( 0.000 0.000 6.497) 6.497 12.964 ( 0.000 0.000 1.189) 1.189 13.119 ( 0.000 0.000 -1.198) 1.198 13.259 ( 0.000 0.000 0.381) 0.381 14.305 ( 0.000 0.000 0.836) 0.836 14.350 ( 0.000 0.000 0.915) 0.915 14.737 ( 0.000 0.000 5.883) 5.883 15.017 ( 0.000 0.000 0.856) 0.856 15.036 ( 0.000 0.000 0.709) 0.709 15.537 ( 0.000 0.000 -6.776) 6.776 16.792 ( 0.000 0.000 0.148) 0.148 16.969 ( 0.000 0.000 -2.458) 2.458 17.705 ( 0.000 0.000 0.194) 0.194 17.839 ( 0.000 0.000 -3.384) 3.384 17.901 ( 0.000 0.000 0.049) 0.049 17.942 ( 0.000 0.000 -0.389) 0.389 18.224 ( 0.000 0.000 7.002) 7.002 18.940 ( 0.000 0.000 -5.921) 5.921 19.281 ( 0.000 0.000 1.584) 1.584 19.505 ( 0.000 0.000 -1.944) 1.944 20.282 ( 0.000 0.000 2.519) 2.519 20.427 ( 0.000 0.000 1.051) 1.051 20.481 ( 0.000 0.000 -0.963) 0.963 20.500 ( 0.000 0.000 -0.160) 0.160 22.381 ( 0.000 0.000 1.511) 1.511 22.581 ( 0.000 0.000 -1.564) 1.564 ======================= Grid point 122 (38/144) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 14.228 0.000 25.209) 28.946 0.908 ( 16.722 0.000 26.437) 31.281 1.670 ( 31.968 0.000 46.099) 56.099 2.461 ( 10.462 0.000 0.343) 10.468 2.656 ( 6.435 0.000 -13.428) 14.890 3.929 ( -1.248 0.000 4.167) 4.350 4.342 ( -1.626 0.000 0.806) 1.814 4.792 ( 8.354 0.000 -6.866) 10.814 4.840 ( -2.531 0.000 -14.958) 15.171 5.206 ( -0.629 0.000 -10.078) 10.098 5.357 ( 9.098 0.000 0.889) 9.142 5.743 ( 6.902 0.000 10.350) 12.440 5.778 ( -1.627 0.000 -9.902) 10.035 6.377 ( -7.187 0.000 1.653) 7.375 6.610 ( 10.458 0.000 -4.682) 11.459 7.192 ( -6.632 0.000 -1.895) 6.897 7.273 ( -2.385 0.000 -1.484) 2.809 7.398 ( -3.226 0.000 -12.743) 13.145 7.564 ( 5.473 0.000 -3.127) 6.303 7.740 ( -9.385 0.000 4.368) 10.352 8.115 ( -2.625 0.000 15.643) 15.861 8.364 ( 6.721 0.000 -4.596) 8.142 8.636 ( -1.033 0.000 2.159) 2.394 8.713 ( -0.547 0.000 -3.524) 3.566 9.032 ( 0.283 0.000 -0.107) 0.302 9.123 ( 0.280 0.000 -2.204) 2.222 9.598 ( 3.424 0.000 5.356) 6.357 9.984 ( -17.817 0.000 7.402) 19.293 10.193 ( 1.827 0.000 0.762) 1.980 10.251 ( -15.773 0.000 13.473) 20.744 10.940 ( -16.289 0.000 7.395) 17.889 11.179 ( 5.839 0.000 0.969) 5.919 11.441 ( -8.270 0.000 -1.243) 8.363 11.546 ( 15.238 0.000 -3.397) 15.612 12.804 ( -6.651 0.000 7.940) 10.357 12.899 ( 2.708 0.000 5.918) 6.508 13.159 ( 3.942 0.000 -1.756) 4.316 13.416 ( 7.767 0.000 -3.590) 8.557 14.288 ( -7.063 0.000 6.305) 9.467 14.374 ( 1.905 0.000 1.027) 2.164 14.470 ( -9.028 0.000 9.584) 13.167 14.941 ( -7.279 0.000 0.733) 7.316 15.025 ( -0.512 0.000 4.269) 4.300 15.391 ( -13.448 0.000 -5.337) 14.468 16.746 ( -4.255 0.000 0.017) 4.255 16.816 ( -9.762 0.000 6.084) 11.503 17.231 ( -11.946 0.000 9.094) 15.014 17.650 ( -4.753 0.000 -1.585) 5.010 17.974 ( 0.650 0.000 4.288) 4.337 18.040 ( 8.196 0.000 1.041) 8.262 18.788 ( 14.384 0.000 -15.652) 21.258 18.806 ( -9.433 0.000 -4.496) 10.450 19.382 ( 6.777 0.000 0.802) 6.824 19.534 ( 0.444 0.000 -0.740) 0.863 20.346 ( 5.809 0.000 2.645) 6.383 20.402 ( -0.948 0.000 1.881) 2.106 20.516 ( 1.586 0.000 -0.210) 1.600 20.836 ( 18.216 0.000 -17.128) 25.003 22.343 ( -3.588 0.000 0.826) 3.682 22.458 ( -7.683 0.000 0.086) 7.684 ======================= Grid point 123 (39/144) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 27.168 0.000 0.837) 27.181 1.298 ( 20.299 0.000 14.802) 25.123 2.307 ( 28.419 0.000 32.821) 43.415 2.733 ( 15.026 0.000 -6.055) 16.200 2.757 ( 4.197 0.000 -11.994) 12.707 3.860 ( -5.306 0.000 -0.752) 5.359 4.324 ( -0.712 0.000 6.246) 6.286 4.823 ( 1.489 0.000 -8.915) 9.038 4.889 ( 1.744 0.000 -3.262) 3.699 5.151 ( -4.401 0.000 -6.076) 7.503 5.530 ( 7.152 0.000 6.253) 9.500 5.732 ( -1.198 0.000 -6.711) 6.817 5.952 ( 12.855 0.000 1.855) 12.988 6.189 ( -10.008 0.000 2.239) 10.256 6.850 ( 11.401 0.000 -6.854) 13.303 7.013 ( -10.004 0.000 -4.613) 11.017 7.224 ( -2.986 0.000 -4.452) 5.360 7.318 ( -4.174 0.000 -5.775) 7.126 7.541 ( -9.492 0.000 6.811) 11.683 7.673 ( 4.602 0.000 4.443) 6.397 8.102 ( 1.470 0.000 8.394) 8.522 8.469 ( 2.281 0.000 1.244) 2.598 8.631 ( 1.382 0.000 -6.725) 6.866 8.693 ( -1.064 0.000 -0.474) 1.165 9.045 ( 0.992 0.000 0.980) 1.395 9.117 ( -1.209 0.000 -3.815) 4.002 9.653 ( 1.158 0.000 2.130) 2.424 9.672 ( -10.002 0.000 13.915) 17.137 10.011 ( -9.483 0.000 7.680) 12.202 10.252 ( 3.858 0.000 -0.993) 3.984 10.710 ( -8.012 0.000 0.725) 8.045 11.096 ( -13.559 0.000 0.995) 13.595 11.502 ( 14.711 0.000 0.480) 14.719 11.902 ( 18.788 0.000 -4.424) 19.302 12.711 ( -3.184 0.000 6.563) 7.295 12.948 ( 1.585 0.000 4.711) 4.970 13.273 ( 7.102 0.000 -3.734) 8.024 13.540 ( 4.182 0.000 -4.579) 6.202 14.035 ( -12.604 0.000 12.151) 17.507 14.380 ( -3.986 0.000 1.829) 4.386 14.464 ( 2.312 0.000 1.153) 2.584 14.740 ( -11.108 0.000 0.551) 11.122 15.002 ( -2.043 0.000 1.287) 2.415 15.070 ( -15.290 0.000 -2.682) 15.524 16.634 ( -6.406 0.000 0.331) 6.415 16.675 ( -5.200 0.000 4.182) 6.673 17.078 ( -5.752 0.000 2.203) 6.159 17.519 ( -8.131 0.000 -2.826) 8.608 17.992 ( 1.179 0.000 3.779) 3.959 18.222 ( 8.412 0.000 1.091) 8.482 18.645 ( -5.115 0.000 -2.374) 5.639 18.961 ( 5.879 0.000 -8.555) 10.381 19.500 ( 4.636 0.000 0.442) 4.657 19.512 ( -2.213 0.000 1.524) 2.686 20.382 ( -0.876 0.000 1.893) 2.086 20.464 ( 3.719 0.000 1.927) 4.189 20.582 ( 5.853 0.000 1.014) 5.940 21.054 ( 4.943 0.000 -7.513) 8.993 22.251 ( -4.984 0.000 -0.881) 5.061 22.334 ( -4.804 0.000 -4.829) 6.812 ======================= Grid point 124 (40/144) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 18.664 0.000 6.436) 19.743 1.815 ( 24.958 0.000 -10.387) 27.033 2.675 ( 4.488 0.000 3.192) 5.507 2.936 ( 16.746 0.000 13.329) 21.403 2.995 ( 8.346 0.000 -16.738) 18.704 3.767 ( -2.046 0.000 2.557) 3.274 4.276 ( -4.087 0.000 12.678) 13.321 4.860 ( -5.197 0.000 -5.456) 7.535 4.911 ( 6.653 0.000 -8.154) 10.523 5.074 ( -1.802 0.000 -1.613) 2.418 5.638 ( 3.347 0.000 8.813) 9.427 5.744 ( 0.701 0.000 0.496) 0.858 6.034 ( -3.053 0.000 0.781) 3.151 6.198 ( 9.510 0.000 -3.118) 10.009 6.844 ( -4.990 0.000 -5.355) 7.320 7.024 ( 3.470 0.000 -5.823) 6.778 7.168 ( -0.084 0.000 -0.157) 0.178 7.228 ( -5.298 0.000 -2.442) 5.834 7.394 ( -3.714 0.000 10.061) 10.725 7.698 ( -3.541 0.000 3.502) 4.981 8.169 ( 5.219 0.000 -0.953) 5.306 8.460 ( -1.803 0.000 3.033) 3.528 8.678 ( 1.895 0.000 -9.768) 9.950 8.692 ( 1.274 0.000 6.037) 6.170 9.062 ( -4.140 0.000 -3.807) 5.624 9.064 ( 0.602 0.000 2.246) 2.325 9.557 ( -2.793 0.000 4.861) 5.607 9.636 ( -2.494 0.000 0.463) 2.536 9.880 ( -2.372 0.000 6.182) 6.622 10.323 ( 1.821 0.000 -3.775) 4.191 10.595 ( -3.366 0.000 0.718) 3.441 10.818 ( -11.912 0.000 1.432) 11.997 11.875 ( 20.899 0.000 1.536) 20.955 12.281 ( 18.151 0.000 -4.550) 18.713 12.668 ( -0.965 0.000 5.761) 5.842 12.951 ( -1.419 0.000 3.575) 3.847 13.431 ( 7.375 0.000 -7.510) 10.526 13.519 ( -8.295 0.000 -5.323) 9.856 13.871 ( -1.851 0.000 9.383) 9.563 14.105 ( -20.206 0.000 4.943) 20.802 14.496 ( 0.231 0.000 0.198) 0.304 14.567 ( -7.434 0.000 -0.303) 7.440 14.872 ( -3.558 0.000 -0.487) 3.591 14.943 ( -3.474 0.000 -1.350) 3.727 16.503 ( -6.063 0.000 1.435) 6.231 16.572 ( -5.305 0.000 3.705) 6.470 16.985 ( -3.067 0.000 0.014) 3.067 17.336 ( -9.360 0.000 -3.001) 9.829 18.023 ( 1.863 0.000 2.811) 3.373 18.299 ( -1.634 0.000 -1.292) 2.083 18.664 ( 7.217 0.000 1.525) 7.376 19.069 ( 4.735 0.000 -4.532) 6.555 19.457 ( -2.833 0.000 1.754) 3.332 19.565 ( 1.597 0.000 -0.287) 1.623 20.372 ( -0.013 0.000 1.483) 1.483 20.488 ( -0.469 0.000 0.391) 0.611 20.732 ( 7.721 0.000 3.341) 8.413 21.093 ( -0.315 0.000 -0.468) 0.564 22.160 ( -3.587 0.000 -2.892) 4.608 22.250 ( -3.757 0.000 -7.256) 8.171 ======================= Grid point 125 (41/144) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 15.050 0.000 -0.461) 15.057 2.235 ( 14.383 0.000 -16.415) 21.825 2.674 ( -0.511 0.000 -4.057) 4.089 3.001 ( -6.947 0.000 -20.751) 21.883 3.292 ( 16.768 0.000 20.637) 26.591 3.770 ( -1.752 0.000 10.135) 10.286 4.230 ( 3.107 0.000 9.991) 10.463 4.686 ( -11.269 0.000 -7.144) 13.343 5.046 ( 5.326 0.000 -6.045) 8.057 5.079 ( 1.372 0.000 0.022) 1.372 5.666 ( -0.066 0.000 5.686) 5.686 5.707 ( -3.041 0.000 3.236) 4.441 6.104 ( 7.600 0.000 0.722) 7.634 6.295 ( 0.503 0.000 -1.926) 1.991 6.842 ( 3.342 0.000 -2.762) 4.336 6.972 ( -4.882 0.000 -2.336) 5.412 7.132 ( -1.875 0.000 -2.251) 2.930 7.249 ( 4.383 0.000 0.907) 4.476 7.384 ( 1.150 0.000 8.750) 8.825 7.533 ( -10.941 0.000 0.685) 10.962 8.299 ( 6.696 0.000 -4.657) 8.156 8.432 ( -0.775 0.000 0.927) 1.208 8.688 ( -0.595 0.000 -6.236) 6.265 8.721 ( 0.146 0.000 8.946) 8.947 8.986 ( -1.759 0.000 -2.361) 2.945 9.058 ( -1.384 0.000 2.995) 3.299 9.519 ( -1.037 0.000 1.514) 1.835 9.572 ( -3.253 0.000 0.699) 3.327 9.926 ( 6.110 0.000 1.399) 6.268 10.269 ( -7.191 0.000 -5.419) 9.004 10.571 ( 0.853 0.000 1.965) 2.142 10.663 ( -3.655 0.000 2.657) 4.519 12.314 ( 21.474 0.000 0.300) 21.476 12.610 ( 11.636 0.000 -5.006) 12.667 12.693 ( 5.595 0.000 5.903) 8.133 12.890 ( -4.296 0.000 3.335) 5.439 13.257 ( -14.902 0.000 -0.527) 14.912 13.420 ( -12.989 0.000 -5.336) 14.042 13.841 ( 0.146 0.000 1.282) 1.290 13.901 ( 2.523 0.000 1.294) 2.836 14.416 ( -6.138 0.000 0.393) 6.151 14.453 ( -4.397 0.000 -1.077) 4.527 14.863 ( 0.882 0.000 0.468) 0.999 14.887 ( -1.544 0.000 -0.714) 1.702 16.407 ( -3.015 0.000 2.689) 4.040 16.463 ( -4.977 0.000 3.921) 6.336 16.965 ( 1.160 0.000 -1.364) 1.791 17.158 ( -7.812 0.000 -2.738) 8.278 18.069 ( 2.706 0.000 1.662) 3.175 18.222 ( -4.598 0.000 -0.857) 4.677 18.856 ( 10.054 0.000 2.593) 10.384 19.124 ( -0.454 0.000 0.039) 0.456 19.426 ( 0.773 0.000 -0.504) 0.923 19.559 ( -2.161 0.000 -1.157) 2.451 20.384 ( 1.229 0.000 0.731) 1.430 20.461 ( -1.909 0.000 -0.040) 1.909 20.874 ( 6.192 0.000 4.251) 7.511 21.059 ( -2.817 0.000 2.712) 3.911 22.115 ( -0.722 0.000 -4.686) 4.741 22.179 ( -3.127 0.000 -7.213) 7.862 ======================= Grid point 126 (42/144) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( -5.635 0.000 -8.393) 10.110 2.287 ( 5.635 0.000 -8.393) 10.110 2.795 ( -11.226 0.000 -13.859) 17.836 2.795 ( 11.226 0.000 -13.859) 17.836 3.602 ( -13.165 0.000 18.418) 22.639 3.602 ( 13.165 0.000 18.418) 22.639 4.427 ( -13.178 0.000 -1.671) 13.283 4.427 ( 13.178 0.000 -1.671) 13.283 5.099 ( -0.003 0.000 -2.475) 2.475 5.099 ( 0.003 0.000 -2.475) 2.475 5.667 ( -0.652 0.000 2.864) 2.937 5.667 ( 0.652 0.000 2.864) 2.937 6.247 ( -3.974 0.000 0.631) 4.024 6.247 ( 3.974 0.000 0.631) 4.024 6.895 ( -0.847 0.000 0.546) 1.007 6.895 ( 0.847 0.000 0.546) 1.007 7.215 ( -6.057 0.000 -5.809) 8.392 7.215 ( 6.057 0.000 -5.809) 8.392 7.398 ( -0.169 0.000 7.064) 7.066 7.398 ( 0.169 0.000 7.064) 7.066 8.405 ( -1.744 0.000 -3.851) 4.227 8.405 ( 1.744 0.000 -3.851) 4.227 8.689 ( -0.185 0.000 2.205) 2.213 8.689 ( 0.185 0.000 2.205) 2.213 9.010 ( -1.267 0.000 2.019) 2.384 9.010 ( 1.267 0.000 2.019) 2.384 9.522 ( -0.916 0.000 1.203) 1.512 9.522 ( 0.916 0.000 1.203) 1.512 10.089 ( -6.338 0.000 -3.174) 7.088 10.089 ( 6.338 0.000 -3.174) 7.088 10.610 ( -1.336 0.000 2.459) 2.798 10.610 ( 1.336 0.000 2.459) 2.798 12.665 ( -4.519 0.000 -3.438) 5.678 12.665 ( 4.519 0.000 -3.438) 5.678 12.819 ( -0.038 0.000 5.488) 5.488 12.819 ( 0.038 0.000 5.488) 5.488 13.121 ( -8.961 0.000 0.131) 8.962 13.121 ( 8.961 0.000 0.131) 8.962 13.914 ( -1.068 0.000 -3.788) 3.936 13.914 ( 1.068 0.000 -3.788) 3.936 14.367 ( -0.421 0.000 0.289) 0.511 14.367 ( 0.421 0.000 0.289) 0.511 14.875 ( -0.022 0.000 0.501) 0.502 14.875 ( 0.022 0.000 0.501) 0.502 16.392 ( -0.622 0.000 3.573) 3.627 16.392 ( 0.622 0.000 3.573) 3.627 17.028 ( -4.693 0.000 -2.200) 5.183 17.028 ( 4.693 0.000 -2.200) 5.183 18.135 ( -2.988 0.000 0.408) 3.016 18.135 ( 2.988 0.000 0.408) 3.016 19.038 ( -7.044 0.000 2.534) 7.486 19.038 ( 7.044 0.000 2.534) 7.486 19.488 ( -4.233 0.000 -1.771) 4.588 19.488 ( 4.233 0.000 -1.771) 4.588 20.419 ( -2.068 0.000 0.092) 2.070 20.419 ( 2.068 0.000 0.092) 2.070 20.983 ( -4.185 0.000 4.074) 5.840 20.983 ( 4.185 0.000 4.074) 5.840 22.128 ( -1.449 0.000 -6.152) 6.320 22.128 ( 1.449 0.000 -6.152) 6.320 ======================= Grid point 132 (43/144) ======================= q-point: ( 0.00 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 15.840 29.501) 33.484 1.044 ( 0.000 22.855 29.327) 37.181 1.750 ( 0.000 49.116 36.983) 61.483 2.399 ( 0.000 4.311 1.028) 4.431 2.720 ( 0.000 17.403 -5.465) 18.241 4.015 ( 0.000 4.239 3.414) 5.443 4.405 ( 0.000 2.790 -3.536) 4.504 4.573 ( 0.000 -10.801 -13.869) 17.578 4.737 ( 0.000 -5.540 -8.042) 9.765 5.227 ( 0.000 -2.191 -5.360) 5.790 5.276 ( 0.000 3.234 1.498) 3.564 5.556 ( 0.000 -8.027 6.812) 10.528 5.862 ( 0.000 5.731 -2.499) 6.252 6.429 ( 0.000 -5.685 0.465) 5.704 6.540 ( 0.000 8.426 -0.434) 8.437 7.109 ( 0.000 -9.294 1.230) 9.375 7.177 ( 0.000 -12.030 -4.162) 12.730 7.423 ( 0.000 4.708 1.248) 4.870 7.711 ( 0.000 6.916 -17.098) 18.444 7.865 ( 0.000 0.058 2.056) 2.057 7.976 ( 0.000 -31.890 10.298) 33.511 8.178 ( 0.000 2.571 11.610) 11.891 8.234 ( 0.000 -5.555 -6.486) 8.540 8.859 ( 0.000 -5.430 9.731) 11.143 9.035 ( 0.000 -6.187 -0.160) 6.189 9.166 ( 0.000 8.563 -7.913) 11.659 9.672 ( 0.000 9.736 6.417) 11.661 10.028 ( 0.000 -13.356 8.072) 15.606 10.199 ( 0.000 2.226 1.573) 2.725 10.372 ( 0.000 0.627 6.487) 6.518 10.945 ( 0.000 -4.251 -3.069) 5.243 11.237 ( 0.000 -9.077 -2.044) 9.304 11.369 ( 0.000 1.753 2.503) 3.056 11.588 ( 0.000 2.861 -1.952) 3.463 12.772 ( 0.000 -0.109 5.964) 5.965 13.096 ( 0.000 -2.444 -0.690) 2.540 13.291 ( 0.000 3.571 0.117) 3.573 13.442 ( 0.000 19.390 -18.129) 26.545 14.168 ( 0.000 -13.017 1.526) 13.106 14.297 ( 0.000 -3.479 1.235) 3.691 14.646 ( 0.000 -3.831 5.836) 6.981 14.956 ( 0.000 -4.605 10.609) 11.566 15.209 ( 0.000 13.086 0.614) 13.100 15.514 ( 0.000 -3.281 -7.545) 8.228 16.720 ( 0.000 -2.373 1.006) 2.577 16.885 ( 0.000 -6.937 -2.224) 7.284 17.766 ( 0.000 4.094 -0.406) 4.114 17.790 ( 0.000 0.128 -0.506) 0.522 17.943 ( 0.000 5.132 0.740) 5.185 18.009 ( 0.000 2.469 5.642) 6.159 18.662 ( 0.000 21.658 -23.603) 32.034 18.943 ( 0.000 0.031 -6.071) 6.071 19.319 ( 0.000 3.751 -2.400) 4.453 19.481 ( 0.000 -2.291 -1.670) 2.836 20.203 ( 0.000 -10.428 9.357) 14.011 20.272 ( 0.000 0.261 1.566) 1.587 20.478 ( 0.000 3.942 1.706) 4.295 20.832 ( 0.000 14.221 -13.516) 19.619 22.320 ( 0.000 -17.309 13.556) 21.986 22.337 ( 0.000 -4.498 1.413) 4.714 ======================= Grid point 133 (44/144) ======================= q-point: ( 0.10 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 12.562 17.818 18.137) 28.359 1.289 ( 16.253 24.687 21.667) 36.647 1.981 ( 20.561 34.750 34.612) 53.182 2.492 ( 8.885 3.334 -0.893) 9.532 2.800 ( 5.916 14.564 -8.882) 18.056 3.959 ( -4.323 1.915 2.016) 5.140 4.330 ( -2.625 -1.852 0.241) 3.222 4.732 ( 5.275 -8.956 -11.803) 15.727 4.780 ( 4.972 -2.218 -5.668) 7.859 5.189 ( -1.067 -1.366 -6.981) 7.192 5.337 ( 4.213 -3.042 3.827) 6.453 5.620 ( 4.837 -6.509 2.160) 8.392 5.835 ( -1.235 2.786 -1.530) 3.410 6.356 ( -6.427 -2.337 -0.147) 6.840 6.647 ( 8.337 4.171 -3.277) 9.881 7.063 ( -1.894 -8.842 -4.659) 10.172 7.165 ( -3.145 -5.297 -2.352) 6.594 7.477 ( 3.352 -1.674 3.176) 4.912 7.683 ( -2.120 9.252 -15.487) 18.164 7.755 ( -8.741 0.848 2.770) 9.209 7.973 ( 0.447 -20.209 11.734) 23.373 8.242 ( 5.418 -7.505 7.768) 12.084 8.321 ( 6.427 -6.568 -6.432) 11.217 8.825 ( -3.201 -2.592 8.978) 9.878 8.975 ( -3.956 -6.018 -0.277) 7.207 9.195 ( 1.394 6.088 -5.031) 8.020 9.653 ( -2.394 4.972 4.316) 7.006 9.940 ( -6.532 -3.234 9.733) 12.160 10.213 ( 0.847 2.167 0.629) 2.410 10.272 ( -8.013 3.937 7.144) 11.435 10.845 ( -8.008 -4.248 -0.834) 9.104 11.266 ( 0.067 -2.825 -1.889) 3.399 11.370 ( -1.043 -0.352 1.195) 1.624 11.624 ( 8.845 4.723 -2.473) 10.327 12.746 ( -2.423 -0.435 5.911) 6.404 13.120 ( 0.897 0.683 -1.959) 2.260 13.186 ( -2.846 9.401 -0.602) 9.841 13.519 ( 4.158 10.314 -7.844) 13.609 14.155 ( -2.592 -11.976 4.055) 12.907 14.311 ( 0.558 -4.327 2.515) 5.036 14.497 ( -7.820 2.865 7.038) 10.904 14.959 ( -0.198 -2.286 5.037) 5.535 15.158 ( -6.062 12.932 1.192) 14.332 15.375 ( -12.242 -1.822 -5.104) 13.388 16.681 ( -3.346 -1.819 0.268) 3.818 16.872 ( -1.921 -2.183 -1.793) 3.416 17.366 ( -22.547 13.185 6.996) 27.040 17.714 ( -6.692 6.062 -1.587) 9.168 17.975 ( 3.540 0.068 3.037) 4.664 18.054 ( 5.931 1.458 2.308) 6.529 18.729 ( -2.038 -0.863 -8.779) 9.053 18.947 ( 0.651 7.589 -10.375) 12.871 19.383 ( 6.034 -0.022 0.572) 6.061 19.533 ( 1.650 -0.129 -1.606) 2.307 20.193 ( 2.316 -10.732 3.548) 11.538 20.434 ( 5.730 -3.127 -0.065) 6.528 20.497 ( 3.444 4.627 2.431) 6.259 20.949 ( 8.773 7.731 -14.099) 18.317 22.202 ( -6.041 -12.214 6.110) 14.933 22.386 ( -0.127 -5.715 1.285) 5.859 ======================= Grid point 134 (45/144) ======================= q-point: ( 0.20 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 22.528 12.284 3.360) 25.879 1.641 ( 18.386 26.228 11.799) 34.135 2.452 ( 22.609 16.983 26.174) 38.531 2.715 ( 11.366 1.527 -7.414) 13.655 2.930 ( 7.629 14.028 -8.251) 17.974 3.858 ( -5.403 -0.206 -0.421) 5.423 4.298 ( -1.571 -2.607 6.475) 7.155 4.778 ( 2.571 -4.560 -7.159) 8.868 4.882 ( 3.341 -0.850 -2.763) 4.418 5.143 ( -3.946 -0.958 -6.038) 7.277 5.455 ( 6.451 -8.263 6.322) 12.242 5.666 ( 0.692 -3.727 0.077) 3.792 5.926 ( 9.840 -1.881 -1.472) 10.126 6.196 ( -8.409 0.364 -0.329) 8.423 6.792 ( 3.980 -3.780 -2.486) 6.026 7.045 ( -0.821 -5.006 -9.972) 11.188 7.081 ( -2.787 1.027 -3.941) 4.935 7.467 ( -4.046 -1.339 3.768) 5.688 7.550 ( -9.886 2.752 0.373) 10.269 7.676 ( -0.097 2.271 -2.054) 3.063 8.031 ( 5.492 -8.417 7.831) 12.741 8.336 ( 2.871 -10.457 3.679) 11.451 8.451 ( 5.596 -9.373 -5.811) 12.366 8.755 ( -2.700 1.040 5.010) 5.786 8.920 ( -1.174 -9.617 2.856) 10.100 9.196 ( -1.523 5.326 -2.593) 6.117 9.578 ( -4.014 0.551 1.024) 4.179 9.827 ( -4.770 4.985 5.686) 8.941 10.058 ( -10.075 4.146 5.348) 12.136 10.281 ( 3.796 2.918 0.742) 4.845 10.681 ( -7.318 -2.534 -0.796) 7.785 11.097 ( -13.078 -0.673 0.452) 13.104 11.518 ( 14.523 1.251 0.423) 14.583 11.923 ( 17.659 2.023 -3.025) 18.030 12.690 ( -2.585 -0.503 5.000) 5.651 13.101 ( -0.891 10.653 0.727) 10.715 13.246 ( 5.372 -2.552 -2.486) 6.446 13.590 ( 2.689 5.784 -5.982) 8.745 14.032 ( -7.928 -1.255 10.260) 13.027 14.300 ( -1.814 -8.050 1.840) 8.455 14.432 ( -2.177 2.360 1.363) 3.489 14.910 ( -8.339 9.408 2.009) 12.731 14.952 ( -9.458 -2.649 -1.945) 10.013 15.137 ( -8.625 6.103 0.374) 10.573 16.596 ( -4.972 -1.387 -0.165) 5.164 16.789 ( -6.247 7.119 0.314) 9.476 17.058 ( -8.872 0.137 4.673) 10.028 17.558 ( -8.900 3.651 -2.982) 10.072 18.014 ( 1.468 2.084 3.680) 4.476 18.230 ( 9.180 0.524 1.104) 9.261 18.635 ( -4.468 -0.468 -3.608) 5.762 18.992 ( 3.535 2.616 -6.788) 8.088 19.479 ( 1.812 -1.316 1.443) 2.664 19.541 ( 0.682 2.063 0.322) 2.197 20.254 ( 2.682 -10.538 1.958) 11.049 20.473 ( 0.550 -0.752 0.785) 1.219 20.616 ( 6.643 3.459 1.777) 7.697 21.081 ( 3.634 2.538 -6.654) 7.995 22.098 ( -4.164 -11.501 0.119) 12.232 22.341 ( -3.722 -2.411 -3.111) 5.417 ======================= Grid point 135 (46/144) ======================= q-point: ( 0.30 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 18.816 9.307 -0.451) 20.996 2.036 ( 20.176 21.572 -0.467) 29.540 2.735 ( 3.356 5.444 -0.008) 6.395 2.977 ( 15.916 5.502 5.825) 17.819 3.109 ( 7.796 11.464 -7.842) 15.928 3.770 ( -2.159 0.367 2.271) 3.155 4.240 ( -3.749 -3.226 10.969) 12.033 4.858 ( -1.377 -2.590 -7.475) 8.030 4.895 ( 2.892 0.593 -4.113) 5.063 5.071 ( -1.328 -0.542 -1.358) 1.975 5.572 ( 4.871 -7.145 7.097) 11.187 5.719 ( 3.611 -1.993 4.691) 6.246 6.026 ( -3.011 0.476 -0.380) 3.072 6.163 ( 7.942 -3.526 -4.948) 9.999 6.778 ( -3.191 -5.634 -2.882) 7.087 7.033 ( 0.042 -1.348 -3.202) 3.475 7.091 ( 2.104 -0.910 -5.178) 5.662 7.325 ( -8.956 2.198 -1.252) 9.306 7.414 ( -2.941 2.079 8.641) 9.362 7.645 ( -3.525 -4.674 0.212) 5.858 8.166 ( 6.781 -1.307 1.186) 7.007 8.355 ( -0.271 -9.499 2.658) 9.868 8.522 ( 1.366 -9.595 -3.999) 10.485 8.736 ( 0.517 0.197 3.169) 3.217 8.927 ( 1.553 -11.166 3.522) 11.811 9.132 ( -4.634 4.720 -1.467) 6.775 9.515 ( -2.178 0.025 -1.158) 2.467 9.722 ( -5.746 3.387 1.693) 6.881 9.907 ( -3.649 1.835 3.920) 5.661 10.344 ( 0.872 1.975 -2.433) 3.253 10.566 ( -3.381 -2.347 0.704) 4.175 10.846 ( -10.267 2.280 1.813) 10.673 11.884 ( 20.510 0.672 1.449) 20.572 12.283 ( 17.043 0.150 -2.948) 17.297 12.655 ( -0.529 0.173 3.276) 3.323 13.076 ( -2.051 10.080 1.634) 10.415 13.323 ( -0.279 -7.287 -5.154) 8.930 13.628 ( 1.734 7.855 -6.933) 10.620 13.899 ( -5.444 3.160 8.139) 10.289 14.128 ( -15.322 0.873 5.007) 16.143 14.348 ( -3.325 -5.686 -0.302) 6.594 14.748 ( -5.590 6.793 0.524) 8.813 14.840 ( -2.432 1.398 -0.805) 2.919 15.017 ( -4.026 5.934 -0.028) 7.171 16.485 ( -5.667 -1.147 0.242) 5.787 16.636 ( -8.130 5.980 3.709) 10.752 16.957 ( -1.924 -2.586 0.473) 3.258 17.365 ( -9.620 2.894 -3.087) 10.510 18.048 ( 1.957 2.431 2.576) 4.047 18.331 ( -0.757 2.975 -1.203) 3.297 18.645 ( 6.787 -1.711 0.784) 7.043 19.075 ( 4.131 0.516 -3.408) 5.380 19.454 ( -2.503 -0.455 1.391) 2.899 19.574 ( 1.065 1.090 0.117) 1.528 20.294 ( 1.609 -7.637 1.410) 7.931 20.469 ( -0.998 -1.780 0.505) 2.102 20.755 ( 6.872 2.274 2.745) 7.742 21.108 ( -0.583 1.473 -0.531) 1.670 22.036 ( -1.826 -10.010 -3.282) 10.692 22.252 ( -4.743 -2.036 -5.381) 7.456 ======================= Grid point 136 (47/144) ======================= q-point: ( 0.40 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 13.564 8.493 -2.954) 16.274 2.396 ( 12.015 15.614 -11.448) 22.786 2.736 ( 0.833 5.174 -2.872) 5.976 3.097 ( -5.682 9.760 -15.029) 18.800 3.329 ( 14.738 4.847 15.426) 21.878 3.759 ( -2.242 -0.647 7.988) 8.322 4.217 ( 4.174 -1.238 7.923) 9.040 4.681 ( -11.823 -0.924 -6.543) 13.544 5.010 ( 4.244 -2.305 -4.753) 6.776 5.094 ( 2.750 0.628 0.033) 2.820 5.642 ( 2.133 -2.698 5.906) 6.834 5.728 ( -2.484 1.913 4.565) 5.538 6.077 ( 7.272 -2.145 0.013) 7.582 6.268 ( 1.749 -3.026 -2.852) 4.511 6.750 ( 0.843 -6.937 -3.772) 7.941 6.994 ( -5.755 -0.338 -0.317) 5.774 7.115 ( 1.548 -0.569 -3.687) 4.039 7.253 ( 3.484 -0.614 4.106) 5.420 7.365 ( -3.135 -1.560 6.094) 7.028 7.528 ( -7.439 -0.437 -0.297) 7.457 8.276 ( 3.894 -2.345 -3.797) 5.923 8.365 ( 1.325 -6.771 1.012) 6.973 8.524 ( -0.622 -11.563 -2.136) 11.775 8.754 ( 0.855 -1.049 5.705) 5.863 8.950 ( -0.361 -7.214 1.953) 7.483 9.035 ( -3.461 0.756 -0.349) 3.560 9.492 ( 0.077 -0.039 -0.226) 0.242 9.608 ( -5.115 1.374 1.059) 5.401 9.914 ( 3.620 -1.560 -1.538) 4.231 10.270 ( -6.936 0.223 -3.267) 7.670 10.562 ( 2.022 -0.423 2.010) 2.883 10.707 ( -3.885 3.514 3.273) 6.177 12.310 ( 20.356 -0.452 1.596) 20.423 12.586 ( 11.644 -2.562 -1.678) 12.040 12.683 ( 3.734 1.863 0.396) 4.192 13.013 ( -4.115 8.561 0.916) 9.542 13.200 ( -9.352 -3.265 -1.635) 10.040 13.507 ( -17.756 6.725 -1.482) 19.045 13.833 ( 4.736 1.456 -1.999) 5.343 13.984 ( -0.245 6.502 2.929) 7.136 14.299 ( -1.096 -5.511 -0.375) 5.631 14.587 ( -9.216 6.362 0.318) 11.203 14.867 ( 2.813 2.575 0.663) 3.871 14.957 ( -2.059 5.372 -0.243) 5.758 16.385 ( -3.626 -1.559 1.129) 4.105 16.485 ( -6.096 1.911 4.745) 7.958 16.963 ( 2.265 -0.119 -1.366) 2.648 17.183 ( -8.050 2.449 -2.688) 8.834 18.095 ( 2.665 2.569 1.119) 3.867 18.263 ( -4.341 3.929 -0.556) 5.881 18.837 ( 10.224 -1.901 2.173) 10.624 19.121 ( -0.891 -0.508 0.746) 1.268 19.426 ( 0.873 0.024 -0.656) 1.092 19.562 ( -2.303 0.449 -0.664) 2.438 20.330 ( 2.092 -5.461 0.736) 5.894 20.433 ( -2.393 -2.764 0.114) 3.658 20.885 ( 5.786 1.163 3.444) 6.833 21.070 ( -2.876 1.167 2.475) 3.970 22.027 ( 0.993 -7.807 -4.912) 9.277 22.157 ( -4.507 -3.337 -5.951) 8.177 ======================= Grid point 137 (48/144) ======================= q-point: (-0.50 0.10 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 0.000 7.980 -9.082) 12.090 2.435 ( -0.000 8.884 -6.609) 11.072 2.890 ( -0.000 9.668 -12.125) 15.507 2.908 ( 0.000 11.511 -7.244) 13.601 3.592 ( -0.000 -0.232 15.575) 15.577 3.618 ( 0.000 2.527 13.078) 13.320 4.401 ( 0.000 -1.611 -2.081) 2.632 4.435 ( -0.000 -0.477 -2.002) 2.058 5.049 ( -0.000 -2.568 -3.238) 4.133 5.133 ( 0.000 1.055 -0.761) 1.301 5.675 ( 0.000 0.102 3.458) 3.460 5.682 ( -0.000 1.864 4.400) 4.779 6.189 ( 0.000 -3.730 -1.462) 4.006 6.264 ( 0.000 -0.552 1.428) 1.531 6.783 ( 0.000 -7.460 -4.016) 8.472 6.888 ( 0.000 -3.309 1.347) 3.572 7.185 ( 0.000 -0.074 -4.959) 4.960 7.271 ( 0.000 -0.618 2.960) 3.024 7.377 ( 0.000 2.101 0.803) 2.249 7.387 ( -0.000 -2.444 7.575) 7.959 8.329 ( 0.000 -4.759 -4.696) 6.686 8.371 ( 0.000 -5.482 -2.977) 6.238 8.517 ( 0.000 -12.131 -0.244) 12.134 8.762 ( 0.000 0.139 8.650) 8.651 8.927 ( 0.000 -4.539 -2.002) 4.961 9.012 ( 0.000 -2.978 2.453) 3.858 9.516 ( 0.000 0.654 0.574) 0.870 9.531 ( -0.000 0.193 1.317) 1.331 9.985 ( 0.000 -5.684 -7.022) 9.034 10.163 ( 0.000 2.822 0.061) 2.823 10.597 ( 0.000 0.041 2.136) 2.137 10.663 ( 0.000 3.386 3.598) 4.941 12.593 ( 0.000 -1.619 -1.238) 2.038 12.682 ( -0.000 -3.193 1.168) 3.400 12.816 ( 0.000 2.248 -0.390) 2.282 12.868 ( -0.000 1.241 0.784) 1.468 13.167 ( -0.000 7.036 0.558) 7.059 13.192 ( 0.000 5.182 1.036) 5.284 13.915 ( 0.000 1.994 -5.269) 5.634 13.984 ( 0.000 4.484 -1.244) 4.654 14.318 ( -0.000 0.224 -2.445) 2.455 14.448 ( 0.000 3.132 3.779) 4.908 14.911 ( -0.000 4.722 0.221) 4.727 14.927 ( 0.000 4.089 0.811) 4.169 16.349 ( 0.000 -2.318 1.567) 2.798 16.417 ( 0.000 0.863 4.788) 4.866 17.033 ( -0.000 1.329 -2.662) 2.975 17.054 ( 0.000 1.813 -1.635) 2.442 18.140 ( -0.000 1.955 -1.006) 2.199 18.198 ( 0.000 4.820 1.601) 5.079 19.009 ( 0.000 -1.792 1.712) 2.478 19.041 ( -0.000 -0.951 3.286) 3.421 19.485 ( -0.000 -0.265 -1.521) 1.544 19.494 ( 0.000 0.743 -1.288) 1.487 20.379 ( 0.000 -3.978 0.172) 3.981 20.380 ( 0.000 -3.920 0.166) 3.923 20.975 ( 0.000 0.232 2.661) 2.671 21.009 ( -0.000 1.651 4.371) 4.673 22.064 ( 0.000 -5.831 -6.264) 8.558 22.084 ( -0.000 -5.018 -5.110) 7.162 ======================= Grid point 143 (49/144) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.000 19.990 18.201) 27.035 1.513 ( 0.000 25.401 19.247) 31.869 2.478 ( 0.000 4.151 -1.029) 4.277 2.782 ( 0.000 52.925 18.664) 56.119 3.123 ( 0.000 21.572 -7.072) 22.702 4.072 ( 0.000 2.561 7.369) 7.802 4.282 ( 0.000 -14.639 -15.412) 21.256 4.462 ( 0.000 3.844 -5.378) 6.610 4.721 ( 0.000 0.414 0.403) 0.578 5.060 ( 0.000 -12.923 8.957) 15.723 5.348 ( 0.000 4.255 1.015) 4.374 5.442 ( 0.000 -4.542 -4.458) 6.364 5.960 ( 0.000 4.133 -1.456) 4.382 6.324 ( 0.000 -4.924 -2.572) 5.555 6.719 ( 0.000 9.095 -3.720) 9.826 6.940 ( 0.000 -7.952 1.303) 8.058 6.947 ( 0.000 -13.847 -1.247) 13.903 7.434 ( 0.000 -20.795 6.178) 21.693 7.470 ( 0.000 0.314 2.220) 2.242 7.783 ( 0.000 -2.765 -19.496) 19.691 7.840 ( 0.000 -2.748 2.041) 3.423 8.109 ( 0.000 -7.411 0.741) 7.448 8.274 ( 0.000 6.925 5.842) 9.060 8.691 ( 0.000 -10.327 9.448) 13.997 8.947 ( 0.000 -2.272 -0.857) 2.429 9.271 ( 0.000 3.552 -1.756) 3.963 9.847 ( 0.000 6.751 5.103) 8.463 9.854 ( 0.000 -5.310 4.111) 6.716 10.260 ( 0.000 4.684 2.533) 5.325 10.458 ( 0.000 5.255 2.454) 5.799 10.889 ( 0.000 -2.359 -8.517) 8.838 11.029 ( 0.000 -11.941 -1.727) 12.065 11.394 ( 0.000 1.136 3.710) 3.880 11.625 ( 0.000 0.768 -2.754) 2.859 12.776 ( 0.000 -0.306 4.689) 4.699 13.022 ( 0.000 -5.431 -0.099) 5.432 13.397 ( 0.000 7.238 0.169) 7.240 13.659 ( 0.000 5.723 -10.316) 11.797 13.903 ( 0.000 -12.308 3.775) 12.874 14.258 ( 0.000 -0.661 -2.463) 2.550 14.615 ( 0.000 -0.050 5.427) 5.428 14.889 ( 0.000 -2.723 11.821) 12.131 15.406 ( 0.000 6.516 -0.558) 6.540 15.420 ( 0.000 -5.921 -6.080) 8.487 16.712 ( 0.000 0.787 -1.296) 1.516 16.773 ( 0.000 -3.691 -1.782) 4.098 17.821 ( 0.000 2.227 -0.864) 2.389 17.822 ( 0.000 2.985 -0.884) 3.113 18.056 ( 0.000 2.341 6.954) 7.337 18.083 ( 0.000 8.030 1.774) 8.224 18.880 ( 0.000 4.307 -14.405) 15.035 18.920 ( 0.000 -2.868 -5.918) 6.576 19.398 ( 0.000 3.782 -7.252) 8.179 19.436 ( 0.000 -1.864 -1.212) 2.223 20.067 ( 0.000 -4.369 8.483) 9.542 20.316 ( 0.000 4.086 -1.381) 4.313 20.549 ( 0.000 3.537 3.519) 4.989 21.036 ( 0.000 8.094 -12.864) 15.198 22.046 ( 0.000 -11.975 13.596) 18.117 22.217 ( 0.000 -7.785 1.256) 7.886 ======================= Grid point 144 (50/144) ======================= q-point: ( 0.10 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 10.567 21.665 10.730) 26.385 1.692 ( 15.199 19.550 19.693) 31.639 2.560 ( 7.594 3.525 -3.010) 8.897 2.845 ( 5.997 47.807 16.059) 50.788 3.157 ( 3.254 20.081 -6.844) 21.464 3.978 ( -6.836 0.195 0.654) 6.870 4.264 ( -0.485 -4.154 -0.849) 4.267 4.553 ( 5.420 -6.152 -5.106) 9.659 4.772 ( 4.352 0.404 0.359) 4.386 5.079 ( 2.265 -10.346 5.167) 11.784 5.294 ( -3.213 -0.278 -0.247) 3.235 5.541 ( 7.051 -2.176 -3.526) 8.178 5.896 ( -4.498 3.416 -0.063) 5.648 6.290 ( -3.491 -4.028 -5.026) 7.326 6.742 ( 0.927 3.791 -3.580) 5.296 6.915 ( 0.513 -7.564 -3.700) 8.436 7.033 ( 4.639 -7.484 1.542) 8.939 7.370 ( -3.078 -10.975 2.585) 11.688 7.570 ( 6.946 -12.470 3.596) 14.720 7.732 ( -5.773 -3.466 -6.026) 9.036 7.803 ( -1.904 0.975 -7.310) 7.617 8.159 ( 3.587 -7.966 2.002) 8.963 8.271 ( 0.370 3.702 5.125) 6.333 8.687 ( -0.341 -9.138 9.038) 12.857 8.897 ( -4.237 -1.739 -0.383) 4.596 9.288 ( 0.937 3.606 -1.381) 3.973 9.739 ( -6.041 2.770 0.672) 6.680 9.896 ( -0.314 -1.682 5.318) 5.587 10.276 ( 0.934 4.717 1.377) 5.002 10.374 ( -7.065 5.334 3.891) 9.670 10.780 ( -7.365 -2.861 -4.834) 9.263 11.108 ( 3.184 -10.101 -3.780) 11.245 11.406 ( 0.933 1.888 2.679) 3.407 11.692 ( 8.662 2.184 -1.451) 9.050 12.747 ( -2.489 -0.148 4.009) 4.721 13.050 ( 2.614 -5.872 -0.801) 6.477 13.349 ( -2.739 7.667 -1.202) 8.230 13.710 ( 2.895 7.374 -6.972) 10.553 13.918 ( 1.596 -10.248 4.058) 11.137 14.256 ( -0.465 -1.735 -0.043) 1.797 14.554 ( -4.211 3.184 5.266) 7.456 14.911 ( 1.626 -2.388 6.384) 7.007 15.279 ( -12.167 -3.095 -3.757) 13.104 15.397 ( -2.796 5.758 -0.161) 6.403 16.669 ( -3.493 0.065 -1.866) 3.961 16.797 ( 1.656 -3.274 -1.171) 3.851 17.590 ( -16.876 8.892 1.060) 19.105 17.862 ( -12.090 8.549 -0.513) 14.816 17.985 ( 5.964 1.441 1.707) 6.369 18.091 ( 3.134 2.289 3.598) 5.292 18.733 ( -5.282 0.496 -6.894) 8.699 19.046 ( 0.364 2.237 -8.627) 8.920 19.375 ( 4.412 -0.878 0.078) 4.499 19.528 ( 3.177 -0.497 -2.764) 4.240 20.020 ( -1.428 -6.150 4.489) 7.746 20.414 ( 4.673 0.533 -0.970) 4.802 20.584 ( 4.053 4.652 3.393) 7.041 21.080 ( 3.532 6.084 -11.040) 13.091 21.974 ( -5.190 -10.858 8.817) 14.919 22.248 ( 1.244 -8.668 1.001) 8.814 ======================= Grid point 145 (51/144) ======================= q-point: ( 0.20 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( 17.147 18.185 2.888) 25.160 2.044 ( 18.296 15.227 16.524) 28.976 2.744 ( 8.813 2.826 -8.486) 12.557 3.002 ( 8.779 32.993 8.372) 35.152 3.255 ( 6.499 18.882 -3.762) 20.321 3.859 ( -4.447 1.188 0.626) 4.645 4.241 ( -2.343 -2.544 5.507) 6.503 4.657 ( 5.570 -6.670 -2.654) 9.086 4.880 ( 5.550 0.838 0.792) 5.669 5.094 ( -2.379 -5.238 -3.080) 6.525 5.283 ( 3.227 -6.943 6.438) 10.003 5.641 ( 1.874 0.582 -0.598) 2.051 5.892 ( 6.051 -1.458 -2.172) 6.592 6.189 ( -6.050 -1.208 -4.633) 7.716 6.722 ( -2.605 -4.268 -3.226) 5.950 6.949 ( 1.903 -4.051 -2.925) 5.346 7.095 ( 1.465 -1.322 -4.078) 4.530 7.325 ( -1.793 -10.316 2.071) 10.673 7.563 ( -7.081 -1.853 -2.122) 7.621 7.706 ( -3.652 -1.690 -4.393) 5.957 7.800 ( 8.065 -10.274 2.824) 13.363 8.208 ( 0.860 -7.586 3.479) 8.390 8.320 ( 4.416 -3.235 3.270) 6.376 8.684 ( 0.182 -6.613 8.548) 10.809 8.801 ( -4.817 -1.962 -0.771) 5.258 9.281 ( -2.084 2.956 -0.407) 3.639 9.626 ( -4.680 3.209 -3.577) 6.708 9.843 ( -4.446 -2.614 3.638) 6.311 10.139 ( -11.693 4.230 1.292) 12.502 10.352 ( 2.752 3.955 2.284) 5.332 10.633 ( -6.700 -1.923 -1.725) 7.181 11.051 ( -7.979 -4.138 -0.217) 8.991 11.542 ( 13.522 1.384 0.045) 13.593 11.962 ( 15.996 1.446 -0.090) 16.061 12.697 ( -1.918 0.813 2.241) 3.059 13.112 ( 2.957 -7.075 -2.906) 8.201 13.317 ( -0.698 7.806 -0.708) 7.870 13.748 ( 1.537 8.636 -4.827) 10.012 13.962 ( 2.386 -4.196 5.202) 7.096 14.209 ( -4.689 -1.719 2.552) 5.608 14.508 ( -1.103 5.093 1.224) 5.353 14.887 ( -9.386 -2.338 -2.651) 10.029 15.004 ( -7.500 -0.019 3.949) 8.477 15.296 ( -6.671 8.195 0.866) 10.602 16.581 ( -5.078 -0.323 -1.586) 5.330 16.828 ( 1.257 -2.152 -1.598) 2.960 17.189 ( -19.725 12.089 4.539) 23.576 17.644 ( -10.116 5.121 -3.065) 11.745 18.064 ( 2.219 2.998 3.467) 5.092 18.235 ( 9.582 -0.020 0.773) 9.613 18.639 ( -4.191 0.700 -4.658) 6.305 19.036 ( 0.796 1.536 -4.159) 4.504 19.454 ( 1.127 -1.236 2.142) 2.718 19.579 ( 2.515 1.219 -0.736) 2.890 20.039 ( 2.746 -10.330 1.528) 10.797 20.451 ( -0.161 -1.300 0.612) 1.446 20.697 ( 6.061 4.960 1.807) 8.038 21.141 ( 1.796 3.578 -5.792) 7.041 21.877 ( -3.888 -10.831 2.685) 11.816 22.235 ( -2.463 -8.133 -1.843) 8.695 ======================= Grid point 146 (52/144) ======================= q-point: ( 0.30 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 16.011 13.143 -0.835) 20.732 2.411 ( 17.672 13.627 11.439) 25.077 2.839 ( -0.065 4.220 -11.325) 12.086 3.197 ( 9.882 15.210 0.765) 18.154 3.403 ( 6.844 18.743 -0.091) 19.954 3.802 ( -0.897 4.540 1.026) 4.740 4.182 ( -2.554 -1.914 6.440) 7.188 4.762 ( 1.855 -5.941 -4.783) 7.849 4.935 ( -0.131 2.396 -0.520) 2.455 5.048 ( 0.455 -1.688 -0.422) 1.798 5.398 ( 7.571 -9.274 6.952) 13.844 5.704 ( 5.229 1.069 4.597) 7.044 6.040 ( 1.409 -1.342 -2.740) 3.361 6.087 ( 1.686 -2.572 -4.862) 5.753 6.658 ( -3.206 -6.549 -3.652) 8.155 6.991 ( 2.765 -2.252 1.463) 3.855 7.090 ( -2.089 -1.047 -4.644) 5.199 7.255 ( -5.234 -7.759 -0.300) 9.364 7.466 ( -3.060 2.227 0.682) 3.845 7.583 ( -5.310 -0.206 -0.931) 5.395 7.993 ( 8.840 -15.237 0.682) 17.629 8.200 ( -1.261 -7.879 2.154) 8.265 8.406 ( 2.458 -4.048 1.367) 4.929 8.679 ( -1.759 -5.436 9.956) 11.479 8.734 ( 0.022 -6.472 -2.628) 6.985 9.193 ( -6.654 0.964 0.084) 6.724 9.552 ( -2.738 2.580 -3.931) 5.442 9.737 ( -5.635 -1.380 1.363) 5.959 9.929 ( -7.332 1.028 -0.403) 7.414 10.380 ( -1.739 1.305 -1.787) 2.814 10.532 ( -1.948 -0.684 2.642) 3.353 10.880 ( -7.381 0.840 2.615) 7.876 11.894 ( 19.722 0.378 0.665) 19.737 12.287 ( 15.264 0.161 0.364) 15.270 12.688 ( 1.314 2.834 -0.608) 3.183 13.137 ( -1.407 -7.095 -5.235) 8.929 13.300 ( -1.308 7.615 0.142) 7.728 13.802 ( 3.675 9.771 -5.456) 11.779 13.984 ( -5.184 4.954 5.194) 8.854 14.076 ( -4.354 -4.434 2.432) 6.673 14.366 ( -11.721 6.176 1.768) 13.366 14.735 ( -1.012 -2.879 -3.076) 4.333 14.945 ( -2.375 3.669 4.682) 6.405 15.160 ( -5.739 8.223 0.292) 10.032 16.470 ( -5.686 -0.358 -1.030) 5.789 16.776 ( -11.624 6.441 1.122) 13.337 16.914 ( -1.583 0.361 2.314) 2.827 17.437 ( -10.137 4.313 -3.182) 11.466 18.107 ( 2.301 3.564 1.966) 4.676 18.388 ( 2.570 2.330 -1.142) 3.652 18.612 ( 4.237 -1.335 -0.604) 4.483 19.080 ( 2.723 -0.197 -0.904) 2.876 19.439 ( -1.645 -1.047 0.886) 2.142 19.613 ( 0.360 2.859 0.664) 2.957 20.108 ( 3.778 -10.865 0.932) 11.540 20.425 ( -2.263 -2.783 0.898) 3.697 20.815 ( 5.575 4.027 1.655) 7.074 21.146 ( -1.138 2.559 -1.019) 2.980 21.829 ( -0.727 -10.868 -1.587) 11.007 22.157 ( -4.953 -7.594 -3.914) 9.875 ======================= Grid point 147 (53/144) ======================= q-point: ( 0.40 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 12.175 9.753 -3.227) 15.930 2.685 ( 0.952 10.595 -7.352) 12.931 2.839 ( 9.010 5.253 5.934) 11.999 3.293 ( -3.155 7.396 -0.421) 8.052 3.534 ( 7.675 16.372 1.063) 18.113 3.813 ( 0.016 9.156 -0.865) 9.197 4.189 ( 4.875 -1.454 3.380) 6.108 4.635 ( -11.363 -3.945 -5.580) 13.260 4.984 ( 2.835 -0.138 -2.220) 3.604 5.099 ( 3.654 0.183 2.098) 4.217 5.554 ( 6.989 -6.247 6.747) 11.550 5.772 ( -1.001 2.611 4.625) 5.405 6.048 ( 4.755 -0.693 -0.783) 4.869 6.186 ( 3.482 -4.885 -4.196) 7.320 6.616 ( -0.117 -6.744 -4.180) 7.935 6.943 ( -9.229 -4.535 -1.715) 10.425 7.103 ( 3.820 -1.809 2.352) 4.837 7.219 ( 4.276 -1.849 1.708) 4.962 7.350 ( -7.051 0.696 4.721) 8.514 7.535 ( -2.248 1.552 -2.192) 3.503 8.134 ( 4.648 -16.395 -0.692) 17.055 8.190 ( 1.346 -7.513 -1.312) 7.745 8.371 ( -5.471 -3.834 -3.278) 7.442 8.653 ( -0.061 -10.798 10.813) 15.281 8.782 ( 3.339 -7.220 -0.829) 7.998 9.033 ( -7.935 -1.671 0.671) 8.136 9.518 ( -0.396 1.376 -1.213) 1.876 9.625 ( -5.054 1.092 0.422) 5.187 9.866 ( 0.249 -2.916 -6.266) 6.916 10.281 ( -5.951 0.928 -0.695) 6.062 10.555 ( 2.535 -0.626 3.241) 4.162 10.770 ( -3.702 2.719 4.920) 6.731 12.297 ( 19.095 -0.631 2.571) 19.278 12.563 ( 11.672 0.224 -0.757) 11.698 12.740 ( 2.715 3.444 -2.922) 5.270 13.045 ( -7.318 -4.058 -4.857) 9.676 13.265 ( -1.555 8.095 0.333) 8.250 13.629 ( -18.669 5.764 1.773) 19.619 13.924 ( 4.076 7.555 -4.355) 9.626 14.110 ( 0.454 5.562 1.109) 5.689 14.238 ( 2.229 0.273 2.490) 3.353 14.657 ( -8.414 1.509 -1.772) 8.730 14.947 ( 3.125 3.999 4.230) 6.607 15.079 ( -2.784 6.921 0.229) 7.464 16.365 ( -4.107 -0.227 -0.719) 4.176 16.536 ( -9.341 3.535 4.138) 10.811 16.965 ( 4.440 0.436 -1.050) 4.583 17.242 ( -8.899 3.364 -2.633) 9.871 18.160 ( 2.779 4.028 -0.126) 4.895 18.354 ( -3.445 5.096 -0.441) 6.167 18.787 ( 10.309 -3.194 1.691) 10.924 19.097 ( -2.272 -2.123 2.186) 3.801 19.429 ( 1.651 0.370 -0.966) 1.949 19.588 ( -2.734 2.523 0.607) 3.770 20.188 ( 4.161 -8.885 0.602) 9.830 20.362 ( -3.837 -4.553 0.461) 5.972 20.922 ( 4.857 2.777 1.871) 5.899 21.102 ( -3.001 2.177 1.647) 4.057 21.850 ( 2.703 -10.101 -3.735) 11.104 22.046 ( -5.732 -7.949 -4.608) 10.830 ======================= Grid point 148 (54/144) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 0.000 10.071 -6.728) 12.112 2.567 ( -0.000 5.135 -6.710) 8.449 3.100 ( 0.000 8.798 1.241) 8.885 3.125 ( -0.000 7.144 8.535) 11.131 3.653 ( -0.000 9.153 0.762) 9.185 3.779 ( 0.000 15.493 -0.952) 15.522 4.364 ( -0.000 -2.281 -2.536) 3.411 4.401 ( 0.000 -3.123 -3.494) 4.686 5.011 ( -0.000 -1.078 -2.411) 2.641 5.147 ( 0.000 0.628 2.562) 2.638 5.654 ( 0.000 -2.413 4.120) 4.774 5.720 ( 0.000 1.155 6.795) 6.892 6.119 ( 0.000 -2.660 -3.585) 4.464 6.228 ( -0.000 -2.512 -0.605) 2.584 6.654 ( 0.000 -5.517 -5.313) 7.659 6.784 ( -0.000 -7.143 0.143) 7.144 7.168 ( 0.000 -2.496 2.693) 3.671 7.226 ( -0.000 -1.817 5.953) 6.224 7.361 ( 0.000 1.346 0.121) 1.352 7.453 ( -0.000 4.046 1.454) 4.299 8.201 ( 0.000 -17.148 -5.858) 18.121 8.228 ( -0.000 -6.298 -2.029) 6.617 8.263 ( 0.000 -7.425 -1.557) 7.586 8.659 ( 0.000 -11.705 11.432) 16.361 8.829 ( 0.000 -6.637 -3.256) 7.392 8.932 ( -0.000 -3.372 3.136) 4.605 9.536 ( 0.000 -0.079 -0.323) 0.332 9.550 ( -0.000 2.712 0.724) 2.807 9.882 ( 0.000 -4.762 -10.715) 11.726 10.208 ( 0.000 2.180 1.861) 2.866 10.590 ( 0.000 -1.303 2.741) 3.034 10.728 ( 0.000 3.206 6.137) 6.924 12.600 ( -0.000 1.860 0.063) 1.861 12.633 ( 0.000 -1.182 1.613) 2.000 12.833 ( 0.000 -0.074 -3.646) 3.647 12.871 ( -0.000 -0.581 -1.947) 2.032 13.289 ( -0.000 4.330 -1.124) 4.474 13.364 ( 0.000 11.963 2.494) 12.220 13.975 ( 0.000 3.929 -5.816) 7.019 14.081 ( 0.000 5.981 -0.736) 6.026 14.372 ( -0.000 4.455 -0.972) 4.560 14.484 ( 0.000 1.185 3.428) 3.627 15.014 ( -0.000 4.598 1.154) 4.741 15.028 ( 0.000 6.113 2.454) 6.587 16.321 ( 0.000 -0.001 -0.823) 0.823 16.436 ( 0.000 1.482 4.522) 4.758 17.074 ( 0.000 2.725 -2.182) 3.491 17.087 ( -0.000 1.330 -1.668) 2.134 18.200 ( -0.000 3.993 -2.599) 4.764 18.305 ( 0.000 5.978 2.104) 6.337 18.972 ( 0.000 -2.121 2.077) 2.968 18.993 ( -0.000 -4.172 2.948) 5.108 19.484 ( 0.000 0.431 -1.373) 1.439 19.527 ( -0.000 2.823 0.541) 2.875 20.273 ( 0.000 -6.997 0.174) 6.999 20.280 ( -0.000 -6.190 0.412) 6.204 20.995 ( 0.000 1.872 0.919) 2.085 21.047 ( 0.000 2.440 3.509) 4.274 21.919 ( 0.000 -8.816 -5.259) 10.265 21.946 ( 0.000 -9.060 -3.788) 9.820 ======================= Grid point 154 (55/144) ======================= q-point: ( 0.00 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.000 18.534 10.329) 21.218 1.985 ( 0.000 23.110 10.274) 25.291 2.520 ( 0.000 0.378 -2.034) 2.069 3.385 ( 0.000 1.728 -13.460) 13.571 3.665 ( 0.000 35.851 10.383) 37.325 4.135 ( 0.000 1.019 -3.130) 3.292 4.145 ( 0.000 5.841 8.014) 9.917 4.574 ( 0.000 7.961 -4.536) 9.163 4.663 ( 0.000 -7.883 7.211) 10.684 4.885 ( 0.000 -2.243 4.325) 4.872 5.364 ( 0.000 -2.823 -5.424) 6.115 5.440 ( 0.000 5.534 0.708) 5.579 6.016 ( 0.000 1.590 -0.405) 1.640 6.268 ( 0.000 -0.028 -5.225) 5.225 6.626 ( 0.000 -18.096 1.556) 18.163 6.792 ( 0.000 -4.613 -2.118) 5.076 6.889 ( 0.000 5.858 -1.933) 6.168 7.142 ( 0.000 -10.895 -1.822) 11.047 7.443 ( 0.000 -2.968 1.778) 3.459 7.673 ( 0.000 -7.462 -7.486) 10.570 7.775 ( 0.000 -3.642 5.482) 6.582 7.945 ( 0.000 -9.895 5.183) 11.170 8.401 ( 0.000 5.143 1.938) 5.496 8.519 ( 0.000 -6.706 5.484) 8.663 8.959 ( 0.000 3.500 -4.477) 5.683 9.323 ( 0.000 1.728 -1.558) 2.327 9.779 ( 0.000 -3.173 -1.974) 3.737 9.891 ( 0.000 -1.620 2.848) 3.276 10.390 ( 0.000 7.902 3.063) 8.475 10.520 ( 0.000 0.814 2.154) 2.302 10.809 ( 0.000 -9.940 -1.983) 10.136 10.856 ( 0.000 -0.934 -9.394) 9.441 11.415 ( 0.000 1.091 3.525) 3.691 11.614 ( 0.000 -1.903 -2.479) 3.125 12.751 ( 0.000 -2.127 4.083) 4.604 12.894 ( 0.000 -7.477 0.641) 7.505 13.533 ( 0.000 5.019 1.544) 5.251 13.710 ( 0.000 0.261 -2.210) 2.226 13.770 ( 0.000 0.356 4.409) 4.424 14.253 ( 0.000 -0.620 -5.930) 5.962 14.631 ( 0.000 1.632 4.863) 5.129 14.847 ( 0.000 -1.733 10.174) 10.321 15.309 ( 0.000 -5.134 -5.034) 7.190 15.451 ( 0.000 -1.362 -2.029) 2.444 16.736 ( 0.000 1.534 -1.696) 2.287 16.751 ( 0.000 0.834 -1.361) 1.597 17.872 ( 0.000 3.289 -0.431) 3.317 17.902 ( 0.000 5.214 -1.013) 5.311 18.091 ( 0.000 1.231 6.942) 7.051 18.214 ( 0.000 5.150 2.345) 5.658 18.837 ( 0.000 -5.216 -4.898) 7.155 18.901 ( 0.000 -1.344 -7.981) 8.093 19.417 ( 0.000 -0.181 -1.257) 1.270 19.449 ( 0.000 1.408 -6.610) 6.758 20.030 ( 0.000 0.567 5.353) 5.383 20.377 ( 0.000 0.452 -4.902) 4.923 20.650 ( 0.000 8.335 5.242) 9.846 21.165 ( 0.000 5.477 -11.321) 12.576 21.838 ( 0.000 -9.824 11.684) 15.266 22.050 ( 0.000 -9.311 1.331) 9.406 ======================= Grid point 155 (56/144) ======================= q-point: ( 0.10 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 10.523 18.306 6.800) 22.183 2.065 ( 7.779 19.010 11.269) 23.428 2.598 ( 7.307 0.677 -3.303) 8.047 3.368 ( -1.586 1.441 -11.745) 11.938 3.673 ( 0.880 31.172 8.607) 32.351 4.030 ( -4.442 7.318 2.878) 9.031 4.240 ( 3.109 2.902 0.877) 4.342 4.524 ( -0.850 2.337 3.121) 3.990 4.762 ( 6.521 -2.225 4.087) 8.011 4.910 ( 2.295 -4.442 3.293) 5.987 5.292 ( -4.603 0.100 -1.562) 4.862 5.534 ( 6.690 1.723 -3.545) 7.765 5.956 ( -4.771 2.622 -0.075) 5.444 6.240 ( -2.619 0.072 -7.195) 7.657 6.628 ( -0.514 -15.050 -1.227) 15.108 6.812 ( 1.850 -3.622 -0.716) 4.130 6.966 ( 6.440 0.960 -0.442) 6.527 7.144 ( -0.216 -9.723 -2.497) 10.041 7.438 ( 0.361 -4.619 1.625) 4.910 7.635 ( -3.109 -5.701 -3.517) 7.385 7.782 ( 0.546 -2.725 0.922) 2.928 7.974 ( 2.031 -11.084 5.642) 12.602 8.327 ( -5.161 0.908 3.519) 6.312 8.568 ( 3.098 -2.691 6.364) 7.573 8.908 ( -4.305 3.259 -5.221) 7.511 9.330 ( -0.093 0.454 -1.773) 1.833 9.746 ( -3.004 -1.498 -2.602) 4.247 9.851 ( -3.693 -3.233 3.056) 5.782 10.388 ( -1.409 5.185 2.456) 5.907 10.448 ( -5.496 3.362 1.256) 6.564 10.740 ( -5.578 -1.216 -3.787) 6.851 10.922 ( 4.232 -8.637 -4.816) 10.757 11.437 ( 2.331 1.558 1.828) 3.347 11.702 ( 9.280 -1.119 0.110) 9.348 12.731 ( -1.494 -1.396 2.705) 3.391 12.914 ( 1.848 -7.733 0.054) 7.951 13.490 ( -2.632 6.547 -0.787) 7.100 13.708 ( 1.784 -3.889 4.025) 5.874 13.894 ( 8.056 5.015 -0.034) 9.490 14.229 ( -1.917 -1.351 -3.005) 3.811 14.622 ( -0.941 3.807 3.107) 5.003 14.871 ( 2.387 -1.793 6.731) 7.363 15.199 ( -10.354 -3.781 -3.320) 11.512 15.445 ( -1.253 -1.162 -1.228) 2.104 16.676 ( -4.064 0.664 -2.832) 4.998 16.774 ( 0.763 0.550 0.444) 1.040 17.728 ( -10.258 6.216 -1.045) 12.040 17.986 ( -6.152 3.871 0.984) 7.335 18.047 ( 0.936 4.545 1.561) 4.896 18.137 ( -0.387 2.581 3.421) 4.302 18.732 ( -4.313 -0.559 -5.092) 6.696 19.028 ( 3.446 -3.814 -6.154) 8.019 19.357 ( 1.492 -0.622 -1.186) 2.005 19.510 ( 1.223 -1.294 -1.251) 2.176 19.972 ( -3.539 0.879 1.898) 4.111 20.414 ( 1.630 -1.526 -1.736) 2.829 20.704 ( 4.886 8.496 3.326) 10.350 21.187 ( 1.768 4.978 -9.788) 11.122 21.785 ( -4.378 -8.865 9.119) 13.450 22.063 ( 0.478 -10.350 0.968) 10.406 ======================= Grid point 156 (57/144) ======================= q-point: ( 0.20 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 13.266 16.884 2.337) 21.599 2.286 ( 13.333 11.032 12.370) 21.272 2.779 ( 9.103 1.264 -6.748) 11.402 3.327 ( -1.990 0.131 -6.775) 7.062 3.712 ( 3.193 22.037 3.490) 22.539 3.967 ( -1.841 9.461 3.412) 10.224 4.253 ( -1.081 6.297 0.299) 6.396 4.582 ( 5.470 -0.521 3.692) 6.620 4.894 ( 5.666 -0.810 3.296) 6.605 4.962 ( 2.626 -5.352 2.671) 6.533 5.219 ( -1.465 -0.381 3.222) 3.560 5.670 ( 5.771 1.700 -5.254) 7.987 5.886 ( -0.194 1.647 0.039) 1.659 6.170 ( -4.113 0.517 -6.723) 7.898 6.593 ( -2.693 -9.792 -4.356) 11.050 6.868 ( 3.220 -4.368 2.181) 5.849 7.058 ( 1.215 -2.847 -1.456) 3.421 7.130 ( -0.786 -8.463 -2.261) 8.795 7.482 ( 2.520 -6.084 -0.967) 6.656 7.593 ( 0.822 -4.310 -1.802) 4.743 7.766 ( -2.898 0.926 -1.346) 3.327 8.008 ( 1.253 -12.389 5.410) 13.577 8.241 ( -2.531 -4.440 7.423) 9.012 8.620 ( 1.768 -2.240 6.768) 7.345 8.803 ( -5.847 3.328 -5.549) 8.721 9.292 ( -3.997 -2.024 -2.111) 4.953 9.666 ( -4.704 0.431 -3.363) 5.798 9.763 ( -4.226 -4.623 3.134) 7.004 10.219 ( -12.428 3.890 -0.412) 13.029 10.416 ( -0.124 2.825 -1.261) 3.096 10.622 ( -5.412 0.672 0.992) 5.543 10.950 ( -2.170 -5.935 0.275) 6.325 11.574 ( 12.358 1.994 -1.150) 12.571 11.964 ( 15.185 -1.341 3.116) 15.559 12.713 ( 0.154 0.761 -0.158) 0.792 12.959 ( 2.334 -7.997 -2.005) 8.569 13.454 ( -1.054 6.300 -1.638) 6.594 13.782 ( 5.255 -2.800 4.816) 7.658 14.026 ( 4.139 8.571 -1.809) 9.688 14.186 ( -2.461 -1.046 0.347) 2.696 14.611 ( 0.288 5.039 -0.092) 5.048 14.879 ( -11.006 2.230 -1.545) 11.336 14.960 ( -3.322 -3.999 5.177) 7.337 15.383 ( -4.767 0.477 -0.289) 4.799 16.581 ( -5.116 0.343 -2.507) 5.707 16.785 ( 0.420 -1.626 1.469) 2.231 17.423 ( -18.819 11.260 0.319) 21.933 17.744 ( -11.604 5.054 -1.987) 12.812 18.124 ( 2.427 3.057 2.954) 4.896 18.232 ( 8.558 -0.101 0.175) 8.560 18.652 ( -3.782 0.551 -4.939) 6.246 19.042 ( 0.378 -0.996 -1.769) 2.066 19.431 ( 1.162 -1.250 2.488) 3.017 19.549 ( 5.152 -4.593 -0.805) 6.949 19.925 ( -1.217 -0.759 -0.322) 1.470 20.414 ( -1.460 -2.841 1.225) 3.421 20.814 ( 5.380 7.531 0.960) 9.305 21.216 ( 0.690 4.193 -5.957) 7.317 21.692 ( -4.162 -8.367 4.688) 10.455 22.048 ( -2.119 -10.988 -0.977) 11.233 ======================= Grid point 157 (58/144) ======================= q-point: ( 0.30 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 11.654 12.854 0.652) 17.363 2.577 ( 14.797 5.462 12.698) 20.249 2.897 ( 1.235 2.371 -9.940) 10.293 3.319 ( 1.554 -1.928 0.247) 2.488 3.796 ( 4.440 16.531 -2.611) 17.315 3.957 ( 1.553 8.211 2.798) 8.813 4.225 ( -1.553 8.751 -1.843) 9.076 4.665 ( 0.014 -3.781 -0.228) 3.788 4.944 ( 1.746 -1.319 0.668) 2.288 5.040 ( 3.792 0.954 4.386) 5.876 5.270 ( 6.508 -2.886 6.319) 9.519 5.774 ( 5.795 5.491 -1.621) 8.146 5.957 ( 4.452 -4.275 -1.881) 6.452 6.090 ( -2.401 1.774 -2.944) 4.193 6.535 ( -2.616 -6.274 -5.352) 8.651 6.919 ( 0.885 -5.941 2.907) 6.673 7.042 ( -2.042 -4.607 0.574) 5.072 7.117 ( 0.725 -4.467 -1.677) 4.826 7.496 ( -0.184 1.162 -5.566) 5.689 7.616 ( -4.372 -0.595 -0.941) 4.512 7.727 ( 3.525 -7.768 -0.630) 8.553 8.023 ( 0.310 -10.683 3.625) 11.286 8.235 ( 1.288 -10.918 10.373) 15.115 8.589 ( -6.725 -7.630 -3.007) 10.606 8.711 ( -1.672 4.989 2.801) 5.960 9.163 ( -8.472 -3.740 -1.979) 9.470 9.567 ( -4.449 -1.123 -1.387) 4.794 9.698 ( -2.313 -2.285 0.356) 3.271 9.970 ( -10.491 3.393 -3.623) 11.606 10.393 ( -2.852 0.445 -3.334) 4.409 10.537 ( -2.402 0.458 5.689) 6.192 10.875 ( -3.977 -1.100 4.433) 6.056 11.905 ( 18.860 1.048 -0.628) 18.900 12.278 ( 15.259 -1.362 3.258) 15.662 12.748 ( 3.143 3.094 -3.079) 5.379 12.993 ( 0.537 -6.723 -4.326) 8.012 13.435 ( -1.150 5.986 -2.179) 6.473 13.889 ( 2.238 -2.323 3.077) 4.458 14.059 ( -0.615 4.532 -1.261) 4.744 14.123 ( -1.897 8.929 -0.386) 9.136 14.508 ( -13.523 7.065 2.021) 15.391 14.694 ( 1.073 -0.615 -1.784) 2.171 14.965 ( -0.196 -0.619 5.386) 5.425 15.272 ( -5.373 2.434 -0.136) 5.901 16.475 ( -5.218 0.971 -1.351) 5.477 16.778 ( -2.642 -3.131 1.618) 4.405 17.065 ( -13.342 11.705 0.193) 17.750 17.516 ( -11.165 3.486 -2.686) 12.001 18.176 ( 2.927 3.350 0.812) 4.522 18.409 ( 6.968 0.022 -1.075) 7.050 18.601 ( 0.193 -0.030 -2.244) 2.253 19.064 ( 1.014 -1.475 2.453) 3.036 19.422 ( -0.410 -0.472 0.568) 0.845 19.656 ( 3.218 0.131 0.687) 3.293 19.928 ( 1.978 -6.078 -0.035) 6.392 20.360 ( -3.848 -4.155 1.816) 5.948 20.913 ( 4.377 6.234 0.338) 7.624 21.207 ( -1.637 3.724 -2.090) 4.574 21.637 ( -0.933 -8.836 0.578) 8.904 21.977 ( -4.690 -10.742 -2.729) 12.035 ======================= Grid point 158 (59/144) ======================= q-point: ( 0.40 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 8.919 8.423 -1.761) 12.394 2.808 ( -2.043 4.091 -5.194) 6.921 2.909 ( 10.918 2.005 11.105) 15.702 3.327 ( -3.125 -2.075 7.984) 8.822 3.875 ( 3.994 15.658 -8.547) 18.280 4.054 ( 6.491 9.021 -1.633) 11.233 4.195 ( -0.299 5.096 -4.446) 6.769 4.547 ( -9.976 -4.705 -3.864) 11.687 5.003 ( 2.347 1.898 1.023) 3.187 5.112 ( 3.794 1.056 5.339) 6.635 5.444 ( 9.635 -3.349 5.919) 11.793 5.816 ( -4.733 0.836 0.233) 4.812 6.051 ( 7.955 2.102 1.409) 8.348 6.129 ( 4.078 0.254 -3.782) 5.568 6.504 ( 0.242 -4.711 -4.010) 6.192 6.822 ( -9.558 -7.391 -1.988) 12.245 7.056 ( 3.360 -2.224 6.374) 7.541 7.206 ( 7.288 -0.514 -0.424) 7.319 7.397 ( -7.485 3.501 0.833) 8.305 7.578 ( -0.368 2.256 -2.736) 3.565 7.803 ( 2.843 -15.729 -3.568) 16.378 8.037 ( 1.406 -8.853 0.148) 8.965 8.239 ( -2.713 -11.010 7.076) 13.366 8.421 ( -6.689 -11.083 -0.920) 12.977 8.690 ( -1.158 -2.949 0.836) 3.277 8.984 ( -7.725 -2.765 1.849) 8.411 9.512 ( -0.764 -1.395 -0.940) 1.848 9.649 ( -2.906 0.401 0.092) 2.935 9.831 ( -3.152 -0.237 -9.443) 9.958 10.307 ( -4.435 1.805 -0.273) 4.796 10.528 ( 0.856 -2.227 5.042) 5.578 10.810 ( -2.422 1.526 7.757) 8.269 12.299 ( 19.309 1.073 1.685) 19.412 12.570 ( 13.025 -0.194 0.267) 13.029 12.805 ( 0.758 3.162 -3.769) 4.977 12.965 ( -3.602 -3.613 -4.756) 6.975 13.394 ( -2.955 5.028 -3.404) 6.753 13.727 ( -12.849 4.205 3.825) 14.050 14.055 ( -0.173 4.181 -5.718) 7.086 14.207 ( 5.862 7.408 0.744) 9.476 14.325 ( -1.707 6.680 3.856) 7.900 14.672 ( -5.669 0.351 -2.635) 6.261 14.985 ( 3.624 0.122 6.163) 7.151 15.182 ( -3.905 2.863 1.338) 5.024 16.386 ( -2.879 2.589 -1.131) 4.033 16.613 ( -10.420 3.774 1.644) 11.204 16.989 ( 3.362 2.469 -0.886) 4.265 17.297 ( -10.159 1.965 -2.255) 10.590 18.241 ( 3.315 4.319 -1.779) 5.727 18.443 ( -1.827 3.982 -1.715) 4.704 18.718 ( 9.311 -3.914 1.876) 10.273 19.041 ( -3.902 -3.469 4.350) 6.796 19.449 ( 3.271 1.921 -1.040) 3.934 19.656 ( -2.651 4.185 1.576) 5.199 20.010 ( 5.591 -9.204 0.300) 10.773 20.262 ( -5.607 -5.809 1.198) 8.162 20.995 ( 3.735 4.907 0.291) 6.173 21.157 ( -3.045 3.554 0.330) 4.692 21.659 ( 2.977 -9.438 -1.971) 10.091 21.867 ( -5.936 -10.350 -3.395) 12.405 ======================= Grid point 159 (60/144) ======================= q-point: (-0.50 0.30 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( 0.000 3.453 -5.732) 6.692 2.700 ( -0.000 7.988 -4.035) 8.950 3.167 ( 0.000 -0.021 13.904) 13.904 3.174 ( -0.000 -0.249 12.801) 12.803 3.935 ( -0.000 16.592 -11.262) 20.053 4.099 ( -0.000 13.233 -6.652) 14.811 4.316 ( 0.000 -2.382 -2.868) 3.728 4.327 ( -0.000 -4.001 -4.949) 6.364 5.024 ( 0.000 2.319 0.436) 2.359 5.160 ( 0.000 0.676 6.603) 6.638 5.609 ( 0.000 -0.428 2.821) 2.853 5.691 ( -0.000 -3.944 4.975) 6.348 6.142 ( 0.000 5.904 -2.443) 6.390 6.197 ( 0.000 -0.630 -2.608) 2.683 6.574 ( 0.000 -2.449 -2.130) 3.246 6.635 ( -0.000 -7.775 -1.183) 7.864 7.125 ( 0.000 -1.110 4.354) 4.493 7.220 ( -0.000 0.304 6.073) 6.080 7.420 ( 0.000 3.141 -4.453) 5.449 7.514 ( -0.000 2.420 2.261) 3.312 7.844 ( -0.000 -17.996 -6.321) 19.074 8.068 ( -0.000 -10.574 1.676) 10.706 8.156 ( 0.000 -5.207 -4.198) 6.689 8.370 ( 0.000 -15.767 8.020) 17.690 8.674 ( -0.000 -8.632 -4.223) 9.610 8.899 ( 0.000 -0.597 6.735) 6.761 9.516 ( 0.000 -1.823 -2.212) 2.867 9.606 ( 0.000 2.779 2.043) 3.449 9.809 ( 0.000 -3.039 -13.626) 13.961 10.255 ( 0.000 2.863 1.965) 3.472 10.542 ( 0.000 -3.520 4.080) 5.388 10.783 ( 0.000 2.438 9.508) 9.816 12.639 ( -0.000 1.588 0.132) 1.594 12.648 ( 0.000 2.836 0.389) 2.862 12.828 ( 0.000 -0.422 -3.092) 3.121 12.852 ( -0.000 -1.324 -2.760) 3.062 13.351 ( 0.000 2.374 -4.677) 5.245 13.577 ( 0.000 9.410 4.620) 10.483 14.053 ( 0.000 3.819 -6.823) 7.819 14.215 ( 0.000 7.660 -0.971) 7.721 14.451 ( 0.000 3.163 0.877) 3.282 14.519 ( 0.000 3.134 1.909) 3.669 15.085 ( -0.000 2.449 3.160) 3.998 15.094 ( 0.000 -0.004 4.361) 4.361 16.366 ( -0.000 4.761 -2.692) 5.469 16.485 ( 0.000 3.657 2.727) 4.562 17.096 ( 0.000 -0.517 -2.361) 2.417 17.125 ( -0.000 2.306 -0.819) 2.447 18.285 ( -0.000 4.805 -4.425) 6.532 18.411 ( 0.000 4.813 0.977) 4.911 18.887 ( 0.000 -6.548 2.168) 6.898 18.929 ( -0.000 -2.237 4.502) 5.027 19.513 ( 0.000 2.841 -1.544) 3.234 19.599 ( 0.000 4.544 2.489) 5.181 20.118 ( 0.000 -8.976 -0.268) 8.980 20.155 ( -0.000 -6.629 1.335) 6.762 21.051 ( 0.000 4.046 -0.623) 4.093 21.107 ( 0.000 3.813 2.012) 4.311 21.743 ( -0.000 -9.217 -3.407) 9.826 21.753 ( 0.000 -10.670 -2.841) 11.041 ======================= Grid point 165 (61/144) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.000 14.723 5.070) 15.572 2.310 ( 0.000 4.984 2.166) 5.434 2.570 ( 0.000 10.868 0.117) 10.868 3.226 ( 0.000 -14.801 -11.138) 18.523 4.087 ( 0.000 10.750 5.369) 12.016 4.201 ( 0.000 2.061 3.354) 3.936 4.299 ( 0.000 8.357 5.969) 10.269 4.522 ( 0.000 -5.563 7.362) 9.228 4.737 ( 0.000 7.576 -3.671) 8.418 4.890 ( 0.000 -0.099 -3.808) 3.810 5.395 ( 0.000 7.287 -0.845) 7.336 5.562 ( 0.000 6.064 -0.268) 6.069 6.017 ( 0.000 -1.154 0.849) 1.433 6.214 ( 0.000 -12.523 -3.237) 12.934 6.462 ( 0.000 8.973 1.094) 9.040 6.723 ( 0.000 -1.940 -1.769) 2.625 6.971 ( 0.000 -7.058 -4.347) 8.289 6.982 ( 0.000 2.193 -5.028) 5.485 7.368 ( 0.000 -3.739 3.917) 5.415 7.530 ( 0.000 -7.546 0.436) 7.558 7.707 ( 0.000 -3.173 8.102) 8.701 7.757 ( 0.000 -8.195 9.414) 12.481 8.442 ( 0.000 -1.738 1.320) 2.182 8.450 ( 0.000 0.237 0.422) 0.484 9.069 ( 0.000 7.424 -6.780) 10.054 9.318 ( 0.000 -2.782 -3.955) 4.836 9.737 ( 0.000 -0.659 -4.060) 4.113 9.829 ( 0.000 -3.996 0.230) 4.003 10.484 ( 0.000 0.412 0.294) 0.507 10.501 ( 0.000 -2.027 1.228) 2.370 10.716 ( 0.000 1.498 -0.862) 1.728 10.841 ( 0.000 -1.352 -6.685) 6.820 11.441 ( 0.000 1.876 2.214) 2.902 11.559 ( 0.000 -3.567 -1.389) 3.828 12.709 ( 0.000 -1.814 3.643) 4.069 12.763 ( 0.000 -5.464 1.971) 5.808 13.581 ( 0.000 1.879 4.203) 4.604 13.686 ( 0.000 -2.435 2.357) 3.389 13.897 ( 0.000 9.876 1.509) 9.991 14.207 ( 0.000 -4.489 -4.780) 6.558 14.677 ( 0.000 3.154 4.297) 5.331 14.812 ( 0.000 -2.426 7.241) 7.636 15.248 ( 0.000 -0.565 -4.507) 4.543 15.383 ( 0.000 -4.956 -3.174) 5.885 16.765 ( 0.000 1.442 -1.541) 2.110 16.776 ( 0.000 1.201 -1.272) 1.749 17.945 ( 0.000 4.108 0.601) 4.152 18.006 ( 0.000 4.390 -0.910) 4.483 18.109 ( 0.000 1.578 6.068) 6.270 18.261 ( 0.000 -0.720 2.353) 2.461 18.758 ( 0.000 -2.037 -3.784) 4.297 18.847 ( 0.000 -3.913 -4.979) 6.333 19.424 ( 0.000 0.753 -1.687) 1.847 19.457 ( 0.000 -0.390 -4.200) 4.218 20.085 ( 0.000 4.890 1.628) 5.154 20.323 ( 0.000 -5.316 -3.579) 6.409 20.863 ( 0.000 12.794 1.988) 12.947 21.222 ( 0.000 -1.011 -9.470) 9.523 21.694 ( 0.000 -3.800 10.186) 10.871 21.872 ( 0.000 -9.027 2.089) 9.265 ======================= Grid point 166 (62/144) ======================= q-point: ( 0.10 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 9.117 13.354 3.381) 16.519 2.349 ( 3.731 6.546 2.532) 7.949 2.644 ( 6.973 8.007 -0.303) 10.622 3.218 ( -0.726 -13.658 -9.239) 16.506 4.024 ( -4.688 8.706 5.865) 11.497 4.148 ( -4.351 2.094 4.089) 6.327 4.358 ( 4.984 6.842 0.857) 8.509 4.582 ( 3.577 0.853 6.485) 7.455 4.759 ( 3.060 3.288 0.387) 4.508 4.885 ( 0.080 -0.362 -2.367) 2.396 5.353 ( -3.507 7.676 0.843) 8.481 5.592 ( 2.646 2.787 -2.628) 4.656 5.989 ( -2.054 0.769 -0.475) 2.244 6.256 ( 3.179 -7.946 -3.969) 9.434 6.420 ( -3.593 5.461 0.636) 6.568 6.742 ( 1.821 -3.091 -0.918) 3.703 6.968 ( -0.200 -3.966 -3.827) 5.515 7.012 ( 1.750 -3.300 -5.577) 6.712 7.362 ( -0.111 -2.525 5.328) 5.897 7.527 ( -0.009 -6.264 -0.805) 6.315 7.713 ( 0.937 -3.921 7.428) 8.451 7.784 ( 1.937 -6.821 8.500) 11.070 8.333 ( -6.022 0.458 -0.933) 6.111 8.531 ( 2.970 -2.169 4.876) 6.108 9.019 ( -4.364 7.695 -8.192) 12.057 9.294 ( -2.569 -4.277 -4.468) 6.697 9.712 ( -2.113 -1.234 -2.073) 3.207 9.780 ( -4.376 -3.798 1.019) 5.883 10.412 ( -3.663 -0.355 -0.772) 3.760 10.557 ( -1.204 5.615 -0.607) 5.775 10.711 ( -0.821 -2.270 -0.141) 2.419 10.804 ( -0.900 -3.266 -4.198) 5.394 11.470 ( 3.276 1.886 -0.196) 3.785 11.658 ( 9.577 -3.024 2.384) 10.323 12.704 ( -0.037 -1.136 1.907) 2.220 12.782 ( 1.742 -5.455 1.058) 5.823 13.570 ( -1.231 1.800 0.716) 2.295 13.687 ( 1.650 0.958 5.540) 5.859 13.993 ( 7.243 4.874 0.366) 8.738 14.200 ( -0.356 -1.682 -1.990) 2.629 14.687 ( 0.749 2.509 1.324) 2.935 14.835 ( 2.001 -2.043 6.185) 6.814 15.171 ( -7.425 1.493 -3.334) 8.275 15.372 ( -1.322 -5.754 -2.367) 6.360 16.692 ( -4.767 0.781 -3.214) 5.802 16.796 ( -0.234 1.212 1.493) 1.938 17.837 ( -8.372 4.945 -1.782) 9.885 18.038 ( -4.432 1.452 2.985) 5.537 18.110 ( 2.870 2.345 1.951) 4.188 18.187 ( -3.534 1.911 1.997) 4.486 18.727 ( -2.195 0.584 -4.246) 4.816 18.923 ( 4.765 -6.317 -3.780) 8.769 19.354 ( -1.485 0.174 -2.692) 3.080 19.486 ( -0.670 -1.060 0.877) 1.530 20.029 ( -3.591 4.276 -2.217) 6.008 20.350 ( 1.159 -4.535 0.233) 4.686 20.903 ( 3.476 11.534 0.595) 12.061 21.245 ( 1.951 -0.257 -8.338) 8.567 21.657 ( -3.337 -3.222 8.748) 9.902 21.865 ( -0.813 -9.854 1.655) 10.025 ======================= Grid point 167 (63/144) ======================= q-point: ( 0.20 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 11.238 10.883 1.363) 15.703 2.461 ( 7.413 6.081 4.531) 10.604 2.821 ( 9.124 4.513 -2.293) 10.434 3.202 ( -0.496 -10.541 -4.888) 11.630 3.945 ( -2.130 5.408 3.308) 6.688 4.073 ( -2.714 1.773 3.613) 4.854 4.433 ( 1.132 6.150 -4.877) 7.931 4.632 ( 1.995 4.349 4.488) 6.560 4.848 ( 4.305 -1.155 2.836) 5.283 4.935 ( 5.258 -0.327 4.149) 6.706 5.290 ( -1.538 8.664 2.576) 9.169 5.660 ( 3.990 -3.426 -5.885) 7.892 5.965 ( 0.432 5.311 -0.306) 5.338 6.280 ( -2.630 10.944 -5.571) 12.559 6.373 ( 0.764 -10.288 1.025) 10.367 6.789 ( 2.448 -4.409 0.591) 5.078 6.941 ( -2.652 -7.138 -4.176) 8.684 7.029 ( 0.240 -4.897 -2.736) 5.615 7.393 ( 3.127 -2.329 3.879) 5.500 7.531 ( 0.370 -3.774 -3.548) 5.193 7.749 ( 2.341 -2.940 5.752) 6.870 7.813 ( 0.629 -5.325 5.456) 7.650 8.203 ( -6.598 0.479 1.066) 6.701 8.546 ( -2.079 -4.759 7.527) 9.145 8.919 ( -5.055 7.454 -8.761) 12.565 9.210 ( -5.661 -6.056 -5.367) 9.875 9.648 ( -4.883 -1.432 -0.846) 5.158 9.691 ( -3.115 -2.961 3.740) 5.697 10.279 ( -10.385 2.264 -4.122) 11.400 10.477 ( -3.956 3.847 -4.159) 6.910 10.632 ( -5.405 -0.606 2.839) 6.135 10.847 ( 1.953 -4.131 3.479) 5.743 11.617 ( 11.930 2.277 -2.980) 12.505 11.916 ( 14.867 -3.151 6.119) 16.383 12.725 ( 2.338 0.493 -1.574) 2.861 12.832 ( 3.168 -4.847 -1.476) 5.976 13.545 ( -0.957 2.875 -1.872) 3.562 13.757 ( 4.586 0.432 6.671) 8.107 14.108 ( 2.508 -1.005 -3.491) 4.415 14.227 ( 3.803 5.551 2.425) 7.152 14.685 ( -1.544 3.036 -0.058) 3.407 14.865 ( -2.203 -5.487 3.544) 6.894 14.986 ( -7.088 8.218 -0.870) 10.887 15.323 ( -3.466 -6.210 -1.386) 7.246 16.591 ( -4.840 0.486 -3.274) 5.864 16.769 ( -2.166 -0.217 3.929) 4.492 17.599 ( -15.034 6.770 -3.081) 16.773 17.824 ( -13.082 2.972 1.300) 13.479 18.162 ( 2.194 0.424 0.158) 2.241 18.246 ( 7.051 1.761 1.502) 7.421 18.663 ( -3.665 0.710 -6.377) 7.389 18.999 ( 2.754 -3.125 1.744) 4.515 19.397 ( 3.224 -2.426 0.359) 4.051 19.465 ( 1.357 -2.564 0.994) 3.067 19.970 ( -2.525 3.884 -3.643) 5.894 20.342 ( -2.035 -4.263 3.392) 5.815 20.980 ( 3.730 9.202 -1.156) 9.996 21.279 ( 0.884 1.018 -5.771) 5.926 21.577 ( -4.080 -2.469 5.799) 7.508 21.832 ( -2.506 -11.005 0.104) 11.288 ======================= Grid point 168 (64/144) ======================= q-point: ( 0.30 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 7.761 8.842 1.335) 11.841 2.650 ( 11.278 2.113 7.493) 13.704 2.940 ( 1.189 2.090 -5.600) 6.095 3.231 ( 3.765 -5.429 1.565) 6.790 3.956 ( 2.759 3.358 1.148) 4.495 4.046 ( 0.671 1.502 -0.275) 1.668 4.406 ( -3.054 4.483 -6.658) 8.588 4.627 ( -3.948 0.063 1.451) 4.206 4.952 ( 5.884 2.288 3.755) 7.345 5.034 ( 3.892 -1.548 5.038) 6.552 5.332 ( 5.715 8.962 3.262) 11.118 5.754 ( 4.907 -6.827 -5.380) 9.981 6.017 ( 4.098 7.186 0.457) 8.285 6.218 ( -1.379 14.015 -1.450) 14.157 6.402 ( 1.135 -7.906 -0.723) 8.020 6.805 ( -2.279 -4.531 -2.318) 5.576 6.913 ( 2.012 -9.191 0.039) 9.409 7.045 ( 1.727 -4.715 1.064) 5.132 7.441 ( 0.283 -5.711 -2.249) 6.145 7.558 ( 2.736 -0.413 -5.271) 5.954 7.754 ( -3.364 3.120 -2.348) 5.154 7.831 ( 1.952 -6.722 7.647) 10.367 8.089 ( -3.751 -3.800 5.870) 7.935 8.428 ( -9.458 -8.280 4.252) 13.270 8.813 ( -6.058 4.635 -4.825) 9.026 9.075 ( -7.203 -4.622 -3.262) 9.159 9.548 ( -4.089 -0.012 0.496) 4.119 9.642 ( -1.891 -3.510 1.159) 4.153 10.040 ( -11.509 3.155 -6.835) 13.753 10.413 ( -2.963 1.814 -3.748) 5.110 10.527 ( -4.350 -1.728 6.311) 7.857 10.853 ( -0.822 -0.934 7.723) 7.823 11.938 ( 18.741 2.249 -2.176) 19.001 12.231 ( 15.752 -3.256 5.714) 17.070 12.796 ( 4.258 1.771 -4.454) 6.412 12.898 ( 2.744 -3.072 -3.813) 5.613 13.525 ( -1.448 3.224 -4.095) 5.409 13.837 ( 1.802 -1.944 6.016) 6.575 14.113 ( -1.096 1.285 -5.373) 5.632 14.313 ( 3.812 8.718 2.561) 9.854 14.590 ( -8.967 2.399 2.795) 9.694 14.716 ( -4.564 0.470 1.236) 4.751 14.974 ( 0.547 3.479 1.970) 4.035 15.245 ( -3.614 -4.947 -1.044) 6.215 16.505 ( -3.474 1.928 -1.787) 4.356 16.718 ( -2.734 -2.778 3.794) 5.439 17.277 ( -14.875 9.520 -3.212) 17.950 17.555 ( -13.183 0.330 -0.788) 13.211 18.227 ( 4.138 1.848 -1.781) 4.869 18.407 ( 8.214 0.099 1.200) 8.302 18.603 ( -1.836 0.188 -5.780) 6.067 19.028 ( -0.319 -2.003 6.838) 7.132 19.428 ( 2.203 1.274 0.059) 2.545 19.584 ( 7.607 -5.938 0.424) 9.660 19.916 ( -2.824 3.095 -2.248) 4.755 20.270 ( -4.996 -4.834 4.020) 8.031 21.048 ( 3.034 7.467 -1.387) 8.178 21.274 ( -1.356 2.020 -3.339) 4.131 21.511 ( -1.986 -3.044 2.584) 4.460 21.763 ( -4.261 -11.155 -1.492) 12.034 ======================= Grid point 169 (65/144) ======================= q-point: ( 0.40 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 5.073 4.776 -1.375) 7.102 2.871 ( 1.151 2.683 -0.726) 3.008 2.929 ( 7.814 0.191 7.430) 10.785 3.281 ( -1.122 -1.852 9.313) 9.562 4.036 ( 5.764 2.897 -1.900) 6.725 4.122 ( 6.186 0.974 -5.901) 8.604 4.326 ( -4.762 3.628 -7.174) 9.344 4.475 ( -9.893 -2.199 -2.459) 10.428 5.035 ( 2.010 0.727 1.474) 2.596 5.124 ( 4.548 0.463 6.725) 8.132 5.482 ( 8.219 5.984 2.887) 10.569 5.790 ( -2.747 -1.850 0.542) 3.356 6.108 ( 4.835 1.780 -2.162) 5.587 6.272 ( 5.271 14.888 1.037) 15.828 6.428 ( 2.674 -3.209 -0.183) 4.181 6.722 ( -5.304 -1.422 -3.301) 6.407 6.998 ( 5.217 -5.662 3.061) 8.285 7.120 ( 5.447 -10.079 1.324) 11.533 7.404 ( -3.049 -3.243 -6.412) 7.805 7.602 ( 0.092 1.436 -3.542) 3.823 7.659 ( -4.281 0.822 -3.492) 5.585 7.867 ( 1.300 -6.558 5.010) 8.354 8.054 ( -0.649 -6.593 8.663) 10.906 8.209 ( -9.666 -11.057 -1.281) 14.742 8.655 ( -8.694 -1.032 -4.688) 9.931 8.945 ( -4.886 -1.190 4.671) 6.864 9.495 ( -1.285 -0.036 -1.745) 2.167 9.626 ( 0.599 -2.223 -0.693) 2.404 9.847 ( -7.363 1.147 -9.901) 12.392 10.348 ( -2.971 2.461 -1.080) 4.006 10.473 ( -1.060 -3.255 6.833) 7.643 10.831 ( -1.039 0.747 10.707) 10.783 12.340 ( 20.009 2.950 0.243) 20.227 12.542 ( 14.402 -2.657 2.047) 14.788 12.856 ( -0.074 2.109 -4.310) 4.798 12.916 ( -1.522 -1.544 -4.387) 4.894 13.462 ( -5.035 2.215 -6.267) 8.338 13.781 ( -5.826 1.544 5.876) 8.417 14.100 ( 0.215 1.355 -7.713) 7.834 14.384 ( 1.333 9.363 1.560) 9.585 14.438 ( -2.168 4.505 4.623) 6.809 14.669 ( -2.340 -0.992 -0.147) 2.546 14.974 ( 1.203 -0.393 3.331) 3.563 15.180 ( -3.567 -2.527 2.592) 5.082 16.461 ( -0.415 4.767 -1.082) 4.906 16.647 ( -4.803 -0.611 0.861) 4.917 17.068 ( -4.407 5.416 -2.602) 7.451 17.305 ( -10.956 -1.230 -0.985) 11.069 18.319 ( 4.510 3.511 -4.025) 6.991 18.507 ( -0.221 2.935 -3.811) 4.815 18.640 ( 6.824 -4.080 1.952) 8.187 18.977 ( -4.562 -2.877 7.902) 9.567 19.509 ( 5.393 4.410 -0.651) 6.997 19.709 ( 2.737 -0.837 1.383) 3.179 19.876 ( 0.568 -2.727 -0.764) 2.888 20.147 ( -6.836 -5.885 3.078) 9.531 21.106 ( 2.724 6.439 -1.049) 7.070 21.232 ( -2.541 3.577 -1.443) 4.619 21.505 ( 1.436 -5.845 -0.221) 6.023 21.666 ( -5.063 -10.160 -2.097) 11.544 ======================= Grid point 170 (66/144) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 0.000 2.189 -5.155) 5.601 2.817 ( -0.000 4.043 -2.317) 4.660 3.159 ( 0.000 -0.775 11.620) 11.646 3.162 ( -0.000 0.090 15.694) 15.694 4.167 ( 0.000 6.592 -8.604) 10.839 4.214 ( -0.000 1.107 -5.185) 5.302 4.269 ( 0.000 -1.838 -5.865) 6.146 4.284 ( -0.000 -1.656 -4.315) 4.622 5.054 ( 0.000 -0.041 0.364) 0.366 5.175 ( 0.000 0.987 7.906) 7.968 5.617 ( 0.000 -2.836 0.722) 2.926 5.703 ( -0.000 9.434 4.749) 10.562 6.169 ( 0.000 -3.295 -2.421) 4.089 6.321 ( 0.000 10.135 1.247) 10.212 6.529 ( 0.000 -0.743 -2.268) 2.386 6.614 ( -0.000 8.075 -0.115) 8.076 7.099 ( -0.000 -4.176 1.701) 4.509 7.141 ( 0.000 -11.527 1.836) 11.672 7.418 ( 0.000 -3.540 -7.880) 8.639 7.551 ( -0.000 1.724 0.598) 1.825 7.610 ( -0.000 -3.783 -4.696) 6.030 7.879 ( -0.000 -6.386 7.505) 9.854 8.033 ( 0.000 -7.646 -2.231) 7.964 8.127 ( 0.000 -9.010 3.911) 9.822 8.545 ( -0.000 -4.163 -6.408) 7.642 8.893 ( 0.000 -0.229 8.882) 8.885 9.484 ( 0.000 -1.152 -3.680) 3.856 9.648 ( 0.000 1.547 3.524) 3.849 9.758 ( -0.000 -2.180 -15.548) 15.700 10.315 ( 0.000 3.230 0.385) 3.253 10.466 ( 0.000 -4.125 6.355) 7.576 10.819 ( 0.000 1.297 12.123) 12.192 12.681 ( -0.000 2.378 -0.881) 2.536 12.702 ( 0.000 2.681 0.140) 2.685 12.816 ( 0.000 -0.819 -1.792) 1.970 12.823 ( -0.000 -1.699 -2.743) 3.227 13.385 ( 0.000 1.182 -7.287) 7.382 13.709 ( 0.000 4.430 6.334) 7.730 14.107 ( 0.000 1.659 -8.797) 8.953 14.354 ( 0.000 6.378 -1.495) 6.551 14.483 ( 0.000 0.116 1.420) 1.425 14.620 ( 0.000 7.149 3.558) 7.985 15.028 ( -0.000 -6.091 2.839) 6.720 15.107 ( 0.000 0.161 6.176) 6.179 16.480 ( -0.000 6.054 -2.810) 6.674 16.563 ( 0.000 3.817 0.583) 3.861 17.068 ( 0.000 -2.109 -3.523) 4.106 17.155 ( -0.000 0.780 0.733) 1.070 18.380 ( -0.000 4.771 -6.779) 8.290 18.484 ( 0.000 2.647 -1.940) 3.282 18.759 ( 0.000 -6.311 2.468) 6.777 18.890 ( 0.000 -1.657 8.473) 8.633 19.597 ( -0.000 5.874 -1.476) 6.057 19.690 ( 0.000 4.559 2.872) 5.388 19.939 ( 0.000 -9.417 -1.185) 9.491 20.035 ( -0.000 -5.554 3.286) 6.453 21.149 ( -0.000 5.979 -1.690) 6.213 21.190 ( 0.000 4.518 0.110) 4.520 21.553 ( -0.000 -9.715 -2.445) 10.018 21.580 ( 0.000 -7.312 -1.062) 7.389 ======================= Grid point 176 (67/144) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.000 -9.617 1.808) 9.785 2.223 ( 0.000 9.617 1.808) 9.785 2.895 ( 0.000 -18.665 -3.959) 19.080 2.895 ( 0.000 18.665 -3.959) 19.080 4.199 ( 0.000 -2.163 3.753) 4.331 4.199 ( 0.000 2.163 3.753) 4.331 4.422 ( 0.000 -4.946 4.959) 7.004 4.422 ( 0.000 4.946 4.959) 7.004 4.846 ( 0.000 -4.049 -4.392) 5.973 4.846 ( 0.000 4.049 -4.392) 5.973 5.573 ( 0.000 -6.733 -0.611) 6.761 5.573 ( 0.000 6.733 -0.611) 6.761 6.020 ( 0.000 -3.767 2.040) 4.283 6.020 ( 0.000 3.767 2.040) 4.283 6.679 ( 0.000 -6.258 -2.340) 6.681 6.679 ( 0.000 6.258 -2.340) 6.681 6.926 ( 0.000 -4.357 -6.256) 7.623 6.926 ( 0.000 4.357 -6.256) 7.623 7.386 ( 0.000 -6.066 5.593) 8.251 7.386 ( 0.000 6.066 5.593) 8.251 7.675 ( 0.000 -0.331 9.346) 9.352 7.675 ( 0.000 0.331 9.346) 9.352 8.437 ( 0.000 -0.296 -0.055) 0.302 8.437 ( 0.000 0.296 -0.055) 0.302 9.217 ( 0.000 -7.254 -6.059) 9.452 9.217 ( 0.000 7.254 -6.059) 9.452 9.760 ( 0.000 -2.743 -2.990) 4.058 9.760 ( 0.000 2.743 -2.990) 4.058 10.473 ( 0.000 -0.030 0.295) 0.297 10.473 ( 0.000 0.030 0.295) 0.297 10.789 ( 0.000 -3.916 -3.054) 4.966 10.789 ( 0.000 3.916 -3.054) 4.966 11.491 ( 0.000 -3.020 0.329) 3.038 11.491 ( 0.000 3.020 0.329) 3.038 12.699 ( 0.000 -1.127 3.067) 3.268 12.699 ( 0.000 1.127 3.067) 3.268 13.630 ( 0.000 -2.774 4.135) 4.980 13.630 ( 0.000 2.774 4.135) 4.980 14.081 ( 0.000 -8.351 -1.252) 8.444 14.081 ( 0.000 8.351 -1.252) 8.444 14.748 ( 0.000 -3.609 4.689) 5.917 14.748 ( 0.000 3.609 4.689) 5.917 15.289 ( 0.000 -4.216 -3.867) 5.721 15.289 ( 0.000 4.216 -3.867) 5.721 16.784 ( 0.000 -0.093 -1.377) 1.380 16.784 ( 0.000 0.093 -1.377) 1.380 18.014 ( 0.000 -2.045 1.399) 2.478 18.014 ( 0.000 2.045 1.399) 2.478 18.192 ( 0.000 -5.467 2.566) 6.039 18.192 ( 0.000 5.467 2.566) 6.039 18.772 ( 0.000 -3.070 -3.564) 4.704 18.772 ( 0.000 3.070 -3.564) 4.704 19.442 ( 0.000 -0.421 -2.529) 2.563 19.442 ( 0.000 0.421 -2.529) 2.563 20.202 ( 0.000 -6.225 -1.351) 6.370 20.202 ( 0.000 6.225 -1.351) 6.370 21.099 ( 0.000 -10.686 -2.926) 11.079 21.099 ( 0.000 10.686 -2.926) 11.079 21.722 ( 0.000 -5.807 4.847) 7.564 21.722 ( 0.000 5.807 4.847) 7.564 ======================= Grid point 178 (68/144) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 5.772 0.000 -0.795) 5.827 2.327 ( 7.948 -0.000 2.665) 8.383 2.892 ( 2.009 -0.000 -3.173) 3.756 2.938 ( 2.147 0.000 -2.601) 3.372 4.114 ( -7.007 -0.000 3.815) 7.978 4.142 ( -3.494 0.000 4.535) 5.725 4.437 ( 3.699 -0.000 -1.020) 3.837 4.565 ( 7.772 0.000 6.917) 10.404 4.809 ( -1.300 0.000 -1.954) 2.348 4.872 ( 1.422 -0.000 -1.784) 2.281 5.506 ( -3.618 -0.000 -3.149) 4.796 5.586 ( -0.836 0.000 0.660) 1.065 5.994 ( 0.918 0.000 -1.371) 1.650 6.114 ( 4.908 0.000 4.776) 6.848 6.639 ( -1.964 0.000 -3.072) 3.646 6.664 ( -2.473 -0.000 -3.707) 4.456 6.919 ( -1.568 -0.000 -5.589) 5.804 6.934 ( 1.001 0.000 -3.813) 3.942 7.379 ( -0.046 -0.000 4.933) 4.933 7.412 ( 2.002 0.000 4.088) 4.552 7.678 ( 1.700 0.000 8.164) 8.339 7.720 ( 2.542 0.000 8.990) 9.343 8.342 ( -5.228 0.000 -3.288) 6.176 8.501 ( 1.842 0.000 4.713) 5.060 9.169 ( -4.657 0.000 -8.986) 10.121 9.179 ( -3.305 -0.000 -5.523) 6.436 9.715 ( -2.927 -0.000 2.052) 3.575 9.724 ( -3.754 0.000 -3.139) 4.893 10.410 ( -2.569 0.000 -3.394) 4.257 10.607 ( 6.134 -0.000 1.700) 6.366 10.692 ( -7.447 0.000 -5.164) 9.062 10.774 ( -1.778 -0.000 0.798) 1.949 11.496 ( 3.248 0.000 -2.587) 4.152 11.618 ( 9.978 -0.000 4.812) 11.077 12.696 ( 0.581 0.000 1.587) 1.690 12.724 ( 1.886 0.000 1.570) 2.454 13.585 ( -1.365 0.000 1.181) 1.805 13.700 ( 3.578 0.000 6.468) 7.392 14.051 ( 0.518 -0.000 -3.347) 3.386 14.177 ( 5.597 0.000 2.289) 6.046 14.711 ( 0.265 -0.000 1.097) 1.128 14.809 ( 1.615 0.000 4.902) 5.161 15.241 ( -4.345 -0.000 -3.592) 5.638 15.261 ( -2.690 0.000 -2.334) 3.561 16.700 ( -5.096 0.000 -3.342) 6.094 16.809 ( -0.506 0.000 1.820) 1.889 17.892 ( -8.536 0.000 -2.527) 8.902 18.045 ( -3.050 0.000 5.401) 6.203 18.141 ( -1.243 0.000 0.273) 1.273 18.200 ( 0.350 0.000 2.209) 2.236 18.751 ( -2.429 -0.000 -5.514) 6.025 18.837 ( 5.585 0.000 -1.395) 5.756 19.357 ( -2.516 0.000 -3.351) 4.191 19.475 ( -1.023 0.000 1.705) 1.989 20.088 ( -4.518 0.000 -5.924) 7.450 20.288 ( 2.218 0.000 3.291) 3.969 21.078 ( 0.511 -0.000 -4.466) 4.495 21.180 ( 4.499 0.000 -1.535) 4.754 21.677 ( -3.076 -0.000 3.790) 4.881 21.721 ( -1.305 0.000 4.367) 4.558 ======================= Grid point 180 (69/144) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 9.630 -0.000 -0.732) 9.658 2.497 ( 7.611 -0.000 2.069) 7.887 2.971 ( 0.891 -0.000 -2.197) 2.371 2.992 ( 7.616 0.000 -0.324) 7.623 3.995 ( -3.499 0.000 0.734) 3.575 4.079 ( -2.620 -0.000 5.315) 5.926 4.477 ( -0.822 -0.000 -6.253) 6.306 4.677 ( 2.015 0.000 4.262) 4.714 4.843 ( 5.263 0.000 3.968) 6.591 4.929 ( 4.236 -0.000 4.078) 5.880 5.460 ( -0.377 -0.000 -4.946) 4.961 5.567 ( 0.104 0.000 -0.674) 0.682 6.044 ( 3.591 0.000 -2.932) 4.636 6.197 ( 3.274 -0.000 5.663) 6.542 6.595 ( -3.745 0.000 -4.886) 6.156 6.622 ( 0.370 -0.000 -0.760) 0.845 6.859 ( -3.811 0.000 -5.396) 6.606 6.959 ( 1.352 0.000 -0.559) 1.463 7.383 ( 0.352 -0.000 2.360) 2.386 7.470 ( 3.631 0.000 0.919) 3.745 7.732 ( 3.177 0.000 6.518) 7.251 7.760 ( 1.270 0.000 5.651) 5.792 8.221 ( -6.827 0.000 -4.323) 8.080 8.487 ( -3.932 0.000 9.756) 10.519 9.040 ( -7.643 0.000 -11.083) 13.463 9.101 ( -3.963 -0.000 -5.734) 6.970 9.637 ( -4.210 0.000 -0.766) 4.279 9.655 ( -3.216 -0.000 5.551) 6.415 10.301 ( -9.156 0.000 -6.857) 11.440 10.540 ( -6.065 -0.000 -6.897) 9.184 10.600 ( -5.280 0.000 4.270) 6.790 10.809 ( 3.404 0.000 6.885) 7.680 11.644 ( 11.920 -0.000 -4.706) 12.815 11.877 ( 14.709 0.000 8.218) 16.849 12.731 ( 3.004 0.000 -2.024) 3.622 12.784 ( 4.034 0.000 -1.329) 4.248 13.569 ( -0.391 0.000 -1.810) 1.852 13.770 ( 3.238 0.000 7.613) 8.273 14.088 ( 2.494 0.000 -5.319) 5.875 14.290 ( 5.446 0.000 4.972) 7.374 14.737 ( 0.503 0.000 0.093) 0.512 14.781 ( -4.610 -0.000 2.713) 5.349 15.139 ( -4.143 -0.000 -2.870) 5.040 15.190 ( -4.173 0.000 -0.401) 4.192 16.596 ( -4.657 0.000 -3.636) 5.908 16.768 ( -3.300 0.000 4.860) 5.875 17.667 ( -13.221 0.000 -5.131) 14.182 17.853 ( -13.961 0.000 4.135) 14.560 18.159 ( 2.822 -0.000 -1.984) 3.450 18.270 ( 5.739 0.000 2.792) 6.382 18.674 ( -4.230 0.000 -8.441) 9.442 18.959 ( 5.038 0.000 4.658) 6.861 19.368 ( 3.158 0.000 -1.571) 3.528 19.446 ( -0.295 0.000 2.302) 2.321 20.020 ( -2.726 0.000 -6.613) 7.153 20.289 ( -2.023 0.000 6.057) 6.386 21.106 ( 1.971 -0.000 -5.011) 5.385 21.251 ( 1.983 0.000 -0.430) 2.029 21.610 ( -3.187 -0.000 1.653) 3.590 21.672 ( -3.466 0.000 2.722) 4.407 ======================= Grid point 182 (70/144) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 3.838 -0.000 1.278) 4.045 2.655 ( 12.258 0.000 4.481) 13.051 2.966 ( -1.558 -0.000 -3.972) 4.267 3.167 ( 8.291 0.000 3.431) 8.973 3.997 ( 3.518 0.000 -2.938) 4.584 4.040 ( -0.832 -0.000 3.922) 4.009 4.424 ( -3.593 -0.000 -6.618) 7.530 4.636 ( -5.855 -0.000 1.875) 6.148 4.991 ( 8.118 -0.000 6.254) 10.248 5.005 ( 2.508 0.000 3.308) 4.151 5.491 ( 2.970 0.000 -5.247) 6.029 5.635 ( 6.686 -0.000 0.784) 6.732 6.119 ( 2.923 0.000 -2.368) 3.762 6.260 ( 3.364 0.000 5.015) 6.039 6.547 ( 0.393 0.000 -3.562) 3.583 6.639 ( 0.796 -0.000 3.148) 3.247 6.800 ( -0.992 -0.000 -6.352) 6.429 6.983 ( 0.858 0.000 1.614) 1.828 7.385 ( -0.404 0.000 -2.846) 2.874 7.550 ( 3.864 0.000 -1.775) 4.252 7.772 ( -0.170 -0.000 0.768) 0.786 7.789 ( 2.104 0.000 4.658) 5.111 8.071 ( -7.265 -0.000 -2.766) 7.774 8.328 ( -11.443 0.000 11.640) 16.323 8.864 ( -9.858 0.000 -9.997) 14.039 9.022 ( -4.149 0.000 -1.495) 4.410 9.577 ( -1.246 0.000 -0.408) 1.311 9.577 ( -4.267 -0.000 3.170) 5.316 10.072 ( -11.833 0.000 -8.369) 14.493 10.448 ( -3.552 -0.000 -8.442) 9.159 10.490 ( -4.625 0.000 10.931) 11.869 10.844 ( 0.294 0.000 9.633) 9.637 11.969 ( 19.177 -0.000 -3.938) 19.577 12.188 ( 15.614 0.000 7.804) 17.455 12.813 ( 4.596 0.000 -5.323) 7.033 12.871 ( 3.799 0.000 -3.289) 5.025 13.556 ( -1.491 0.000 -5.108) 5.321 13.820 ( 1.076 0.000 7.273) 7.352 14.122 ( 0.303 0.000 -7.456) 7.462 14.403 ( 5.815 0.000 6.675) 8.853 14.645 ( -7.693 0.000 2.301) 8.029 14.674 ( -5.638 -0.000 2.126) 6.026 15.089 ( -5.704 0.000 -1.968) 6.034 15.124 ( 1.703 0.000 0.017) 1.703 16.529 ( -1.657 -0.000 -2.791) 3.246 16.687 ( -4.249 0.000 5.441) 6.903 17.385 ( -13.773 0.000 -6.309) 15.149 17.545 ( -15.229 -0.000 2.081) 15.370 18.244 ( 5.219 0.000 -3.866) 6.495 18.410 ( 7.818 0.000 3.904) 8.739 18.606 ( -2.506 0.000 -8.896) 9.242 19.005 ( -0.658 0.000 9.555) 9.578 19.464 ( 5.987 -0.000 -0.803) 6.041 19.498 ( 5.298 0.000 0.753) 5.351 19.962 ( -3.178 0.000 -4.933) 5.868 20.211 ( -5.559 -0.000 6.733) 8.731 21.152 ( 2.518 -0.000 -4.123) 4.831 21.259 ( -0.701 0.000 -0.413) 0.814 21.554 ( -2.310 -0.000 0.264) 2.325 21.586 ( -4.793 0.000 0.669) 4.839 ======================= Grid point 184 (71/144) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.678 ( 3.157 0.000 -1.582) 3.532 2.909 ( -3.679 0.000 -4.071) 5.487 2.918 ( 13.173 -0.000 10.497) 16.843 3.264 ( 0.013 0.000 10.092) 10.092 4.073 ( 4.821 0.000 -1.090) 4.943 4.109 ( 6.614 0.000 -5.412) 8.546 4.343 ( -4.415 0.000 -6.251) 7.653 4.459 ( -10.732 0.000 -1.731) 10.871 5.036 ( 0.937 0.000 -0.201) 0.958 5.133 ( 5.250 0.000 7.296) 8.988 5.557 ( 2.972 0.000 -3.335) 4.467 5.778 ( 5.621 -0.000 6.580) 8.654 6.132 ( -1.326 0.000 -2.759) 3.061 6.340 ( 4.042 0.000 2.683) 4.851 6.647 ( 0.397 0.000 2.289) 2.323 6.652 ( 9.326 -0.000 -1.174) 9.399 6.845 ( 5.115 -0.000 -4.924) 7.100 6.979 ( -1.921 0.000 2.059) 2.815 7.372 ( -0.323 0.000 -8.326) 8.332 7.599 ( 0.048 0.000 -2.581) 2.581 7.714 ( -6.119 0.000 -3.130) 6.873 7.817 ( 0.925 -0.000 4.496) 4.590 7.997 ( 1.137 -0.000 1.140) 1.610 8.066 ( -12.255 0.000 8.582) 14.962 8.645 ( -10.791 0.000 -7.667) 13.237 8.935 ( -3.899 0.000 5.925) 7.093 9.502 ( -2.732 0.000 -1.713) 3.225 9.596 ( 2.980 0.000 -1.631) 3.397 9.859 ( -8.872 0.000 -9.755) 13.186 10.389 ( -2.190 0.000 -8.757) 9.027 10.424 ( -1.956 0.000 14.865) 14.993 10.838 ( -0.534 0.000 11.927) 11.939 12.383 ( 20.607 -0.000 -1.796) 20.686 12.500 ( 14.799 0.000 4.279) 15.405 12.880 ( 0.593 0.000 -5.408) 5.441 12.900 ( -1.830 0.000 -3.333) 3.802 13.483 ( -5.784 0.000 -7.290) 9.305 13.795 ( -3.074 0.000 6.622) 7.301 14.113 ( -0.185 0.000 -8.947) 8.949 14.479 ( -0.354 0.000 7.117) 7.126 14.505 ( -5.670 0.000 -1.456) 5.854 14.639 ( 4.745 -0.000 5.117) 6.979 14.979 ( -4.422 -0.000 -2.772) 5.219 15.138 ( -1.180 0.000 5.265) 5.396 16.528 ( 1.215 -0.000 -2.218) 2.529 16.619 ( -1.967 0.000 2.246) 2.985 17.143 ( -9.296 0.000 -5.487) 10.795 17.275 ( -10.433 -0.000 1.388) 10.525 18.357 ( 5.565 0.000 -5.912) 8.119 18.558 ( -2.611 -0.000 -7.294) 7.748 18.575 ( 7.984 0.000 4.615) 9.222 18.947 ( -4.503 0.000 10.265) 11.209 19.601 ( 7.149 -0.000 -0.351) 7.158 19.631 ( 7.036 0.000 0.909) 7.094 19.886 ( -4.429 0.000 -2.906) 5.298 20.074 ( -7.365 -0.000 5.774) 9.358 21.208 ( 2.862 -0.000 -2.638) 3.892 21.242 ( -0.676 0.000 -1.470) 1.618 21.487 ( -4.563 -0.000 -1.190) 4.716 21.514 ( -1.579 0.000 0.438) 1.638 ======================= Grid point 186 (72/144) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.724 ( 0.000 0.000 -5.179) 5.179 2.855 ( 0.000 0.000 -1.722) 1.722 3.151 ( 0.000 0.000 11.091) 11.091 3.166 ( 0.000 0.000 15.766) 15.766 4.232 ( 0.000 -0.000 -2.923) 2.923 4.239 ( -0.000 0.000 -8.811) 8.811 4.239 ( -0.000 0.000 -5.011) 5.011 4.240 ( 0.000 -0.000 -3.675) 3.675 5.046 ( 0.000 0.000 -1.157) 1.157 5.188 ( 0.000 0.000 7.518) 7.518 5.591 ( 0.000 0.000 -1.175) 1.175 5.835 ( 0.000 0.000 9.062) 9.062 6.109 ( 0.000 0.000 -3.886) 3.886 6.386 ( 0.000 0.000 1.455) 1.455 6.656 ( 0.000 0.000 2.286) 2.286 6.820 ( -0.000 0.000 5.521) 5.521 6.908 ( 0.000 0.000 -5.556) 5.556 6.932 ( 0.000 -0.000 -6.102) 6.102 7.377 ( 0.000 0.000 -8.374) 8.374 7.568 ( 0.000 0.000 0.165) 0.165 7.620 ( 0.000 0.000 -3.672) 3.672 7.830 ( 0.000 0.000 9.642) 9.642 7.930 ( 0.000 0.000 -0.248) 0.248 8.038 ( 0.000 0.000 2.647) 2.647 8.509 ( 0.000 0.000 -7.358) 7.358 8.890 ( 0.000 0.000 9.309) 9.309 9.474 ( 0.000 0.000 -3.807) 3.807 9.663 ( 0.000 0.000 4.078) 4.078 9.735 ( -0.000 0.000 -16.523) 16.523 10.366 ( 0.000 0.000 -8.666) 8.666 10.405 ( 0.000 0.000 15.670) 15.670 10.832 ( 0.000 0.000 13.055) 13.055 12.709 ( 0.000 0.000 -1.465) 1.465 12.735 ( 0.000 0.000 0.137) 0.137 12.799 ( -0.000 0.000 -2.817) 2.817 12.804 ( -0.000 0.000 -0.922) 0.922 13.396 ( 0.000 0.000 -8.198) 8.198 13.751 ( 0.000 0.000 6.930) 6.930 14.121 ( 0.000 0.000 -9.936) 9.936 14.438 ( -0.000 0.000 -5.461) 5.461 14.463 ( 0.000 -0.000 5.012) 5.012 14.727 ( -0.000 0.000 8.422) 8.422 14.932 ( 0.000 0.000 -1.808) 1.808 15.106 ( 0.000 0.000 7.669) 7.669 16.549 ( 0.000 0.000 -2.290) 2.290 16.604 ( 0.000 0.000 -0.366) 0.366 17.041 ( 0.000 0.000 -4.334) 4.334 17.161 ( 0.000 0.000 1.473) 1.473 18.438 ( 0.000 0.000 -9.299) 9.299 18.510 ( 0.000 0.000 -3.864) 3.864 18.684 ( 0.000 0.000 4.219) 4.219 18.873 ( 0.000 0.000 10.755) 10.755 19.701 ( 0.000 0.000 -0.147) 0.147 19.745 ( 0.000 0.000 1.958) 1.958 19.801 ( 0.000 0.000 -2.861) 2.861 19.971 ( 0.000 0.000 5.080) 5.080 21.235 ( 0.000 0.000 -2.090) 2.090 21.246 ( 0.000 0.000 -1.558) 1.558 21.431 ( 0.000 0.000 -2.341) 2.341 21.497 ( 0.000 0.000 0.804) 0.804 ======================= Grid point 242 (73/144) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 31.702) 31.702 1.453 ( 0.000 0.000 31.795) 31.795 2.316 ( 0.000 0.000 -7.577) 7.577 2.353 ( 0.000 0.000 -14.253) 14.253 2.385 ( 0.000 0.000 57.007) 57.007 4.125 ( 0.000 0.000 11.465) 11.465 4.279 ( 0.000 0.000 -37.807) 37.807 4.453 ( 0.000 0.000 9.255) 9.255 4.533 ( 0.000 0.000 -8.340) 8.340 4.989 ( 0.000 0.000 -11.246) 11.246 5.316 ( 0.000 0.000 4.943) 4.943 5.623 ( 0.000 0.000 -10.246) 10.246 5.976 ( 0.000 0.000 16.847) 16.847 6.473 ( 0.000 0.000 -4.302) 4.302 6.492 ( 0.000 0.000 4.829) 4.829 7.052 ( 0.000 0.000 -20.478) 20.478 7.216 ( 0.000 0.000 -3.716) 3.716 7.274 ( 0.000 0.000 -10.001) 10.001 7.471 ( 0.000 0.000 13.312) 13.312 8.033 ( 0.000 0.000 13.171) 13.171 8.071 ( 0.000 0.000 -13.529) 13.529 8.435 ( 0.000 0.000 13.573) 13.573 8.585 ( 0.000 0.000 -10.370) 10.370 8.726 ( 0.000 0.000 1.113) 1.113 9.020 ( 0.000 0.000 -0.051) 0.051 9.087 ( 0.000 0.000 -2.015) 2.015 9.721 ( 0.000 0.000 9.213) 9.213 10.040 ( 0.000 0.000 -7.012) 7.012 10.219 ( 0.000 0.000 3.049) 3.049 10.408 ( 0.000 0.000 -6.216) 6.216 11.109 ( 0.000 0.000 1.353) 1.353 11.255 ( 0.000 0.000 -4.901) 4.901 11.399 ( 0.000 0.000 4.911) 4.911 11.526 ( 0.000 0.000 -1.604) 1.604 12.997 ( 0.000 0.000 2.070) 2.070 13.020 ( 0.000 0.000 8.482) 8.482 13.086 ( 0.000 0.000 -2.073) 2.073 13.248 ( 0.000 0.000 -2.028) 2.028 14.330 ( 0.000 0.000 1.597) 1.597 14.366 ( 0.000 0.000 0.411) 0.411 14.898 ( 0.000 0.000 10.261) 10.261 15.037 ( 0.000 0.000 1.036) 1.036 15.050 ( 0.000 0.000 0.511) 0.511 15.356 ( 0.000 0.000 -11.205) 11.205 16.803 ( 0.000 0.000 1.170) 1.170 16.907 ( 0.000 0.000 -3.582) 3.582 17.713 ( 0.000 0.000 0.660) 0.660 17.776 ( 0.000 0.000 -2.779) 2.779 17.904 ( 0.000 0.000 0.379) 0.379 17.930 ( 0.000 0.000 -0.726) 0.726 18.390 ( 0.000 0.000 9.603) 9.603 18.785 ( 0.000 0.000 -9.440) 9.440 19.325 ( 0.000 0.000 2.845) 2.845 19.454 ( 0.000 0.000 -3.182) 3.182 20.342 ( 0.000 0.000 3.362) 3.362 20.452 ( 0.000 0.000 -1.957) 1.957 20.453 ( 0.000 0.000 1.415) 1.415 20.494 ( 0.000 0.000 -0.546) 0.546 22.423 ( 0.000 0.000 2.650) 2.650 22.538 ( 0.000 0.000 -2.701) 2.701 ======================= Grid point 243 (74/144) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -0.341 0.000 32.091) 32.093 1.459 ( 7.517 0.000 28.083) 29.071 2.374 ( 5.229 0.000 -10.661) 11.874 2.384 ( 2.963 0.000 -14.442) 14.743 2.602 ( 18.040 0.000 46.136) 49.537 3.975 ( -8.565 0.000 -7.123) 11.140 4.361 ( 4.468 0.000 -0.822) 4.543 4.560 ( 7.530 0.000 -3.236) 8.196 4.644 ( 8.365 0.000 -9.409) 12.590 4.999 ( 0.877 0.000 -10.869) 10.904 5.390 ( 7.568 0.000 2.628) 8.011 5.612 ( -0.605 0.000 -8.685) 8.706 5.999 ( 2.037 0.000 14.804) 14.944 6.394 ( -6.921 0.000 -0.225) 6.924 6.550 ( 5.151 0.000 0.049) 5.151 7.045 ( -2.893 0.000 -16.833) 17.080 7.160 ( -2.867 0.000 -5.290) 6.017 7.212 ( -2.788 0.000 -5.932) 6.554 7.609 ( 9.861 0.000 9.427) 13.642 7.902 ( -7.517 0.000 9.826) 12.372 8.202 ( 7.355 0.000 -9.275) 11.837 8.355 ( -6.802 0.000 6.535) 9.432 8.617 ( 2.514 0.000 -4.022) 4.743 8.698 ( -2.765 0.000 2.182) 3.522 9.021 ( 0.371 0.000 -0.567) 0.677 9.079 ( -0.840 0.000 -2.429) 2.571 9.723 ( -0.118 0.000 6.901) 6.902 9.955 ( -7.662 0.000 -4.449) 8.860 10.215 ( -0.060 0.000 1.580) 1.581 10.323 ( -7.074 0.000 -2.659) 7.557 11.135 ( -16.340 0.000 9.596) 18.949 11.218 ( 9.333 0.000 3.126) 9.843 11.402 ( -10.231 0.000 -2.684) 10.577 11.456 ( 12.547 0.000 -5.492) 13.697 12.928 ( -4.325 0.000 5.287) 6.830 13.038 ( 1.421 0.000 6.493) 6.647 13.118 ( 2.817 0.000 -1.314) 3.108 13.339 ( 5.904 0.000 -4.810) 7.615 14.350 ( 1.046 0.000 2.053) 2.305 14.391 ( 2.098 0.000 0.437) 2.143 14.689 ( -13.922 0.000 11.312) 17.939 14.950 ( -8.115 0.000 -0.407) 8.126 15.084 ( -0.679 0.000 1.975) 2.088 15.253 ( -9.761 0.000 -8.001) 12.622 16.756 ( -4.277 0.000 1.107) 4.418 16.840 ( -5.744 0.000 -1.801) 6.020 17.408 ( -16.428 0.000 7.569) 18.088 17.603 ( -7.616 0.000 -3.199) 8.261 18.067 ( 2.910 0.000 4.024) 4.966 18.068 ( 9.667 0.000 1.779) 9.829 18.571 ( 12.155 0.000 -5.581) 13.376 18.691 ( -6.785 0.000 -6.828) 9.626 19.408 ( 6.019 0.000 1.838) 6.294 19.501 ( 2.963 0.000 -2.363) 3.790 20.412 ( 6.083 0.000 3.804) 7.175 20.442 ( -0.509 0.000 1.984) 2.049 20.509 ( 1.829 0.000 -0.525) 1.903 20.618 ( 13.494 0.000 -7.075) 15.236 22.367 ( -5.234 0.000 1.585) 5.469 22.440 ( -8.407 0.000 -1.664) 8.570 ======================= Grid point 244 (75/144) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 9.806 0.000 21.043) 23.216 1.650 ( 10.514 0.000 19.500) 22.154 2.453 ( 3.541 0.000 -14.777) 15.195 2.501 ( 6.525 0.000 -17.329) 18.517 3.006 ( 20.070 0.000 33.183) 38.780 3.851 ( -3.401 0.000 -3.637) 4.979 4.463 ( 5.538 0.000 7.101) 9.005 4.667 ( 2.757 0.000 -3.155) 4.189 4.765 ( 2.042 0.000 -9.337) 9.558 5.011 ( -0.013 0.000 -8.331) 8.331 5.613 ( 13.230 0.000 1.428) 13.307 5.642 ( 4.691 0.000 -3.244) 5.704 6.043 ( 1.901 0.000 7.507) 7.745 6.217 ( -9.704 0.000 1.827) 9.875 6.689 ( 7.709 0.000 -6.498) 10.082 6.897 ( -9.016 0.000 -8.281) 12.242 7.168 ( 1.721 0.000 -6.272) 6.503 7.193 ( 0.602 0.000 -1.918) 2.010 7.747 ( -7.437 0.000 12.876) 14.870 7.799 ( 7.570 0.000 9.456) 12.113 8.193 ( -8.236 0.000 -0.870) 8.282 8.346 ( 6.361 0.000 -12.103) 13.673 8.623 ( -4.074 0.000 4.123) 5.796 8.681 ( 3.900 0.000 0.127) 3.902 9.041 ( 1.561 0.000 -1.298) 2.030 9.050 ( -2.177 0.000 -3.006) 3.712 9.703 ( -2.062 0.000 2.730) 3.421 9.775 ( -8.940 0.000 0.221) 8.943 10.162 ( -8.138 0.000 4.174) 9.146 10.227 ( 1.074 0.000 -1.438) 1.795 10.818 ( -12.382 0.000 9.631) 15.687 11.094 ( -14.776 0.000 -1.979) 14.908 11.536 ( 17.354 0.000 3.500) 17.704 11.784 ( 18.245 0.000 -7.200) 19.614 12.856 ( -2.748 0.000 7.795) 8.265 13.061 ( 0.426 0.000 5.006) 5.024 13.186 ( 3.790 0.000 -3.428) 5.110 13.424 ( 1.909 0.000 -7.143) 7.394 14.273 ( -10.008 0.000 10.255) 14.329 14.411 ( -2.366 0.000 0.799) 2.497 14.514 ( -1.400 0.000 4.626) 4.833 14.737 ( -11.467 0.000 -1.755) 11.600 15.010 ( -12.032 0.000 -2.665) 12.324 15.013 ( -5.529 0.000 -0.421) 5.545 16.652 ( -5.461 0.000 1.612) 5.694 16.723 ( -5.059 0.000 0.119) 5.060 17.164 ( -9.104 0.000 6.464) 11.165 17.436 ( -8.938 0.000 -5.626) 10.561 18.089 ( 0.330 0.000 5.735) 5.744 18.238 ( 5.375 0.000 -0.136) 5.377 18.604 ( 0.125 0.000 -0.936) 0.944 18.781 ( 8.995 0.000 -8.890) 12.647 19.512 ( 3.765 0.000 0.689) 3.827 19.530 ( -0.276 0.000 0.209) 0.346 20.427 ( -0.871 0.000 2.487) 2.635 20.489 ( 0.840 0.000 0.144) 0.853 20.632 ( 9.782 0.000 4.360) 10.710 20.892 ( 11.625 0.000 -8.291) 14.279 22.232 ( -7.388 0.000 -0.865) 7.439 22.256 ( -8.738 0.000 -2.802) 9.176 ======================= Grid point 245 (76/144) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 13.621 0.000 5.660) 14.751 1.860 ( 9.736 0.000 9.102) 13.328 2.515 ( 2.399 0.000 -11.547) 11.794 2.610 ( 3.716 0.000 -20.231) 20.570 3.381 ( 16.630 0.000 23.878) 29.098 3.833 ( 1.281 0.000 1.998) 2.373 4.539 ( 0.174 0.000 13.457) 13.458 4.712 ( -6.371 0.000 -8.137) 10.334 4.733 ( 5.928 0.000 -8.342) 10.234 5.016 ( 0.815 0.000 -5.740) 5.798 5.790 ( 7.387 0.000 3.881) 8.344 5.833 ( 4.812 0.000 9.771) 10.892 6.045 ( -5.118 0.000 1.008) 5.217 6.092 ( 5.092 0.000 -6.967) 8.629 6.759 ( -3.355 0.000 -3.674) 4.975 6.823 ( 4.722 0.000 -10.284) 11.316 7.179 ( -1.419 0.000 -1.220) 1.871 7.220 ( 1.601 0.000 1.328) 2.080 7.624 ( -4.095 0.000 12.525) 13.178 7.818 ( -7.139 0.000 8.006) 10.727 8.119 ( 2.781 0.000 -3.593) 4.544 8.422 ( -0.116 0.000 -12.001) 12.002 8.577 ( 0.901 0.000 4.855) 4.938 8.778 ( 5.434 0.000 0.881) 5.505 8.990 ( -3.546 0.000 -1.701) 3.933 9.076 ( 1.581 0.000 -1.175) 1.970 9.625 ( -5.553 0.000 2.068) 5.926 9.646 ( -3.236 0.000 0.409) 3.261 10.020 ( -5.244 0.000 6.749) 8.547 10.234 ( -1.321 0.000 -5.018) 5.189 10.655 ( -4.043 0.000 5.417) 6.759 10.828 ( -10.154 0.000 -1.017) 10.204 11.926 ( 20.338 0.000 3.781) 20.686 12.161 ( 18.276 0.000 -7.155) 19.627 12.818 ( -0.791 0.000 9.052) 9.086 13.041 ( -2.453 0.000 4.568) 5.185 13.266 ( 3.695 0.000 -7.844) 8.671 13.397 ( -4.975 0.000 -7.053) 8.631 14.064 ( -8.941 0.000 9.223) 12.845 14.193 ( -17.396 0.000 3.014) 17.655 14.507 ( -1.543 0.000 1.034) 1.857 14.557 ( -7.209 0.000 -0.754) 7.249 14.858 ( -2.094 0.000 -0.661) 2.196 14.904 ( -4.043 0.000 -2.459) 4.732 16.548 ( -4.560 0.000 3.053) 5.488 16.633 ( -4.245 0.000 1.312) 4.443 17.012 ( -5.746 0.000 3.487) 6.721 17.248 ( -9.120 0.000 -5.822) 10.820 18.096 ( 0.449 0.000 4.402) 4.425 18.257 ( -2.217 0.000 -3.007) 3.736 18.718 ( 9.531 0.000 4.145) 10.393 18.955 ( 8.282 0.000 -6.700) 10.653 19.496 ( -2.811 0.000 2.039) 3.473 19.555 ( 0.397 0.000 -0.825) 0.916 20.410 ( -0.704 0.000 2.272) 2.378 20.484 ( -1.058 0.000 -0.902) 1.390 20.832 ( 9.172 0.000 6.558) 11.275 21.062 ( 5.255 0.000 -3.080) 6.091 22.092 ( -5.931 0.000 -3.537) 6.906 22.106 ( -5.843 0.000 -5.973) 8.356 ======================= Grid point 246 (77/144) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 9.056 0.000 -5.859) 10.786 2.030 ( 6.553 0.000 -1.121) 6.648 2.553 ( 1.684 0.000 -6.376) 6.594 2.641 ( -0.673 0.000 -14.569) 14.584 3.676 ( 12.157 0.000 16.088) 20.165 3.873 ( 1.637 0.000 1.761) 2.405 4.496 ( -2.750 0.000 14.855) 15.107 4.566 ( -6.695 0.000 -2.948) 7.315 4.889 ( 7.791 0.000 -9.150) 12.018 5.031 ( 0.198 0.000 -5.722) 5.726 5.792 ( -4.416 0.000 4.760) 6.493 5.796 ( -4.866 0.000 6.299) 7.960 6.125 ( 9.360 0.000 1.872) 9.545 6.238 ( 6.004 0.000 -3.570) 6.986 6.779 ( 4.899 0.000 -3.011) 5.750 6.875 ( 0.874 0.000 -6.940) 6.994 7.111 ( -4.089 0.000 0.645) 4.139 7.221 ( -3.013 0.000 -3.091) 4.317 7.583 ( -0.616 0.000 10.422) 10.440 7.641 ( -7.047 0.000 8.322) 10.904 8.213 ( 4.864 0.000 -3.598) 6.050 8.373 ( -3.367 0.000 -7.803) 8.499 8.639 ( 4.121 0.000 2.530) 4.836 8.833 ( -2.806 0.000 -1.252) 3.072 8.964 ( 3.438 0.000 3.329) 4.786 9.092 ( -0.393 0.000 0.059) 0.398 9.551 ( -1.833 0.000 1.600) 2.433 9.583 ( -2.688 0.000 0.232) 2.698 9.969 ( 0.346 0.000 3.034) 3.054 10.152 ( -6.167 0.000 -6.030) 8.625 10.629 ( 0.787 0.000 3.582) 3.668 10.702 ( -3.001 0.000 0.882) 3.128 12.331 ( 18.652 0.000 1.693) 18.729 12.494 ( 13.143 0.000 -6.203) 14.533 12.842 ( 3.887 0.000 8.662) 9.495 12.972 ( -3.749 0.000 4.283) 5.692 13.231 ( -10.349 0.000 -2.232) 10.587 13.288 ( -3.644 0.000 -7.448) 8.292 13.872 ( -10.424 0.000 1.805) 10.579 13.919 ( -5.778 0.000 0.236) 5.783 14.426 ( -4.950 0.000 0.458) 4.971 14.436 ( -4.455 0.000 -0.538) 4.487 14.868 ( 1.403 0.000 -0.075) 1.405 14.871 ( 0.312 0.000 -0.706) 0.772 16.479 ( -1.939 0.000 4.339) 4.752 16.544 ( -4.275 0.000 3.251) 5.371 16.943 ( -0.898 0.000 -0.151) 0.911 17.081 ( -7.033 0.000 -4.906) 8.575 18.111 ( 1.113 0.000 2.486) 2.723 18.198 ( -3.062 0.000 -1.616) 3.462 18.927 ( 10.151 0.000 4.541) 11.121 19.102 ( 5.079 0.000 -2.715) 5.760 19.432 ( -2.592 0.000 1.380) 2.937 19.526 ( -3.158 0.000 -2.243) 3.874 20.404 ( 0.198 0.000 1.238) 1.254 20.453 ( -1.802 0.000 -0.853) 1.994 20.990 ( 6.279 0.000 6.957) 9.372 21.116 ( 0.334 0.000 2.252) 2.277 22.004 ( -2.658 0.000 -5.876) 6.449 22.017 ( -3.004 0.000 -7.844) 8.399 ======================= Grid point 247 (78/144) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -0.001 0.000 -8.417) 8.417 2.104 ( 0.001 0.000 -8.417) 8.417 2.599 ( -1.290 0.000 -6.406) 6.534 2.599 ( 1.290 0.000 -6.406) 6.534 3.852 ( -3.399 0.000 5.830) 6.749 3.852 ( 3.399 0.000 5.830) 6.749 4.477 ( -1.419 0.000 8.216) 8.338 4.477 ( 1.419 0.000 8.216) 8.338 5.005 ( -1.740 0.000 -7.353) 7.557 5.005 ( 1.740 0.000 -7.353) 7.557 5.736 ( -0.001 0.000 3.472) 3.472 5.736 ( 0.001 0.000 3.472) 3.472 6.269 ( -1.414 0.000 1.808) 2.295 6.269 ( 1.414 0.000 1.808) 2.295 6.874 ( -0.342 0.000 -3.261) 3.279 6.874 ( 0.342 0.000 -3.261) 3.279 7.104 ( -1.774 0.000 -3.866) 4.253 7.104 ( 1.774 0.000 -3.866) 4.253 7.578 ( -0.010 0.000 9.773) 9.773 7.578 ( 0.010 0.000 9.773) 9.773 8.301 ( -1.197 0.000 -6.098) 6.214 8.301 ( 1.197 0.000 -6.098) 6.214 8.735 ( -1.226 0.000 1.920) 2.278 8.735 ( 1.226 0.000 1.920) 2.278 9.052 ( -1.301 0.000 1.901) 2.303 9.052 ( 1.301 0.000 1.901) 2.303 9.544 ( -0.271 0.000 0.859) 0.901 9.544 ( 0.271 0.000 0.859) 0.901 10.028 ( -1.663 0.000 -2.540) 3.036 10.028 ( 1.663 0.000 -2.540) 3.036 10.660 ( -0.863 0.000 2.209) 2.371 10.660 ( 0.863 0.000 2.209) 2.371 12.601 ( -2.983 0.000 -2.711) 4.031 12.601 ( 2.983 0.000 -2.711) 4.031 12.933 ( -0.453 0.000 5.325) 5.344 12.933 ( 0.453 0.000 5.325) 5.344 13.126 ( -5.411 0.000 0.499) 5.434 13.126 ( 5.411 0.000 0.499) 5.434 13.821 ( -1.013 0.000 -4.940) 5.043 13.821 ( 1.013 0.000 -4.940) 5.043 14.378 ( -0.013 0.000 0.661) 0.661 14.378 ( 0.013 0.000 0.661) 0.661 14.882 ( -0.009 0.000 0.226) 0.226 14.882 ( 0.009 0.000 0.226) 0.226 16.477 ( -0.478 0.000 4.483) 4.508 16.477 ( 0.478 0.000 4.483) 4.508 16.972 ( -2.795 0.000 -3.084) 4.162 16.972 ( 2.795 0.000 -3.084) 4.162 18.144 ( -0.827 0.000 0.433) 0.934 18.144 ( 0.827 0.000 0.433) 0.934 19.098 ( -4.502 0.000 3.131) 5.484 19.098 ( 4.503 0.000 3.131) 5.484 19.445 ( -3.734 0.000 -2.363) 4.419 19.445 ( 3.734 0.000 -2.363) 4.419 20.420 ( -1.321 0.000 -0.028) 1.321 20.420 ( 1.321 0.000 -0.028) 1.321 21.085 ( -1.997 0.000 5.592) 5.938 21.085 ( 1.997 0.000 5.592) 5.938 21.982 ( -0.067 0.000 -7.545) 7.545 21.982 ( 0.067 0.000 -7.545) 7.545 ======================= Grid point 253 (79/144) ======================= q-point: ( 0.00 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.000 7.261 28.968) 29.865 1.619 ( 0.000 19.437 28.305) 34.337 2.335 ( 0.000 2.128 -7.215) 7.522 2.532 ( 0.000 16.957 -14.242) 22.144 2.608 ( 0.000 23.537 45.325) 51.072 4.134 ( 0.000 -10.583 -28.551) 30.449 4.175 ( 0.000 4.700 11.150) 12.100 4.456 ( 0.000 0.180 8.904) 8.905 4.613 ( 0.000 5.146 -8.897) 10.278 5.010 ( 0.000 1.116 -13.355) 13.401 5.334 ( 0.000 1.932 4.334) 4.745 5.609 ( 0.000 -2.717 -6.668) 7.200 5.918 ( 0.000 -3.364 11.668) 12.143 6.369 ( 0.000 -8.568 -6.712) 10.884 6.560 ( 0.000 5.450 4.569) 7.112 7.075 ( 0.000 -2.456 -8.132) 8.495 7.186 ( 0.000 -3.632 3.349) 4.940 7.277 ( 0.000 3.384 -18.079) 18.393 7.444 ( 0.000 -2.053 4.343) 4.804 7.951 ( 0.000 -19.293 -12.986) 23.257 7.994 ( 0.000 -3.371 10.286) 10.824 8.244 ( 0.000 -11.631 2.986) 12.008 8.440 ( 0.000 0.653 14.204) 14.219 8.918 ( 0.000 -0.117 -3.729) 3.731 9.015 ( 0.000 4.884 -5.623) 7.448 9.024 ( 0.000 -5.133 -0.970) 5.224 9.823 ( 0.000 8.497 8.300) 11.878 10.053 ( 0.000 -0.484 -2.371) 2.420 10.242 ( 0.000 2.420 2.851) 3.740 10.400 ( 0.000 0.748 -3.626) 3.702 10.988 ( 0.000 -10.257 5.573) 11.673 11.179 ( 0.000 -7.796 -3.747) 8.650 11.411 ( 0.000 1.521 2.402) 2.843 11.537 ( 0.000 1.039 -3.174) 3.340 12.906 ( 0.000 -1.991 6.931) 7.212 13.072 ( 0.000 -1.740 -1.875) 2.558 13.251 ( 0.000 13.647 -3.469) 14.081 13.282 ( 0.000 3.859 -1.323) 4.080 14.214 ( 0.000 -10.525 3.049) 10.957 14.305 ( 0.000 -5.080 -0.505) 5.105 14.800 ( 0.000 -4.041 9.435) 10.264 15.066 ( 0.000 0.410 1.076) 1.152 15.224 ( 0.000 11.587 0.821) 11.616 15.348 ( 0.000 -1.017 -8.249) 8.312 16.739 ( 0.000 -4.364 1.149) 4.513 16.829 ( 0.000 -6.369 -3.170) 7.114 17.757 ( 0.000 2.852 -0.386) 2.878 17.771 ( 0.000 0.460 -1.128) 1.218 17.968 ( 0.000 6.978 1.881) 7.228 18.070 ( 0.000 9.753 -0.878) 9.792 18.457 ( 0.000 6.613 1.380) 6.756 18.785 ( 0.000 -0.207 -9.598) 9.600 19.329 ( 0.000 0.510 2.044) 2.107 19.436 ( 0.000 -1.607 -2.726) 3.164 20.305 ( 0.000 -7.347 2.439) 7.742 20.305 ( 0.000 -1.990 1.550) 2.522 20.523 ( 0.000 5.377 2.834) 6.078 20.668 ( 0.000 9.874 -5.333) 11.222 22.375 ( 0.000 -4.879 2.276) 5.384 22.434 ( 0.000 -9.579 1.037) 9.635 ======================= Grid point 254 (80/144) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.766 8.774 27.694) 29.061 1.746 ( 8.628 21.932 23.783) 33.483 2.376 ( 3.561 2.011 -11.132) 11.859 2.577 ( 4.366 16.168 -12.416) 20.848 2.753 ( 12.989 17.387 38.928) 44.569 3.960 ( -7.691 -1.733 -9.131) 12.064 4.355 ( 6.708 -0.676 1.001) 6.815 4.515 ( 6.096 -2.780 0.398) 6.712 4.687 ( 6.061 3.446 -6.795) 9.736 5.003 ( -0.060 0.337 -11.179) 11.184 5.388 ( 5.167 -0.375 2.120) 5.597 5.605 ( 0.072 -1.379 -5.605) 5.773 5.932 ( 1.580 -4.746 11.539) 12.577 6.328 ( -4.289 -6.640 -3.432) 8.618 6.600 ( 3.909 3.955 0.662) 5.600 6.989 ( -5.680 -3.641 -4.119) 7.905 7.129 ( -5.741 -1.232 -4.319) 7.289 7.303 ( 2.520 3.354 -15.168) 15.737 7.547 ( 7.536 -4.641 5.507) 10.424 7.896 ( -5.318 -1.230 8.913) 10.452 8.014 ( 2.535 -20.881 -8.382) 22.643 8.292 ( 3.744 -5.465 2.612) 7.121 8.429 ( -0.769 -2.360 10.291) 10.586 8.861 ( -5.196 0.640 -2.936) 6.002 8.965 ( -0.211 -3.381 -1.716) 3.797 9.102 ( 2.830 3.260 -3.526) 5.574 9.755 ( -6.165 3.455 5.470) 8.937 10.007 ( -4.339 2.703 -0.115) 5.113 10.220 ( -2.567 0.971 -0.169) 2.750 10.359 ( -2.876 3.755 0.495) 4.756 10.937 ( -7.357 -12.139 8.524) 16.557 11.225 ( 3.495 -7.438 -2.194) 8.506 11.377 ( -4.070 2.957 -0.403) 5.047 11.562 ( 8.148 6.223 -3.264) 10.760 12.877 ( -2.773 -2.335 6.592) 7.523 13.086 ( 1.343 -0.899 -1.686) 2.335 13.182 ( -0.968 7.296 0.624) 7.386 13.402 ( 5.272 7.198 -4.742) 10.103 14.222 ( 0.779 -10.583 3.095) 11.054 14.338 ( 2.429 -5.225 0.358) 5.773 14.664 ( -10.738 0.329 9.083) 14.068 15.021 ( -4.816 -0.917 0.540) 4.932 15.156 ( -7.229 8.416 -2.280) 11.326 15.284 ( -5.674 3.794 -2.561) 7.290 16.685 ( -4.068 -4.183 0.228) 5.840 16.828 ( -1.126 -2.849 -2.278) 3.818 17.486 ( -16.907 6.581 4.825) 18.774 17.674 ( -11.052 7.270 -2.352) 13.436 18.020 ( 9.420 -1.741 1.417) 9.684 18.136 ( 2.054 3.757 5.186) 6.726 18.550 ( 2.531 -0.121 -7.192) 7.625 18.782 ( 1.268 6.600 -6.760) 9.533 19.403 ( 6.218 -0.626 1.444) 6.414 19.494 ( 3.571 -0.630 -2.225) 4.255 20.254 ( 0.757 -9.702 2.341) 10.009 20.436 ( 4.901 -2.966 0.159) 5.731 20.553 ( 3.566 5.576 3.255) 7.376 20.749 ( 7.947 8.551 -7.016) 13.619 22.275 ( -8.098 -8.162 2.108) 11.689 22.399 ( -3.972 -4.608 0.046) 6.084 ======================= Grid point 255 (81/144) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 10.364 9.557 17.159) 22.207 1.931 ( 9.281 24.022 16.387) 30.525 2.461 ( 4.477 2.496 -14.999) 15.850 2.693 ( 6.345 16.173 -12.700) 21.520 3.066 ( 16.409 7.662 28.918) 34.120 3.844 ( -3.642 -0.637 -4.190) 5.588 4.445 ( 2.800 -2.687 7.408) 8.363 4.619 ( 3.333 -3.001 -5.184) 6.855 4.802 ( 3.676 3.326 -5.306) 7.261 5.013 ( 0.553 0.073 -7.281) 7.303 5.526 ( 7.721 -6.154 -0.400) 9.881 5.667 ( 7.495 0.045 0.278) 7.500 5.979 ( 2.633 -5.153 6.993) 9.076 6.200 ( -7.677 -2.405 0.986) 8.105 6.702 ( 5.048 -0.498 -4.564) 6.824 6.870 ( -6.009 -2.038 -7.283) 9.659 7.033 ( -1.825 -2.076 -4.189) 5.019 7.351 ( 1.442 3.286 -6.856) 7.738 7.643 ( -0.257 -7.782 6.700) 10.272 7.795 ( -3.297 -1.996 10.091) 10.802 8.075 ( 3.413 -11.208 -4.332) 12.491 8.349 ( 0.582 0.600 -2.681) 2.808 8.436 ( 2.314 -9.543 4.037) 10.617 8.773 ( -2.334 -0.026 -0.112) 2.337 8.975 ( 0.806 -4.704 0.542) 4.803 9.127 ( -0.510 6.476 -3.493) 7.376 9.610 ( -7.114 -2.828 2.007) 7.915 9.891 ( -6.592 4.819 1.311) 8.270 10.122 ( -6.834 -1.787 0.140) 7.065 10.324 ( -0.713 6.794 2.456) 7.260 10.737 ( -9.374 -6.771 6.406) 13.220 11.094 ( -12.277 -0.762 -1.026) 12.343 11.531 ( 16.467 -0.369 1.006) 16.502 11.845 ( 17.033 5.430 -4.343) 18.398 12.812 ( -3.252 -2.984 6.672) 8.000 13.122 ( 1.708 0.779 -0.135) 1.882 13.192 ( 1.026 3.167 -1.311) 3.578 13.470 ( 1.739 5.912 -5.951) 8.567 14.215 ( -3.083 -6.006 7.134) 9.822 14.345 ( -3.035 -7.406 2.309) 8.331 14.475 ( -6.545 3.339 3.219) 8.021 14.875 ( -8.634 -1.724 -4.888) 10.070 14.961 ( -9.679 8.160 2.291) 12.865 15.146 ( -7.398 8.459 0.331) 11.242 16.596 ( -4.663 -3.313 0.209) 5.724 16.777 ( -3.524 2.480 -1.288) 4.498 17.185 ( -11.935 3.082 7.614) 14.488 17.472 ( -9.697 3.564 -5.647) 11.774 18.109 ( 0.517 1.892 5.634) 5.966 18.250 ( 6.750 0.803 0.413) 6.810 18.550 ( 0.930 -3.052 -4.332) 5.380 18.860 ( 5.723 5.817 -5.707) 9.958 19.503 ( 1.925 -0.642 0.962) 2.245 19.543 ( 2.024 1.118 -0.139) 2.317 20.296 ( 2.228 -10.988 1.987) 11.387 20.484 ( 0.564 -1.042 0.232) 1.207 20.671 ( 7.561 3.440 3.762) 9.119 20.940 ( 9.123 4.044 -6.935) 12.152 22.099 ( -8.297 -8.934 0.006) 12.192 22.284 ( -6.834 -1.424 -2.282) 7.345 ======================= Grid point 256 (82/144) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 13.454 9.203 4.997) 17.049 2.108 ( 7.849 22.266 6.662) 24.531 2.551 ( 4.221 4.255 -11.694) 13.141 2.800 ( 3.470 17.608 -14.781) 23.250 3.381 ( 14.337 0.860 20.931) 25.385 3.814 ( 0.484 -1.929 0.574) 2.070 4.451 ( -1.887 -7.370 8.049) 11.076 4.686 ( 1.176 -1.873 -6.724) 7.078 4.806 ( -0.442 5.934 -3.947) 7.140 5.030 ( 1.478 0.978 -3.881) 4.267 5.704 ( 8.727 -7.561 5.023) 12.592 5.843 ( 6.476 -0.817 7.090) 9.637 6.013 ( -1.955 -1.815 -1.253) 2.948 6.082 ( 1.208 -1.503 -1.791) 2.631 6.703 ( -3.197 -5.252 -3.723) 7.188 6.861 ( 4.271 2.327 -8.854) 10.102 7.036 ( 0.458 -4.146 -4.732) 6.308 7.351 ( -0.870 1.465 3.736) 4.107 7.570 ( -4.982 -2.503 5.421) 7.777 7.730 ( -4.193 -7.880 8.712) 12.473 8.148 ( 3.101 0.468 -2.249) 3.859 8.334 ( -1.041 -6.341 -7.146) 9.610 8.489 ( 2.051 -8.400 2.598) 9.029 8.783 ( 2.764 -0.858 1.930) 3.478 8.994 ( 1.031 -6.883 1.762) 7.180 9.082 ( -3.598 7.538 -2.773) 8.801 9.501 ( -3.130 -4.836 -0.145) 5.762 9.756 ( -6.499 3.718 1.472) 7.631 9.977 ( -6.409 -3.658 2.596) 7.823 10.296 ( -2.911 4.581 -2.091) 5.817 10.614 ( -2.566 -2.677 3.783) 5.297 10.873 ( -8.346 3.488 0.611) 9.066 11.922 ( 21.147 -0.601 2.372) 21.288 12.197 ( 16.928 3.610 -5.050) 18.031 12.754 ( -2.260 -4.045 6.103) 7.662 13.122 ( -2.294 2.314 2.330) 4.006 13.206 ( -0.056 -1.253 -5.543) 5.683 13.490 ( 0.532 8.336 -6.620) 10.658 14.065 ( -10.866 0.522 7.736) 13.348 14.217 ( -11.676 -0.185 3.482) 12.186 14.339 ( -4.212 -4.445 -0.637) 6.156 14.752 ( -5.961 -2.003 -0.608) 6.318 14.827 ( -1.028 11.210 0.113) 11.258 15.011 ( -5.070 7.313 -0.630) 8.921 16.499 ( -4.614 -3.307 1.105) 5.784 16.695 ( -4.738 4.692 1.465) 6.827 16.999 ( -6.287 -0.995 4.293) 7.677 17.278 ( -9.191 2.904 -5.656) 11.176 18.113 ( 0.200 1.730 3.792) 4.173 18.295 ( -1.427 3.427 -2.479) 4.464 18.671 ( 9.926 -3.947 1.768) 10.827 18.996 ( 7.291 3.404 -4.089) 9.026 19.483 ( -2.763 -1.194 1.314) 3.284 19.575 ( 0.239 1.993 0.010) 2.007 20.327 ( 1.016 -8.093 1.693) 8.330 20.473 ( -1.473 -1.222 -0.172) 1.921 20.836 ( 8.015 0.708 5.165) 9.561 21.080 ( 4.447 1.538 -2.501) 5.329 21.963 ( -4.760 -8.420 -3.383) 10.246 22.143 ( -6.638 -0.763 -4.808) 8.231 ======================= Grid point 257 (83/144) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 8.933 9.874 -2.275) 13.508 2.241 ( 5.063 17.104 -2.856) 18.064 2.626 ( 3.092 7.560 -7.055) 10.793 2.821 ( -1.121 18.533 -11.390) 21.782 3.641 ( 10.889 -3.152 13.118) 17.338 3.843 ( 1.530 -2.936 2.276) 4.018 4.412 ( -1.015 -6.713 8.505) 10.883 4.573 ( -8.370 -0.937 -1.902) 8.634 4.901 ( 6.235 1.920 -5.367) 8.448 5.060 ( 1.062 2.434 -3.930) 4.743 5.769 ( -1.488 -1.462 6.074) 6.422 5.844 ( -4.368 3.115 6.021) 8.064 6.072 ( 8.413 -4.799 -0.074) 9.686 6.208 ( 6.862 -3.349 -3.058) 8.225 6.682 ( 1.044 -6.894 -2.177) 7.305 6.932 ( 0.188 0.686 -4.891) 4.943 7.010 ( -0.583 -2.238 -6.108) 6.531 7.351 ( -0.405 5.151 4.185) 6.649 7.455 ( -4.858 -5.549 2.919) 7.931 7.651 ( -2.982 -3.827 11.890) 12.842 8.187 ( 1.044 -0.684 -5.731) 5.866 8.321 ( -0.461 -7.613 -4.685) 8.951 8.521 ( 1.262 -8.777 1.861) 9.061 8.845 ( 2.734 -5.007 2.149) 6.096 8.973 ( -4.025 2.653 1.021) 4.928 9.038 ( 0.596 -3.459 0.479) 3.542 9.485 ( 1.323 -2.671 -0.329) 2.999 9.636 ( -5.155 1.571 1.624) 5.629 9.887 ( -2.344 -6.532 -0.976) 7.008 10.204 ( -5.130 3.386 -2.991) 6.836 10.618 ( 2.175 0.148 3.113) 3.800 10.762 ( -3.265 4.787 2.013) 6.134 12.349 ( 19.371 1.322 2.386) 19.563 12.509 ( 12.987 1.267 -5.120) 14.017 12.736 ( 1.367 -5.621 3.929) 6.993 13.029 ( -6.652 -1.560 -0.069) 6.832 13.177 ( -2.150 2.597 0.131) 3.374 13.443 ( -8.505 10.435 -4.467) 14.184 13.829 ( -7.349 -0.766 1.034) 7.461 14.020 ( -6.453 6.171 0.884) 8.972 14.292 ( -1.177 -3.867 -0.323) 4.056 14.601 ( -7.237 5.398 0.938) 9.078 14.874 ( 3.181 5.183 0.032) 6.081 14.952 ( -1.259 5.388 -0.296) 5.541 16.423 ( -2.568 -3.959 2.317) 5.257 16.585 ( -5.391 2.484 4.544) 7.475 16.938 ( 0.066 -0.137 -0.587) 0.606 17.111 ( -7.071 2.741 -4.388) 8.762 18.120 ( 0.479 1.220 1.291) 1.839 18.250 ( -2.196 4.730 -0.606) 5.250 18.889 ( 10.626 -3.324 2.791) 11.479 19.125 ( 3.899 1.675 -0.544) 4.279 19.422 ( -1.970 -0.842 0.355) 2.172 19.544 ( -3.284 1.900 -1.069) 3.941 20.348 ( 1.235 -5.631 0.937) 5.841 20.431 ( -2.478 -2.316 -0.395) 3.414 20.978 ( 5.690 -0.801 5.449) 7.919 21.125 ( 0.265 0.703 2.452) 2.565 21.910 ( -0.650 -6.827 -6.102) 9.180 22.025 ( -4.848 -1.905 -6.354) 8.216 ======================= Grid point 258 (84/144) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -0.000 12.550 -4.921) 13.480 2.298 ( -0.000 11.586 -5.832) 12.971 2.664 ( -0.000 9.529 -9.722) 13.613 2.795 ( 0.000 18.899 -4.317) 19.385 3.775 ( -0.000 -5.209 2.342) 5.711 3.852 ( 0.000 -2.194 8.909) 9.175 4.426 ( 0.000 -4.545 2.434) 5.156 4.448 ( -0.000 -3.149 7.254) 7.908 4.974 ( 0.000 -0.557 -4.673) 4.706 5.069 ( 0.000 4.099 -5.216) 6.634 5.745 ( 0.000 1.086 3.080) 3.266 5.786 ( 0.000 4.271 5.063) 6.624 6.177 ( 0.000 -6.016 0.426) 6.031 6.288 ( -0.000 -2.353 1.037) 2.571 6.710 ( 0.000 -9.457 -2.567) 9.800 6.877 ( 0.000 -3.161 -2.563) 4.070 7.058 ( 0.000 1.189 -6.747) 6.851 7.286 ( 0.000 9.159 -0.173) 9.160 7.445 ( 0.000 -6.089 4.745) 7.719 7.616 ( 0.000 -2.668 13.796) 14.052 8.199 ( 0.000 -3.450 -8.577) 9.245 8.314 ( 0.000 -6.728 -2.167) 7.069 8.536 ( 0.000 -9.648 1.053) 9.705 8.889 ( -0.000 -9.571 -1.655) 9.713 8.907 ( 0.000 5.313 5.708) 7.798 9.048 ( 0.000 -3.895 1.070) 4.039 9.530 ( 0.000 0.598 0.680) 0.906 9.557 ( 0.000 -1.142 1.097) 1.583 9.869 ( 0.000 -8.618 -4.326) 9.643 10.142 ( 0.000 4.320 -1.481) 4.567 10.657 ( 0.000 0.926 3.073) 3.209 10.722 ( 0.000 4.691 2.199) 5.181 12.575 ( -0.000 0.369 -0.713) 0.803 12.657 ( -0.000 2.261 -2.443) 3.329 12.846 ( 0.000 -6.932 2.171) 7.264 12.885 ( -0.000 -3.443 1.038) 3.596 13.201 ( -0.000 8.979 2.691) 9.373 13.209 ( 0.000 4.654 0.661) 4.701 13.795 ( 0.000 1.582 -6.124) 6.326 13.949 ( 0.000 6.784 -1.915) 7.049 14.283 ( 0.000 -0.204 -1.084) 1.103 14.515 ( 0.000 4.482 2.791) 5.281 14.914 ( -0.000 5.769 0.073) 5.769 14.938 ( 0.000 4.079 0.354) 4.094 16.398 ( 0.000 -4.480 2.906) 5.340 16.521 ( 0.000 0.997 5.149) 5.244 16.970 ( 0.000 1.434 -3.442) 3.729 17.010 ( 0.000 2.207 -2.432) 3.284 18.127 ( -0.000 0.704 -0.374) 0.797 18.225 ( 0.000 5.534 1.058) 5.634 19.052 ( 0.000 -2.349 2.187) 3.210 19.113 ( -0.000 -1.033 3.518) 3.667 19.452 ( -0.000 0.413 -1.570) 1.624 19.459 ( 0.000 2.166 -1.967) 2.926 20.382 ( -0.000 -3.809 0.004) 3.809 20.382 ( 0.000 -3.824 0.076) 3.824 21.048 ( 0.000 -1.732 4.071) 4.424 21.114 ( 0.000 0.997 5.703) 5.789 21.917 ( 0.000 -5.165 -7.627) 9.211 21.963 ( 0.000 -3.418 -6.239) 7.114 ======================= Grid point 264 (85/144) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.000 10.810 22.217) 24.708 1.970 ( 0.000 16.533 25.512) 30.401 2.384 ( 0.000 2.694 -9.126) 9.515 2.887 ( 0.000 16.301 -17.206) 23.701 3.232 ( 0.000 37.835 25.080) 45.393 3.992 ( 0.000 -1.782 -14.368) 14.478 4.273 ( 0.000 4.388 11.629) 12.430 4.473 ( 0.000 2.620 7.888) 8.312 4.692 ( 0.000 2.877 -5.099) 5.854 4.994 ( 0.000 -3.057 -12.243) 12.619 5.386 ( 0.000 3.313 3.012) 4.477 5.487 ( 0.000 -8.838 4.175) 9.774 5.921 ( 0.000 3.120 0.179) 3.125 6.211 ( 0.000 -7.071 -8.435) 11.007 6.655 ( 0.000 4.070 -0.137) 4.072 6.926 ( 0.000 -11.510 -3.148) 11.933 7.059 ( 0.000 -9.079 9.866) 13.408 7.372 ( 0.000 -1.554 -11.231) 11.338 7.436 ( 0.000 1.437 -5.638) 5.818 7.482 ( 0.000 -16.829 -8.448) 18.830 7.932 ( 0.000 -2.819 7.491) 8.004 8.136 ( 0.000 -4.756 0.058) 4.757 8.463 ( 0.000 1.712 12.789) 12.903 8.799 ( 0.000 -8.620 2.166) 8.888 8.933 ( 0.000 -3.906 -0.476) 3.935 9.125 ( 0.000 4.229 -11.984) 12.708 9.957 ( 0.000 3.739 5.474) 6.629 9.978 ( 0.000 -6.691 6.146) 9.085 10.320 ( 0.000 5.942 3.345) 6.819 10.472 ( 0.000 5.923 -2.579) 6.460 10.796 ( 0.000 -8.936 0.961) 8.987 10.977 ( 0.000 -12.446 -3.741) 12.996 11.448 ( 0.000 1.906 2.064) 2.809 11.558 ( 0.000 0.833 -3.814) 3.904 12.880 ( 0.000 -1.595 5.333) 5.567 13.011 ( 0.000 -4.685 -1.212) 4.840 13.400 ( 0.000 8.202 0.184) 8.204 13.488 ( 0.000 10.773 -6.260) 12.460 14.005 ( 0.000 -9.595 6.311) 11.485 14.212 ( 0.000 -4.238 -2.935) 5.155 14.759 ( 0.000 -0.725 8.913) 8.943 15.048 ( 0.000 -1.819 1.771) 2.539 15.303 ( 0.000 -3.908 -3.135) 5.010 15.384 ( 0.000 4.344 -1.842) 4.719 16.691 ( 0.000 -0.550 -0.589) 0.806 16.730 ( 0.000 -2.957 -2.274) 3.730 17.802 ( 0.000 2.364 -0.908) 2.532 17.802 ( 0.000 2.849 -0.960) 3.006 18.138 ( 0.000 9.293 3.900) 10.078 18.210 ( 0.000 4.810 7.083) 8.562 18.598 ( 0.000 6.732 -10.628) 12.581 18.764 ( 0.000 -2.255 -9.522) 9.785 19.344 ( 0.000 0.988 0.085) 0.991 19.404 ( 0.000 -1.449 -1.930) 2.414 20.190 ( 0.000 -4.628 4.458) 6.426 20.289 ( 0.000 0.061 -1.479) 1.480 20.629 ( 0.000 5.706 4.491) 7.261 20.841 ( 0.000 8.116 -7.470) 11.030 22.224 ( 0.000 -11.391 4.935) 12.415 22.247 ( 0.000 -8.100 1.574) 8.252 ======================= Grid point 265 (86/144) ======================= q-point: ( 0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 2.736 13.504 19.567) 23.932 2.111 ( 11.109 14.720 21.183) 28.085 2.428 ( 4.317 3.308 -9.937) 11.328 2.918 ( 3.006 16.209 -14.267) 21.802 3.265 ( 3.372 33.028 21.509) 39.559 3.939 ( -4.205 1.720 -6.116) 7.619 4.334 ( 3.294 -2.091 4.167) 5.708 4.499 ( 3.591 2.117 5.027) 6.530 4.761 ( 5.882 4.013 -2.236) 7.464 5.001 ( 0.607 -1.156 -10.243) 10.326 5.370 ( -0.136 -1.700 3.164) 3.594 5.534 ( 3.539 -5.192 2.343) 6.706 5.892 ( -1.799 0.891 2.011) 2.841 6.183 ( -2.500 -7.346 -6.372) 10.040 6.656 ( 0.728 1.559 -2.826) 3.309 6.898 ( -3.972 -7.474 1.064) 8.530 7.073 ( 1.326 -4.747 0.449) 4.949 7.286 ( -3.320 -5.805 -8.419) 10.751 7.490 ( 2.654 -2.548 -7.051) 7.953 7.600 ( 8.075 -13.726 -3.693) 16.348 7.875 ( -3.549 -1.829 7.559) 8.549 8.198 ( 4.520 -5.104 1.133) 6.912 8.435 ( -2.296 1.204 10.424) 10.742 8.757 ( -4.350 -7.284 -0.452) 8.496 8.904 ( -0.829 -3.953 -0.365) 4.056 9.183 ( 3.801 3.606 -7.813) 9.407 9.815 ( -9.629 1.208 5.797) 11.305 9.993 ( -2.105 -3.741 3.772) 5.715 10.278 ( -4.816 5.233 -1.700) 7.312 10.455 ( -0.983 5.232 3.428) 6.332 10.737 ( -5.418 -8.353 1.278) 10.038 11.038 ( 4.759 -10.722 -3.107) 12.135 11.425 ( -1.539 1.697 -0.527) 2.351 11.663 ( 10.808 4.036 -1.301) 11.610 12.840 ( -3.488 -2.077 4.723) 6.228 13.027 ( 1.233 -4.924 -1.505) 5.295 13.322 ( -2.946 7.630 -1.264) 8.276 13.596 ( 5.336 11.613 -4.091) 13.419 14.019 ( 1.623 -9.248 5.776) 11.024 14.239 ( 2.033 -4.743 -1.900) 5.499 14.690 ( -6.223 1.827 8.029) 10.321 14.980 ( -5.917 -2.126 -1.281) 6.416 15.210 ( -7.103 -1.601 -1.596) 7.454 15.399 ( -0.932 4.867 0.287) 4.963 16.632 ( -3.772 -1.410 -1.619) 4.341 16.772 ( 1.986 -1.650 -1.193) 2.844 17.599 ( -12.057 5.085 -0.151) 13.087 17.859 ( -17.553 10.574 0.068) 20.492 18.006 ( 9.661 0.492 0.528) 9.688 18.204 ( -0.568 3.187 7.075) 7.781 18.573 ( -2.247 1.913 -8.089) 8.611 18.882 ( 5.090 3.158 -7.095) 9.286 19.378 ( 6.397 -1.965 0.293) 6.699 19.485 ( 4.117 -0.161 -1.621) 4.428 20.092 ( -4.054 -6.627 2.585) 8.187 20.402 ( 5.423 -0.873 -0.241) 5.498 20.659 ( 2.993 5.559 3.991) 7.470 20.898 ( 5.190 6.994 -7.290) 11.358 22.099 ( -8.329 -9.499 3.828) 13.200 22.269 ( -1.287 -8.671 0.908) 8.813 ======================= Grid point 266 (87/144) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 10.194 14.683 11.897) 21.472 2.344 ( 10.744 14.320 8.953) 20.016 2.547 ( 7.055 6.736 -6.065) 11.486 3.008 ( 5.777 14.619 -8.977) 18.102 3.366 ( 6.234 22.723 15.081) 27.975 3.850 ( -4.176 2.944 -3.321) 6.093 4.350 ( -1.280 -6.226 3.168) 7.102 4.603 ( 5.144 1.494 0.968) 5.444 4.887 ( 5.340 5.239 -0.247) 7.485 5.011 ( 0.394 -0.299 -5.228) 5.251 5.406 ( 3.477 -6.055 2.112) 7.295 5.630 ( 6.785 -3.587 1.544) 7.829 5.896 ( 2.670 -2.743 3.415) 5.130 6.121 ( -3.479 -5.219 -2.543) 6.768 6.646 ( -3.096 -4.786 -3.194) 6.534 6.849 ( 1.130 -0.544 -5.996) 6.126 7.047 ( -2.675 1.241 -2.645) 3.962 7.278 ( 0.547 -9.254 -5.268) 10.663 7.497 ( -1.552 -6.079 -1.678) 6.494 7.726 ( 1.571 -6.285 2.256) 6.860 7.865 ( 4.349 -7.372 5.303) 10.069 8.271 ( 1.651 -6.872 2.671) 7.555 8.399 ( -0.781 2.116 2.973) 3.732 8.668 ( -2.929 -8.364 -3.827) 9.653 8.900 ( -0.188 -3.402 4.358) 5.532 9.239 ( 1.159 3.637 -3.433) 5.134 9.604 ( -10.206 1.096 1.625) 10.392 9.906 ( -5.847 -3.086 2.434) 7.045 10.122 ( -10.006 2.130 -2.657) 10.570 10.426 ( -2.549 2.411 4.095) 5.393 10.629 ( -3.694 -2.746 1.385) 4.807 11.051 ( -4.799 -3.659 0.140) 6.036 11.525 ( 13.415 -0.109 -1.488) 13.498 11.954 ( 16.462 5.226 -0.618) 17.282 12.762 ( -3.690 -2.262 3.975) 5.877 13.047 ( 0.489 -6.331 -3.310) 7.160 13.296 ( -0.292 6.027 -1.262) 6.165 13.666 ( 2.118 13.326 -3.226) 13.873 14.069 ( 2.943 -7.592 5.360) 9.749 14.244 ( -3.108 -3.967 0.515) 5.066 14.559 ( -5.648 4.805 3.970) 8.411 14.814 ( -10.071 -1.849 -4.576) 11.215 15.074 ( -5.022 1.953 2.609) 5.986 15.321 ( -6.342 7.534 1.470) 9.957 16.548 ( -4.563 -1.570 -1.470) 5.044 16.796 ( 0.458 0.269 -1.418) 1.514 17.289 ( -16.741 7.006 5.216) 18.883 17.566 ( -11.545 6.263 -4.485) 13.879 18.153 ( 1.403 2.545 5.220) 5.974 18.253 ( 7.896 -0.541 0.897) 7.966 18.526 ( -1.332 0.295 -6.144) 6.294 18.957 ( 3.914 3.889 -3.343) 6.451 19.491 ( 0.924 -0.574 1.449) 1.812 19.562 ( 4.919 0.344 -0.846) 5.003 20.071 ( 1.651 -11.111 1.479) 11.330 20.462 ( 0.682 -1.071 0.450) 1.347 20.747 ( 5.425 4.426 3.100) 7.657 21.020 ( 5.907 4.133 -5.778) 9.239 21.925 ( -8.042 -8.742 1.851) 12.022 22.197 ( -5.280 -7.212 -1.691) 9.097 ======================= Grid point 267 (88/144) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 12.170 13.300 4.431) 18.564 2.507 ( 4.865 13.475 -4.194) 14.927 2.715 ( 9.265 13.774 2.204) 16.746 3.137 ( 6.301 12.877 -6.258) 15.642 3.494 ( 5.841 12.951 9.071) 16.856 3.789 ( -1.322 1.563 -2.431) 3.178 4.304 ( -2.633 -7.109 3.763) 8.464 4.661 ( -1.133 -0.466 -3.398) 3.612 4.927 ( 0.020 5.835 0.427) 5.850 5.046 ( 3.172 1.433 -1.072) 3.643 5.531 ( 8.853 -9.382 4.741) 13.743 5.796 ( 7.978 -3.913 3.997) 9.744 5.981 ( 4.121 -2.023 -0.602) 4.630 6.047 ( -2.435 -1.402 -0.180) 2.816 6.570 ( -2.998 -7.886 -4.304) 9.471 6.899 ( 1.950 1.998 -6.413) 6.994 7.027 ( 0.821 1.139 -5.688) 5.859 7.251 ( -2.157 -8.545 1.354) 8.916 7.485 ( 0.876 -7.538 0.158) 7.590 7.668 ( -5.659 1.944 9.063) 10.860 7.994 ( 6.082 -14.282 -0.042) 15.523 8.259 ( -2.208 -6.769 2.776) 7.642 8.371 ( -2.739 0.630 -4.927) 5.673 8.678 ( 3.568 -11.631 -1.255) 12.231 8.882 ( -1.794 -2.689 7.385) 8.061 9.194 ( -6.021 1.623 0.405) 6.249 9.462 ( -2.546 0.730 -4.223) 4.985 9.774 ( -6.847 -1.883 2.006) 7.379 9.910 ( -9.659 -2.102 -1.419) 9.986 10.349 ( -4.739 0.535 -1.091) 4.892 10.602 ( 0.705 1.795 3.829) 4.287 10.932 ( -5.170 2.336 2.172) 6.075 11.899 ( 21.661 -1.560 -0.099) 21.718 12.282 ( 15.070 4.666 -0.838) 15.798 12.703 ( -1.950 -1.346 2.197) 3.232 13.030 ( -2.572 -7.112 -5.142) 9.145 13.288 ( -0.722 5.217 -1.019) 5.364 13.707 ( 1.923 13.678 -3.702) 14.300 14.077 ( -10.491 -0.443 2.984) 10.916 14.135 ( 1.032 -4.115 4.013) 5.840 14.394 ( -11.048 6.590 0.864) 12.893 14.683 ( -1.777 -2.695 -2.128) 3.866 15.016 ( -1.157 5.664 2.162) 6.172 15.177 ( -6.730 8.799 1.313) 11.155 16.448 ( -5.077 -1.636 -0.952) 5.419 16.779 ( -3.551 3.412 -0.584) 4.959 16.997 ( -9.833 1.624 5.518) 11.391 17.353 ( -9.649 4.833 -4.956) 11.875 18.156 ( -0.101 2.428 2.611) 3.567 18.361 ( 0.867 2.778 -1.513) 3.280 18.597 ( 9.089 -3.248 -0.772) 9.682 19.060 ( 5.823 2.960 -0.978) 6.605 19.457 ( -3.072 -1.332 0.873) 3.460 19.627 ( 0.870 3.185 0.646) 3.364 20.130 ( 3.483 -11.606 1.062) 12.164 20.441 ( -2.565 -2.053 0.535) 3.329 20.865 ( 5.905 2.428 3.230) 7.155 21.112 ( 2.916 1.820 -2.388) 4.185 21.797 ( -4.124 -8.434 -1.288) 9.477 22.073 ( -6.617 -6.330 -3.955) 9.975 ======================= Grid point 268 (89/144) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 9.691 11.148 0.754) 14.791 2.545 ( -0.995 11.922 -3.358) 12.426 2.890 ( 7.197 19.582 -3.320) 21.125 3.228 ( 2.000 17.463 -3.021) 17.835 3.609 ( 6.113 3.016 2.947) 7.427 3.793 ( 0.692 -0.268 1.362) 1.551 4.273 ( 0.235 -7.318 3.064) 7.937 4.531 ( -9.758 -3.006 -3.567) 10.816 4.962 ( 2.401 4.011 0.050) 4.675 5.119 ( 3.580 4.019 -0.449) 5.401 5.694 ( 5.396 -6.829 6.493) 10.859 5.888 ( -0.486 -0.627 6.185) 6.235 6.000 ( 3.621 -0.146 -3.058) 4.742 6.120 ( 5.076 -4.832 -2.914) 7.590 6.551 ( 1.313 -6.701 -1.318) 6.955 6.872 ( -5.685 -4.276 -4.495) 8.415 7.054 ( 2.844 3.359 -5.664) 7.173 7.278 ( 4.268 -5.124 2.664) 7.181 7.500 ( -1.107 -2.305 1.690) 3.065 7.546 ( -4.180 0.401 10.692) 11.487 8.078 ( 2.076 -14.204 -3.153) 14.697 8.199 ( -3.317 -4.011 -1.900) 5.540 8.310 ( -2.476 -9.353 -1.055) 9.733 8.752 ( 2.068 -9.401 -1.763) 9.785 8.835 ( -1.957 -7.568 6.209) 9.983 9.061 ( -5.081 -0.252 2.250) 5.562 9.471 ( 2.271 0.625 -3.024) 3.833 9.645 ( -5.559 -0.119 1.556) 5.774 9.760 ( -4.940 -5.919 -4.095) 8.730 10.250 ( -4.387 1.398 -1.684) 4.902 10.641 ( 2.635 1.826 4.349) 5.403 10.857 ( -2.441 4.897 3.477) 6.483 12.351 ( 21.305 -1.273 2.441) 21.482 12.542 ( 9.995 2.447 -1.480) 10.396 12.691 ( 1.045 0.590 -1.248) 1.731 12.942 ( -5.793 -5.195 -4.969) 9.232 13.269 ( -0.841 4.514 0.175) 4.595 13.649 ( -12.625 10.199 -0.007) 16.230 13.862 ( -3.522 4.057 -1.693) 5.633 14.116 ( -4.749 4.207 -0.193) 6.348 14.291 ( 3.040 3.085 2.394) 4.949 14.630 ( -4.910 -0.214 -0.883) 4.994 15.017 ( 1.080 6.389 2.195) 6.842 15.089 ( -1.748 8.853 1.000) 9.079 16.358 ( -3.329 -2.164 0.023) 3.971 16.623 ( -8.695 1.618 4.021) 9.715 16.946 ( 2.422 0.939 -0.501) 2.646 17.175 ( -7.873 3.769 -3.740) 9.496 18.157 ( 0.225 2.420 -0.124) 2.434 18.349 ( -1.018 4.865 -0.058) 4.971 18.819 ( 11.412 -3.792 1.258) 12.091 19.143 ( 0.119 0.000 2.067) 2.070 19.411 ( 0.310 -0.049 -0.736) 0.800 19.601 ( -3.169 4.076 0.620) 5.200 20.202 ( 3.663 -9.144 0.653) 9.872 20.369 ( -4.216 -3.977 0.153) 5.798 20.974 ( 4.509 0.671 3.130) 5.529 21.138 ( -0.158 0.751 1.625) 1.797 21.765 ( 0.729 -7.922 -4.211) 9.001 21.942 ( -6.002 -6.532 -5.126) 10.246 ======================= Grid point 269 (90/144) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.468 ( 0.000 13.712 1.221) 13.766 2.476 ( -0.000 7.336 -2.373) 7.710 2.972 ( -0.000 21.471 -11.102) 24.171 3.236 ( 0.000 20.961 2.496) 21.109 3.705 ( -0.000 1.099 -5.131) 5.247 3.786 ( 0.000 -3.689 9.305) 10.010 4.318 ( 0.000 -6.244 -3.971) 7.400 4.371 ( -0.000 -4.617 2.800) 5.400 4.988 ( -0.000 2.235 -0.248) 2.248 5.162 ( 0.000 5.570 -0.791) 5.626 5.743 ( 0.000 -2.397 3.862) 4.545 5.866 ( 0.000 1.803 7.252) 7.473 6.061 ( 0.000 -4.020 -2.286) 4.624 6.178 ( -0.000 -6.801 -3.823) 7.802 6.598 ( 0.000 -2.451 0.436) 2.489 6.763 ( 0.000 -8.434 -2.001) 8.668 7.108 ( 0.000 3.345 -6.823) 7.599 7.321 ( 0.000 -2.213 2.902) 3.649 7.483 ( 0.000 6.832 1.948) 7.105 7.508 ( -0.000 -6.708 11.725) 13.508 8.097 ( 0.000 -14.453 -3.593) 14.893 8.151 ( -0.000 -2.988 -5.611) 6.357 8.286 ( 0.000 -14.925 2.383) 15.114 8.754 ( 0.000 -6.088 -4.000) 7.285 8.825 ( 0.000 -13.377 4.882) 14.240 9.013 ( 0.000 0.592 4.935) 4.970 9.520 ( 0.000 -2.145 -1.376) 2.548 9.565 ( -0.000 2.977 0.685) 3.055 9.710 ( 0.000 -7.682 -6.070) 9.791 10.200 ( 0.000 2.082 -1.236) 2.421 10.677 ( 0.000 0.784 4.558) 4.625 10.829 ( 0.000 6.151 3.827) 7.245 12.607 ( -0.000 2.503 0.566) 2.566 12.664 ( -0.000 -1.696 1.389) 2.192 12.759 ( 0.000 -0.988 -3.431) 3.570 12.822 ( -0.000 -2.971 -2.570) 3.928 13.277 ( -0.000 2.112 -0.202) 2.122 13.417 ( 0.000 12.452 2.718) 12.746 13.856 ( 0.000 4.194 -5.704) 7.080 14.054 ( 0.000 5.324 -1.468) 5.522 14.369 ( -0.000 6.906 0.252) 6.911 14.539 ( 0.000 -0.677 2.059) 2.168 15.034 ( -0.000 5.777 0.700) 5.819 15.079 ( 0.000 9.204 2.271) 9.481 16.324 ( 0.000 -2.601 0.842) 2.734 16.524 ( 0.000 -0.239 3.986) 3.993 17.025 ( 0.000 3.960 -2.533) 4.700 17.045 ( -0.000 1.135 -2.221) 2.494 18.161 ( -0.000 2.488 -1.364) 2.838 18.337 ( 0.000 5.575 1.113) 5.685 19.017 ( 0.000 -1.083 2.098) 2.361 19.052 ( -0.000 -5.130 2.588) 5.747 19.462 ( 0.000 0.829 -0.760) 1.124 19.533 ( 0.000 5.269 0.153) 5.271 20.277 ( 0.000 -7.058 0.185) 7.061 20.286 ( -0.000 -5.795 0.141) 5.797 21.028 ( 0.000 -0.130 2.095) 2.099 21.128 ( 0.000 0.619 4.233) 4.278 21.798 ( 0.000 -6.891 -6.205) 9.273 21.856 ( 0.000 -7.514 -4.575) 8.797 ======================= Grid point 275 (91/144) ======================= q-point: ( 0.00 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 0.000 10.887 14.303) 17.975 2.242 ( 0.000 10.721 13.125) 16.947 2.444 ( 0.000 4.635 -3.805) 5.997 3.050 ( 0.000 0.886 -19.494) 19.514 3.893 ( 0.000 26.960 10.839) 29.057 4.097 ( 0.000 10.216 -1.680) 10.353 4.329 ( 0.000 2.959 9.936) 10.367 4.585 ( 0.000 8.383 7.009) 10.927 4.705 ( 0.000 -2.209 -3.247) 3.927 4.909 ( 0.000 -4.783 -4.231) 6.386 5.352 ( 0.000 -3.042 5.089) 5.929 5.454 ( 0.000 3.825 0.634) 3.877 5.992 ( 0.000 3.548 -1.349) 3.795 6.128 ( 0.000 -1.007 -7.839) 7.904 6.670 ( 0.000 -13.445 1.800) 13.565 6.708 ( 0.000 0.935 -4.472) 4.568 6.898 ( 0.000 -6.089 2.333) 6.521 7.067 ( 0.000 -14.411 -5.781) 15.527 7.472 ( 0.000 1.588 0.076) 1.589 7.515 ( 0.000 3.906 -6.351) 7.456 7.886 ( 0.000 -2.169 5.837) 6.227 8.019 ( 0.000 -7.161 1.247) 7.269 8.492 ( 0.000 0.703 7.341) 7.374 8.630 ( 0.000 -8.372 4.226) 9.378 8.893 ( 0.000 0.256 -1.192) 1.219 9.176 ( 0.000 1.224 -12.352) 12.412 9.832 ( 0.000 -7.755 6.549) 10.151 9.948 ( 0.000 -4.190 2.231) 4.747 10.446 ( 0.000 5.658 2.475) 6.176 10.569 ( 0.000 1.935 1.764) 2.618 10.669 ( 0.000 -2.806 -7.655) 8.153 10.752 ( 0.000 -9.268 -3.770) 10.006 11.475 ( 0.000 0.931 2.513) 2.679 11.560 ( 0.000 -0.639 -2.671) 2.747 12.835 ( 0.000 -2.912 3.930) 4.891 12.904 ( 0.000 -5.971 0.171) 5.973 13.567 ( 0.000 8.134 1.889) 8.351 13.657 ( 0.000 6.610 -2.907) 7.221 13.889 ( 0.000 -1.803 7.251) 7.472 14.147 ( 0.000 -2.546 -5.209) 5.798 14.761 ( 0.000 0.863 8.096) 8.142 15.016 ( 0.000 -1.369 3.884) 4.118 15.205 ( 0.000 -5.794 -2.601) 6.351 15.389 ( 0.000 -3.238 -4.413) 5.473 16.704 ( 0.000 1.509 -1.204) 1.930 16.719 ( 0.000 1.149 -1.635) 1.998 17.864 ( 0.000 4.208 -0.291) 4.218 17.880 ( 0.000 5.170 -1.080) 5.281 18.265 ( 0.000 1.108 10.180) 10.240 18.289 ( 0.000 5.910 5.447) 8.037 18.688 ( 0.000 2.632 -12.204) 12.484 18.701 ( 0.000 -3.908 -8.714) 9.550 19.364 ( 0.000 1.023 -1.896) 2.154 19.386 ( 0.000 -0.465 -1.731) 1.792 20.129 ( 0.000 -1.703 4.581) 4.887 20.287 ( 0.000 -0.796 -4.189) 4.264 20.752 ( 0.000 7.372 5.121) 8.976 20.979 ( 0.000 6.226 -7.702) 9.904 22.016 ( 0.000 -10.125 6.124) 11.833 22.079 ( 0.000 -9.102 1.224) 9.184 ======================= Grid point 276 (92/144) ======================= q-point: ( 0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 5.126 12.330 11.078) 17.350 2.318 ( 6.586 6.926 9.820) 13.704 2.515 ( 6.829 6.376 -1.349) 9.440 3.083 ( 2.968 0.888 -16.545) 16.832 3.855 ( -3.006 24.193 7.980) 25.651 4.089 ( -2.304 12.261 3.541) 12.968 4.286 ( -1.962 -1.415 0.717) 2.523 4.590 ( 2.018 6.149 7.126) 9.626 4.827 ( 8.262 2.445 2.205) 8.894 4.940 ( 2.949 -5.163 -3.581) 6.941 5.331 ( -1.494 -0.700 5.726) 5.959 5.482 ( 2.572 0.513 -1.098) 2.843 5.936 ( -4.146 2.731 -1.496) 5.185 6.092 ( -2.887 -0.705 -6.948) 7.557 6.611 ( -3.240 -8.300 -0.796) 8.946 6.762 ( 2.545 -2.808 -2.606) 4.599 6.949 ( 4.165 -8.261 -2.569) 9.601 7.087 ( 1.089 -10.275 -2.390) 10.606 7.466 ( 1.064 1.240 0.518) 1.714 7.537 ( 0.310 0.557 -4.398) 4.444 7.835 ( -2.693 -2.289 3.695) 5.113 8.079 ( 3.667 -7.411 4.082) 9.221 8.421 ( -4.735 -3.507 5.382) 7.980 8.672 ( 1.138 -0.881 2.991) 3.319 8.828 ( -3.640 -2.811 -2.342) 5.161 9.219 ( 2.724 0.044 -8.144) 8.588 9.766 ( -6.312 -5.771 4.054) 9.465 9.913 ( -3.138 -4.136 2.903) 5.948 10.400 ( -5.929 6.734 -2.178) 9.233 10.488 ( -5.452 -2.921 3.392) 7.055 10.656 ( -0.797 0.489 -4.181) 4.285 10.849 ( 7.581 -8.175 -2.303) 11.384 11.445 ( -0.698 0.555 -0.735) 1.155 11.714 ( 12.868 1.326 0.840) 12.963 12.792 ( -3.406 -2.682 2.963) 5.251 12.913 ( 0.397 -6.416 -0.170) 6.431 13.474 ( -4.278 7.735 -0.797) 8.875 13.779 ( 6.359 4.602 1.978) 8.095 13.923 ( 3.478 1.574 3.796) 5.384 14.161 ( 1.208 -3.101 -3.891) 5.120 14.726 ( -3.442 1.877 6.904) 7.940 14.960 ( -4.476 0.138 0.013) 4.478 15.142 ( -5.244 -4.833 -0.697) 7.165 15.413 ( 0.747 -3.112 -1.868) 3.706 16.624 ( -4.455 0.343 -2.153) 4.960 16.778 ( 2.441 1.811 0.025) 3.039 17.697 ( -10.202 5.438 -1.674) 11.682 18.013 ( -4.224 4.192 1.343) 6.101 18.064 ( -4.456 6.243 0.378) 7.680 18.251 ( -2.292 1.600 7.484) 7.989 18.604 ( -3.106 1.056 -7.270) 7.976 18.893 ( 7.862 -1.918 -6.631) 10.462 19.337 ( 4.058 -2.005 -0.771) 4.591 19.486 ( 3.613 0.155 -1.027) 3.759 20.008 ( -6.728 -2.293 1.462) 7.256 20.387 ( 4.996 -1.111 -0.875) 5.192 20.776 ( 2.421 6.970 3.837) 8.317 21.020 ( 3.601 5.745 -6.954) 9.713 21.926 ( -6.882 -8.288 4.831) 11.806 22.084 ( -1.027 -10.159 1.031) 10.263 ======================= Grid point 277 (93/144) ======================= q-point: ( 0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( 10.055 13.481 6.211) 17.928 2.486 ( 9.620 3.452 0.720) 10.246 2.691 ( 9.558 7.210 5.124) 13.022 3.162 ( 4.722 0.534 -10.141) 11.199 3.789 ( -3.119 17.535 4.122) 18.281 4.013 ( -3.728 11.655 0.379) 12.242 4.266 ( -1.030 -0.283 0.440) 1.155 4.659 ( 3.642 3.513 5.599) 7.547 4.944 ( 2.596 -0.849 1.250) 3.003 5.030 ( 5.657 2.863 2.711) 6.895 5.320 ( 0.887 -1.651 4.990) 5.330 5.561 ( 5.600 -2.835 -3.940) 7.411 5.885 ( 0.285 1.757 0.006) 1.780 6.048 ( -0.998 -0.686 -4.797) 4.947 6.523 ( -5.109 -7.279 -2.533) 9.247 6.845 ( 5.378 -0.445 -3.231) 6.289 7.001 ( 0.381 -8.088 -4.602) 9.314 7.093 ( -0.058 -6.737 -0.940) 6.803 7.454 ( -3.278 0.745 -2.470) 4.172 7.590 ( 5.876 -5.627 1.563) 8.285 7.789 ( -2.737 -2.354 4.174) 5.519 8.131 ( 1.069 -8.473 6.165) 10.532 8.348 ( -1.731 -7.463 3.014) 8.233 8.602 ( -6.533 2.548 -7.558) 10.310 8.829 ( 2.261 -3.697 5.758) 7.207 9.241 ( -1.486 -3.493 -2.029) 4.304 9.605 ( -8.325 -1.650 -2.200) 8.768 9.829 ( -5.030 -3.479 3.042) 6.830 10.184 ( -13.500 3.499 -3.081) 14.283 10.409 ( -3.265 -2.138 0.707) 3.966 10.645 ( -0.025 2.564 1.266) 2.860 10.970 ( 2.322 -4.151 1.488) 4.983 11.529 ( 11.023 0.517 -2.928) 11.417 12.029 ( 16.886 2.338 2.781) 17.273 12.724 ( -2.791 -1.626 1.286) 3.476 12.914 ( -0.317 -7.099 -2.285) 7.465 13.416 ( -1.892 6.239 -1.985) 6.815 13.883 ( 4.478 3.590 4.324) 7.186 14.001 ( 3.102 4.873 -0.003) 5.777 14.176 ( -0.457 -2.448 -1.507) 2.911 14.643 ( -3.777 3.661 3.272) 6.195 14.831 ( -9.259 3.789 -3.313) 10.538 15.054 ( -1.695 -3.650 3.718) 5.479 15.379 ( -4.116 -1.521 -0.067) 4.388 16.534 ( -4.395 -0.091 -1.992) 4.826 16.811 ( 0.918 1.458 1.089) 2.038 17.423 ( -16.900 6.512 -0.423) 18.116 17.707 ( -14.114 7.968 -1.533) 16.280 18.198 ( 1.206 1.412 4.071) 4.474 18.239 ( 6.918 -0.178 0.697) 6.956 18.538 ( -2.609 0.470 -5.976) 6.537 19.006 ( 4.815 1.368 -1.652) 5.271 19.477 ( 2.436 -1.416 1.906) 3.402 19.529 ( 5.645 -3.789 -1.112) 6.890 19.922 ( -1.716 -3.673 0.093) 4.055 20.439 ( 0.095 -1.514 1.062) 1.851 20.844 ( 4.022 5.796 1.980) 7.327 21.100 ( 3.679 4.258 -5.292) 7.725 21.774 ( -7.400 -6.856 3.175) 10.575 22.027 ( -4.412 -10.090 -1.003) 11.058 ======================= Grid point 278 (94/144) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.336 ( 9.680 12.104 2.520) 15.702 2.668 ( 6.706 5.939 -5.114) 10.314 2.898 ( 11.682 3.596 11.380) 16.701 3.268 ( 5.527 1.166 -4.632) 7.305 3.748 ( -0.556 11.635 -1.633) 11.762 3.960 ( -1.487 11.875 -3.265) 12.406 4.224 ( -3.112 0.546 2.137) 3.815 4.658 ( -5.350 -0.530 -0.108) 5.378 4.994 ( 3.538 2.555 4.049) 5.953 5.122 ( 3.291 4.453 2.703) 6.162 5.394 ( 7.005 -3.389 5.019) 9.260 5.704 ( 7.303 -4.896 -4.267) 9.773 5.952 ( 5.548 0.134 1.236) 5.686 6.050 ( 0.965 2.315 -0.610) 2.581 6.433 ( -2.974 -5.496 -4.423) 7.656 6.898 ( -2.867 -5.018 -2.999) 6.511 7.023 ( 3.980 -1.339 -4.608) 6.235 7.106 ( 2.109 -5.112 1.253) 5.670 7.405 ( -0.392 0.077 -3.117) 3.142 7.691 ( -1.182 -3.951 6.910) 8.047 7.714 ( -0.082 -9.601 0.759) 9.631 8.114 ( -2.457 -7.860 4.969) 9.619 8.356 ( 0.858 -9.139 1.148) 9.251 8.455 ( -6.762 -3.902 -8.363) 11.441 8.857 ( -0.823 -0.850 9.124) 9.200 9.135 ( -7.918 -6.485 0.144) 10.236 9.484 ( -3.077 0.234 -6.544) 7.235 9.718 ( -5.631 -2.713 1.280) 6.380 9.912 ( -12.171 1.652 -2.238) 12.485 10.339 ( -3.739 -0.909 -1.752) 4.228 10.653 ( 0.713 2.603 5.372) 6.012 10.963 ( -1.396 1.091 3.781) 4.176 11.877 ( 21.427 -0.437 -1.941) 21.519 12.352 ( 14.230 2.189 3.461) 14.807 12.695 ( 0.126 0.370 -1.539) 1.588 12.899 ( -1.256 -6.168 -4.659) 7.831 13.380 ( -1.978 4.361 -2.976) 5.638 13.938 ( -0.606 6.113 1.190) 6.258 14.026 ( -2.526 -1.427 -0.781) 3.004 14.155 ( 1.683 6.434 2.468) 7.093 14.534 ( -10.240 7.037 0.558) 12.437 14.669 ( -2.418 1.527 -0.736) 2.953 15.065 ( 1.594 -0.069 3.905) 4.218 15.273 ( -5.137 0.459 0.295) 5.166 16.444 ( -4.514 1.037 -1.541) 4.881 16.811 ( -1.999 0.257 1.374) 2.439 17.076 ( -14.478 6.021 0.940) 15.708 17.453 ( -11.296 5.264 -3.184) 12.863 18.193 ( 0.134 1.156 0.845) 1.439 18.390 ( 4.128 0.734 -0.598) 4.236 18.554 ( 6.053 -1.537 -2.166) 6.610 19.107 ( 4.588 2.044 1.604) 5.273 19.436 ( -2.852 -0.807 0.742) 3.056 19.671 ( 4.512 0.008 0.701) 4.566 19.929 ( 2.465 -7.606 0.181) 7.998 20.396 ( -4.089 -2.552 1.579) 5.072 20.930 ( 4.241 4.331 1.399) 6.221 21.153 ( 1.439 2.533 -3.020) 4.196 21.652 ( -4.137 -6.546 0.810) 7.786 21.917 ( -6.143 -9.500 -2.941) 11.689 ======================= Grid point 279 (95/144) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 6.687 8.306 0.566) 10.678 2.725 ( -0.719 7.877 -0.729) 7.943 3.160 ( 12.827 3.523 10.301) 16.825 3.374 ( 4.116 3.519 -2.500) 5.964 3.756 ( 0.979 9.958 -2.530) 10.321 3.952 ( -0.132 12.850 -7.432) 14.845 4.161 ( -1.576 -3.085 1.206) 3.668 4.468 ( -11.561 -3.389 -3.537) 12.556 5.050 ( 1.390 4.556 3.162) 5.718 5.211 ( 5.142 4.979 3.752) 8.081 5.561 ( 8.016 -4.489 5.091) 10.504 5.793 ( 0.625 -6.384 -2.428) 6.859 6.068 ( 4.615 -0.220 -0.623) 4.662 6.088 ( 2.804 7.683 0.826) 8.220 6.433 ( 3.626 -5.036 -2.244) 6.599 6.771 ( -8.501 -6.263 -2.764) 10.915 7.106 ( 3.786 1.697 -2.923) 5.075 7.206 ( 6.819 -3.579 1.481) 7.842 7.426 ( 0.574 -1.527 0.353) 1.669 7.594 ( -3.245 0.284 6.233) 7.033 7.758 ( 1.079 -16.566 -1.032) 16.634 8.054 ( -2.665 -8.619 1.156) 9.095 8.227 ( -10.075 -2.038 -6.171) 11.989 8.457 ( 3.508 -17.055 1.874) 17.512 8.742 ( -9.163 -5.565 4.806) 11.748 9.034 ( -1.340 -1.187 2.796) 3.320 9.460 ( 0.054 -2.178 -4.471) 4.974 9.619 ( -3.489 -2.973 -2.795) 5.369 9.715 ( -7.097 1.568 -1.820) 7.493 10.264 ( -3.180 0.352 -2.133) 3.845 10.670 ( 0.831 0.912 6.827) 6.938 10.946 ( -0.271 4.223 5.450) 6.899 12.329 ( 21.374 -0.362 1.027) 21.402 12.589 ( 9.011 1.849 1.672) 9.349 12.722 ( 1.741 1.930 -3.870) 4.662 12.857 ( -2.968 -3.417 -5.443) 7.079 13.332 ( -2.650 2.235 -2.624) 4.348 13.797 ( -11.728 5.109 2.999) 13.139 13.957 ( -1.938 4.122 -4.022) 6.077 14.222 ( -0.967 7.872 0.788) 7.970 14.381 ( 0.999 6.176 1.765) 6.500 14.633 ( -3.444 0.641 -1.181) 3.697 15.101 ( 2.392 2.094 4.822) 5.776 15.210 ( -1.352 2.687 1.281) 3.269 16.360 ( -3.238 2.544 -1.283) 4.313 16.653 ( -10.611 1.478 2.041) 10.906 16.970 ( 2.258 1.506 -0.825) 2.837 17.244 ( -9.232 3.124 -2.671) 10.105 18.205 ( 0.758 2.361 -1.610) 2.956 18.419 ( 0.178 2.297 -0.692) 2.405 18.748 ( 10.995 -3.600 1.010) 11.613 19.131 ( -3.702 -0.951 3.951) 5.497 19.429 ( 3.161 2.127 -0.820) 3.897 19.689 ( -2.013 4.620 1.557) 5.274 20.017 ( 5.579 -9.666 0.370) 11.167 20.286 ( -6.346 -4.460 0.999) 7.820 21.009 ( 3.302 3.009 1.077) 4.595 21.160 ( -0.598 1.627 -0.114) 1.737 21.618 ( 0.801 -7.126 -1.779) 7.388 21.789 ( -6.154 -8.980 -3.893) 11.561 ======================= Grid point 280 (96/144) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 0.000 4.584 -0.648) 4.629 2.691 ( -0.000 9.582 2.613) 9.932 3.344 ( -0.000 12.482 0.802) 12.507 3.385 ( 0.000 -1.238 7.885) 7.981 3.786 ( 0.000 6.420 -0.335) 6.429 3.920 ( -0.000 15.137 -9.248) 17.738 4.208 ( 0.000 -4.685 -6.343) 7.885 4.279 ( -0.000 -4.659 -0.841) 4.734 5.062 ( 0.000 4.412 2.824) 5.238 5.273 ( -0.000 5.526 4.062) 6.859 5.668 ( 0.000 -2.174 2.211) 3.101 5.769 ( -0.000 -9.128 2.771) 9.540 6.116 ( -0.000 0.427 -4.649) 4.669 6.122 ( 0.000 8.622 0.489) 8.636 6.575 ( 0.000 -0.428 2.688) 2.722 6.584 ( -0.000 -9.180 -3.339) 9.769 7.156 ( 0.000 1.161 -4.409) 4.560 7.301 ( -0.000 -0.639 2.071) 2.168 7.405 ( 0.000 -4.500 5.216) 6.889 7.582 ( 0.000 2.928 3.391) 4.480 7.766 ( 0.000 -18.596 -0.654) 18.608 8.052 ( -0.000 -6.788 -2.623) 7.277 8.066 ( 0.000 -7.680 -4.820) 9.068 8.516 ( 0.000 -16.829 5.989) 17.863 8.612 ( -0.000 -8.392 -2.095) 8.650 9.027 ( 0.000 0.951 5.920) 5.996 9.465 ( 0.000 -3.807 -3.394) 5.100 9.590 ( 0.000 -4.680 -7.631) 8.952 9.633 ( -0.000 3.699 0.716) 3.768 10.229 ( 0.000 1.042 -2.016) 2.269 10.680 ( 0.000 -0.425 6.865) 6.878 10.944 ( 0.000 5.494 6.379) 8.419 12.640 ( -0.000 -0.030 -0.205) 0.207 12.655 ( 0.000 2.307 0.478) 2.356 12.770 ( 0.000 1.134 -2.232) 2.504 12.776 ( -0.000 -1.803 -4.251) 4.617 13.294 ( 0.000 0.045 -1.421) 1.422 13.639 ( 0.000 9.966 1.761) 10.120 13.938 ( 0.000 3.763 -4.374) 5.770 14.175 ( 0.000 7.020 -2.119) 7.333 14.479 ( -0.000 3.993 1.385) 4.227 14.543 ( 0.000 2.358 0.668) 2.451 15.148 ( -0.000 5.600 2.716) 6.224 15.188 ( 0.000 0.861 4.317) 4.402 16.327 ( -0.000 3.320 -1.254) 3.548 16.528 ( 0.000 0.962 1.611) 1.877 17.046 ( 0.000 -1.180 -2.401) 2.675 17.104 ( -0.000 3.865 -1.136) 4.029 18.214 ( -0.000 2.974 -2.601) 3.951 18.419 ( 0.000 2.767 0.065) 2.767 18.932 ( 0.000 -6.912 1.936) 7.178 19.014 ( 0.000 0.654 3.442) 3.504 19.495 ( 0.000 2.878 -0.334) 2.897 19.644 ( 0.000 5.872 1.908) 6.174 20.117 ( 0.000 -9.424 0.090) 9.424 20.177 ( -0.000 -5.263 0.770) 5.319 21.048 ( 0.000 2.352 0.280) 2.368 21.147 ( 0.000 1.560 1.942) 2.491 21.666 ( -0.000 -6.649 -3.835) 7.676 21.688 ( 0.000 -9.680 -3.251) 10.211 ======================= Grid point 286 (97/144) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 0.000 8.967 6.965) 11.354 2.323 ( 0.000 -1.020 -1.839) 2.103 2.611 ( 0.000 11.381 4.935) 12.405 2.984 ( 0.000 -6.499 -12.528) 14.113 4.180 ( 0.000 5.862 3.128) 6.644 4.243 ( 0.000 3.239 0.420) 3.267 4.429 ( 0.000 5.710 6.788) 8.870 4.612 ( 0.000 -6.184 -0.138) 6.185 4.737 ( 0.000 6.127 4.067) 7.353 4.845 ( 0.000 -1.881 0.072) 1.883 5.412 ( 0.000 8.235 2.848) 8.713 5.542 ( 0.000 4.680 -1.903) 5.052 6.043 ( 0.000 1.792 1.824) 2.557 6.139 ( 0.000 -0.680 -3.574) 3.638 6.520 ( 0.000 0.802 4.596) 4.666 6.684 ( 0.000 -2.178 -1.919) 2.903 6.838 ( 0.000 -2.237 -8.400) 8.693 6.854 ( 0.000 -8.282 -7.146) 10.939 7.488 ( 0.000 0.555 6.587) 6.611 7.555 ( 0.000 -0.033 1.782) 1.783 7.846 ( 0.000 -1.951 5.118) 5.477 7.885 ( 0.000 -5.903 3.133) 6.683 8.480 ( 0.000 -1.526 2.381) 2.829 8.502 ( 0.000 -4.503 3.545) 5.731 8.953 ( 0.000 5.653 -2.920) 6.363 9.168 ( 0.000 -2.425 -10.143) 10.429 9.711 ( 0.000 -3.978 1.672) 4.316 9.827 ( 0.000 -7.483 -1.028) 7.554 10.482 ( 0.000 -1.041 -0.114) 1.048 10.526 ( 0.000 -3.386 0.791) 3.477 10.682 ( 0.000 1.053 -2.442) 2.659 10.692 ( 0.000 1.988 -6.878) 7.160 11.488 ( 0.000 0.628 2.229) 2.316 11.536 ( 0.000 -1.649 -0.840) 1.851 12.782 ( 0.000 -2.247 3.243) 3.945 12.804 ( 0.000 -3.944 1.848) 4.356 13.675 ( 0.000 3.333 4.681) 5.747 13.732 ( 0.000 1.321 1.787) 2.223 13.941 ( 0.000 5.996 3.027) 6.716 14.108 ( 0.000 -1.910 -5.044) 5.394 14.794 ( 0.000 2.708 7.413) 7.892 14.972 ( 0.000 -4.338 8.203) 9.279 15.130 ( 0.000 -0.421 -6.956) 6.969 15.293 ( 0.000 -6.021 -6.004) 8.503 16.735 ( 0.000 1.521 -1.217) 1.948 16.747 ( 0.000 1.195 -1.512) 1.927 17.958 ( 0.000 5.191 0.623) 5.228 17.987 ( 0.000 5.222 -0.974) 5.312 18.264 ( 0.000 -0.600 9.330) 9.349 18.340 ( 0.000 -1.016 5.817) 5.905 18.648 ( 0.000 -0.679 -7.241) 7.273 18.703 ( 0.000 -0.820 -9.216) 9.252 19.380 ( 0.000 0.569 -2.845) 2.901 19.384 ( 0.000 0.087 -2.112) 2.114 20.127 ( 0.000 1.415 2.521) 2.891 20.247 ( 0.000 -3.260 -3.785) 4.995 20.909 ( 0.000 8.602 2.738) 9.027 21.068 ( 0.000 2.457 -6.219) 6.687 21.854 ( 0.000 -6.008 5.905) 8.424 21.914 ( 0.000 -7.594 1.749) 7.792 ======================= Grid point 287 (98/144) ======================= q-point: ( 0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 5.598 7.980 3.779) 10.455 2.384 ( 5.433 0.743 0.265) 5.490 2.676 ( 6.113 9.754 4.540) 12.374 3.017 ( 2.913 -6.336 -10.576) 12.668 4.118 ( -6.096 5.071 2.650) 8.360 4.205 ( -4.115 0.649 1.037) 4.293 4.370 ( -0.634 6.233 0.695) 6.304 4.689 ( 2.324 3.065 5.561) 6.762 4.834 ( 9.146 -1.519 3.567) 9.934 4.865 ( 2.746 -0.954 1.385) 3.220 5.382 ( -2.462 5.134 2.227) 6.114 5.538 ( -0.437 4.208 -2.542) 4.936 5.976 ( -3.840 1.437 -0.811) 4.179 6.172 ( 1.089 6.785 -3.289) 7.619 6.471 ( -3.632 -2.352 3.985) 5.882 6.711 ( 2.396 -4.931 -1.974) 5.827 6.821 ( 0.917 -3.663 -9.078) 9.832 6.929 ( 3.586 -6.794 -3.715) 8.533 7.492 ( 0.327 0.969 6.565) 6.644 7.543 ( -1.191 -0.419 2.243) 2.574 7.795 ( -2.079 -1.625 0.773) 2.750 7.937 ( 2.144 -6.185 6.459) 9.196 8.340 ( -6.930 -3.649 0.713) 7.864 8.643 ( 6.915 -2.796 5.086) 9.028 8.862 ( -7.314 6.066 -6.004) 11.240 9.177 ( -0.458 -4.587 -5.760) 7.377 9.655 ( -4.460 -4.538 -3.104) 7.079 9.830 ( -0.501 -4.205 3.166) 5.288 10.415 ( -4.515 -2.783 0.658) 5.344 10.517 ( -7.355 4.749 -3.038) 9.267 10.655 ( 2.577 -2.433 -3.534) 5.005 10.761 ( 5.733 -0.655 -1.221) 5.898 11.451 ( 0.129 0.163 -1.181) 1.200 11.720 ( 13.895 -0.327 3.119) 14.245 12.749 ( -2.517 -1.547 2.078) 3.612 12.802 ( -0.470 -4.681 0.997) 4.809 13.592 ( -4.354 4.011 1.110) 6.023 13.805 ( 3.854 1.172 5.886) 7.132 13.996 ( 3.765 1.352 -0.306) 4.012 14.153 ( 4.520 2.997 -2.408) 5.933 14.758 ( -2.779 1.386 5.423) 6.249 14.954 ( -1.379 -2.423 5.169) 5.873 15.082 ( -4.693 0.947 -5.129) 7.016 15.310 ( 0.787 -6.787 -3.584) 7.716 16.635 ( -5.346 0.630 -2.258) 5.837 16.817 ( 2.584 1.753 0.696) 3.199 17.800 ( -10.489 4.766 -1.654) 11.639 18.086 ( 0.734 3.934 1.672) 4.338 18.161 ( -5.436 2.915 2.294) 6.581 18.262 ( -5.163 -0.539 5.698) 7.708 18.618 ( -3.118 0.701 -6.251) 7.021 18.830 ( 9.436 -3.852 -5.076) 11.386 19.310 ( 0.519 -0.817 -1.672) 1.932 19.488 ( 2.823 -0.011 -0.497) 2.867 19.992 ( -6.956 0.144 -1.290) 7.076 20.356 ( 5.045 -1.829 0.313) 5.375 20.920 ( 1.238 7.417 1.135) 7.605 21.110 ( 3.468 3.233 -5.269) 7.088 21.795 ( -5.091 -4.798 5.025) 8.613 21.899 ( -1.908 -8.530 1.499) 8.869 ======================= Grid point 288 (99/144) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( 10.806 8.152 1.517) 13.620 2.526 ( 8.452 0.966 0.833) 8.548 2.824 ( 7.072 6.866 3.670) 10.518 3.096 ( 5.181 -5.643 -5.651) 9.520 3.962 ( -7.244 2.107 -1.400) 7.673 4.143 ( -2.192 2.964 2.406) 4.403 4.363 ( -1.269 5.319 -1.489) 5.668 4.716 ( 0.036 2.672 4.254) 5.023 4.934 ( 5.517 1.091 4.672) 7.312 5.042 ( 8.072 -1.731 5.617) 9.985 5.344 ( -0.386 2.665 2.577) 3.727 5.534 ( 1.383 -0.364 -5.970) 6.139 5.946 ( 1.236 3.657 -1.728) 4.229 6.170 ( -0.559 13.627 -4.296) 14.299 6.411 ( -2.048 -3.792 2.640) 5.054 6.773 ( 1.850 -7.089 -2.006) 7.596 6.839 ( 1.731 -8.006 -5.550) 9.894 6.985 ( 2.226 -4.710 -1.671) 5.471 7.490 ( -0.965 2.207 2.211) 3.270 7.519 ( -0.771 -2.539 4.367) 5.110 7.764 ( -1.866 0.148 -1.276) 2.265 7.954 ( -0.015 -8.629 6.997) 11.110 8.216 ( -5.215 -5.355 -1.055) 7.549 8.679 ( -7.623 3.832 -1.394) 8.645 8.784 ( 3.898 -0.094 1.717) 4.260 9.118 ( -5.282 -8.291 -1.855) 10.004 9.562 ( -4.352 -1.971 -6.906) 8.397 9.785 ( -4.084 -1.463 4.431) 6.201 10.227 ( -13.499 0.783 -1.614) 13.618 10.397 ( -3.776 0.978 -3.251) 5.078 10.675 ( 0.447 0.232 2.188) 2.245 10.912 ( 6.184 -1.611 2.251) 6.776 11.543 ( 10.518 0.850 -3.797) 11.214 12.046 ( 16.907 -0.216 6.000) 17.941 12.705 ( -1.265 -0.244 -0.481) 1.375 12.794 ( -0.029 -5.052 -1.920) 5.405 13.517 ( -3.240 3.851 -1.083) 5.148 13.885 ( 4.011 0.640 5.735) 7.028 14.043 ( 0.618 -3.074 -2.846) 4.234 14.265 ( 5.538 9.632 1.299) 11.186 14.701 ( -2.974 2.709 1.680) 4.360 14.926 ( -6.432 -0.633 0.977) 6.537 14.967 ( -0.388 1.269 0.334) 1.369 15.289 ( -3.193 -6.994 -1.849) 7.908 16.537 ( -4.116 0.215 -2.037) 4.597 16.843 ( -0.048 1.501 3.298) 3.624 17.529 ( -16.077 4.335 -3.473) 17.010 17.850 ( -15.524 6.422 1.103) 16.836 18.174 ( -0.221 -2.709 0.963) 2.883 18.278 ( 6.838 2.936 1.732) 7.640 18.536 ( -3.631 -0.612 -5.838) 6.903 19.017 ( 8.233 0.055 0.215) 8.236 19.398 ( 6.476 -5.148 -0.181) 8.275 19.490 ( -1.080 -0.515 1.190) 1.687 19.905 ( -2.009 0.644 -2.421) 3.211 20.406 ( -0.246 -1.722 2.635) 3.157 20.962 ( 2.716 5.848 -0.532) 6.470 21.177 ( 2.552 3.419 -4.212) 5.995 21.673 ( -6.368 -3.239 3.682) 8.037 21.833 ( -4.414 -9.409 -0.024) 10.393 ======================= Grid point 289 (100/144) ======================= q-point: ( 0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 6.692 8.106 0.782) 10.540 2.744 ( 12.415 1.383 0.686) 12.511 2.924 ( 3.749 0.655 4.143) 5.625 3.243 ( 8.992 -1.851 0.479) 9.193 3.877 ( -0.663 1.824 -6.169) 6.467 4.101 ( -2.102 3.816 2.560) 5.053 4.308 ( -4.072 4.301 -2.275) 6.345 4.642 ( -8.150 -0.274 0.305) 8.161 5.050 ( 3.272 1.906 4.768) 6.089 5.146 ( 5.613 0.066 5.956) 8.184 5.402 ( 5.726 1.567 3.476) 6.879 5.643 ( 8.542 -1.354 -5.201) 10.092 6.005 ( 3.589 4.396 -1.919) 5.991 6.189 ( 3.379 13.672 -0.811) 14.107 6.379 ( -1.161 -0.687 -0.932) 1.640 6.738 ( -3.400 -8.033 -3.998) 9.596 6.930 ( 5.688 -10.931 0.992) 12.362 7.036 ( 3.026 -2.916 -1.337) 4.410 7.448 ( -3.342 -0.099 -0.400) 3.367 7.514 ( 0.465 -2.231 2.350) 3.274 7.696 ( -4.539 0.111 -1.823) 4.893 7.950 ( -1.011 -9.180 4.584) 10.311 8.137 ( -2.038 -9.134 -1.444) 9.469 8.494 ( -10.421 5.151 -1.063) 11.673 8.804 ( -5.127 -5.959 7.181) 10.647 9.014 ( -2.128 -4.246 -2.687) 5.457 9.482 ( -3.446 0.279 -7.055) 7.856 9.671 ( -6.578 -2.380 1.658) 7.189 9.950 ( -12.352 1.826 -2.444) 12.723 10.327 ( -3.291 -0.311 -3.149) 4.566 10.685 ( 0.158 0.690 7.577) 7.610 10.981 ( 1.713 0.872 4.746) 5.121 11.884 ( 21.493 0.876 -3.000) 21.719 12.363 ( 13.768 -0.753 6.828) 15.386 12.709 ( 1.554 0.779 -3.709) 4.097 12.807 ( 1.149 -3.212 -4.883) 5.957 13.449 ( -3.701 2.657 -3.313) 5.633 13.943 ( 0.495 -0.805 4.121) 4.228 14.017 ( -2.676 -1.238 -3.558) 4.621 14.372 ( 5.213 12.730 2.960) 14.071 14.625 ( -5.399 2.985 0.682) 6.207 14.738 ( -8.335 3.535 0.850) 9.093 15.033 ( 2.977 -1.936 3.786) 5.190 15.211 ( -2.373 -5.773 -2.376) 6.679 16.472 ( -2.329 1.467 -1.336) 3.060 16.809 ( -3.756 -0.182 5.047) 6.293 17.192 ( -15.174 5.220 -5.003) 16.809 17.539 ( -14.420 3.335 -0.639) 14.815 18.194 ( 2.063 -0.831 -1.402) 2.629 18.416 ( 4.335 2.271 -0.453) 4.915 18.522 ( 4.078 -2.159 -2.119) 5.077 19.140 ( 3.049 1.420 4.094) 5.298 19.432 ( 0.148 0.535 0.305) 0.633 19.593 ( 8.576 -6.351 0.425) 10.680 19.878 ( -1.174 0.639 -1.375) 1.918 20.349 ( -5.218 -2.173 3.407) 6.600 21.024 ( 3.276 4.981 -0.826) 6.019 21.204 ( 0.172 2.316 -3.304) 4.038 21.559 ( -4.442 -2.577 2.025) 5.520 21.729 ( -5.581 -9.458 -1.668) 11.107 ======================= Grid point 290 (101/144) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 2.827 4.094 -0.151) 4.978 2.849 ( -0.911 4.787 1.273) 5.036 3.133 ( 14.966 -2.827 8.086) 17.244 3.413 ( 6.093 1.055 4.658) 7.742 3.918 ( 3.523 3.823 -8.626) 10.072 4.074 ( 0.771 2.613 0.323) 2.744 4.202 ( -6.199 4.228 -3.642) 8.340 4.413 ( -12.736 -1.833 -3.461) 13.324 5.072 ( 0.428 -2.081 1.991) 2.912 5.288 ( 6.002 2.811 8.480) 10.763 5.534 ( 6.538 -1.237 2.009) 6.951 5.781 ( 2.850 6.604 -1.446) 7.337 6.084 ( 4.461 1.130 -0.528) 4.632 6.287 ( 3.702 11.600 0.513) 12.187 6.389 ( 3.771 2.047 -3.024) 5.249 6.667 ( -3.580 -2.665 -2.016) 4.897 7.053 ( 6.255 -11.686 2.118) 13.423 7.110 ( 4.375 -5.198 -2.815) 7.355 7.351 ( -5.809 -8.593 0.717) 10.397 7.535 ( 0.167 1.690 -3.445) 3.841 7.615 ( -2.137 -1.833 0.595) 2.878 7.905 ( -1.815 -6.307 -0.253) 6.568 8.138 ( -0.376 -10.599 -1.967) 10.786 8.260 ( -10.285 1.048 5.597) 11.756 8.608 ( -10.849 -7.416 1.181) 13.195 9.027 ( 1.290 -0.126 3.253) 3.501 9.428 ( -1.790 -0.020 -6.091) 6.349 9.552 ( -4.270 -3.965 -3.511) 6.803 9.759 ( -6.405 1.995 -0.947) 6.775 10.268 ( -2.259 0.120 -3.095) 3.833 10.677 ( -0.733 -0.075 9.091) 9.121 11.013 ( 1.388 2.553 7.158) 7.726 12.341 ( 21.667 1.281 -0.102) 21.705 12.601 ( 9.786 -0.489 3.704) 10.475 12.748 ( 1.285 0.526 -5.800) 5.964 12.821 ( -0.399 -0.388 -4.756) 4.788 13.361 ( -4.904 0.965 -3.786) 6.270 13.866 ( -6.172 2.459 2.364) 7.052 13.984 ( -0.978 -0.512 -3.582) 3.749 14.399 ( -6.478 8.668 0.704) 10.844 14.514 ( -0.270 6.357 2.352) 6.783 14.660 ( -0.619 3.122 -0.650) 3.248 15.060 ( 1.910 -6.612 4.773) 8.375 15.226 ( 1.564 0.327 1.597) 2.259 16.438 ( -0.990 4.613 -1.054) 4.834 16.671 ( -8.769 0.184 1.539) 8.905 17.004 ( -2.887 1.902 -3.492) 4.914 17.284 ( -10.269 0.985 -0.909) 10.356 18.243 ( 2.304 1.494 -3.142) 4.173 18.445 ( 0.268 0.862 -2.178) 2.358 18.682 ( 9.111 -3.104 1.740) 9.781 19.116 ( -4.662 -0.474 5.491) 7.219 19.497 ( 5.579 5.026 -0.444) 7.522 19.739 ( 3.868 -1.713 1.345) 4.439 19.865 ( 1.304 -4.147 -0.266) 4.355 20.209 ( -7.861 -3.255 2.762) 8.946 21.087 ( 2.682 4.854 -0.709) 5.591 21.196 ( -0.712 1.640 -1.951) 2.646 21.502 ( -1.126 -4.571 -0.041) 4.708 21.619 ( -4.961 -8.119 -2.313) 9.792 ======================= Grid point 291 (102/144) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 0.000 1.982 -0.614) 2.075 2.828 ( -0.000 4.668 2.679) 5.382 3.350 ( 0.000 -1.349 6.886) 7.017 3.442 ( 0.000 1.350 11.061) 11.143 3.969 ( 0.000 7.519 -9.075) 11.785 4.105 ( -0.000 4.452 -4.907) 6.625 4.159 ( 0.000 -0.028 -4.953) 4.953 4.204 ( -0.000 -3.068 -3.066) 4.337 5.077 ( 0.000 -2.628 1.636) 3.096 5.351 ( 0.000 2.094 8.870) 9.113 5.621 ( 0.000 -4.900 -0.877) 4.978 5.784 ( 0.000 12.967 3.189) 13.353 6.140 ( 0.000 0.086 -1.353) 1.355 6.312 ( 0.000 6.466 -0.928) 6.532 6.481 ( 0.000 3.730 -2.906) 4.728 6.607 ( -0.000 5.636 0.751) 5.686 7.141 ( -0.000 -5.290 -0.650) 5.330 7.176 ( -0.000 -16.424 1.494) 16.492 7.268 ( 0.000 -8.596 -4.254) 9.592 7.508 ( 0.000 -2.843 -3.882) 4.812 7.606 ( 0.000 -1.813 3.195) 3.674 7.970 ( -0.006 0.088 1.676) 1.678 7.971 ( 0.006 -2.796 -3.798) 4.716 8.232 ( 0.000 -12.237 6.227) 13.730 8.469 ( -0.000 -5.657 -1.660) 5.895 9.039 ( 0.000 -0.044 5.738) 5.738 9.408 ( 0.000 -0.989 -5.066) 5.162 9.513 ( 0.000 -3.847 -7.788) 8.686 9.692 ( 0.000 2.182 0.957) 2.383 10.244 ( 0.000 0.554 -2.987) 3.038 10.667 ( 0.000 -0.716 8.916) 8.945 11.028 ( 0.000 3.081 8.484) 9.026 12.658 ( -0.000 1.483 -1.311) 1.980 12.693 ( 0.000 1.573 -1.622) 2.260 12.750 ( -0.000 -1.027 -3.197) 3.358 12.786 ( 0.000 0.461 -0.972) 1.076 13.290 ( 0.000 -0.227 -2.527) 2.537 13.787 ( 0.000 5.621 1.456) 5.806 13.973 ( 0.000 -0.236 -4.144) 4.151 14.299 ( 0.000 5.331 -2.572) 5.918 14.520 ( 0.000 0.572 1.352) 1.467 14.662 ( 0.000 10.005 1.041) 10.059 15.105 ( -0.000 -8.707 4.032) 9.595 15.231 ( 0.000 2.925 5.580) 6.300 16.433 ( -0.000 6.470 -1.809) 6.718 16.558 ( 0.000 1.834 -0.756) 1.984 17.001 ( 0.000 -3.084 -2.894) 4.230 17.160 ( -0.000 1.924 -0.016) 1.924 18.269 ( 0.000 2.575 -4.021) 4.775 18.447 ( 0.000 0.479 -1.487) 1.562 18.808 ( 0.000 -5.409 2.053) 5.785 19.033 ( 0.000 1.037 5.415) 5.513 19.581 ( -0.000 6.152 -0.271) 6.158 19.742 ( 0.000 3.950 2.161) 4.503 19.926 ( 0.000 -10.177 -0.212) 10.179 20.093 ( -0.000 -3.281 2.356) 4.039 21.119 ( -0.000 4.795 -1.221) 4.948 21.185 ( 0.000 2.129 -0.417) 2.169 21.502 ( -0.000 -9.126 -2.380) 9.431 21.554 ( 0.000 -4.638 -1.287) 4.813 ======================= Grid point 297 (103/144) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 0.000 -5.498 0.991) 5.586 2.254 ( 0.000 5.498 0.991) 5.586 2.823 ( 0.000 -10.095 -2.791) 10.474 2.823 ( 0.000 10.095 -2.791) 10.474 4.245 ( 0.000 -1.891 0.276) 1.912 4.245 ( 0.000 1.891 0.276) 1.912 4.511 ( 0.000 -2.720 3.350) 4.316 4.511 ( 0.000 2.720 3.350) 4.316 4.812 ( 0.000 -2.257 1.348) 2.629 4.812 ( 0.000 2.257 1.348) 2.629 5.560 ( 0.000 -3.844 -0.582) 3.888 5.560 ( 0.000 3.844 -0.582) 3.888 6.082 ( 0.000 -2.118 4.065) 4.583 6.082 ( 0.000 2.118 4.065) 4.583 6.637 ( 0.000 -5.209 -1.577) 5.442 6.637 ( 0.000 5.209 -1.577) 5.442 6.773 ( 0.000 -1.432 -8.479) 8.599 6.773 ( 0.000 1.432 -8.479) 8.599 7.519 ( 0.000 -2.683 6.906) 7.409 7.519 ( 0.000 2.683 6.906) 7.409 7.825 ( 0.000 -0.108 4.728) 4.730 7.825 ( 0.000 0.108 4.728) 4.730 8.460 ( 0.000 -0.004 1.821) 1.821 8.460 ( 0.000 0.004 1.821) 1.821 9.078 ( 0.000 -6.293 -6.119) 8.777 9.078 ( 0.000 6.293 -6.119) 8.777 9.708 ( 0.000 -3.129 -2.218) 3.835 9.708 ( 0.000 3.129 -2.218) 3.835 10.479 ( 0.000 -0.539 0.200) 0.575 10.479 ( 0.000 0.539 0.200) 0.575 10.707 ( 0.000 -0.135 -4.478) 4.480 10.707 ( 0.000 0.135 -4.478) 4.480 11.506 ( 0.000 -0.510 1.007) 1.129 11.506 ( 0.000 0.510 1.007) 1.129 12.762 ( 0.000 -0.424 2.833) 2.864 12.762 ( 0.000 0.424 2.833) 2.864 13.722 ( 0.000 -1.037 4.515) 4.633 13.722 ( 0.000 1.037 4.515) 4.633 14.051 ( 0.000 -3.901 -1.543) 4.195 14.051 ( 0.000 3.901 -1.543) 4.195 14.870 ( 0.000 -4.706 7.420) 8.786 14.870 ( 0.000 4.706 7.420) 8.786 15.183 ( 0.000 -4.901 -6.732) 8.327 15.183 ( 0.000 4.901 -6.732) 8.327 16.755 ( 0.000 -0.054 -1.374) 1.376 16.755 ( 0.000 0.054 -1.374) 1.376 18.032 ( 0.000 -0.526 0.366) 0.640 18.032 ( 0.000 0.526 0.366) 0.640 18.282 ( 0.000 -2.551 6.396) 6.886 18.282 ( 0.000 2.551 6.396) 6.886 18.671 ( 0.000 -2.071 -6.566) 6.885 18.671 ( 0.000 2.071 -6.566) 6.885 19.385 ( 0.000 -0.000 -2.676) 2.676 19.385 ( 0.000 0.000 -2.676) 2.676 20.177 ( 0.000 -2.147 -0.908) 2.331 20.177 ( 0.000 2.147 -0.908) 2.331 21.048 ( 0.000 -4.520 -1.958) 4.926 21.048 ( 0.000 4.520 -1.958) 4.926 21.814 ( 0.000 -1.994 3.775) 4.269 21.814 ( 0.000 1.994 3.775) 4.269 ======================= Grid point 299 (104/144) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 4.024 -0.000 -1.212) 4.202 2.380 ( 7.681 -0.000 2.334) 8.028 2.850 ( 4.398 -0.000 -1.113) 4.536 2.878 ( 3.299 0.000 -2.769) 4.307 4.150 ( -8.777 -0.000 -1.212) 8.860 4.210 ( -2.298 -0.000 1.927) 2.999 4.419 ( -0.854 -0.000 0.257) 0.892 4.705 ( 7.367 0.000 6.548) 9.856 4.840 ( 4.386 0.000 -1.186) 4.544 4.848 ( 3.686 0.000 4.659) 5.941 5.451 ( -5.600 -0.000 -2.191) 6.013 5.588 ( -1.589 0.000 -0.359) 1.629 5.989 ( -2.226 0.000 0.902) 2.402 6.228 ( 6.894 0.000 6.608) 9.549 6.570 ( -5.269 0.000 -5.195) 7.400 6.584 ( -1.838 -0.000 -2.315) 2.955 6.786 ( -0.218 0.000 -7.328) 7.332 6.848 ( 4.901 0.000 -4.203) 6.457 7.503 ( -0.900 -0.000 6.336) 6.400 7.527 ( 0.009 0.000 7.338) 7.338 7.780 ( -0.848 0.000 0.884) 1.225 7.876 ( 1.217 0.000 6.411) 6.526 8.303 ( -7.548 0.000 -1.358) 7.669 8.609 ( 6.696 0.000 5.018) 8.368 8.968 ( -6.946 0.000 -9.088) 11.439 9.088 ( -2.421 0.000 -1.886) 3.069 9.612 ( -4.220 0.000 -7.414) 8.530 9.783 ( 2.048 0.000 3.712) 4.240 10.389 ( -4.680 0.000 0.675) 4.729 10.576 ( -8.593 -0.000 -5.777) 10.354 10.610 ( 6.127 0.000 -0.375) 6.139 10.764 ( 3.836 0.000 -1.957) 4.306 11.453 ( 0.589 0.000 -1.518) 1.629 11.714 ( 14.101 -0.000 4.263) 14.731 12.743 ( -1.587 0.000 2.573) 3.023 12.746 ( -1.320 0.000 0.671) 1.481 13.628 ( -4.003 0.000 2.499) 4.719 13.825 ( 4.653 0.000 5.505) 7.207 13.993 ( -0.972 0.000 -2.433) 2.620 14.202 ( 9.102 0.000 0.282) 9.106 14.774 ( -3.682 -0.000 4.820) 6.066 14.910 ( -1.090 0.000 5.066) 5.182 15.147 ( -3.041 -0.000 -5.625) 6.394 15.198 ( 0.519 0.000 -3.762) 3.798 16.642 ( -5.724 0.000 -2.316) 6.174 16.835 ( 2.671 0.000 0.858) 2.805 17.852 ( -11.164 0.000 -1.582) 11.276 18.144 ( 1.902 0.000 3.855) 4.299 18.174 ( -4.217 0.000 2.758) 5.039 18.248 ( -5.795 -0.000 2.992) 6.522 18.629 ( -4.314 0.000 -6.249) 7.594 18.783 ( 10.370 0.000 -3.598) 10.976 19.302 ( -0.886 0.000 -2.066) 2.248 19.487 ( 2.500 0.000 -0.248) 2.512 19.996 ( -6.965 0.000 -3.136) 7.639 20.335 ( 5.365 0.000 1.570) 5.590 21.010 ( -0.357 -0.000 -2.367) 2.394 21.135 ( 4.705 0.000 -2.207) 5.196 21.759 ( -4.185 0.000 3.679) 5.573 21.796 ( -2.632 0.000 2.903) 3.919 ======================= Grid point 301 (105/144) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 12.607 -0.000 -0.434) 12.615 2.531 ( 6.422 -0.000 1.246) 6.542 2.931 ( 1.547 -0.000 -1.546) 2.187 2.999 ( 9.910 0.000 0.963) 9.957 3.971 ( -7.484 0.000 -3.239) 8.155 4.167 ( -1.855 -0.000 3.143) 3.649 4.400 ( -1.772 -0.000 -1.136) 2.104 4.748 ( -1.487 0.000 2.768) 3.142 4.971 ( 8.199 -0.000 7.422) 11.059 5.000 ( 7.707 0.000 3.144) 8.324 5.378 ( -0.833 0.000 -2.966) 3.081 5.530 ( -1.680 0.000 -2.553) 3.056 5.993 ( 2.424 0.000 -1.999) 3.142 6.330 ( 3.072 0.000 7.628) 8.223 6.473 ( -3.620 0.000 -6.360) 7.318 6.611 ( 4.173 -0.000 -0.348) 4.188 6.740 ( -3.880 0.000 -6.593) 7.650 6.936 ( 3.502 0.000 -1.546) 3.828 7.477 ( -1.957 -0.000 5.546) 5.881 7.527 ( 0.326 0.000 5.093) 5.103 7.786 ( 0.915 -0.000 -1.671) 1.905 7.850 ( -3.843 0.000 3.899) 5.475 8.161 ( -6.390 0.000 -2.757) 6.960 8.709 ( 1.805 0.000 10.889) 11.037 8.820 ( -7.262 0.000 -9.329) 11.822 9.002 ( -4.556 0.000 -2.367) 5.134 9.543 ( -2.748 0.000 -8.177) 8.626 9.770 ( -3.690 0.000 5.005) 6.218 10.230 ( -11.747 0.000 -0.931) 11.784 10.415 ( -5.900 0.000 -5.340) 7.957 10.671 ( 1.285 0.000 3.601) 3.824 10.901 ( 6.915 0.000 1.977) 7.192 11.553 ( 10.665 -0.000 -4.157) 11.446 12.040 ( 16.648 -0.000 7.491) 18.256 12.714 ( -0.894 0.000 0.154) 0.908 12.733 ( 0.667 -0.000 -3.222) 3.290 13.554 ( -3.522 0.000 -0.150) 3.525 13.907 ( 3.261 0.000 5.686) 6.555 13.995 ( 0.649 0.000 -3.815) 3.870 14.378 ( 7.504 0.000 3.580) 8.314 14.746 ( 0.156 0.000 0.765) 0.781 14.841 ( -5.171 -0.000 2.964) 5.960 15.075 ( -2.505 -0.000 -3.351) 4.184 15.170 ( -3.993 0.000 -1.423) 4.239 16.539 ( -4.051 0.000 -2.071) 4.550 16.859 ( -0.431 0.000 4.024) 4.047 17.574 ( -15.928 0.000 -4.082) 16.442 17.922 ( -16.865 0.000 2.755) 17.089 18.137 ( 0.502 -0.000 -0.401) 0.643 18.313 ( 6.947 -0.000 1.456) 7.098 18.527 ( -4.496 0.000 -6.039) 7.529 19.017 ( 10.845 0.000 1.485) 10.947 19.343 ( 4.134 0.000 -0.908) 4.233 19.486 ( -1.266 0.000 1.566) 2.014 19.915 ( -1.724 0.000 -3.761) 4.137 20.386 ( -0.282 0.000 3.709) 3.720 21.028 ( 1.994 -0.000 -2.781) 3.422 21.212 ( 2.369 0.000 -2.471) 3.423 21.660 ( -5.096 0.000 2.564) 5.705 21.714 ( -5.299 0.000 1.457) 5.496 ======================= Grid point 303 (106/144) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.857 -0.000 0.061) 2.857 2.737 ( 17.710 -0.000 3.105) 17.980 2.934 ( -1.135 0.000 0.217) 1.156 3.225 ( 11.591 -0.000 2.884) 11.945 3.885 ( -0.495 0.000 -6.716) 6.735 4.131 ( -1.751 -0.000 4.320) 4.662 4.340 ( -4.119 -0.000 -2.344) 4.739 4.647 ( -9.136 0.000 -0.437) 9.147 5.057 ( -0.882 0.000 2.025) 2.209 5.158 ( 9.410 -0.000 9.165) 13.135 5.416 ( 3.986 0.000 -2.162) 4.534 5.632 ( 11.456 0.000 -0.717) 11.478 6.064 ( 3.557 0.000 -3.113) 4.727 6.358 ( -0.415 0.000 4.905) 4.922 6.457 ( 2.959 0.000 -4.902) 5.726 6.665 ( -2.191 0.000 -5.896) 6.290 6.713 ( 4.929 -0.000 2.536) 5.544 6.988 ( 1.688 0.000 -0.454) 1.748 7.406 ( -5.399 0.000 3.440) 6.402 7.549 ( 1.729 0.000 2.085) 2.709 7.744 ( -5.921 -0.000 -2.488) 6.422 7.799 ( 0.228 0.000 -3.058) 3.067 8.050 ( -4.024 0.000 -0.272) 4.034 8.605 ( -11.871 0.000 14.929) 19.073 8.675 ( -7.321 -0.000 -7.896) 10.768 8.980 ( 2.090 0.000 -2.237) 3.061 9.491 ( -2.443 -0.000 -7.682) 8.061 9.641 ( -8.128 0.000 2.694) 8.562 9.969 ( -12.169 0.000 -2.515) 12.426 10.325 ( -3.468 0.000 -4.055) 5.336 10.689 ( 0.187 0.000 8.864) 8.866 10.991 ( 2.730 0.000 4.928) 5.634 11.896 ( 21.696 -0.000 -3.444) 21.968 12.350 ( 13.528 0.000 8.099) 15.767 12.717 ( 1.228 0.000 -3.722) 3.919 12.777 ( 3.121 0.000 -5.688) 6.488 13.475 ( -4.433 0.000 -3.117) 5.419 13.940 ( -0.464 0.000 4.598) 4.622 13.999 ( -0.650 0.000 -4.703) 4.747 14.523 ( 7.425 0.000 5.069) 8.990 14.702 ( -4.267 0.000 0.796) 4.340 14.707 ( -8.392 -0.000 3.377) 9.046 15.043 ( -7.220 0.000 -2.414) 7.613 15.117 ( 5.976 0.000 -0.693) 6.016 16.487 ( -0.982 -0.000 -1.435) 1.739 16.807 ( -4.972 0.000 6.590) 8.256 17.247 ( -14.743 0.000 -7.365) 16.480 17.572 ( -16.489 0.000 0.822) 16.510 18.182 ( 3.489 0.000 -2.355) 4.209 18.469 ( -1.346 -0.000 -4.856) 5.039 18.472 ( 8.549 0.000 2.238) 8.837 19.156 ( 1.692 0.000 5.528) 5.781 19.451 ( 6.421 -0.000 -0.426) 6.435 19.509 ( 4.722 0.000 0.358) 4.736 19.890 ( -1.278 0.000 -2.381) 2.702 20.325 ( -5.601 -0.000 4.596) 7.245 21.083 ( 3.321 -0.000 -2.611) 4.225 21.225 ( -0.776 0.000 -2.285) 2.413 21.571 ( -3.386 -0.000 1.066) 3.550 21.591 ( -6.493 0.000 -0.044) 6.493 ======================= Grid point 305 (107/144) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 0.980 0.000 -0.511) 1.105 2.897 ( -2.076 -0.000 1.792) 2.742 3.102 ( 17.091 0.000 6.858) 18.415 3.425 ( 6.589 -0.000 6.370) 9.165 3.940 ( 5.026 0.000 -9.322) 10.591 4.102 ( -0.461 -0.000 3.411) 3.442 4.239 ( -5.627 -0.000 -4.295) 7.078 4.400 ( -13.499 0.000 -3.703) 13.998 5.041 ( -0.289 0.000 0.608) 0.673 5.313 ( 5.161 0.000 9.743) 11.025 5.517 ( 5.280 0.000 -1.163) 5.406 5.879 ( 10.036 0.000 3.401) 10.596 6.102 ( 0.136 0.000 -0.901) 0.912 6.330 ( -1.331 0.000 -2.128) 2.510 6.607 ( 10.997 0.000 -2.820) 11.352 6.680 ( 3.691 0.000 -2.153) 4.273 6.790 ( 2.194 -0.000 1.599) 2.715 6.998 ( -1.538 0.000 -0.175) 1.548 7.274 ( -6.103 0.000 -1.740) 6.346 7.573 ( -0.318 0.000 0.121) 0.340 7.617 ( -6.347 0.000 -5.419) 8.346 7.823 ( 3.567 -0.000 -1.989) 4.084 8.026 ( 1.699 0.000 1.353) 2.172 8.298 ( -16.641 0.000 12.081) 20.564 8.517 ( -7.896 0.000 -4.995) 9.343 9.023 ( 1.342 0.000 3.062) 3.344 9.455 ( -0.710 -0.000 -9.640) 9.666 9.487 ( -6.050 0.000 -0.088) 6.051 9.779 ( -6.364 0.000 -0.889) 6.425 10.270 ( -1.918 0.000 -3.505) 3.996 10.675 ( -1.210 0.000 9.971) 10.044 11.038 ( 1.871 0.000 7.819) 8.040 12.358 ( 21.889 -0.000 -0.781) 21.903 12.591 ( 10.286 0.000 4.687) 11.304 12.750 ( 1.222 0.000 -6.649) 6.760 12.822 ( 0.383 0.000 -4.252) 4.269 13.370 ( -5.779 0.000 -4.080) 7.074 13.892 ( -3.431 0.000 3.297) 4.758 13.973 ( -1.399 0.000 -5.076) 5.266 14.495 ( -11.234 0.000 0.106) 11.235 14.560 ( -3.364 0.000 1.667) 3.754 14.755 ( 9.062 0.000 5.791) 10.754 14.935 ( -2.989 -0.000 -1.674) 3.426 15.230 ( 3.693 0.000 3.626) 5.176 16.493 ( 1.130 -0.000 -1.311) 1.731 16.667 ( -7.443 0.000 2.615) 7.889 17.027 ( -6.684 0.000 -5.804) 8.853 17.290 ( -10.473 -0.000 0.341) 10.478 18.258 ( 3.443 0.000 -3.858) 5.170 18.455 ( -0.389 0.000 -3.310) 3.333 18.647 ( 8.152 0.000 2.579) 8.550 19.112 ( -4.469 0.000 6.152) 7.604 19.598 ( 7.644 -0.000 0.005) 7.644 19.645 ( 7.226 0.000 0.499) 7.243 19.852 ( -2.700 0.000 -0.729) 2.796 20.175 ( -8.392 -0.000 4.126) 9.351 21.158 ( 3.805 -0.000 -2.137) 4.364 21.202 ( -1.090 0.000 -2.144) 2.405 21.462 ( -5.834 -0.000 -1.193) 5.954 21.522 ( -1.595 0.000 0.294) 1.622 ======================= Grid point 307 (108/144) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 0.000 0.000 -1.006) 1.006 2.872 ( 0.000 0.000 2.613) 2.613 3.339 ( -0.000 0.000 7.048) 7.048 3.454 ( 0.000 0.000 12.217) 12.217 4.026 ( 0.000 0.000 -10.713) 10.713 4.150 ( 0.000 0.000 -4.562) 4.562 4.161 ( 0.000 -0.000 -2.427) 2.427 4.175 ( -0.000 0.000 -2.548) 2.548 5.040 ( 0.000 0.000 0.339) 0.339 5.364 ( 0.000 0.000 9.407) 9.407 5.582 ( 0.000 0.000 -0.801) 0.801 5.980 ( 0.000 0.000 5.252) 5.252 6.096 ( 0.000 0.000 1.625) 1.625 6.320 ( 0.000 0.000 -5.118) 5.118 6.761 ( 0.000 0.000 5.486) 5.486 6.792 ( 0.000 0.000 -6.716) 6.716 6.803 ( -0.000 -0.000 -4.525) 4.525 6.911 ( 0.000 -0.000 3.499) 3.499 7.217 ( 0.000 0.000 -7.059) 7.059 7.536 ( 0.000 0.000 -4.323) 4.323 7.552 ( 0.000 0.000 -0.980) 0.980 7.946 ( -0.000 0.000 1.250) 1.250 8.030 ( 0.000 -0.000 9.417) 9.417 8.066 ( 0.000 0.000 0.402) 0.402 8.414 ( 0.000 0.000 -2.612) 2.612 9.034 ( 0.000 0.000 5.031) 5.031 9.423 ( 0.000 0.000 -1.486) 1.486 9.454 ( 0.000 0.000 -11.361) 11.361 9.713 ( 0.000 0.000 1.041) 1.041 10.250 ( 0.000 0.000 -3.312) 3.312 10.659 ( 0.000 0.000 9.680) 9.680 11.058 ( 0.000 0.000 9.271) 9.271 12.677 ( 0.000 0.000 -1.628) 1.628 12.711 ( -0.000 0.000 -5.237) 5.237 12.737 ( 0.000 0.000 0.077) 0.077 12.789 ( 0.000 0.000 -0.507) 0.507 13.288 ( 0.000 0.000 -2.977) 2.977 13.848 ( 0.000 0.000 3.104) 3.104 13.958 ( 0.000 0.000 -6.152) 6.152 14.356 ( -0.000 0.000 -2.892) 2.892 14.520 ( 0.000 0.000 1.356) 1.356 14.873 ( 0.000 0.000 5.884) 5.884 14.909 ( 0.000 -0.000 -0.685) 0.685 15.259 ( 0.000 0.000 6.882) 6.882 16.510 ( 0.000 0.000 -1.489) 1.489 16.580 ( 0.000 0.000 -1.748) 1.748 16.961 ( 0.000 0.000 -3.355) 3.355 17.178 ( 0.000 0.000 0.432) 0.432 18.298 ( 0.000 0.000 -4.875) 4.875 18.449 ( 0.000 0.000 -2.183) 2.183 18.751 ( 0.000 0.000 2.425) 2.425 19.044 ( 0.000 0.000 6.294) 6.294 19.703 ( 0.000 0.000 0.284) 0.284 19.764 ( -0.000 0.000 -0.952) 0.952 19.782 ( 0.000 0.000 1.632) 1.632 20.060 ( 0.000 0.000 3.605) 3.605 21.190 ( 0.000 0.000 -2.146) 2.146 21.210 ( 0.000 0.000 -1.777) 1.777 21.388 ( 0.000 0.000 -1.758) 1.758 21.506 ( 0.000 0.000 0.171) 0.171 ======================= Grid point 363 (109/144) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 0.000 -7.557) 7.557 1.875 ( 0.000 0.000 7.557) 7.557 2.081 ( 0.000 0.000 -4.945) 4.945 2.081 ( 0.000 0.000 4.945) 4.945 3.426 ( 0.000 0.000 -49.093) 49.093 3.426 ( 0.000 0.000 49.093) 49.093 4.340 ( 0.000 0.000 -10.597) 10.597 4.340 ( 0.000 0.000 10.597) 10.597 4.722 ( 0.000 0.000 -15.903) 15.903 4.722 ( 0.000 0.000 15.903) 15.903 5.437 ( 0.000 0.000 -7.852) 7.852 5.437 ( 0.000 0.000 7.852) 7.852 6.292 ( 0.000 0.000 -14.077) 14.077 6.292 ( 0.000 0.000 14.077) 14.077 6.690 ( 0.000 0.000 -15.330) 15.330 6.690 ( 0.000 0.000 15.330) 15.330 7.169 ( 0.000 0.000 -0.425) 0.425 7.169 ( 0.000 0.000 0.425) 0.425 7.773 ( 0.000 0.000 -16.316) 16.316 7.773 ( 0.000 0.000 16.316) 16.316 8.325 ( 0.000 0.000 -15.339) 15.339 8.325 ( 0.000 0.000 15.339) 15.339 8.655 ( 0.000 0.000 -8.192) 8.192 8.655 ( 0.000 0.000 8.192) 8.192 9.044 ( 0.000 0.000 -2.196) 2.196 9.044 ( 0.000 0.000 2.196) 2.196 9.893 ( 0.000 0.000 -8.148) 8.148 9.893 ( 0.000 0.000 8.148) 8.148 10.296 ( 0.000 0.000 -4.928) 4.928 10.296 ( 0.000 0.000 4.928) 4.928 11.164 ( 0.000 0.000 -4.065) 4.065 11.164 ( 0.000 0.000 4.065) 4.065 11.480 ( 0.000 0.000 -3.229) 3.229 11.480 ( 0.000 0.000 3.229) 3.229 13.042 ( 0.000 0.000 -2.395) 2.395 13.042 ( 0.000 0.000 2.395) 2.395 13.168 ( 0.000 0.000 -6.133) 6.133 13.168 ( 0.000 0.000 6.133) 6.133 14.359 ( 0.000 0.000 -1.119) 1.119 14.359 ( 0.000 0.000 1.119) 1.119 15.052 ( 0.000 0.000 -0.380) 0.380 15.052 ( 0.000 0.000 0.380) 0.380 15.122 ( 0.000 0.000 -12.247) 12.247 15.122 ( 0.000 0.000 12.247) 12.247 16.842 ( 0.000 0.000 -2.811) 2.811 16.842 ( 0.000 0.000 2.811) 2.811 17.734 ( 0.000 0.000 -1.565) 1.565 17.734 ( 0.000 0.000 1.565) 1.565 17.915 ( 0.000 0.000 -0.730) 0.730 17.915 ( 0.000 0.000 0.730) 0.730 18.588 ( 0.000 0.000 -10.436) 10.436 18.588 ( 0.000 0.000 10.436) 10.436 19.388 ( 0.000 0.000 -3.457) 3.457 19.388 ( 0.000 0.000 3.457) 3.457 20.405 ( 0.000 0.000 -2.895) 2.895 20.405 ( 0.000 0.000 2.895) 2.895 20.478 ( 0.000 0.000 -1.096) 1.096 20.478 ( 0.000 0.000 1.096) 1.096 22.480 ( 0.000 0.000 -3.096) 3.096 22.480 ( 0.000 0.000 3.096) 3.096 ======================= Grid point 365 (110/144) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 0.835 0.000 -0.457) 0.952 1.889 ( 0.835 0.000 0.457) 0.952 2.103 ( 2.787 0.000 -1.431) 3.133 2.103 ( 2.787 0.000 1.431) 3.133 3.458 ( 3.744 0.000 -39.066) 39.245 3.458 ( 3.744 0.000 39.066) 39.245 4.450 ( 8.407 0.000 -8.784) 12.159 4.450 ( 8.407 0.000 8.784) 12.159 4.745 ( 2.320 0.000 -14.624) 14.807 4.745 ( 2.320 0.000 14.624) 14.807 5.466 ( 3.498 0.000 -5.289) 6.342 5.466 ( 3.498 0.000 5.289) 6.342 6.271 ( -2.115 0.000 -11.516) 11.709 6.271 ( -2.115 0.000 11.516) 11.709 6.710 ( 0.915 0.000 -14.509) 14.537 6.710 ( 0.915 0.000 14.509) 14.537 7.124 ( -2.291 0.000 -0.557) 2.358 7.124 ( -2.291 0.000 0.557) 2.358 7.852 ( 6.460 0.000 -12.710) 14.257 7.852 ( 6.460 0.000 12.710) 14.257 8.256 ( -6.201 0.000 -10.143) 11.889 8.256 ( -6.201 0.000 10.143) 11.889 8.669 ( 0.998 0.000 -3.321) 3.467 8.669 ( 0.998 0.000 3.321) 3.467 9.033 ( -0.881 0.000 -1.189) 1.480 9.033 ( -0.881 0.000 1.189) 1.480 9.852 ( -3.889 0.000 -5.025) 6.354 9.852 ( -3.889 0.000 5.025) 6.354 10.259 ( -2.907 0.000 -2.305) 3.710 10.259 ( -2.907 0.000 2.305) 3.710 11.262 ( -0.194 0.000 -0.678) 0.705 11.262 ( -0.194 0.000 0.678) 0.705 11.365 ( -0.815 0.000 -0.479) 0.945 11.365 ( -0.815 0.000 0.479) 0.945 13.021 ( -1.170 0.000 -3.678) 3.860 13.021 ( -1.170 0.000 3.678) 3.860 13.219 ( 3.526 0.000 -6.794) 7.655 13.219 ( 3.526 0.000 6.794) 7.655 14.383 ( 1.989 0.000 -0.692) 2.106 14.383 ( 1.989 0.000 0.692) 2.106 14.883 ( -11.962 0.000 -5.439) 13.141 14.883 ( -11.962 0.000 5.439) 13.141 15.128 ( -3.202 0.000 -2.357) 3.976 15.128 ( -3.202 0.000 2.357) 3.976 16.792 ( -4.396 0.000 -1.722) 4.721 16.792 ( -4.396 0.000 1.722) 4.721 17.525 ( -12.013 0.000 -4.683) 12.893 17.525 ( -12.013 0.000 4.683) 12.893 18.098 ( 8.947 0.000 -0.157) 8.948 18.098 ( 8.947 0.000 0.157) 8.948 18.570 ( -0.131 0.000 -3.195) 3.197 18.570 ( -0.131 0.000 3.195) 3.197 19.452 ( 4.688 0.000 -2.496) 5.311 19.452 ( 4.688 0.000 2.496) 5.311 20.468 ( 1.437 0.000 -0.006) 1.437 20.468 ( 1.437 0.000 0.006) 1.437 20.517 ( 7.978 0.000 -2.732) 8.433 20.517 ( 7.978 0.000 2.732) 8.433 22.402 ( -7.113 0.000 -1.418) 7.253 22.402 ( -7.113 0.000 1.418) 7.253 ======================= Grid point 367 (111/144) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 0.902 0.000 -5.407) 5.482 1.903 ( 0.902 0.000 5.407) 5.482 2.206 ( 6.927 0.000 -0.200) 6.930 2.206 ( 6.927 0.000 0.200) 6.930 3.583 ( 8.014 0.000 -23.650) 24.970 3.583 ( 8.014 0.000 23.650) 24.970 4.583 ( 3.771 0.000 -6.986) 7.939 4.583 ( 3.771 0.000 6.986) 7.939 4.800 ( 2.188 0.000 -11.916) 12.115 4.800 ( 2.188 0.000 11.916) 12.115 5.612 ( 11.205 0.000 -0.009) 11.205 5.612 ( 11.205 0.000 0.009) 11.205 6.194 ( -5.834 0.000 -5.495) 8.014 6.194 ( -5.834 0.000 5.495) 8.014 6.702 ( -0.862 0.000 -8.282) 8.327 6.702 ( -0.862 0.000 8.282) 8.327 7.139 ( 3.336 0.000 -0.623) 3.394 7.139 ( 3.336 0.000 0.623) 3.394 7.958 ( 0.532 0.000 -1.321) 1.424 7.958 ( 0.532 0.000 1.321) 1.424 8.130 ( -2.933 0.000 -1.781) 3.431 8.130 ( -2.933 0.000 1.781) 3.431 8.685 ( 0.628 0.000 -0.204) 0.660 8.685 ( 0.628 0.000 0.204) 0.660 9.018 ( -0.362 0.000 -0.014) 0.362 9.018 ( -0.362 0.000 0.014) 0.362 9.751 ( -5.508 0.000 -0.707) 5.553 9.751 ( -5.508 0.000 0.707) 5.553 10.201 ( -2.797 0.000 -0.316) 2.814 10.201 ( -2.797 0.000 0.316) 2.814 11.000 ( -14.661 0.000 -6.621) 16.086 11.000 ( -14.661 0.000 6.621) 16.086 11.641 ( 18.038 0.000 -5.774) 18.939 11.641 ( 18.038 0.000 5.774) 18.939 13.005 ( -0.418 0.000 -6.246) 6.259 13.005 ( -0.418 0.000 6.246) 6.259 13.270 ( 1.006 0.000 -7.611) 7.677 13.270 ( 1.006 0.000 7.611) 7.677 14.396 ( -3.266 0.000 -1.924) 3.791 14.396 ( -3.266 0.000 1.924) 3.791 14.645 ( -9.249 0.000 -4.493) 10.283 14.645 ( -9.249 0.000 4.493) 10.283 14.994 ( -8.585 0.000 -0.165) 8.587 14.994 ( -8.585 0.000 0.165) 8.587 16.694 ( -4.672 0.000 -1.435) 4.887 16.694 ( -4.672 0.000 1.435) 4.887 17.306 ( -9.889 0.000 -7.381) 12.339 17.306 ( -9.889 0.000 7.381) 12.339 18.194 ( 1.014 0.000 -4.302) 4.420 18.194 ( 1.014 0.000 4.302) 4.420 18.641 ( 7.145 0.000 -3.257) 7.853 18.641 ( 7.145 0.000 3.257) 7.853 19.525 ( 2.053 0.000 -0.457) 2.103 19.525 ( 2.053 0.000 0.457) 2.103 20.471 ( -0.423 0.000 -1.053) 1.134 20.471 ( -0.423 0.000 1.053) 1.134 20.743 ( 12.179 0.000 -6.331) 13.726 20.743 ( 12.179 0.000 6.331) 13.726 22.226 ( -9.440 0.000 -0.055) 9.440 22.226 ( -9.440 0.000 0.055) 9.440 ======================= Grid point 369 (112/144) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 2.513 0.000 -3.948) 4.680 1.938 ( 2.513 0.000 3.948) 4.680 2.358 ( 7.415 0.000 -0.019) 7.415 2.358 ( 7.415 0.000 0.019) 7.415 3.751 ( 7.674 0.000 -12.045) 14.282 3.751 ( 7.674 0.000 12.045) 14.282 4.613 ( -0.150 0.000 -0.048) 0.158 4.613 ( -0.150 0.000 0.048) 0.158 4.829 ( 1.311 0.000 -11.777) 11.850 4.829 ( 1.311 0.000 11.777) 11.850 5.888 ( 14.237 0.000 -4.617) 14.967 5.888 ( 14.237 0.000 4.617) 14.967 6.041 ( -8.231 0.000 -1.871) 8.441 6.041 ( -8.231 0.000 1.871) 8.441 6.710 ( 1.743 0.000 -0.093) 1.746 6.710 ( 1.743 0.000 0.093) 1.746 7.198 ( 1.080 0.000 -0.613) 1.242 7.198 ( 1.080 0.000 0.613) 1.242 7.843 ( -7.638 0.000 -6.443) 9.993 7.843 ( -7.638 0.000 6.443) 9.993 8.173 ( 3.420 0.000 -10.671) 11.206 8.173 ( 3.420 0.000 10.671) 11.206 8.702 ( 1.291 0.000 -4.984) 5.149 8.702 ( 1.291 0.000 4.984) 5.149 9.025 ( 1.092 0.000 -3.414) 3.584 9.025 ( 1.092 0.000 3.414) 3.584 9.647 ( -4.482 0.000 -0.031) 4.482 9.647 ( -4.482 0.000 0.031) 4.482 10.133 ( -4.117 0.000 -3.828) 5.622 10.133 ( -4.117 0.000 3.828) 5.622 10.768 ( -7.478 0.000 -3.939) 8.452 10.768 ( -7.478 0.000 3.939) 8.452 12.025 ( 19.166 0.000 -5.682) 19.990 12.025 ( 19.166 0.000 5.682) 19.990 12.999 ( -0.336 0.000 -6.839) 6.848 12.999 ( -0.336 0.000 6.839) 6.848 13.257 ( -2.142 0.000 -5.135) 5.564 13.257 ( -2.142 0.000 5.135) 5.564 14.193 ( -14.208 0.000 -2.934) 14.508 14.193 ( -14.208 0.000 2.934) 14.508 14.534 ( -4.680 0.000 -0.234) 4.685 14.534 ( -4.680 0.000 0.234) 4.685 14.862 ( -2.781 0.000 -0.381) 2.807 14.862 ( -2.781 0.000 0.381) 2.807 16.611 ( -3.498 0.000 -1.887) 3.975 16.611 ( -3.498 0.000 1.887) 3.975 17.120 ( -8.240 0.000 -6.614) 10.567 17.120 ( -8.240 0.000 6.614) 10.567 18.184 ( -1.255 0.000 -4.071) 4.260 18.184 ( -1.255 0.000 4.071) 4.260 18.823 ( 10.038 0.000 -5.227) 11.317 18.823 ( 10.038 0.000 5.227) 11.317 19.532 ( -1.318 0.000 -1.155) 1.752 19.532 ( -1.318 0.000 1.155) 1.752 20.454 ( -1.145 0.000 -1.552) 1.929 20.454 ( -1.145 0.000 1.552) 1.929 20.966 ( 9.201 0.000 -6.075) 11.026 20.966 ( 9.201 0.000 6.075) 11.026 22.049 ( -7.493 0.000 -0.005) 7.493 22.049 ( -7.493 0.000 0.005) 7.493 ======================= Grid point 371 (113/144) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 2.223 0.000 -0.973) 2.427 1.991 ( 2.223 0.000 0.973) 2.427 2.486 ( 4.790 0.000 -0.404) 4.807 2.486 ( 4.790 0.000 0.404) 4.807 3.863 ( 3.058 0.000 -2.957) 4.254 3.863 ( 3.058 0.000 2.957) 4.254 4.615 ( 0.960 0.000 -4.748) 4.845 4.615 ( 0.960 0.000 4.748) 4.845 4.859 ( 1.395 0.000 -9.169) 9.274 4.859 ( 1.395 0.000 9.169) 9.274 5.856 ( -7.309 0.000 -0.363) 7.318 5.856 ( -7.309 0.000 0.363) 7.318 6.175 ( 11.037 0.000 -2.399) 11.294 6.175 ( 11.037 0.000 2.399) 11.294 6.765 ( 3.498 0.000 -1.547) 3.825 6.765 ( 3.498 0.000 1.547) 3.825 7.155 ( -5.004 0.000 -1.170) 5.139 7.155 ( -5.004 0.000 1.170) 5.139 7.727 ( -3.394 0.000 -0.605) 3.448 7.727 ( -3.394 0.000 0.605) 3.448 8.216 ( 0.896 0.000 -3.646) 3.754 8.216 ( 0.896 0.000 3.646) 3.754 8.735 ( 1.616 0.000 -3.789) 4.119 8.735 ( 1.616 0.000 3.789) 4.119 9.055 ( 1.503 0.000 -3.074) 3.422 9.055 ( 1.503 0.000 3.074) 3.422 9.577 ( -2.373 0.000 -0.226) 2.384 9.577 ( -2.373 0.000 0.226) 2.384 10.045 ( -3.877 0.000 -3.188) 5.020 10.045 ( -3.877 0.000 3.188) 5.020 10.690 ( -1.161 0.000 -1.389) 1.810 10.690 ( -1.161 0.000 1.389) 1.810 12.389 ( 15.549 0.000 -4.246) 16.119 12.389 ( 15.549 0.000 4.246) 16.119 12.991 ( -0.349 0.000 -2.418) 2.443 12.991 ( -0.349 0.000 2.418) 2.443 13.193 ( -3.855 0.000 -0.008) 3.855 13.193 ( -3.855 0.000 0.008) 3.855 13.906 ( -12.447 0.000 -0.527) 12.458 13.906 ( -12.447 0.000 0.527) 12.458 14.431 ( -4.314 0.000 -0.002) 4.314 14.431 ( -4.314 0.000 0.002) 4.314 14.864 ( 1.518 0.000 -0.001) 1.518 14.864 ( 1.518 0.000 0.001) 1.518 16.553 ( -2.143 0.000 -1.422) 2.572 16.553 ( -2.143 0.000 1.422) 2.572 16.984 ( -4.795 0.000 -3.907) 6.185 16.984 ( -4.795 0.000 3.907) 6.185 18.159 ( -0.990 0.000 -1.766) 2.025 18.159 ( -0.990 0.000 1.766) 2.025 19.023 ( 8.958 0.000 -4.025) 9.821 19.023 ( 8.958 0.000 4.025) 9.821 19.476 ( -3.898 0.000 -2.288) 4.520 19.476 ( -3.898 0.000 2.288) 4.520 20.430 ( -1.014 0.000 -1.111) 1.504 20.430 ( -1.014 0.000 1.111) 1.504 21.106 ( 4.579 0.000 -3.365) 5.682 21.106 ( 4.579 0.000 3.365) 5.682 21.933 ( -3.815 0.000 -0.003) 3.815 21.933 ( -3.815 0.000 0.003) 3.815 ======================= Grid point 373 (114/144) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 0.000 0.000) 0.000 2.015 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 -0.000) 0.000 4.634 ( 0.000 0.000 -0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 5.774 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 6.820 ( 0.000 0.000 0.000) 0.000 7.073 ( 0.000 0.000 -0.000) 0.000 7.073 ( 0.000 0.000 -0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.573 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 12.990 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 13.764 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 14.884 ( 0.000 0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.530 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 16.935 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 18.149 ( 0.000 0.000 0.000) 0.000 19.134 ( 0.000 0.000 0.000) 0.000 19.134 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 19.417 ( 0.000 0.000 0.000) 0.000 20.419 ( 0.000 0.000 0.000) 0.000 20.419 ( 0.000 0.000 0.000) 0.000 21.153 ( 0.000 0.000 0.000) 0.000 21.153 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 21.895 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 385 (115/144) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 0.000 7.640 -11.136) 13.505 1.989 ( 0.000 7.640 11.136) 13.505 2.193 ( 0.000 12.749 -13.636) 18.668 2.193 ( 0.000 12.749 13.636) 18.668 3.462 ( 0.000 5.134 -40.066) 40.394 3.462 ( 0.000 5.134 40.066) 40.394 4.397 ( 0.000 5.232 -11.544) 12.675 4.397 ( 0.000 5.232 11.544) 12.675 4.724 ( 0.000 0.052 -16.008) 16.008 4.724 ( 0.000 0.052 16.008) 16.008 5.447 ( 0.000 1.002 -7.427) 7.494 5.447 ( 0.000 1.002 7.427) 7.494 6.175 ( 0.000 -8.981 -12.555) 15.436 6.175 ( 0.000 -8.981 12.555) 15.436 6.771 ( 0.000 4.196 -16.448) 16.975 6.771 ( 0.000 4.196 16.448) 16.975 7.173 ( 0.000 2.020 -1.444) 2.483 7.173 ( 0.000 2.020 1.444) 2.483 7.661 ( 0.000 -12.958 -15.093) 19.892 7.661 ( 0.000 -12.958 15.093) 19.892 8.191 ( 0.000 -8.498 -7.635) 11.424 8.191 ( 0.000 -8.498 7.635) 11.424 8.714 ( 0.000 3.237 -13.388) 13.774 8.714 ( 0.000 3.237 13.388) 13.774 9.001 ( 0.000 -3.675 -0.829) 3.767 9.001 ( 0.000 -3.675 0.829) 3.767 9.969 ( 0.000 5.855 -5.942) 8.342 9.969 ( 0.000 5.855 5.942) 8.342 10.311 ( 0.000 1.962 -4.116) 4.560 10.311 ( 0.000 1.962 4.116) 4.560 11.094 ( 0.000 -7.833 -4.858) 9.217 11.094 ( 0.000 -7.833 4.858) 9.217 11.470 ( 0.000 0.013 -3.377) 3.377 11.470 ( 0.000 0.013 3.377) 3.377 13.017 ( 0.000 -1.953 -4.029) 4.477 13.017 ( 0.000 -1.953 4.029) 4.477 13.246 ( 0.000 7.064 -1.322) 7.187 13.246 ( 0.000 7.064 1.322) 7.187 14.273 ( 0.000 -7.488 -2.555) 7.912 14.273 ( 0.000 -7.488 2.555) 7.912 14.987 ( 0.000 -3.075 -8.258) 8.812 14.987 ( 0.000 -3.075 8.258) 8.812 15.246 ( 0.000 7.458 -1.682) 7.645 15.246 ( 0.000 7.458 1.682) 7.645 16.773 ( 0.000 -5.476 -2.192) 5.898 16.773 ( 0.000 -5.476 2.192) 5.898 17.756 ( 0.000 1.507 -0.031) 1.508 17.756 ( 0.000 1.507 0.031) 1.508 18.018 ( 0.000 9.781 -1.764) 9.939 18.018 ( 0.000 9.781 1.764) 9.939 18.591 ( 0.000 0.110 -9.456) 9.457 18.591 ( 0.000 0.110 9.456) 9.457 19.380 ( 0.000 -0.689 -2.838) 2.920 19.380 ( 0.000 -0.689 2.838) 2.920 20.324 ( 0.000 -4.568 -0.022) 4.569 20.324 ( 0.000 -4.568 0.022) 4.569 20.585 ( 0.000 7.214 -3.546) 8.039 20.585 ( 0.000 7.214 3.546) 8.039 22.418 ( 0.000 -6.117 -1.755) 6.364 22.418 ( 0.000 -6.117 1.755) 6.364 ======================= Grid point 387 (116/144) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -3.108 6.574 0.000) 7.271 2.023 ( 1.855 4.964 0.000) 5.299 2.190 ( 3.725 16.046 0.000) 16.473 2.317 ( 7.214 16.155 -0.000) 17.693 3.423 ( 2.225 2.062 0.000) 3.034 3.564 ( 3.839 7.178 0.000) 8.140 4.404 ( 4.505 -1.338 0.000) 4.699 4.556 ( 8.943 7.016 -0.000) 11.366 4.704 ( -0.107 -2.057 -0.000) 2.060 4.780 ( 4.021 1.657 0.000) 4.349 5.422 ( 0.604 -2.087 0.000) 2.173 5.519 ( 4.824 2.764 -0.000) 5.560 6.152 ( -1.204 -7.192 -0.000) 7.292 6.198 ( 0.731 -9.207 0.000) 9.236 6.690 ( -1.815 -0.095 0.000) 1.817 6.866 ( 1.128 9.804 0.000) 9.868 7.027 ( -8.590 -3.824 0.000) 9.402 7.198 ( 2.062 2.148 0.000) 2.977 7.703 ( 4.790 -12.913 -0.000) 13.773 7.794 ( 8.732 -11.485 0.000) 14.428 8.051 ( -7.185 -6.222 0.000) 9.505 8.297 ( 3.944 -5.362 0.000) 6.656 8.574 ( -7.502 0.438 -0.000) 7.515 8.787 ( 1.191 1.582 0.000) 1.980 8.942 ( -0.915 -4.839 0.000) 4.925 9.071 ( 2.469 0.961 0.000) 2.649 9.823 ( -9.034 2.716 0.000) 9.433 9.994 ( -2.240 6.381 0.000) 6.763 10.214 ( -5.112 -0.856 0.000) 5.183 10.355 ( 0.639 6.308 0.000) 6.340 11.051 ( -6.736 -13.956 0.000) 15.497 11.191 ( 5.864 -8.947 0.000) 10.698 11.368 ( -5.451 3.117 0.000) 6.279 11.525 ( 7.663 7.694 0.000) 10.859 12.958 ( -3.026 -3.031 -0.000) 4.283 13.058 ( 1.546 -0.867 0.000) 1.772 13.200 ( 0.067 3.129 0.000) 3.130 13.344 ( 4.033 8.836 0.000) 9.713 14.260 ( 0.779 -8.635 0.000) 8.670 14.336 ( 3.451 -6.442 0.000) 7.308 14.787 ( -12.113 -0.175 -0.000) 12.114 14.989 ( -7.156 -4.694 0.000) 8.558 15.125 ( -5.452 8.620 0.000) 10.199 15.269 ( -2.926 8.155 0.000) 8.664 16.689 ( -4.480 -5.431 0.000) 7.040 16.802 ( -0.618 -2.340 0.000) 2.420 17.541 ( -10.195 2.275 0.000) 10.446 17.642 ( -16.820 9.989 0.000) 19.563 18.034 ( 11.518 -2.352 0.000) 11.756 18.197 ( 3.950 5.763 0.000) 6.987 18.482 ( -3.235 -2.393 0.000) 4.024 18.705 ( 4.305 6.839 0.000) 8.081 19.428 ( 5.863 -1.801 0.000) 6.134 19.461 ( 4.265 0.343 0.000) 4.279 20.278 ( 0.632 -9.746 0.000) 9.767 20.438 ( 4.547 -2.655 0.000) 5.266 20.607 ( 3.410 5.572 0.000) 6.533 20.663 ( 7.063 8.573 0.000) 11.108 22.296 ( -8.739 -7.590 0.000) 11.576 22.397 ( -4.499 -3.561 0.000) 5.738 ======================= Grid point 389 (117/144) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -0.079 5.575 0.000) 5.575 2.099 ( 5.311 8.660 0.000) 10.159 2.294 ( 5.869 15.511 0.000) 16.584 2.468 ( 7.388 20.574 -0.000) 21.861 3.544 ( 8.552 -0.325 -0.000) 8.558 3.629 ( 3.375 2.418 0.000) 4.152 4.479 ( 1.285 -6.028 0.000) 6.164 4.690 ( 3.342 1.713 0.000) 3.756 4.722 ( 2.017 2.529 -0.000) 3.235 4.882 ( 4.861 3.113 0.000) 5.773 5.506 ( 8.476 -6.143 0.000) 10.468 5.670 ( 10.485 1.488 0.000) 10.590 6.110 ( -3.464 -4.649 0.000) 5.798 6.182 ( -2.903 -5.222 0.000) 5.974 6.695 ( 1.922 -0.449 0.000) 1.974 6.759 ( -7.543 2.447 -0.000) 7.930 6.952 ( 0.160 -4.350 0.000) 4.353 7.295 ( 6.032 2.655 0.000) 6.590 7.779 ( -0.367 -16.387 0.000) 16.391 7.855 ( -3.709 -7.260 -0.000) 8.152 8.028 ( 7.502 -1.741 0.000) 7.702 8.298 ( -5.369 5.430 -0.000) 7.636 8.484 ( 0.682 -10.054 0.000) 10.077 8.783 ( -0.250 -1.859 0.000) 1.876 8.961 ( 1.881 -2.046 0.000) 2.779 9.091 ( -0.487 5.505 0.000) 5.526 9.634 ( -8.705 -2.448 0.000) 9.043 9.901 ( -6.163 5.388 0.000) 8.186 10.114 ( -4.869 -3.147 0.000) 5.797 10.345 ( -1.796 8.230 0.000) 8.424 10.829 ( -11.739 -10.558 0.000) 15.789 11.072 ( -11.566 1.072 0.000) 11.615 11.547 ( 17.724 -3.218 0.000) 18.014 11.793 ( 16.447 8.508 0.000) 18.518 12.899 ( -2.927 -4.932 -0.000) 5.735 13.086 ( 1.388 -0.533 0.000) 1.487 13.211 ( -0.045 0.959 0.000) 0.960 13.394 ( 1.284 9.087 0.000) 9.177 14.284 ( 0.425 -7.301 0.000) 7.314 14.370 ( -1.933 -7.749 0.000) 7.986 14.528 ( -12.726 3.449 0.000) 13.185 14.807 ( -7.444 -2.150 0.000) 7.748 14.988 ( -8.359 8.407 0.000) 11.856 15.148 ( -7.979 9.868 0.000) 12.690 16.600 ( -4.327 -4.565 0.000) 6.290 16.760 ( -2.876 1.831 0.000) 3.410 17.316 ( -12.359 1.789 -0.000) 12.488 17.362 ( -10.137 5.130 0.000) 11.361 18.197 ( 0.590 1.184 -0.000) 1.323 18.231 ( 2.783 2.302 0.000) 3.612 18.502 ( 6.187 -5.499 0.000) 8.277 18.800 ( 5.845 7.706 0.000) 9.672 19.514 ( 0.898 -0.487 0.000) 1.022 19.540 ( 3.809 0.887 0.000) 3.911 20.318 ( 2.188 -11.399 0.000) 11.607 20.485 ( 0.432 -0.783 0.000) 0.894 20.730 ( 8.440 2.017 0.000) 8.678 20.851 ( 10.088 5.874 0.000) 11.673 22.099 ( -9.785 -7.906 0.000) 12.580 22.261 ( -8.185 -1.277 0.000) 8.284 ======================= Grid point 391 (118/144) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 4.786 7.692 0.000) 9.060 2.206 ( 4.407 15.278 0.000) 15.901 2.416 ( 5.937 10.746 -0.000) 12.277 2.607 ( 6.117 21.872 0.000) 22.711 3.684 ( 4.335 -4.552 -0.000) 6.286 3.753 ( 8.556 -1.300 0.000) 8.654 4.466 ( -1.399 -8.214 0.000) 8.332 4.688 ( -3.041 -3.115 0.000) 4.354 4.783 ( 3.664 7.022 -0.000) 7.921 4.948 ( 2.143 4.698 0.000) 5.164 5.753 ( 14.159 -9.268 0.000) 16.923 5.920 ( 12.642 -0.995 0.000) 12.681 6.002 ( -6.595 -0.786 0.000) 6.642 6.079 ( -6.291 0.162 0.000) 6.293 6.656 ( -1.518 -3.839 0.000) 4.128 6.775 ( 4.816 2.920 0.000) 5.632 6.967 ( 0.111 -7.434 0.000) 7.434 7.395 ( 3.284 3.003 0.000) 4.449 7.633 ( -9.452 -9.206 0.000) 13.194 7.850 ( -0.185 -7.375 0.000) 7.377 8.160 ( -3.885 4.747 0.000) 6.134 8.182 ( 4.053 -5.076 -0.000) 6.496 8.529 ( 2.018 -10.037 0.000) 10.237 8.805 ( 2.231 -1.053 -0.000) 2.466 8.999 ( 1.853 -3.633 0.000) 4.078 9.056 ( -2.698 7.238 0.000) 7.724 9.502 ( -3.848 -6.055 0.000) 7.175 9.771 ( -6.190 4.028 0.000) 7.385 10.002 ( -6.348 -6.435 0.000) 9.039 10.274 ( -5.007 6.272 0.000) 8.025 10.664 ( -3.829 -4.036 0.000) 5.563 10.875 ( -7.045 4.939 0.000) 8.603 11.956 ( 21.824 -3.116 0.000) 22.045 12.133 ( 16.295 6.732 -0.000) 17.631 12.835 ( -3.245 -6.881 0.000) 7.607 13.103 ( -0.931 -5.914 0.000) 5.987 13.189 ( -1.157 5.578 0.000) 5.697 13.410 ( 0.299 10.429 0.000) 10.434 14.153 ( -14.029 -1.536 0.000) 14.113 14.251 ( -11.242 0.131 -0.000) 11.243 14.330 ( -3.345 -3.858 0.000) 5.106 14.738 ( -3.003 -5.440 0.000) 6.214 14.836 ( -3.384 14.874 0.000) 15.254 15.001 ( -5.172 8.268 0.000) 9.752 16.514 ( -3.934 -4.843 0.000) 6.240 16.702 ( -2.859 4.235 0.000) 5.110 17.083 ( -9.947 -1.263 -0.000) 10.027 17.184 ( -7.700 4.238 0.000) 8.790 18.166 ( -1.900 0.412 -0.000) 1.944 18.256 ( -0.246 4.677 0.000) 4.684 18.695 ( 11.232 -6.354 0.000) 12.904 18.948 ( 8.440 6.027 0.000) 10.371 19.497 ( -2.366 -1.709 0.000) 2.918 19.575 ( -0.341 2.629 0.000) 2.651 20.347 ( 0.783 -8.611 0.000) 8.647 20.469 ( -1.739 -0.603 0.000) 1.841 20.912 ( 8.473 -1.528 0.000) 8.609 21.033 ( 7.481 2.946 0.000) 8.040 21.928 ( -6.604 -7.367 0.000) 9.893 22.092 ( -7.926 -0.486 0.000) 7.941 ======================= Grid point 393 (119/144) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( 6.274 12.028 0.000) 13.566 2.255 ( 0.231 17.539 0.000) 17.541 2.520 ( 3.823 7.180 -0.000) 8.135 2.709 ( 3.804 20.659 0.000) 21.007 3.754 ( 2.477 -7.364 0.000) 7.770 3.890 ( 4.233 -0.767 0.000) 4.302 4.462 ( 1.139 -9.629 -0.000) 9.696 4.606 ( -3.878 -4.893 -0.000) 6.243 4.861 ( 3.578 4.953 0.000) 6.111 4.983 ( 1.244 6.286 -0.000) 6.408 5.840 ( -5.464 -0.348 0.000) 5.475 5.907 ( -5.219 2.803 0.000) 5.924 6.079 ( 10.001 -6.590 0.000) 11.978 6.169 ( 10.108 -3.371 0.000) 10.655 6.666 ( 1.697 -5.087 0.000) 5.363 6.877 ( 3.235 5.693 -0.000) 6.548 6.929 ( -2.047 -9.116 0.000) 9.343 7.390 ( -6.044 10.668 0.000) 12.261 7.493 ( -1.240 -12.135 0.000) 12.198 7.830 ( -1.337 -3.782 0.000) 4.011 8.080 ( -2.333 -0.996 -0.000) 2.537 8.267 ( 2.685 -5.766 0.000) 6.361 8.548 ( 0.033 -7.752 0.000) 7.752 8.850 ( 1.824 -6.378 0.000) 6.634 8.998 ( -2.502 5.998 0.000) 6.499 9.038 ( 1.656 -5.085 0.000) 5.348 9.482 ( 1.629 -3.900 0.000) 4.226 9.656 ( -5.259 2.055 0.000) 5.647 9.878 ( -4.931 -8.997 0.000) 10.259 10.172 ( -4.263 4.916 0.000) 6.507 10.654 ( 1.824 0.148 0.000) 1.830 10.782 ( -2.834 5.569 0.000) 6.249 12.397 ( 19.964 0.546 0.000) 19.972 12.429 ( 12.316 3.731 -0.000) 12.868 12.786 ( -0.388 -8.818 0.000) 8.827 13.016 ( -6.532 -7.254 0.000) 9.761 13.195 ( 0.916 6.099 0.000) 6.168 13.383 ( -4.654 12.225 0.000) 13.081 13.844 ( -13.104 -1.008 0.000) 13.142 14.027 ( -8.936 5.798 0.000) 10.652 14.288 ( -1.458 -2.864 0.000) 3.214 14.613 ( -6.160 4.693 0.000) 7.744 14.873 ( 3.376 6.587 0.000) 7.402 14.948 ( -0.803 5.381 0.000) 5.440 16.451 ( -2.012 -5.419 0.000) 5.780 16.632 ( -3.942 3.037 0.000) 4.976 16.944 ( -3.243 -1.019 0.000) 3.400 17.049 ( -5.456 3.782 0.000) 6.638 18.135 ( -1.073 0.208 -0.000) 1.093 18.243 ( -0.681 5.518 0.000) 5.560 18.923 ( 10.661 -5.127 0.000) 11.829 19.113 ( 6.582 3.967 0.000) 7.685 19.430 ( -3.339 -2.089 -0.000) 3.939 19.530 ( -3.920 3.280 0.000) 5.112 20.359 ( 0.689 -5.965 -0.000) 6.005 20.424 ( -2.375 -1.844 0.000) 3.007 21.048 ( 4.679 -2.734 0.000) 5.419 21.147 ( 3.662 1.139 0.000) 3.835 21.840 ( -2.076 -5.995 0.000) 6.344 21.954 ( -5.386 -1.277 0.000) 5.535 ======================= Grid point 395 (120/144) ======================= q-point: (-0.50 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( -0.000 17.270 0.000) 17.270 2.238 ( 0.000 14.180 0.000) 14.180 2.559 ( 0.000 6.177 0.000) 6.177 2.750 ( 0.000 19.785 0.000) 19.785 3.780 ( 0.000 -6.971 0.000) 6.971 3.928 ( 0.000 0.056 0.000) 0.056 4.483 ( -0.000 -10.678 -0.000) 10.678 4.564 ( 0.000 -7.574 0.000) 7.574 4.903 ( -0.000 4.013 0.000) 4.013 4.995 ( 0.000 7.557 0.000) 7.557 5.778 ( 0.000 1.247 0.000) 1.247 5.838 ( 0.000 5.161 0.000) 5.161 6.191 ( 0.000 -7.115 0.000) 7.115 6.298 ( -0.000 -4.884 0.000) 4.884 6.692 ( 0.000 -7.045 0.000) 7.045 6.835 ( 0.000 -1.942 0.000) 1.942 6.977 ( 0.000 -0.288 0.000) 0.288 7.287 ( 0.000 10.582 0.000) 10.582 7.499 ( 0.000 -8.713 0.000) 8.713 7.813 ( 0.000 -1.593 0.000) 1.593 8.058 ( 0.000 -3.486 -0.000) 3.486 8.293 ( 0.000 -5.890 0.000) 5.890 8.545 ( 0.000 -7.517 -0.000) 7.517 8.872 ( 0.000 -13.132 0.000) 13.132 8.967 ( 0.000 8.404 0.000) 8.404 9.056 ( 0.000 -5.523 0.000) 5.523 9.537 ( 0.000 0.730 0.000) 0.730 9.568 ( -0.000 -1.833 0.000) 1.833 9.826 ( 0.000 -9.490 0.000) 9.490 10.125 ( 0.000 4.646 0.000) 4.646 10.690 ( 0.000 1.543 0.000) 1.543 10.744 ( 0.000 5.066 0.000) 5.066 12.567 ( -0.000 1.422 0.000) 1.422 12.628 ( 0.000 3.352 0.000) 3.352 12.868 ( 0.000 -9.547 0.000) 9.547 12.898 ( -0.000 -5.965 0.000) 5.965 13.216 ( -0.000 4.359 0.000) 4.359 13.238 ( 0.000 9.559 0.000) 9.559 13.723 ( 0.000 1.529 0.000) 1.529 13.927 ( 0.000 8.251 0.000) 8.251 14.273 ( 0.000 -0.428 0.000) 0.428 14.545 ( 0.000 4.879 0.000) 4.879 14.914 ( 0.000 6.305 0.000) 6.305 14.941 ( 0.000 4.053 0.000) 4.053 16.433 ( 0.000 -5.513 0.000) 5.513 16.581 ( 0.000 0.771 0.000) 0.771 16.927 ( 0.000 1.669 0.000) 1.669 16.982 ( 0.000 2.525 0.000) 2.525 18.124 ( 0.000 0.244 0.000) 0.244 18.235 ( 0.000 5.758 0.000) 5.758 19.076 ( 0.000 -2.809 0.000) 2.809 19.153 ( 0.000 -1.481 0.000) 1.481 19.435 ( -3.767 1.610 0.000) 4.097 19.435 ( 3.767 2.586 0.000) 4.569 20.382 ( 0.000 -3.774 0.000) 3.774 20.383 ( -0.000 -3.740 0.000) 3.740 21.096 ( 0.000 -2.917 0.000) 2.917 21.183 ( 0.000 0.534 0.000) 0.534 21.827 ( 0.000 -4.739 0.000) 4.739 21.892 ( 0.000 -2.380 0.000) 2.380 ======================= Grid point 407 (121/144) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 4.981 -17.454) 18.151 2.105 ( 0.000 4.981 17.454) 18.151 2.476 ( 0.000 13.170 -23.784) 27.187 2.476 ( 0.000 13.170 23.784) 27.187 3.677 ( 0.000 17.445 -19.144) 25.900 3.677 ( 0.000 17.445 19.144) 25.900 4.503 ( 0.000 4.626 -11.935) 12.801 4.503 ( 0.000 4.626 11.935) 12.801 4.725 ( 0.000 0.582 -14.759) 14.771 4.725 ( 0.000 0.582 14.759) 14.771 5.464 ( 0.000 0.139 -4.182) 4.184 5.464 ( 0.000 0.139 4.182) 4.184 6.029 ( 0.000 -5.049 -9.128) 10.431 6.029 ( 0.000 -5.049 9.128) 10.431 6.765 ( 0.000 -4.032 -9.995) 10.778 6.765 ( 0.000 -4.032 9.995) 10.778 7.262 ( 0.000 -2.095 -6.289) 6.628 7.262 ( 0.000 -2.095 6.289) 6.628 7.335 ( 0.000 -9.678 -0.022) 9.678 7.335 ( 0.000 -9.678 0.022) 9.678 8.077 ( 0.000 -4.449 -5.666) 7.204 8.077 ( 0.000 -4.449 5.666) 7.204 8.726 ( 0.000 -2.487 -11.536) 11.801 8.726 ( 0.000 -2.487 11.536) 11.801 8.943 ( 0.000 -1.431 -2.321) 2.727 8.943 ( 0.000 -1.431 2.321) 2.727 10.030 ( 0.000 -0.693 -0.734) 1.009 10.030 ( 0.000 -0.693 0.734) 1.009 10.391 ( 0.000 6.160 -3.732) 7.202 10.391 ( 0.000 6.160 3.732) 7.202 10.882 ( 0.000 -12.755 -5.479) 13.882 10.882 ( 0.000 -12.755 5.479) 13.882 11.491 ( 0.000 1.672 -2.363) 2.894 11.491 ( 0.000 1.672 2.363) 2.894 12.967 ( 0.000 -3.374 -3.248) 4.683 12.967 ( 0.000 -3.374 3.248) 4.683 13.414 ( 0.000 10.072 -1.018) 10.123 13.414 ( 0.000 10.072 1.018) 10.123 14.128 ( 0.000 -6.820 -5.569) 8.805 14.128 ( 0.000 -6.820 5.569) 8.805 14.944 ( 0.000 -1.508 -9.199) 9.322 14.944 ( 0.000 -1.508 9.199) 9.322 15.332 ( 0.000 0.745 -2.918) 3.011 15.332 ( 0.000 0.745 2.918) 3.011 16.695 ( 0.000 -1.866 -0.727) 2.003 16.695 ( 0.000 -1.866 0.727) 2.003 17.792 ( 0.000 2.632 -0.000) 2.632 17.792 ( 0.000 2.632 0.000) 2.632 18.229 ( 0.000 10.948 -3.460) 11.482 18.229 ( 0.000 10.948 3.460) 11.482 18.581 ( 0.000 -1.375 -7.019) 7.153 18.581 ( 0.000 -1.375 7.019) 7.153 19.366 ( 0.000 -0.608 -1.422) 1.546 19.366 ( 0.000 -0.608 1.422) 1.546 20.254 ( 0.000 -2.834 -1.500) 3.206 20.254 ( 0.000 -2.834 1.500) 3.206 20.722 ( 0.000 6.993 -5.114) 8.663 20.722 ( 0.000 6.993 5.114) 8.663 22.266 ( 0.000 -9.235 -0.001) 9.235 22.266 ( 0.000 -9.235 0.001) 9.235 ======================= Grid point 409 (122/144) ======================= q-point: ( 0.10 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -2.258 5.180 0.000) 5.651 2.134 ( 2.744 7.709 -0.000) 8.183 2.543 ( 6.800 16.369 0.000) 17.725 2.599 ( 9.362 10.882 -0.000) 14.355 3.587 ( -1.541 15.181 0.000) 15.259 3.783 ( 1.709 16.683 0.000) 16.770 4.367 ( -2.929 -3.430 0.000) 4.510 4.686 ( 0.460 2.066 0.000) 2.117 4.713 ( 9.081 7.657 -0.000) 11.878 4.809 ( 4.941 1.181 0.000) 5.080 5.390 ( -2.204 -1.099 0.000) 2.463 5.553 ( 4.204 -0.138 0.000) 4.207 6.008 ( -0.359 -8.199 -0.000) 8.206 6.036 ( -0.347 -4.877 0.000) 4.889 6.654 ( -1.995 -2.889 0.000) 3.511 6.906 ( -0.627 -7.450 0.000) 7.476 7.033 ( -5.583 1.160 0.000) 5.702 7.211 ( -3.829 -2.285 0.000) 4.459 7.440 ( 5.009 -8.168 0.000) 9.581 7.536 ( 11.535 -10.693 0.000) 15.729 7.975 ( -3.513 -3.990 0.000) 5.316 8.199 ( 5.687 -3.902 0.000) 6.897 8.598 ( -7.699 -0.308 -0.000) 7.706 8.717 ( -6.030 -5.499 0.000) 8.160 8.873 ( 2.465 -3.587 0.000) 4.353 9.095 ( 6.453 1.676 0.000) 6.667 9.887 ( -10.298 1.871 0.000) 10.466 10.030 ( -3.104 -3.056 0.000) 4.355 10.246 ( -7.495 4.677 0.000) 8.835 10.489 ( 2.681 6.958 0.000) 7.457 10.771 ( -6.863 -14.173 0.000) 15.747 11.002 ( 6.890 -10.216 0.000) 12.322 11.413 ( -2.618 1.654 0.000) 3.096 11.649 ( 11.628 5.209 0.000) 12.742 12.896 ( -4.049 -3.568 0.000) 5.397 13.005 ( 0.988 -4.110 0.000) 4.228 13.308 ( -2.937 7.400 0.000) 7.962 13.556 ( 5.727 12.743 0.000) 13.971 14.099 ( 0.443 -7.457 0.000) 7.470 14.200 ( 3.579 -6.730 0.000) 7.623 14.820 ( -8.577 2.771 -0.000) 9.014 14.903 ( -6.446 -3.641 0.000) 7.403 15.208 ( -5.634 0.224 0.000) 5.638 15.403 ( 0.286 3.774 0.000) 3.785 16.615 ( -3.944 -2.081 0.000) 4.459 16.759 ( 2.184 -0.875 0.000) 2.353 17.595 ( -10.018 3.453 0.000) 10.597 17.860 ( -20.259 11.602 0.000) 23.346 18.011 ( 11.205 0.085 0.000) 11.205 18.303 ( -1.240 4.762 0.000) 4.920 18.472 ( -2.780 0.876 0.000) 2.914 18.804 ( 8.188 3.081 0.000) 8.749 19.383 ( 6.531 -2.807 0.000) 7.109 19.468 ( 4.326 0.406 0.000) 4.345 20.117 ( -4.539 -6.711 0.000) 8.102 20.401 ( 5.633 -1.373 0.000) 5.798 20.717 ( 1.757 5.873 0.000) 6.131 20.810 ( 6.115 6.916 0.000) 9.232 22.134 ( -8.673 -8.780 0.000) 12.342 22.278 ( -2.505 -8.420 0.000) 8.785 ======================= Grid point 411 (123/144) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 2.102 9.519 0.000) 9.748 2.248 ( 8.213 8.130 -0.000) 11.556 2.679 ( 5.973 19.833 0.000) 20.713 2.824 ( 11.710 12.143 -0.000) 16.870 3.619 ( 4.359 8.464 -0.000) 9.521 3.733 ( -5.075 11.195 0.000) 12.291 4.348 ( -0.746 -6.960 0.000) 7.000 4.693 ( -0.070 2.127 0.000) 2.128 4.870 ( 5.884 8.240 -0.000) 10.126 4.926 ( 5.581 2.379 0.000) 6.067 5.399 ( 3.800 -4.609 0.000) 5.974 5.660 ( 7.365 -3.023 0.000) 7.961 6.024 ( 1.491 -8.793 -0.000) 8.918 6.027 ( -0.486 -4.474 0.000) 4.500 6.628 ( -4.423 -6.073 0.000) 7.513 6.777 ( -1.729 0.667 0.000) 1.853 6.990 ( -3.386 3.944 0.000) 5.198 7.227 ( 3.568 -8.240 0.000) 8.979 7.490 ( 0.073 -10.810 0.000) 10.810 7.734 ( 7.028 -6.634 0.000) 9.665 7.955 ( 1.486 -4.997 0.000) 5.213 8.293 ( 3.128 -4.556 0.000) 5.526 8.418 ( -9.229 2.706 -0.000) 9.617 8.632 ( -1.174 -11.688 0.000) 11.747 8.929 ( 2.159 -2.114 0.000) 3.022 9.199 ( 3.681 4.327 0.000) 5.680 9.634 ( -13.674 0.622 0.000) 13.688 9.931 ( -6.124 -2.564 0.000) 6.639 10.085 ( -8.630 0.983 0.000) 8.686 10.468 ( -5.286 2.462 0.000) 5.832 10.654 ( -2.676 -5.229 0.000) 5.873 11.053 ( -3.563 -2.657 0.000) 4.445 11.506 ( 13.885 -1.289 0.000) 13.944 11.946 ( 16.437 7.142 0.000) 17.921 12.813 ( -3.982 -4.069 0.000) 5.693 13.007 ( -0.817 -5.781 0.000) 5.838 13.281 ( -0.394 5.006 0.000) 5.021 13.633 ( 2.307 15.020 0.000) 15.196 14.136 ( 2.397 -7.309 0.000) 7.692 14.238 ( -1.050 -6.023 0.000) 6.114 14.623 ( -10.259 5.620 -0.000) 11.698 14.745 ( -7.383 -2.108 0.000) 7.678 15.099 ( -4.869 2.441 0.000) 5.447 15.339 ( -6.088 7.418 0.000) 9.597 16.533 ( -4.352 -2.235 0.000) 4.892 16.781 ( 0.178 1.209 0.000) 1.222 17.357 ( -13.840 2.504 0.000) 14.065 17.505 ( -13.662 9.221 0.000) 16.482 18.227 ( 4.920 1.419 -0.000) 5.121 18.259 ( 1.583 0.435 0.000) 1.641 18.448 ( 1.446 -0.217 0.000) 1.462 18.922 ( 5.259 4.896 0.000) 7.185 19.506 ( 0.092 -0.262 0.000) 0.278 19.552 ( 6.818 -0.080 0.000) 6.819 20.087 ( 1.305 -11.443 0.000) 11.517 20.467 ( 0.913 -0.911 0.000) 1.290 20.790 ( 5.212 3.866 0.000) 6.489 20.951 ( 7.111 4.673 0.000) 8.509 21.944 ( -9.315 -7.886 0.000) 12.204 22.180 ( -6.642 -6.873 0.000) 9.558 ======================= Grid point 413 (124/144) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( 6.972 11.853 0.000) 13.752 2.431 ( 8.647 9.680 0.000) 12.979 2.776 ( 3.384 22.725 0.000) 22.975 3.045 ( 9.691 16.946 0.000) 19.521 3.635 ( -3.476 1.985 -0.000) 4.003 3.737 ( 6.293 1.885 0.000) 6.569 4.313 ( -2.207 -6.756 0.000) 7.107 4.652 ( -4.663 -0.153 0.000) 4.665 4.950 ( 1.357 9.214 0.000) 9.314 5.009 ( 4.430 2.460 0.000) 5.067 5.566 ( 11.683 -9.396 0.000) 14.992 5.845 ( 9.253 -7.184 0.000) 11.715 6.006 ( -1.966 0.976 0.000) 2.195 6.038 ( -0.170 -3.665 0.000) 3.669 6.527 ( -2.112 -8.343 0.000) 8.606 6.832 ( 3.032 3.866 0.000) 4.914 6.938 ( -0.605 1.277 0.000) 1.413 7.274 ( 0.888 -9.855 0.000) 9.895 7.486 ( 0.550 -9.104 0.000) 9.120 7.789 ( -1.622 1.126 0.000) 1.975 8.004 ( 2.275 -12.301 0.000) 12.510 8.252 ( -6.441 3.707 -0.000) 7.431 8.322 ( -0.030 -9.772 0.000) 9.772 8.669 ( 3.849 -12.679 0.000) 13.251 8.948 ( -0.573 -0.731 0.000) 0.929 9.206 ( -5.159 5.048 0.000) 7.218 9.417 ( -4.186 -3.075 0.000) 5.194 9.798 ( -6.602 -1.710 0.000) 6.820 9.891 ( -10.128 -3.667 0.000) 10.771 10.339 ( -6.128 0.517 0.000) 6.149 10.646 ( 1.094 2.203 0.000) 2.460 10.954 ( -4.314 3.321 0.000) 5.444 11.897 ( 22.765 -2.991 0.000) 22.961 12.270 ( 14.671 7.090 0.000) 16.295 12.738 ( -3.325 -3.532 0.000) 4.850 12.969 ( -3.035 -6.965 0.000) 7.597 13.276 ( -0.258 3.573 0.000) 3.583 13.670 ( 1.351 15.631 0.000) 15.690 14.102 ( -10.244 -4.062 0.000) 11.020 14.188 ( 0.210 -2.409 0.000) 2.418 14.401 ( -10.997 6.553 0.000) 12.801 14.659 ( -1.318 -2.170 0.000) 2.539 15.034 ( -1.277 5.926 0.000) 6.062 15.194 ( -6.944 9.689 0.000) 11.921 16.438 ( -4.681 -2.600 0.000) 5.355 16.771 ( -1.656 3.023 0.000) 3.447 17.072 ( -12.385 0.172 0.000) 12.386 17.286 ( -8.823 6.317 0.000) 10.851 18.187 ( -2.231 1.399 -0.000) 2.634 18.342 ( 1.199 3.698 0.000) 3.887 18.589 ( 11.160 -4.497 0.000) 12.032 19.049 ( 7.117 4.501 0.000) 8.421 19.467 ( -3.431 -1.414 0.000) 3.711 19.634 ( 1.122 3.354 0.000) 3.537 20.141 ( 3.341 -11.992 0.000) 12.449 20.446 ( -2.737 -1.618 0.000) 3.179 20.910 ( 6.017 1.171 0.000) 6.130 21.077 ( 5.109 1.851 0.000) 5.434 21.785 ( -5.812 -7.173 0.000) 9.232 22.030 ( -7.672 -5.822 0.000) 9.631 ======================= Grid point 415 (125/144) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 8.976 11.993 0.000) 14.980 2.547 ( 1.754 11.530 0.000) 11.663 2.815 ( 0.756 23.741 0.000) 23.753 3.200 ( 5.201 24.576 0.000) 25.121 3.614 ( 1.428 -4.657 0.000) 4.871 3.848 ( 4.159 -2.759 0.000) 4.991 4.280 ( -0.783 -8.295 -0.000) 8.332 4.511 ( -7.901 -4.534 -0.000) 9.109 4.971 ( 1.254 5.960 0.000) 6.090 5.103 ( 3.951 6.745 0.000) 7.817 5.767 ( 4.612 -8.391 0.000) 9.575 5.955 ( 2.359 -7.174 0.000) 7.552 5.973 ( 0.318 4.544 0.000) 4.555 6.079 ( 4.343 -3.549 0.000) 5.608 6.554 ( 3.790 -6.652 0.000) 7.656 6.817 ( -4.033 -3.842 0.000) 5.570 6.976 ( 3.000 4.710 0.000) 5.584 7.305 ( 2.742 -6.622 0.000) 7.167 7.508 ( 0.780 -1.296 0.000) 1.512 7.710 ( -4.490 -2.058 0.000) 4.939 8.029 ( 0.710 -12.245 0.000) 12.266 8.146 ( -4.438 -0.281 -0.000) 4.447 8.319 ( -0.117 -15.104 0.000) 15.105 8.728 ( 0.403 -8.843 0.000) 8.852 8.893 ( -3.564 -6.130 0.000) 7.091 9.093 ( -2.720 0.754 0.000) 2.823 9.435 ( 3.322 -1.080 0.000) 3.493 9.671 ( -6.244 0.198 0.000) 6.247 9.712 ( -6.204 -7.711 0.000) 9.897 10.232 ( -4.183 1.582 0.000) 4.472 10.689 ( 2.740 2.920 0.000) 4.004 10.893 ( -2.047 5.887 0.000) 6.233 12.378 ( 23.113 -2.435 0.000) 23.241 12.521 ( 9.591 5.289 -0.000) 10.952 12.688 ( -1.160 -1.636 0.000) 2.005 12.885 ( -5.065 -6.029 0.000) 7.874 13.271 ( -0.113 2.389 0.000) 2.392 13.643 ( -7.542 13.830 0.000) 15.753 13.849 ( -9.531 1.164 0.000) 9.602 14.113 ( -6.552 4.450 0.000) 7.921 14.317 ( 2.638 3.819 0.000) 4.642 14.622 ( -3.441 -0.859 0.000) 3.546 15.034 ( 0.581 6.707 0.000) 6.732 15.104 ( -1.424 10.467 0.000) 10.563 16.360 ( -2.604 -3.462 0.000) 4.332 16.666 ( -7.818 0.756 0.000) 7.854 16.946 ( 0.084 0.881 0.000) 0.885 17.129 ( -6.815 4.463 0.000) 8.146 18.156 ( -0.908 1.650 0.000) 1.883 18.349 ( -0.032 4.879 0.000) 4.880 18.831 ( 12.028 -4.349 0.000) 12.790 19.165 ( 1.599 1.315 0.000) 2.070 19.404 ( -0.594 -0.427 0.000) 0.732 19.608 ( -3.380 4.884 0.000) 5.939 20.209 ( 3.358 -9.305 0.000) 9.892 20.370 ( -4.351 -3.635 0.000) 5.669 21.014 ( 3.809 -0.719 0.000) 3.876 21.154 ( 2.450 -0.086 0.000) 2.452 21.718 ( -0.853 -6.443 0.000) 6.499 21.884 ( -6.267 -5.822 0.000) 8.553 ======================= Grid point 417 (126/144) ======================= q-point: (-0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.000 8.879 0.000) 8.879 2.513 ( 0.000 15.625 0.000) 15.625 2.821 ( 0.000 22.754 0.000) 22.754 3.252 ( -0.000 28.120 0.000) 28.120 3.645 ( 0.000 -5.673 0.000) 5.673 3.894 ( 0.000 -3.286 0.000) 3.286 4.275 ( -0.000 -10.001 -0.000) 10.001 4.412 ( 0.000 -7.766 0.000) 7.766 4.988 ( -0.000 5.022 0.000) 5.022 5.146 ( 0.000 8.258 0.000) 8.258 5.782 ( 0.000 -2.323 0.000) 2.323 5.949 ( 0.000 3.894 0.000) 3.894 6.037 ( 0.000 -6.667 0.000) 6.667 6.129 ( -0.000 -9.122 0.000) 9.122 6.627 ( 0.000 -0.597 0.000) 0.597 6.735 ( 0.000 -8.518 0.000) 8.518 7.016 ( 0.000 3.415 0.000) 3.415 7.345 ( 0.000 -2.749 0.000) 2.749 7.509 ( -0.000 7.937 0.000) 7.937 7.662 ( 0.000 -9.955 0.000) 9.955 8.063 ( 0.000 -14.691 0.000) 14.691 8.067 ( 0.000 0.120 -0.000) 0.120 8.318 ( 0.000 -17.235 0.000) 17.235 8.706 ( 0.000 -5.083 0.000) 5.083 8.866 ( 0.000 -13.278 0.000) 13.278 9.074 ( 0.000 2.366 0.000) 2.366 9.498 ( 0.000 -4.149 0.000) 4.149 9.572 ( -0.000 2.848 0.000) 2.848 9.654 ( 0.000 -8.417 0.000) 8.417 10.186 ( 0.000 1.969 0.000) 1.969 10.726 ( 0.000 1.845 0.000) 1.845 10.868 ( 0.000 7.425 0.000) 7.425 12.615 ( -0.000 3.043 0.000) 3.043 12.679 ( -0.000 -0.158 0.000) 0.158 12.721 ( 0.000 -2.932 0.000) 2.932 12.793 ( -0.000 -4.786 0.000) 4.786 13.276 ( 0.000 1.631 0.000) 1.631 13.450 ( 0.000 11.734 0.000) 11.734 13.790 ( 0.000 4.928 0.000) 4.928 14.038 ( 0.000 4.943 0.000) 4.943 14.372 ( -0.000 7.938 0.000) 7.938 14.560 ( 0.000 -1.531 0.000) 1.531 15.040 ( 0.000 6.354 0.000) 6.354 15.102 ( 0.000 10.693 0.000) 10.693 16.336 ( -0.000 -3.911 0.000) 3.911 16.568 ( 0.000 -1.512 0.000) 1.512 16.995 ( 0.000 4.867 0.000) 4.867 17.020 ( -0.000 1.176 0.000) 1.176 18.147 ( -0.000 1.905 0.000) 1.905 18.348 ( 0.000 5.313 0.000) 5.313 19.039 ( 0.000 -0.828 0.000) 0.828 19.079 ( -0.000 -5.747 0.000) 5.747 19.455 ( 0.000 1.274 0.000) 1.274 19.534 ( 0.000 6.585 0.000) 6.585 20.279 ( 0.000 -7.028 0.000) 7.028 20.287 ( -0.000 -5.662 0.000) 5.662 21.054 ( 0.000 -1.291 0.000) 1.291 21.178 ( 0.000 -0.720 0.000) 0.720 21.726 ( 0.000 -5.576 0.000) 5.576 21.804 ( 0.000 -6.557 0.000) 6.557 ======================= Grid point 429 (127/144) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 3.556 -12.106) 12.618 2.186 ( 0.000 3.556 12.106) 12.618 2.662 ( 0.000 6.954 -19.378) 20.588 2.662 ( 0.000 6.954 19.378) 20.588 4.041 ( 0.000 16.690 -4.219) 17.215 4.041 ( 0.000 16.690 4.219) 17.215 4.544 ( 0.000 0.326 -10.600) 10.605 4.544 ( 0.000 0.326 10.600) 10.605 4.771 ( 0.000 3.804 -9.264) 10.015 4.771 ( 0.000 3.804 9.264) 10.015 5.445 ( 0.000 -1.010 -2.297) 2.509 5.445 ( 0.000 -1.010 2.297) 2.509 6.007 ( 0.000 2.452 -3.584) 4.342 6.007 ( 0.000 2.452 3.584) 4.342 6.674 ( 0.000 -4.274 -0.184) 4.278 6.674 ( 0.000 -4.274 0.184) 4.278 6.960 ( 0.000 -14.568 -3.724) 15.037 6.960 ( 0.000 -14.568 3.724) 15.037 7.459 ( 0.000 7.724 -0.011) 7.724 7.459 ( 0.000 7.724 0.011) 7.724 7.990 ( 0.000 -4.835 -3.517) 5.979 7.990 ( 0.000 -4.835 3.517) 5.979 8.632 ( 0.000 -6.272 -4.146) 7.518 8.632 ( 0.000 -6.272 4.146) 7.518 8.950 ( 0.000 1.754 -7.471) 7.674 8.950 ( 0.000 1.754 7.471) 7.674 9.945 ( 0.000 -7.668 -3.149) 8.290 9.945 ( 0.000 -7.668 3.149) 8.290 10.505 ( 0.000 4.174 -3.975) 5.764 10.505 ( 0.000 4.174 3.975) 5.764 10.671 ( 0.000 -7.513 -3.549) 8.309 10.671 ( 0.000 -7.513 3.549) 8.309 11.516 ( 0.000 0.730 -1.282) 1.475 11.516 ( 0.000 0.730 1.282) 1.475 12.891 ( 0.000 -4.246 -1.536) 4.515 12.891 ( 0.000 -4.246 1.536) 4.515 13.606 ( 0.000 9.208 -1.339) 9.305 13.606 ( 0.000 9.208 1.339) 9.305 14.031 ( 0.000 -3.001 -6.773) 7.408 14.031 ( 0.000 -3.001 6.773) 7.408 14.930 ( 0.000 0.153 -8.531) 8.533 14.930 ( 0.000 0.153 8.531) 8.533 15.280 ( 0.000 -5.415 -6.056) 8.124 15.280 ( 0.000 -5.415 6.056) 8.124 16.696 ( 0.000 1.388 -0.142) 1.395 16.696 ( 0.000 1.388 0.142) 1.395 17.865 ( 0.000 4.932 -0.068) 4.933 17.865 ( 0.000 4.932 0.068) 4.933 18.408 ( 0.000 7.280 -2.030) 7.557 18.408 ( 0.000 7.280 2.030) 7.557 18.534 ( 0.000 -3.231 -3.078) 4.462 18.534 ( 0.000 -3.231 3.078) 4.462 19.358 ( 0.000 -0.234 -0.364) 0.432 19.358 ( 0.000 -0.234 0.364) 0.432 20.210 ( 0.000 -1.833 -2.980) 3.499 20.210 ( 0.000 -1.833 2.980) 3.499 20.853 ( 0.000 6.703 -5.462) 8.647 20.853 ( 0.000 6.703 5.462) 8.647 22.083 ( 0.000 -9.444 -0.886) 9.485 22.083 ( 0.000 -9.444 0.886) 9.485 ======================= Grid point 431 (128/144) ======================= q-point: ( 0.10 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.875 3.973 0.000) 4.068 2.282 ( 4.819 6.750 0.000) 8.293 2.724 ( 7.831 4.702 0.000) 9.134 2.766 ( 7.140 6.353 -0.000) 9.558 3.933 ( -4.566 17.621 0.000) 18.203 4.143 ( 0.816 17.527 0.000) 17.546 4.275 ( -8.592 -5.154 0.000) 10.019 4.745 ( 0.108 3.628 -0.000) 3.629 4.817 ( 8.756 0.167 0.000) 8.757 4.858 ( 8.619 5.626 0.000) 10.293 5.392 ( -2.722 2.033 -0.000) 3.397 5.491 ( 2.050 -5.028 0.000) 5.430 5.929 ( -3.874 -0.138 0.000) 3.877 6.004 ( -1.842 2.484 0.000) 3.093 6.599 ( -2.532 -3.065 0.000) 3.976 6.742 ( -0.175 -6.922 0.000) 6.925 6.899 ( 2.453 -10.932 0.000) 11.204 7.070 ( 2.864 -10.233 0.000) 10.626 7.461 ( 0.445 5.911 0.000) 5.928 7.495 ( 3.020 3.673 0.000) 4.755 7.884 ( -3.069 -5.232 0.000) 6.066 8.120 ( 5.689 -5.054 0.000) 7.609 8.486 ( -6.989 -8.671 0.000) 11.137 8.710 ( -7.528 2.970 0.000) 8.093 8.787 ( 2.262 -4.747 0.000) 5.258 9.124 ( 7.015 0.972 0.000) 7.082 9.822 ( -9.129 -9.184 0.000) 12.949 9.947 ( -2.365 -3.987 0.000) 4.636 10.363 ( -8.818 6.398 0.000) 10.894 10.539 ( -6.291 -8.266 0.000) 10.388 10.601 ( 3.539 3.146 0.000) 4.735 10.828 ( 9.176 -7.284 0.000) 11.715 11.434 ( -1.922 0.581 0.000) 2.008 11.723 ( 14.067 2.612 0.000) 14.308 12.825 ( -4.016 -3.614 0.000) 5.402 12.910 ( -0.239 -5.412 0.000) 5.418 13.465 ( -5.019 8.371 0.000) 9.760 13.791 ( 8.524 10.134 0.000) 13.242 13.996 ( -0.322 -2.623 0.000) 2.642 14.098 ( 3.345 -3.391 -0.000) 4.763 14.855 ( -5.989 -1.404 -0.000) 6.151 14.885 ( -5.022 3.973 0.000) 6.403 15.157 ( -4.588 -4.997 0.000) 6.784 15.389 ( 2.839 -4.603 0.000) 5.408 16.602 ( -4.583 0.281 0.000) 4.591 16.778 ( 3.242 2.355 0.000) 4.007 17.678 ( -10.540 5.252 0.000) 11.776 18.027 ( -0.579 3.592 0.000) 3.638 18.068 ( -9.765 7.644 0.000) 12.401 18.364 ( -5.172 1.297 0.000) 5.332 18.499 ( -1.346 1.736 0.000) 2.197 18.817 ( 11.652 -1.506 0.000) 11.749 19.329 ( 4.439 -2.514 0.000) 5.101 19.476 ( 4.379 0.353 0.000) 4.393 20.023 ( -7.711 -3.329 0.000) 8.399 20.379 ( 6.216 -1.034 0.000) 6.302 20.831 ( 0.550 5.947 0.000) 5.973 20.936 ( 5.033 6.458 0.000) 8.187 21.972 ( -7.371 -7.859 0.000) 10.775 22.095 ( -1.899 -10.086 0.000) 10.263 ======================= Grid point 433 (129/144) ======================= q-point: ( 0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 6.236 8.086 0.000) 10.212 2.410 ( 8.465 8.064 0.000) 11.691 2.894 ( 7.533 1.717 0.000) 7.727 2.960 ( 11.949 5.442 -0.000) 13.130 3.839 ( -5.398 11.983 0.000) 13.143 4.004 ( -7.180 11.951 0.000) 13.942 4.269 ( 1.088 0.888 0.000) 1.404 4.752 ( -0.750 2.543 0.000) 2.651 4.932 ( 5.827 1.833 0.000) 6.109 5.060 ( 7.297 7.260 0.000) 10.293 5.351 ( -0.215 0.709 0.000) 0.741 5.543 ( 3.954 -8.208 0.000) 9.110 5.899 ( 1.425 -2.617 0.000) 2.980 5.989 ( 1.306 1.356 0.000) 1.883 6.500 ( -6.602 -5.883 0.000) 8.843 6.798 ( 6.030 1.366 0.000) 6.183 6.948 ( -0.197 -10.199 0.000) 10.201 7.084 ( 0.265 -4.772 0.000) 4.780 7.420 ( -3.269 2.528 0.000) 4.133 7.608 ( 6.399 -5.137 0.000) 8.206 7.859 ( -0.570 -5.157 0.000) 5.189 8.207 ( 2.332 -5.404 0.000) 5.886 8.366 ( -4.043 -12.589 0.000) 13.222 8.506 ( -9.876 4.084 0.000) 10.687 8.878 ( 4.273 -2.876 0.000) 5.151 9.233 ( 3.492 -1.106 0.000) 3.663 9.583 ( -13.761 -6.475 0.000) 15.208 9.864 ( -5.514 -2.601 0.000) 6.097 10.142 ( -12.498 3.959 0.000) 13.110 10.421 ( -5.299 -4.105 0.000) 6.703 10.661 ( 2.749 2.807 0.000) 3.929 10.989 ( 4.135 -3.590 0.000) 5.476 11.493 ( 10.374 -0.043 0.000) 10.374 12.057 ( 17.553 4.314 0.000) 18.076 12.743 ( -3.682 -3.147 0.000) 4.844 12.887 ( -1.818 -6.430 0.000) 6.682 13.393 ( -2.573 6.369 0.000) 6.869 13.919 ( 3.707 12.230 0.000) 12.780 14.023 ( 2.501 -3.740 0.000) 4.499 14.148 ( 1.225 -2.013 0.000) 2.357 14.701 ( -7.640 1.464 -0.000) 7.779 14.775 ( -6.197 6.032 0.000) 8.649 15.092 ( -1.603 -3.110 0.000) 3.499 15.379 ( -3.543 -2.924 0.000) 4.594 16.513 ( -4.195 -0.095 0.000) 4.196 16.823 ( 1.167 3.038 0.000) 3.254 17.416 ( -15.404 3.673 0.000) 15.836 17.691 ( -15.718 9.735 0.000) 18.488 18.232 ( 7.255 -1.153 0.000) 7.346 18.269 ( -1.536 1.183 -0.000) 1.938 18.463 ( -1.090 0.911 0.000) 1.421 18.988 ( 6.754 2.233 0.000) 7.114 19.502 ( 3.171 -0.920 -0.000) 3.301 19.511 ( 6.010 -3.997 0.000) 7.218 19.924 ( -1.981 -4.870 0.000) 5.257 20.450 ( 0.730 -0.897 0.000) 1.157 20.872 ( 3.315 4.598 0.000) 5.669 21.039 ( 4.671 4.779 0.000) 6.683 21.806 ( -8.333 -6.306 0.000) 10.450 22.016 ( -5.591 -9.687 0.000) 11.185 ======================= Grid point 435 (130/144) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 7.221 10.443 0.000) 12.696 2.610 ( 9.718 8.783 0.000) 13.099 3.055 ( 8.934 0.484 0.000) 8.948 3.191 ( 9.781 5.799 0.000) 11.370 3.731 ( -3.600 6.239 0.000) 7.203 3.913 ( -2.793 12.533 0.000) 12.840 4.253 ( -2.470 1.121 0.000) 2.712 4.660 ( -8.767 0.029 0.000) 8.767 5.056 ( 4.660 4.430 0.000) 6.429 5.131 ( 2.799 6.774 0.000) 7.330 5.441 ( 8.479 -1.359 0.000) 8.588 5.660 ( 6.359 -10.586 0.000) 12.349 5.974 ( 5.324 -2.139 0.000) 5.738 6.049 ( 3.469 3.766 0.000) 5.120 6.387 ( -3.101 -5.055 0.000) 5.930 6.861 ( -4.945 -4.798 0.000) 6.890 6.957 ( 6.437 1.970 0.000) 6.732 7.120 ( 3.063 -5.772 0.000) 6.535 7.376 ( -0.188 -0.617 0.000) 0.645 7.707 ( 2.986 -11.718 0.000) 12.092 7.818 ( -3.914 -4.977 0.000) 6.332 8.170 ( -5.010 -7.049 0.000) 8.648 8.320 ( -8.742 3.754 0.000) 9.514 8.374 ( 3.845 -15.923 0.000) 16.381 8.949 ( 2.188 0.398 0.000) 2.224 9.177 ( -11.996 -7.801 0.000) 14.310 9.381 ( -1.638 -1.040 0.000) 1.940 9.733 ( -7.148 -2.975 0.000) 7.742 9.888 ( -11.590 1.805 0.000) 11.730 10.324 ( -4.400 -1.431 0.000) 4.627 10.712 ( 2.107 3.709 0.000) 4.266 11.002 ( -0.675 1.820 0.000) 1.941 11.853 ( 22.857 -1.292 0.000) 22.893 12.388 ( 14.181 4.842 0.000) 14.985 12.688 ( -1.508 -1.840 0.000) 2.379 12.844 ( -2.388 -5.957 0.000) 6.418 13.346 ( -2.226 3.821 0.000) 4.422 13.943 ( -0.981 9.676 0.000) 9.726 14.026 ( -4.874 -3.465 0.000) 5.980 14.184 ( 4.335 4.625 0.000) 6.339 14.538 ( -10.319 6.900 0.000) 12.413 14.661 ( -2.775 2.413 0.000) 3.678 15.102 ( 2.232 1.477 0.000) 2.676 15.279 ( -5.077 -1.523 0.000) 5.300 16.426 ( -4.386 1.176 0.000) 4.541 16.825 ( -1.616 2.765 0.000) 3.202 17.089 ( -14.697 1.540 0.000) 14.777 17.417 ( -11.554 6.956 0.000) 13.486 18.203 ( -1.603 -0.196 0.000) 1.615 18.386 ( 2.759 1.170 0.000) 2.997 18.530 ( 9.197 -1.759 0.000) 9.364 19.123 ( 6.251 3.319 0.000) 7.078 19.444 ( -3.783 -0.886 0.000) 3.885 19.679 ( 5.144 -0.041 0.000) 5.144 19.932 ( 2.634 -8.287 0.000) 8.695 20.413 ( -4.191 -1.712 0.000) 4.527 20.951 ( 4.100 3.031 0.000) 5.099 21.115 ( 2.800 2.334 0.000) 3.646 21.662 ( -5.373 -5.550 0.000) 7.725 21.884 ( -7.033 -8.907 0.000) 11.349 ======================= Grid point 437 (131/144) ======================= q-point: ( 0.40 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.540 8.071 0.000) 10.388 2.737 ( 2.195 8.772 0.000) 9.043 3.242 ( 6.983 12.332 0.000) 14.172 3.349 ( 7.397 0.315 0.000) 7.403 3.738 ( 3.961 7.904 0.000) 8.841 3.868 ( -1.697 8.668 0.000) 8.833 4.181 ( -4.086 -1.344 0.000) 4.301 4.430 ( -12.155 -3.930 0.000) 12.775 5.089 ( 0.649 5.394 0.000) 5.433 5.246 ( 5.782 7.705 0.000) 9.633 5.615 ( 6.983 -3.370 0.000) 7.754 5.760 ( 3.350 -11.343 0.000) 11.828 6.059 ( 1.163 1.597 0.000) 1.975 6.106 ( 2.881 7.816 0.000) 8.330 6.418 ( 5.899 -6.893 0.000) 9.073 6.739 ( -6.387 -4.699 0.000) 7.930 7.054 ( 2.391 2.937 0.000) 3.787 7.222 ( 6.780 -3.888 0.000) 7.816 7.424 ( 4.230 -2.865 0.000) 5.109 7.701 ( -6.111 -8.001 0.000) 10.068 7.753 ( 1.558 -10.358 -0.000) 10.474 8.060 ( -5.125 -11.162 0.000) 12.282 8.140 ( -8.920 0.038 -0.000) 8.920 8.465 ( 4.831 -15.301 0.000) 16.046 8.809 ( -13.766 -5.576 0.000) 14.852 9.068 ( 1.941 -1.285 0.000) 2.328 9.397 ( 1.269 -3.596 0.000) 3.814 9.590 ( -6.087 -4.086 0.000) 7.331 9.704 ( -6.222 2.455 0.000) 6.689 10.244 ( -3.194 -0.019 0.000) 3.194 10.743 ( 0.961 2.306 0.000) 2.498 11.002 ( 0.539 5.317 0.000) 5.345 12.338 ( 22.744 -1.057 0.000) 22.769 12.613 ( 7.742 3.888 0.000) 8.664 12.684 ( 0.946 0.252 0.000) 0.979 12.792 ( -2.724 -3.529 0.000) 4.458 13.304 ( -1.761 1.263 0.000) 2.167 13.832 ( -12.420 3.888 0.000) 13.014 13.911 ( -1.681 5.704 0.000) 5.946 14.231 ( -4.689 8.236 0.000) 9.477 14.398 ( 2.539 5.318 0.000) 5.893 14.622 ( -2.818 0.788 0.000) 2.926 15.150 ( 2.015 5.373 -0.000) 5.738 15.224 ( -0.037 0.563 0.000) 0.564 16.346 ( -3.050 2.331 0.000) 3.839 16.676 ( -10.920 0.585 0.000) 10.936 16.962 ( 1.409 0.472 0.000) 1.486 17.214 ( -8.563 4.136 0.000) 9.509 18.188 ( -0.097 1.515 0.000) 1.518 18.413 ( 0.669 1.670 0.000) 1.799 18.757 ( 11.862 -3.408 0.000) 12.342 19.172 ( -3.681 -0.103 0.000) 3.683 19.421 ( 3.341 2.282 0.000) 4.046 19.706 ( -1.702 4.824 0.000) 5.115 20.021 ( 5.530 -9.861 0.000) 11.306 20.296 ( -6.715 -3.731 0.000) 7.682 21.024 ( 2.750 1.829 0.000) 3.303 21.156 ( 1.308 0.510 0.000) 1.404 21.601 ( -0.599 -5.705 0.000) 5.737 21.745 ( -6.336 -8.277 0.000) 10.424 ======================= Grid point 439 (132/144) ======================= q-point: (-0.50 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 0.000 4.965 0.000) 4.965 2.738 ( -0.000 9.111 0.000) 9.111 3.297 ( 0.000 21.772 0.000) 21.772 3.464 ( 0.000 -3.284 0.000) 3.284 3.817 ( 0.000 18.896 0.000) 18.896 3.839 ( 0.000 -0.751 0.000) 0.751 4.127 ( -0.000 -5.088 -0.000) 5.088 4.274 ( 0.000 -6.411 0.000) 6.411 5.098 ( 0.000 5.096 0.000) 5.096 5.310 ( 0.000 8.623 0.000) 8.623 5.686 ( 0.000 -3.271 0.000) 3.271 5.796 ( -0.000 -11.753 0.000) 11.753 6.062 ( 0.000 1.471 0.000) 1.471 6.137 ( 0.000 9.815 0.000) 9.815 6.542 ( 0.000 -10.395 0.000) 10.395 6.626 ( -0.000 -0.044 0.000) 0.044 7.075 ( 0.000 2.067 0.000) 2.067 7.318 ( 0.000 -0.854 0.000) 0.854 7.488 ( 0.000 -8.749 0.000) 8.749 7.608 ( 0.000 -1.711 0.000) 1.711 7.791 ( 0.000 -10.984 0.000) 10.984 8.002 ( 0.000 -12.830 0.000) 12.830 8.012 ( -0.000 -4.699 -0.000) 4.699 8.578 ( 0.000 -15.533 0.000) 15.533 8.592 ( -0.000 -7.125 0.000) 7.125 9.096 ( 0.000 0.751 0.000) 0.751 9.411 ( 0.000 -5.457 0.000) 5.457 9.524 ( 0.000 -4.640 0.000) 4.640 9.639 ( 0.000 3.688 0.000) 3.688 10.209 ( 0.000 0.610 0.000) 0.610 10.752 ( 0.000 0.807 0.000) 0.807 11.010 ( 0.000 6.926 0.000) 6.926 12.635 ( -0.000 -1.024 0.000) 1.024 12.664 ( 0.000 1.484 -0.000) 1.484 12.724 ( -0.000 -1.901 0.000) 1.901 12.750 ( 0.000 2.111 0.000) 2.111 13.282 ( 0.000 -0.526 0.000) 0.526 13.653 ( 0.000 8.865 0.000) 8.865 13.895 ( 0.000 5.079 0.000) 5.079 14.153 ( 0.000 6.763 0.000) 6.763 14.494 ( -0.000 4.079 0.000) 4.079 14.549 ( 0.000 1.864 0.000) 1.864 15.176 ( 0.000 7.216 0.000) 7.216 15.234 ( -0.000 1.484 0.000) 1.484 16.316 ( -0.000 2.412 0.000) 2.412 16.545 ( 0.000 -0.577 0.000) 0.577 17.019 ( 0.000 -1.321 0.000) 1.321 17.091 ( -0.000 4.633 0.000) 4.633 18.189 ( -0.000 2.262 0.000) 2.262 18.419 ( 0.000 1.957 0.000) 1.957 18.952 ( 0.000 -7.061 0.000) 7.061 19.049 ( 0.000 1.638 0.000) 1.638 19.494 ( 0.000 3.015 0.000) 3.015 19.664 ( 0.000 6.471 0.000) 6.471 20.119 ( 0.000 -9.513 0.000) 9.513 20.184 ( -0.000 -4.658 0.000) 4.658 21.053 ( 0.000 1.352 0.000) 1.352 21.169 ( 0.000 0.026 0.000) 0.026 21.622 ( 0.000 -5.049 0.000) 5.049 21.651 ( 0.000 -9.031 0.000) 9.031 ======================= Grid point 451 (133/144) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 0.000 2.081 -5.735) 6.101 2.241 ( 0.000 2.081 5.735) 6.101 2.761 ( 0.000 3.531 -9.949) 10.557 2.761 ( 0.000 3.531 9.949) 10.557 4.223 ( 0.000 2.986 -1.766) 3.469 4.223 ( 0.000 2.986 1.766) 3.469 4.550 ( 0.000 0.079 -3.995) 3.995 4.550 ( 0.000 0.079 3.995) 3.995 4.828 ( 0.000 1.570 -3.182) 3.548 4.828 ( 0.000 1.570 3.182) 3.548 5.485 ( 0.000 5.081 -3.687) 6.278 5.485 ( 0.000 5.081 3.687) 6.278 6.085 ( 0.000 4.545 -1.834) 4.901 6.085 ( 0.000 4.545 1.834) 4.901 6.627 ( 0.000 -0.641 -5.353) 5.391 6.627 ( 0.000 -0.641 5.353) 5.391 6.745 ( 0.000 -8.018 -1.115) 8.096 6.745 ( 0.000 -8.018 1.115) 8.096 7.569 ( 0.000 3.545 -1.198) 3.742 7.569 ( 0.000 3.545 1.198) 3.742 7.903 ( 0.000 -3.709 -0.384) 3.729 7.903 ( 0.000 -3.709 0.384) 3.729 8.521 ( 0.000 -4.585 -0.621) 4.627 8.521 ( 0.000 -4.585 0.621) 4.627 8.994 ( 0.000 2.431 -5.973) 6.449 8.994 ( 0.000 2.431 5.973) 6.449 9.775 ( 0.000 -8.487 -3.361) 9.128 9.775 ( 0.000 -8.487 3.361) 9.128 10.503 ( 0.000 -2.232 -1.921) 2.945 10.503 ( 0.000 -2.232 1.921) 2.945 10.639 ( 0.000 1.561 -0.607) 1.675 10.639 ( 0.000 1.561 0.607) 1.675 11.520 ( 0.000 -0.138 -0.418) 0.440 11.520 ( 0.000 -0.138 0.418) 0.440 12.820 ( 0.000 -2.802 -0.379) 2.828 12.820 ( 0.000 -2.802 0.379) 2.828 13.738 ( 0.000 4.119 -0.738) 4.184 13.738 ( 0.000 4.119 0.738) 4.184 14.015 ( 0.000 0.954 -4.278) 4.383 14.015 ( 0.000 0.954 4.278) 4.383 14.952 ( 0.000 2.242 -8.141) 8.444 14.952 ( 0.000 2.242 8.141) 8.444 15.155 ( 0.000 -6.848 -7.432) 10.106 15.155 ( 0.000 -6.848 7.432) 10.106 16.726 ( 0.000 1.349 -0.071) 1.351 16.726 ( 0.000 1.349 0.071) 1.351 17.970 ( 0.000 5.485 -0.190) 5.489 17.970 ( 0.000 5.485 0.190) 5.489 18.433 ( 0.000 -4.006 -2.950) 4.975 18.433 ( 0.000 -4.006 2.950) 4.975 18.537 ( 0.000 3.300 -2.981) 4.447 18.537 ( 0.000 3.300 2.981) 4.447 19.356 ( 0.000 -0.014 -0.050) 0.051 19.356 ( 0.000 -0.014 0.050) 0.051 20.181 ( 0.000 -1.196 -2.008) 2.338 20.181 ( 0.000 -1.196 2.008) 2.338 20.972 ( 0.000 5.242 -3.729) 6.433 20.972 ( 0.000 5.242 3.729) 6.433 21.923 ( 0.000 -6.729 -1.133) 6.823 21.923 ( 0.000 -6.729 1.133) 6.823 ======================= Grid point 453 (134/144) ======================= q-point: ( 0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 2.799 2.696 0.000) 3.886 2.376 ( 7.188 3.094 0.000) 7.826 2.800 ( 5.046 3.380 0.000) 6.074 2.838 ( 5.688 1.836 -0.000) 5.977 4.136 ( -8.226 1.346 0.000) 8.335 4.205 ( -2.621 0.703 0.000) 2.714 4.385 ( -2.549 6.514 0.000) 6.995 4.783 ( 2.838 0.691 0.000) 2.920 4.817 ( 7.059 -0.203 0.000) 7.062 4.913 ( 7.310 0.402 0.000) 7.321 5.415 ( -3.618 0.119 -0.000) 3.620 5.508 ( -0.877 6.367 0.000) 6.427 5.965 ( -5.115 3.129 0.000) 5.996 6.144 ( 0.259 11.173 0.000) 11.176 6.540 ( -5.559 -2.787 0.000) 6.218 6.659 ( 3.142 -4.047 0.000) 5.123 6.723 ( 2.365 -5.769 0.000) 6.235 6.885 ( 5.688 -8.128 0.000) 9.920 7.559 ( -0.090 2.552 0.000) 2.554 7.581 ( -0.676 5.001 0.000) 5.047 7.789 ( -3.752 -4.074 0.000) 5.539 8.011 ( 3.863 -5.390 0.000) 6.631 8.338 ( -9.030 -6.055 0.000) 10.872 8.688 ( 7.516 -3.555 0.000) 8.315 8.808 ( -9.566 5.162 -0.000) 10.870 9.125 ( 4.326 -0.934 0.000) 4.425 9.617 ( -8.371 -9.961 0.000) 13.012 9.867 ( 1.700 -3.949 0.000) 4.300 10.426 ( -3.027 -2.210 0.000) 3.748 10.472 ( -10.774 3.262 -0.000) 11.257 10.624 ( 5.375 -0.853 0.000) 5.442 10.743 ( 7.002 -1.651 0.000) 7.194 11.439 ( -1.180 0.060 0.000) 1.181 11.754 ( 15.518 0.746 0.000) 15.536 12.769 ( -3.503 -2.005 0.000) 4.036 12.815 ( -1.484 -4.059 0.000) 4.322 13.603 ( -5.553 5.423 0.000) 7.761 13.878 ( 5.441 0.666 0.000) 5.482 13.984 ( 0.143 -1.093 0.000) 1.102 14.125 ( 7.351 5.995 0.000) 9.486 14.843 ( -6.048 -0.036 0.000) 6.048 14.975 ( -1.875 5.414 0.000) 5.730 15.043 ( -4.066 -5.892 0.000) 7.159 15.263 ( 3.360 -7.606 0.000) 8.315 16.612 ( -5.461 0.577 0.000) 5.492 16.824 ( 3.908 1.939 0.000) 4.363 17.783 ( -11.454 4.915 0.000) 12.464 18.102 ( 3.592 4.711 0.000) 5.924 18.185 ( -10.741 3.888 -0.000) 11.423 18.346 ( -8.194 -2.984 0.000) 8.720 18.533 ( -2.062 1.741 0.000) 2.699 18.769 ( 13.598 -2.808 0.000) 13.885 19.293 ( 1.227 -1.217 0.000) 1.728 19.480 ( 4.243 0.136 0.000) 4.245 19.980 ( -8.116 -1.366 0.000) 8.230 20.360 ( 6.520 -0.892 0.000) 6.581 20.937 ( -0.292 4.692 0.000) 4.701 21.053 ( 4.438 5.347 0.000) 6.949 21.845 ( -5.640 -5.007 0.000) 7.542 21.915 ( -2.433 -8.035 0.000) 8.395 ======================= Grid point 455 (135/144) ======================= q-point: ( 0.20 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 10.559 5.622 0.000) 11.963 2.522 ( 7.810 3.130 0.000) 8.414 2.903 ( 4.109 0.698 0.000) 4.168 3.010 ( 11.169 0.612 0.000) 11.186 3.937 ( -9.346 -0.258 0.000) 9.349 4.160 ( -2.027 4.784 0.000) 5.196 4.360 ( -1.594 4.739 0.000) 5.000 4.768 ( -2.321 0.285 0.000) 2.338 4.983 ( 8.251 2.847 0.000) 8.729 5.106 ( 7.911 -1.562 0.000) 8.064 5.374 ( 0.488 -2.315 -0.000) 2.366 5.467 ( -0.557 2.575 0.000) 2.635 5.920 ( 0.757 3.779 0.000) 3.854 6.132 ( -0.019 13.894 0.000) 13.894 6.447 ( -3.658 0.235 0.000) 3.666 6.735 ( -1.344 -9.517 0.000) 9.611 6.780 ( 7.678 -5.946 0.000) 9.711 6.968 ( 2.902 -5.843 0.000) 6.524 7.515 ( -3.943 4.876 0.000) 6.271 7.568 ( -0.511 1.264 0.000) 1.363 7.757 ( -0.909 -4.773 0.000) 4.859 8.051 ( 0.163 -10.515 0.000) 10.516 8.170 ( -7.061 -6.313 0.000) 9.472 8.621 ( -8.507 7.220 0.000) 11.158 8.830 ( 6.460 -2.022 0.000) 6.769 9.147 ( -3.227 -7.515 0.000) 8.178 9.457 ( -6.569 -4.664 0.000) 8.056 9.832 ( -4.919 -1.055 0.000) 5.031 10.208 ( -14.360 2.411 0.000) 14.561 10.367 ( -3.290 -1.428 0.000) 3.586 10.705 ( 3.702 1.591 0.000) 4.029 10.929 ( 8.277 -2.350 0.000) 8.604 11.501 ( 9.320 0.623 0.000) 9.341 12.111 ( 18.322 1.475 0.000) 18.381 12.699 ( -2.837 -1.295 0.000) 3.119 12.775 ( -2.038 -4.874 0.000) 5.283 13.505 ( -4.474 4.730 0.000) 6.511 13.953 ( 2.335 -1.096 0.000) 2.579 14.007 ( 1.190 -2.421 -0.000) 2.698 14.277 ( 6.749 11.609 0.000) 13.428 14.727 ( -5.244 1.609 -0.000) 5.486 14.912 ( -5.415 6.999 0.000) 8.849 14.990 ( 0.865 -6.471 0.000) 6.529 15.267 ( -3.073 -7.585 0.000) 8.184 16.516 ( -3.802 0.210 0.000) 3.808 16.879 ( 1.478 2.381 0.000) 2.802 17.490 ( -17.205 3.590 0.000) 17.576 17.861 ( -16.438 7.620 0.000) 18.118 18.186 ( -1.377 -3.429 0.000) 3.695 18.302 ( 5.893 2.002 0.000) 6.223 18.469 ( -2.618 -0.262 0.000) 2.631 19.018 ( 10.419 1.039 0.000) 10.471 19.395 ( 7.447 -5.710 0.000) 9.384 19.502 ( -1.220 -0.069 0.000) 1.222 19.882 ( -1.906 -0.575 0.000) 1.991 20.433 ( 0.596 -0.796 0.000) 0.994 20.958 ( 2.235 3.953 0.000) 4.541 21.132 ( 2.932 4.568 0.000) 5.428 21.710 ( -7.088 -3.370 0.000) 7.848 21.833 ( -5.366 -8.683 0.000) 10.207 ======================= Grid point 457 (136/144) ======================= q-point: ( 0.30 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 5.874 7.527 0.000) 9.548 2.743 ( 12.986 4.197 0.000) 13.647 2.979 ( 4.794 -4.229 0.000) 6.393 3.255 ( 12.108 0.961 0.000) 12.146 3.804 ( -3.003 1.091 0.000) 3.195 4.113 ( -2.706 7.346 0.000) 7.829 4.302 ( -4.078 2.077 0.000) 4.577 4.644 ( -10.710 -0.954 0.000) 10.752 5.102 ( 0.244 -1.374 0.000) 1.395 5.213 ( 8.225 4.535 0.000) 9.392 5.448 ( 5.613 -4.546 -0.000) 7.223 5.583 ( 10.016 4.730 0.000) 11.076 5.974 ( 4.243 2.696 0.000) 5.026 6.187 ( 5.685 11.674 0.000) 12.985 6.372 ( -3.908 3.238 0.000) 5.075 6.689 ( -2.563 -9.863 0.000) 10.191 6.938 ( 7.298 -8.881 0.000) 11.495 7.021 ( 2.560 -3.237 0.000) 4.127 7.442 ( -3.006 4.532 0.000) 5.438 7.539 ( -2.296 -2.149 0.000) 3.145 7.703 ( -4.194 -6.136 0.000) 7.433 8.001 ( -5.477 -13.818 -0.000) 14.864 8.097 ( 0.433 -7.094 0.000) 7.107 8.457 ( -7.963 8.722 0.000) 11.810 8.952 ( 1.168 -1.205 0.000) 1.678 8.969 ( -9.123 -11.255 -0.000) 14.488 9.373 ( -2.329 0.267 0.000) 2.345 9.690 ( -8.415 -1.853 0.000) 8.617 9.928 ( -12.036 1.924 0.000) 12.189 10.298 ( -3.298 -1.084 0.000) 3.471 10.769 ( 1.805 2.069 0.000) 2.745 11.027 ( 2.857 0.826 0.000) 2.974 11.848 ( 23.093 0.477 0.000) 23.098 12.446 ( 13.762 1.215 0.000) 13.816 12.669 ( -0.068 -0.037 0.000) 0.077 12.747 ( -0.452 -3.964 0.000) 3.990 13.413 ( -4.610 2.848 0.000) 5.419 13.970 ( -1.283 -1.897 0.000) 2.290 13.997 ( -2.159 -0.759 0.000) 2.288 14.405 ( 6.163 14.392 0.000) 15.656 14.629 ( -4.902 3.026 0.000) 5.760 14.746 ( -9.481 4.721 0.000) 10.592 15.088 ( 6.645 -3.462 0.000) 7.492 15.172 ( -4.260 -7.030 0.000) 8.219 16.458 ( -2.046 1.523 0.000) 2.551 16.874 ( -2.819 2.164 0.000) 3.554 17.126 ( -16.492 2.015 0.000) 16.615 17.533 ( -15.050 4.658 0.000) 15.754 18.179 ( 0.985 -1.774 0.000) 2.029 18.406 ( 1.499 1.158 0.000) 1.894 18.506 ( 8.037 -1.004 0.000) 8.100 19.180 ( 4.896 2.661 0.000) 5.572 19.436 ( -1.028 0.132 0.000) 1.036 19.598 ( 9.046 -6.608 0.000) 11.203 19.865 ( -0.471 -0.174 0.000) 0.502 20.384 ( -5.228 -1.117 0.000) 5.346 21.018 ( 3.349 3.460 0.000) 4.815 21.167 ( 0.627 2.740 0.000) 2.811 21.581 ( -5.272 -2.531 0.000) 5.848 21.710 ( -6.321 -8.543 0.000) 10.627 ======================= Grid point 459 (137/144) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 2.828 3.838 0.000) 4.767 2.874 ( 0.518 5.158 0.000) 5.184 3.205 ( 15.454 -4.027 0.000) 15.970 3.467 ( 7.846 3.482 0.000) 8.584 3.822 ( 4.070 1.973 0.000) 4.523 4.057 ( -2.261 8.528 0.000) 8.823 4.198 ( -6.065 0.921 0.000) 6.134 4.368 ( -14.452 -2.143 0.000) 14.610 5.095 ( 0.016 -3.570 0.000) 3.570 5.385 ( 6.932 6.276 0.000) 9.351 5.553 ( 4.020 -7.218 0.000) 8.262 5.759 ( 5.996 12.947 0.000) 14.268 6.080 ( 4.777 0.393 0.000) 4.793 6.286 ( 0.662 6.320 0.000) 6.355 6.359 ( 5.825 6.087 0.000) 8.425 6.647 ( -1.423 -3.588 0.000) 3.860 7.068 ( 1.645 -2.452 0.000) 2.953 7.074 ( 6.668 -13.011 0.000) 14.620 7.367 ( -5.243 -8.923 0.000) 10.349 7.495 ( -1.976 -0.003 0.000) 1.976 7.645 ( -0.105 -5.027 0.000) 5.028 7.888 ( -3.815 -7.325 0.000) 8.259 8.110 ( -2.051 -5.995 0.000) 6.337 8.305 ( -5.023 2.779 0.000) 5.741 8.650 ( -14.965 -10.141 0.000) 18.077 9.061 ( 3.880 -0.281 0.000) 3.890 9.339 ( -1.058 -1.180 0.000) 1.585 9.526 ( -6.683 -3.058 0.000) 7.349 9.751 ( -5.406 1.978 0.000) 5.756 10.240 ( -2.176 -0.179 0.000) 2.183 10.772 ( -0.909 0.793 0.000) 1.206 11.086 ( 2.731 3.237 0.000) 4.235 12.339 ( 22.783 0.845 0.000) 22.799 12.655 ( 6.954 0.487 0.000) 6.971 12.681 ( 0.657 -0.470 -0.000) 0.808 12.758 ( 1.221 -0.052 0.000) 1.223 13.323 ( -4.104 0.679 0.000) 4.160 13.879 ( -6.394 2.177 0.000) 6.754 13.958 ( -1.602 -0.709 0.000) 1.752 14.408 ( -9.968 8.251 0.000) 12.940 14.535 ( 0.021 7.187 0.000) 7.188 14.652 ( 0.472 4.134 0.000) 4.160 15.118 ( 1.155 -9.999 0.000) 10.066 15.237 ( 5.205 2.948 0.000) 5.982 16.427 ( -1.146 4.750 0.000) 4.886 16.692 ( -12.197 0.920 0.000) 12.231 16.962 ( -0.933 -0.326 0.000) 0.989 17.275 ( -9.959 2.041 0.000) 10.166 18.211 ( 1.638 0.827 0.000) 1.835 18.424 ( 0.688 0.004 0.000) 0.688 18.699 ( 9.610 -2.515 0.000) 9.934 19.172 ( -4.819 0.101 0.000) 4.820 19.493 ( 5.920 5.289 0.000) 7.939 19.753 ( 4.444 -2.243 0.000) 4.978 19.863 ( 1.551 -4.438 0.000) 4.702 20.238 ( -8.350 -2.108 0.000) 8.612 21.081 ( 2.486 3.822 0.000) 4.560 21.172 ( 0.320 0.914 0.000) 0.968 21.503 ( -2.510 -4.459 0.000) 5.117 21.593 ( -4.766 -6.677 0.000) 8.203 ======================= Grid point 461 (138/144) ======================= q-point: (-0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 0.000 1.591 0.000) 1.591 2.868 ( 0.000 4.383 0.000) 4.383 3.415 ( 0.000 -1.194 0.000) 1.194 3.542 ( 0.000 5.103 0.000) 5.103 3.888 ( 0.000 3.020 0.000) 3.020 4.054 ( 0.000 6.013 0.000) 6.013 4.100 ( -0.000 2.594 0.000) 2.594 4.176 ( 0.000 -3.632 0.000) 3.632 5.097 ( 0.000 -3.993 0.000) 3.993 5.459 ( 0.000 6.191 -0.000) 6.191 5.595 ( 0.000 -7.897 0.000) 7.897 5.818 ( 0.000 14.839 0.000) 14.839 6.118 ( 0.000 2.836 0.000) 2.836 6.307 ( 0.000 -0.168 0.000) 0.168 6.441 ( 0.000 9.117 0.000) 9.117 6.633 ( -0.000 1.986 0.000) 1.986 7.083 ( 0.000 -1.992 0.000) 1.992 7.192 ( -0.000 -16.871 0.000) 16.871 7.265 ( 0.000 -14.250 0.000) 14.250 7.464 ( 0.000 -2.535 0.000) 2.535 7.651 ( -0.000 -7.715 0.000) 7.715 7.922 ( -0.000 2.415 0.000) 2.415 7.979 ( 0.000 2.648 -0.000) 2.648 8.306 ( 0.000 -12.324 0.000) 12.324 8.457 ( -0.000 -6.107 0.000) 6.107 9.101 ( 0.000 -0.874 0.000) 0.874 9.329 ( 0.000 -1.619 0.000) 1.619 9.454 ( 0.000 -3.261 0.000) 3.261 9.698 ( 0.000 2.209 0.000) 2.209 10.217 ( 0.000 0.349 0.000) 0.349 10.759 ( 0.000 -0.005 0.000) 0.005 11.117 ( 0.000 3.974 0.000) 3.974 12.642 ( 0.000 1.231 0.000) 1.231 12.659 ( 0.000 -0.952 0.000) 0.952 12.727 ( 0.000 1.014 0.000) 1.014 12.778 ( 0.000 0.822 0.000) 0.822 13.269 ( 0.000 -0.632 0.000) 0.632 13.790 ( 0.000 5.798 0.000) 5.798 13.941 ( 0.000 -0.669 0.000) 0.669 14.273 ( 0.000 5.172 0.000) 5.172 14.532 ( 0.000 0.417 0.000) 0.417 14.671 ( 0.000 10.743 0.000) 10.743 15.150 ( 0.000 -9.358 0.000) 9.358 15.291 ( 0.000 4.318 0.000) 4.318 16.415 ( -0.000 6.570 0.000) 6.570 16.548 ( 0.000 0.721 0.000) 0.721 16.971 ( 0.000 -3.392 0.000) 3.392 17.160 ( -0.000 2.377 0.000) 2.377 18.230 ( 0.000 1.884 0.000) 1.884 18.432 ( 0.000 -0.181 0.000) 0.181 18.829 ( 0.000 -5.207 0.000) 5.207 19.087 ( 0.000 1.890 0.000) 1.890 19.580 ( 0.000 6.140 0.000) 6.140 19.764 ( 0.000 3.657 0.000) 3.657 19.925 ( 0.000 -10.338 0.000) 10.338 20.118 ( -0.000 -2.215 0.000) 2.215 21.106 ( 0.000 3.989 0.000) 3.989 21.180 ( 0.000 0.863 0.000) 0.863 21.476 ( 0.000 -8.649 0.000) 8.649 21.540 ( 0.000 -3.288 0.000) 3.288 ======================= Grid point 473 (139/144) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 0.000 0.000 0.000) 0.000 2.262 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.599 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 7.866 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 9.682 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.480 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 10.656 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 12.792 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 13.773 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 15.059 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 16.740 ( 0.000 0.000 0.000) 0.000 18.035 ( 0.000 0.000 0.000) 0.000 18.035 ( 0.000 0.000 0.000) 0.000 18.381 ( 0.000 0.000 0.000) 0.000 18.381 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 19.357 ( 0.000 0.000 0.000) 0.000 19.357 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 20.169 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 21.028 ( 0.000 0.000 0.000) 0.000 21.852 ( 0.000 0.000 0.000) 0.000 21.852 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 477 (140/144) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 3.554 -0.000 0.000) 3.554 2.405 ( 7.734 -0.000 0.000) 7.734 2.841 ( 5.485 -0.000 0.000) 5.485 2.849 ( 3.649 0.000 0.000) 3.649 4.121 ( -9.382 -0.000 0.000) 9.382 4.224 ( -1.495 -0.000 0.000) 1.495 4.432 ( -1.918 -0.000 -0.000) 1.918 4.790 ( 12.074 -0.000 0.000) 12.074 4.816 ( -0.062 0.000 -0.000) 0.062 4.908 ( 5.216 0.000 0.000) 5.216 5.428 ( -6.372 0.000 0.000) 6.372 5.582 ( -2.402 0.000 0.000) 2.402 6.008 ( -4.214 0.000 0.000) 4.214 6.316 ( 8.450 0.000 0.000) 8.450 6.505 ( -6.264 0.000 0.000) 6.264 6.559 ( -1.877 -0.000 0.000) 1.877 6.692 ( 0.298 0.000 0.000) 0.298 6.803 ( 6.559 0.000 0.000) 6.559 7.573 ( -1.163 -0.000 0.000) 1.163 7.638 ( 1.615 0.000 0.000) 1.615 7.750 ( -4.751 0.000 0.000) 4.751 7.952 ( 2.124 0.000 0.000) 2.124 8.276 ( -9.886 0.000 0.000) 9.886 8.651 ( 7.962 0.000 0.000) 7.962 8.877 ( -7.703 0.000 0.000) 7.703 9.104 ( 1.060 0.000 0.000) 1.060 9.510 ( -7.198 0.000 0.000) 7.198 9.824 ( 4.164 0.000 0.000) 4.164 10.405 ( -3.793 0.000 0.000) 3.793 10.508 ( -9.799 0.000 0.000) 9.799 10.608 ( 7.324 0.000 0.000) 7.324 10.733 ( 4.871 0.000 0.000) 4.871 11.439 ( -0.720 0.000 0.000) 0.720 11.760 ( 15.963 -0.000 0.000) 15.963 12.752 ( -3.149 0.000 0.000) 3.149 12.772 ( -2.195 0.000 0.000) 2.195 13.656 ( -5.258 0.000 0.000) 5.258 13.884 ( 4.775 0.000 0.000) 4.775 13.967 ( -1.534 0.000 0.000) 1.534 14.201 ( 10.603 0.000 0.000) 10.603 14.845 ( -6.724 0.000 0.000) 6.724 14.974 ( -4.480 0.000 0.000) 4.480 15.069 ( -1.012 -0.000 0.000) 1.012 15.147 ( 4.116 0.000 0.000) 4.116 16.618 ( -5.827 0.000 0.000) 5.827 16.843 ( 4.138 0.000 0.000) 4.138 17.835 ( -12.062 0.000 0.000) 12.062 18.179 ( 6.413 0.000 0.000) 6.413 18.213 ( -6.632 0.000 0.000) 6.632 18.291 ( -13.073 -0.000 0.000) 13.073 18.554 ( -3.942 0.000 0.000) 3.942 18.737 ( 14.256 0.000 0.000) 14.256 19.282 ( -0.115 0.000 0.000) 0.115 19.481 ( 4.146 0.000 0.000) 4.146 19.967 ( -7.898 0.000 0.000) 7.898 20.350 ( 6.618 0.000 0.000) 6.618 20.987 ( -0.638 0.000 0.000) 0.638 21.112 ( 4.393 0.000 0.000) 4.393 21.798 ( -4.474 0.000 0.000) 4.474 21.825 ( -3.279 0.000 0.000) 3.279 ======================= Grid point 481 (141/144) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 13.884 -0.000 0.000) 13.884 2.543 ( 5.509 -0.000 0.000) 5.509 2.916 ( 2.496 0.000 0.000) 2.496 3.012 ( 10.968 -0.000 0.000) 10.968 3.926 ( -8.624 0.000 0.000) 8.624 4.197 ( -1.106 -0.000 0.000) 1.106 4.398 ( -2.467 -0.000 -0.000) 2.467 4.776 ( -3.258 0.000 0.000) 3.258 5.035 ( 8.857 -0.000 0.000) 8.857 5.057 ( 9.345 0.000 0.000) 9.345 5.349 ( -0.570 0.000 0.000) 0.570 5.498 ( -2.619 0.000 0.000) 2.619 5.975 ( 0.830 0.000 0.000) 0.830 6.399 ( -3.438 0.000 0.000) 3.438 6.436 ( 3.125 0.000 0.000) 3.125 6.613 ( 6.310 -0.000 0.000) 6.310 6.643 ( -4.558 0.000 -0.000) 4.558 6.917 ( 4.534 0.000 0.000) 4.534 7.540 ( -2.460 -0.000 0.000) 2.460 7.618 ( -2.494 0.000 -0.000) 2.494 7.725 ( 1.203 0.000 0.000) 1.203 7.908 ( -7.282 0.000 0.000) 7.282 8.111 ( -5.258 0.000 0.000) 5.258 8.727 ( -6.920 0.000 0.000) 6.920 8.802 ( 7.017 0.000 0.000) 7.017 9.037 ( -7.710 0.000 0.000) 7.710 9.417 ( -2.292 0.000 0.000) 2.292 9.822 ( -4.492 0.000 0.000) 4.492 10.229 ( -13.927 0.000 0.000) 13.927 10.357 ( -4.039 0.000 -0.000) 4.039 10.720 ( 4.448 0.000 0.000) 4.448 10.906 ( 9.367 0.000 0.000) 9.367 11.508 ( 9.362 -0.000 0.000) 9.362 12.123 ( 18.391 -0.000 0.000) 18.391 12.693 ( -1.825 0.000 0.000) 1.825 12.719 ( -2.560 0.000 0.000) 2.560 13.554 ( -5.173 0.000 0.000) 5.173 13.955 ( 0.032 -0.000 0.000) 0.032 13.966 ( 3.058 0.000 0.000) 3.058 14.415 ( 9.277 0.000 0.000) 9.277 14.758 ( -1.953 0.000 -0.000) 1.953 14.874 ( -5.204 -0.000 0.000) 5.204 15.035 ( -0.901 -0.000 0.000) 0.901 15.152 ( -3.912 0.000 0.000) 3.912 16.518 ( -3.709 0.000 0.000) 3.709 16.903 ( 1.662 0.000 0.000) 1.662 17.529 ( -17.994 0.000 0.000) 17.994 17.951 ( -18.534 0.000 0.000) 18.534 18.135 ( -1.014 -0.000 0.000) 1.014 18.327 ( 7.583 -0.000 0.000) 7.583 18.463 ( -3.731 0.000 0.000) 3.731 19.029 ( 13.246 0.000 0.000) 13.246 19.334 ( 4.482 0.000 0.000) 4.482 19.501 ( -1.223 0.000 0.000) 1.223 19.879 ( -1.382 0.000 0.000) 1.382 20.424 ( 0.589 0.000 0.000) 0.589 21.001 ( 1.902 0.000 0.000) 1.902 21.184 ( 2.284 0.000 0.000) 2.284 21.687 ( -5.832 0.000 0.000) 5.832 21.728 ( -6.099 0.000 0.000) 6.099 ======================= Grid point 485 (142/144) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( 2.528 -0.000 0.000) 2.528 2.766 ( 19.558 -0.000 0.000) 19.558 2.942 ( 0.044 0.000 0.000) 0.044 3.261 ( 12.822 -0.000 0.000) 12.822 3.809 ( -2.263 0.000 0.000) 2.263 4.178 ( -0.956 -0.000 0.000) 0.956 4.318 ( -5.347 -0.000 0.000) 5.347 4.638 ( -11.245 0.000 0.000) 11.245 5.078 ( -2.092 0.000 0.000) 2.092 5.266 ( 10.425 -0.000 0.000) 10.425 5.398 ( 4.395 0.000 0.000) 4.395 5.623 ( 13.649 0.000 0.000) 13.649 6.025 ( 3.429 0.000 0.000) 3.429 6.400 ( 4.341 0.000 0.000) 4.341 6.425 ( -5.211 -0.000 0.000) 5.211 6.580 ( 0.647 0.000 -0.000) 0.647 6.746 ( 5.741 -0.000 0.000) 5.741 6.982 ( 1.816 0.000 0.000) 1.816 7.452 ( -6.799 0.000 0.000) 6.799 7.593 ( 0.114 0.000 -0.000) 0.114 7.715 ( -9.662 -0.000 0.000) 9.662 7.740 ( 0.324 0.000 0.000) 0.324 8.044 ( -1.891 0.000 0.000) 1.891 8.594 ( -6.344 0.000 0.000) 6.344 8.793 ( -14.592 0.000 0.000) 14.592 8.951 ( 5.991 0.000 0.000) 5.991 9.380 ( -2.028 0.000 0.000) 2.028 9.669 ( -9.463 0.000 0.000) 9.463 9.948 ( -12.185 0.000 0.000) 12.185 10.287 ( -2.960 0.000 0.000) 2.960 10.789 ( 1.440 0.000 0.000) 1.440 11.035 ( 4.419 0.000 0.000) 4.419 11.856 ( 23.283 -0.000 0.000) 23.283 12.452 ( 13.164 0.000 0.000) 13.164 12.681 ( -1.088 0.000 0.000) 1.088 12.699 ( 2.446 -0.000 0.000) 2.446 13.442 ( -5.719 0.000 0.000) 5.719 13.952 ( -0.757 0.000 0.000) 0.757 13.987 ( -1.410 0.000 0.000) 1.410 14.577 ( 6.858 0.000 0.000) 6.858 14.710 ( -2.553 0.000 0.000) 2.553 14.747 ( -8.656 -0.000 0.000) 8.656 15.014 ( -7.634 -0.000 0.000) 7.634 15.107 ( 7.682 0.000 0.000) 7.682 16.473 ( -0.761 0.000 0.000) 0.761 16.897 ( -3.347 0.000 -0.000) 3.347 17.149 ( -17.197 0.000 0.000) 17.197 17.580 ( -17.051 0.000 0.000) 17.051 18.158 ( 2.657 0.000 0.000) 2.657 18.421 ( -0.563 -0.000 0.000) 0.563 18.494 ( 8.821 0.000 0.000) 8.821 19.211 ( 2.937 0.000 0.000) 2.937 19.447 ( 6.623 -0.000 0.000) 6.623 19.513 ( 4.298 0.000 0.000) 4.298 19.868 ( -0.419 0.000 0.000) 0.419 20.373 ( -5.519 -0.000 0.000) 5.519 21.057 ( 3.480 0.000 0.000) 3.480 21.199 ( -0.621 0.000 0.000) 0.621 21.583 ( -4.064 -0.000 0.000) 4.064 21.590 ( -7.189 0.000 0.000) 7.189 ======================= Grid point 489 (143/144) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 0.845 0.000 0.000) 0.845 2.925 ( -1.304 -0.000 0.000) 1.304 3.165 ( 18.523 0.000 0.000) 18.523 3.496 ( 9.170 -0.000 0.000) 9.170 3.835 ( 4.068 0.000 0.000) 4.068 4.151 ( -1.626 -0.000 0.000) 1.626 4.192 ( -6.564 0.000 0.000) 6.564 4.351 ( -14.930 0.000 0.000) 14.930 5.050 ( -0.533 0.000 0.000) 0.533 5.443 ( 5.976 0.000 -0.000) 5.976 5.490 ( 4.273 0.000 0.000) 4.273 5.911 ( 11.883 0.000 0.000) 11.883 6.091 ( 2.760 0.000 0.000) 2.760 6.303 ( -4.792 0.000 0.000) 4.792 6.573 ( 11.511 0.000 0.000) 11.511 6.640 ( 4.544 -0.000 0.000) 4.544 6.823 ( 1.501 -0.000 0.000) 1.501 6.991 ( -0.965 0.000 0.000) 0.965 7.268 ( -10.054 0.000 0.000) 10.054 7.555 ( -6.027 -0.000 0.000) 6.027 7.582 ( -2.271 0.000 -0.000) 2.271 7.794 ( 6.677 0.000 0.000) 6.677 8.040 ( 1.377 0.000 0.000) 1.377 8.436 ( -19.147 0.000 0.000) 19.147 8.466 ( -5.987 -0.000 0.000) 5.987 9.053 ( 3.261 0.000 0.000) 3.261 9.341 ( -1.154 0.000 0.000) 1.154 9.488 ( -7.237 0.000 0.000) 7.237 9.771 ( -5.314 0.000 0.000) 5.314 10.239 ( -1.696 0.000 0.000) 1.696 10.778 ( -1.580 0.000 0.000) 1.580 11.118 ( 3.449 0.000 0.000) 3.449 12.351 ( 22.845 0.000 0.000) 22.845 12.654 ( 7.187 0.000 -0.000) 7.187 12.675 ( 0.266 0.000 0.000) 0.266 12.763 ( 2.692 0.000 0.000) 2.692 13.329 ( -5.147 0.000 0.000) 5.147 13.922 ( -1.867 0.000 0.000) 1.867 13.924 ( -3.791 -0.000 0.000) 3.791 14.498 ( -13.825 0.000 0.000) 13.825 14.572 ( -3.630 0.000 0.000) 3.630 14.819 ( 9.416 0.000 0.000) 9.416 14.918 ( -2.001 -0.000 0.000) 2.001 15.266 ( 6.407 -0.000 0.000) 6.407 16.480 ( 1.028 0.000 0.000) 1.028 16.702 ( -12.455 0.000 0.000) 12.455 16.957 ( -3.322 0.000 0.000) 3.322 17.293 ( -10.475 0.000 0.000) 10.475 18.219 ( 2.771 0.000 0.000) 2.771 18.424 ( 0.382 0.000 0.000) 0.382 18.673 ( 8.184 0.000 0.000) 8.184 19.173 ( -4.496 0.000 0.000) 4.496 19.599 ( 7.892 -0.000 0.000) 7.892 19.650 ( 7.313 0.000 0.000) 7.313 19.847 ( -1.858 0.000 0.000) 1.858 20.218 ( -8.813 -0.000 0.000) 8.813 21.135 ( 4.001 -0.000 0.000) 4.001 21.178 ( -1.009 0.000 0.000) 1.009 21.449 ( -6.274 0.000 0.000) 6.274 21.525 ( -1.814 0.000 0.000) 1.814 ======================= Grid point 493 (144/144) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.34e-04 3.34e-04 2.84e-04 2.84e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.584 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.141 ( 0.000 0.000 0.000) 0.000 4.147 ( -0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 -0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.754 ( -0.000 0.000 0.000) 0.000 6.818 ( -0.000 -0.000 0.000) 0.000 6.946 ( 0.000 -0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.960 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.391 ( 0.000 0.000 0.000) 0.000 9.081 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 10.221 ( 0.000 0.000 0.000) 0.000 10.758 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 12.649 ( -0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 13.263 ( 0.000 0.000 0.000) 0.000 13.877 ( 0.000 0.000 0.000) 0.000 13.896 ( 0.000 0.000 0.000) 0.000 14.328 ( -0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 -0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 16.495 ( 0.000 0.000 0.000) 0.000 16.558 ( 0.000 0.000 0.000) 0.000 16.926 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 18.250 ( 0.000 0.000 0.000) 0.000 18.428 ( 0.000 0.000 0.000) 0.000 18.775 ( 0.000 0.000 0.000) 0.000 19.107 ( 0.000 0.000 0.000) 0.000 19.707 ( 0.000 0.000 0.000) 0.000 19.757 ( 0.000 -0.000 0.000) 0.000 19.799 ( 0.000 0.000 0.000) 0.000 20.097 ( 0.000 0.000 0.000) 0.000 21.167 ( 0.000 0.000 0.000) 0.000 21.191 ( 0.000 0.000 0.000) 0.000 21.370 ( 0.000 0.000 0.000) 0.000 21.507 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 905.368 1426.839 770.186 0.000 0.000 0.000 3/36000 20.0 347.039 443.532 533.228 0.000 0.000 0.000 3/36000 30.0 142.708 191.598 223.625 0.000 0.000 0.000 3/36000 40.0 70.643 95.564 108.251 0.000 0.000 0.000 3/36000 50.0 41.015 56.212 61.893 0.000 0.000 0.000 3/36000 60.0 26.780 37.251 40.085 0.000 0.000 0.000 3/36000 70.0 19.059 26.860 28.393 0.000 0.000 0.000 3/36000 80.0 14.457 20.592 21.463 0.000 0.000 0.000 3/36000 90.0 11.503 16.521 17.024 0.000 0.000 0.000 3/36000 100.0 9.490 13.717 14.001 0.000 0.000 0.000 3/36000 110.0 8.053 11.693 11.839 0.000 0.000 0.000 3/36000 120.0 6.985 10.174 10.230 0.000 0.000 0.000 3/36000 130.0 6.167 8.999 8.993 0.000 0.000 0.000 3/36000 140.0 5.522 8.065 8.017 0.000 0.000 0.000 3/36000 150.0 5.003 7.307 7.229 0.000 0.000 0.000 3/36000 160.0 4.577 6.681 6.581 0.000 0.000 0.000 3/36000 170.0 4.221 6.155 6.039 0.000 0.000 0.000 3/36000 180.0 3.919 5.708 5.580 0.000 0.000 0.000 3/36000 190.0 3.661 5.323 5.186 0.000 0.000 0.000 3/36000 200.0 3.436 4.988 4.845 0.000 0.000 0.000 3/36000 210.0 3.240 4.694 4.547 0.000 0.000 0.000 3/36000 220.0 3.066 4.434 4.284 0.000 0.000 0.000 3/36000 230.0 2.912 4.202 4.050 0.000 0.000 0.000 3/36000 240.0 2.773 3.995 3.841 0.000 0.000 0.000 3/36000 250.0 2.648 3.808 3.654 0.000 0.000 0.000 3/36000 260.0 2.535 3.638 3.484 0.000 0.000 0.000 3/36000 270.0 2.431 3.483 3.330 0.000 0.000 0.000 3/36000 280.0 2.336 3.342 3.189 0.000 0.000 0.000 3/36000 290.0 2.249 3.212 3.060 0.000 0.000 0.000 3/36000 300.0 2.168 3.092 2.941 0.000 0.000 0.000 3/36000 310.0 2.094 2.981 2.832 0.000 0.000 0.000 3/36000 320.0 2.024 2.878 2.730 0.000 0.000 0.000 3/36000 330.0 1.960 2.783 2.636 0.000 0.000 0.000 3/36000 340.0 1.899 2.693 2.549 0.000 0.000 0.000 3/36000 350.0 1.842 2.610 2.467 0.000 0.000 0.000 3/36000 360.0 1.789 2.531 2.390 0.000 0.000 0.000 3/36000 370.0 1.739 2.458 2.318 0.000 0.000 0.000 3/36000 380.0 1.692 2.388 2.251 0.000 0.000 0.000 3/36000 390.0 1.647 2.323 2.187 0.000 0.000 0.000 3/36000 400.0 1.605 2.261 2.127 0.000 0.000 0.000 3/36000 410.0 1.565 2.203 2.071 0.000 0.000 0.000 3/36000 420.0 1.526 2.147 2.017 0.000 0.000 0.000 3/36000 430.0 1.490 2.095 1.966 0.000 0.000 0.000 3/36000 440.0 1.456 2.045 1.918 0.000 0.000 0.000 3/36000 450.0 1.423 1.997 1.872 0.000 0.000 0.000 3/36000 460.0 1.391 1.952 1.828 0.000 0.000 0.000 3/36000 470.0 1.361 1.908 1.787 0.000 0.000 0.000 3/36000 480.0 1.332 1.867 1.747 0.000 0.000 0.000 3/36000 490.0 1.305 1.827 1.709 0.000 0.000 0.000 3/36000 500.0 1.279 1.789 1.673 0.000 0.000 0.000 3/36000 510.0 1.253 1.753 1.638 0.000 0.000 0.000 3/36000 520.0 1.229 1.718 1.605 0.000 0.000 0.000 3/36000 530.0 1.205 1.684 1.573 0.000 0.000 0.000 3/36000 540.0 1.183 1.652 1.542 0.000 0.000 0.000 3/36000 550.0 1.161 1.621 1.512 0.000 0.000 0.000 3/36000 560.0 1.140 1.591 1.484 0.000 0.000 0.000 3/36000 570.0 1.120 1.563 1.457 0.000 0.000 0.000 3/36000 580.0 1.101 1.535 1.431 0.000 0.000 0.000 3/36000 590.0 1.082 1.508 1.405 0.000 0.000 0.000 3/36000 600.0 1.064 1.483 1.381 0.000 0.000 0.000 3/36000 610.0 1.047 1.458 1.357 0.000 0.000 0.000 3/36000 620.0 1.030 1.434 1.334 0.000 0.000 0.000 3/36000 630.0 1.013 1.410 1.312 0.000 0.000 0.000 3/36000 640.0 0.997 1.388 1.291 0.000 0.000 0.000 3/36000 650.0 0.982 1.366 1.270 0.000 0.000 0.000 3/36000 660.0 0.967 1.345 1.251 0.000 0.000 0.000 3/36000 670.0 0.953 1.324 1.231 0.000 0.000 0.000 3/36000 680.0 0.939 1.305 1.213 0.000 0.000 0.000 3/36000 690.0 0.925 1.285 1.194 0.000 0.000 0.000 3/36000 700.0 0.912 1.267 1.177 0.000 0.000 0.000 3/36000 710.0 0.899 1.249 1.160 0.000 0.000 0.000 3/36000 720.0 0.886 1.231 1.143 0.000 0.000 0.000 3/36000 730.0 0.874 1.214 1.127 0.000 0.000 0.000 3/36000 740.0 0.862 1.197 1.111 0.000 0.000 0.000 3/36000 750.0 0.851 1.181 1.096 0.000 0.000 0.000 3/36000 760.0 0.840 1.165 1.081 0.000 0.000 0.000 3/36000 770.0 0.829 1.150 1.067 0.000 0.000 0.000 3/36000 780.0 0.818 1.135 1.053 0.000 0.000 0.000 3/36000 790.0 0.808 1.120 1.039 0.000 0.000 0.000 3/36000 800.0 0.798 1.106 1.026 0.000 0.000 0.000 3/36000 810.0 0.788 1.092 1.013 0.000 0.000 0.000 3/36000 820.0 0.778 1.079 1.000 0.000 0.000 0.000 3/36000 830.0 0.769 1.066 0.988 0.000 0.000 0.000 3/36000 840.0 0.760 1.053 0.976 0.000 0.000 0.000 3/36000 850.0 0.751 1.040 0.964 0.000 0.000 0.000 3/36000 860.0 0.742 1.028 0.953 0.000 0.000 0.000 3/36000 870.0 0.734 1.016 0.942 0.000 0.000 0.000 3/36000 880.0 0.725 1.005 0.931 0.000 0.000 0.000 3/36000 890.0 0.717 0.993 0.920 0.000 0.000 0.000 3/36000 900.0 0.709 0.982 0.910 0.000 0.000 0.000 3/36000 910.0 0.701 0.971 0.899 0.000 0.000 0.000 3/36000 920.0 0.694 0.960 0.889 0.000 0.000 0.000 3/36000 930.0 0.686 0.950 0.880 0.000 0.000 0.000 3/36000 940.0 0.679 0.940 0.870 0.000 0.000 0.000 3/36000 950.0 0.672 0.930 0.861 0.000 0.000 0.000 3/36000 960.0 0.665 0.920 0.852 0.000 0.000 0.000 3/36000 970.0 0.658 0.911 0.843 0.000 0.000 0.000 3/36000 980.0 0.651 0.901 0.834 0.000 0.000 0.000 3/36000 990.0 0.645 0.892 0.826 0.000 0.000 0.000 3/36000 1000.0 0.638 0.883 0.817 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:01:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|