----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:49:48]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.900022167835742 0.000000000000000 0.000000000000000 b -2.950011083917871 5.109569080237087 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751560340000000 Atomic positions (fractional): *1 Ba 0.34611587605901 0.34611587605901 0.50000000000000 137.327 2 Ba 0.00000000000000 0.65388412394099 0.16666666666667 137.327 3 Ba 0.65388412394099 0.00000000000000 0.83333333333333 137.327 *4 Mg 0.42304091515712 0.42304091515712 0.00000000000000 24.305 5 Mg 0.00000000000000 0.57695908484288 0.66666666666667 24.305 6 Mg 0.57695908484288 0.00000000000000 0.33333333333333 24.305 *7 O 0.42779762884996 0.12818720187733 0.12583466436344 15.999 8 O 0.70038957302737 0.57220237115004 0.79250133103010 15.999 9 O 0.87181279812267 0.29961042697263 0.45916799769677 15.999 10 O 0.29961042697263 0.87181279812267 0.54083200230323 15.999 11 O 0.12818720187733 0.42779762884996 0.87416533563656 15.999 12 O 0.57220237115004 0.70038957302737 0.20749866896990 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.900022167835742 0.000000000000000 0.000000000000000 b -2.950011083917871 5.109569080237087 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751560340000000 Atomic positions (fractional): *1 Ba 0.34611587605901 0.34611587605901 0.50000000000000 137.327 > 1 2 Ba 0.00000000000000 0.65388412394099 0.16666666666667 137.327 > 2 3 Ba 0.65388412394099 0.00000000000000 0.83333333333333 137.327 > 3 *4 Mg 0.42304091515712 0.42304091515712 0.00000000000000 24.305 > 4 5 Mg 0.00000000000000 0.57695908484288 0.66666666666667 24.305 > 5 6 Mg 0.57695908484288 0.00000000000000 0.33333333333333 24.305 > 6 *7 O 0.42779762884996 0.12818720187733 0.12583466436344 15.999 > 7 8 O 0.70038957302737 0.57220237115004 0.79250133103010 15.999 > 8 9 O 0.87181279812267 0.29961042697263 0.45916799769677 15.999 > 9 10 O 0.29961042697263 0.87181279812267 0.54083200230323 15.999 > 10 11 O 0.12818720187733 0.42779762884996 0.87416533563656 15.999 > 11 12 O 0.57220237115004 0.70038957302737 0.20749866896990 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.800044335671483 0.000000000000000 0.000000000000000 b -5.900022167835742 10.219138160474174 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503120680000000 Atomic positions (fractional): *1 Ba 0.17305793802950 0.17305793802950 0.25000000000000 137.327 > 1 2 Ba 0.67305793802950 0.17305793802950 0.25000000000000 137.327 > 1 3 Ba 0.17305793802950 0.67305793802950 0.25000000000000 137.327 > 1 4 Ba 0.67305793802950 0.67305793802950 0.25000000000000 137.327 > 1 5 Ba 0.17305793802950 0.17305793802950 0.75000000000000 137.327 > 1 6 Ba 0.67305793802950 0.17305793802950 0.75000000000000 137.327 > 1 7 Ba 0.17305793802950 0.67305793802950 0.75000000000000 137.327 > 1 8 Ba 0.67305793802950 0.67305793802950 0.75000000000000 137.327 > 1 9 Ba 0.00000000000000 0.32694206197050 0.08333333333333 137.327 > 2 10 Ba 0.50000000000000 0.32694206197050 0.08333333333333 137.327 > 2 11 Ba 0.00000000000000 0.82694206197050 0.08333333333333 137.327 > 2 12 Ba 0.50000000000000 0.82694206197050 0.08333333333333 137.327 > 2 13 Ba 0.00000000000000 0.32694206197050 0.58333333333333 137.327 > 2 14 Ba 0.50000000000000 0.32694206197050 0.58333333333333 137.327 > 2 15 Ba 0.00000000000000 0.82694206197050 0.58333333333333 137.327 > 2 16 Ba 0.50000000000000 0.82694206197050 0.58333333333333 137.327 > 2 17 Ba 0.32694206197050 0.00000000000000 0.41666666666667 137.327 > 3 18 Ba 0.82694206197050 0.00000000000000 0.41666666666667 137.327 > 3 19 Ba 0.32694206197050 0.50000000000000 0.41666666666667 137.327 > 3 20 Ba 0.82694206197050 0.50000000000000 0.41666666666667 137.327 > 3 21 Ba 0.32694206197050 0.00000000000000 0.91666666666667 137.327 > 3 22 Ba 0.82694206197050 0.00000000000000 0.91666666666667 137.327 > 3 23 Ba 0.32694206197050 0.50000000000000 0.91666666666667 137.327 > 3 24 Ba 0.82694206197050 0.50000000000000 0.91666666666667 137.327 > 3 *25 Mg 0.21152045757856 0.21152045757856 0.00000000000000 24.305 > 4 26 Mg 0.71152045757856 0.21152045757856 0.00000000000000 24.305 > 4 27 Mg 0.21152045757856 0.71152045757856 0.00000000000000 24.305 > 4 28 Mg 0.71152045757856 0.71152045757856 0.00000000000000 24.305 > 4 29 Mg 0.21152045757856 0.21152045757856 0.50000000000000 24.305 > 4 30 Mg 0.71152045757856 0.21152045757856 0.50000000000000 24.305 > 4 31 Mg 0.21152045757856 0.71152045757856 0.50000000000000 24.305 > 4 32 Mg 0.71152045757856 0.71152045757856 0.50000000000000 24.305 > 4 33 Mg 0.00000000000000 0.28847954242144 0.33333333333333 24.305 > 5 34 Mg 0.50000000000000 0.28847954242144 0.33333333333333 24.305 > 5 35 Mg 0.00000000000000 0.78847954242144 0.33333333333333 24.305 > 5 36 Mg 0.50000000000000 0.78847954242144 0.33333333333333 24.305 > 5 37 Mg 0.00000000000000 0.28847954242144 0.83333333333333 24.305 > 5 38 Mg 0.50000000000000 0.28847954242144 0.83333333333333 24.305 > 5 39 Mg 0.00000000000000 0.78847954242144 0.83333333333333 24.305 > 5 40 Mg 0.50000000000000 0.78847954242144 0.83333333333333 24.305 > 5 41 Mg 0.28847954242144 0.00000000000000 0.16666666666667 24.305 > 6 42 Mg 0.78847954242144 0.00000000000000 0.16666666666667 24.305 > 6 43 Mg 0.28847954242144 0.50000000000000 0.16666666666667 24.305 > 6 44 Mg 0.78847954242144 0.50000000000000 0.16666666666667 24.305 > 6 45 Mg 0.28847954242144 0.00000000000000 0.66666666666667 24.305 > 6 46 Mg 0.78847954242144 0.00000000000000 0.66666666666667 24.305 > 6 47 Mg 0.28847954242144 0.50000000000000 0.66666666666667 24.305 > 6 48 Mg 0.78847954242144 0.50000000000000 0.66666666666667 24.305 > 6 *49 O 0.21389881442498 0.06409360093867 0.06291733218172 15.999 > 7 50 O 0.71389881442498 0.06409360093867 0.06291733218172 15.999 > 7 51 O 0.21389881442498 0.56409360093867 0.06291733218172 15.999 > 7 52 O 0.71389881442498 0.56409360093867 0.06291733218172 15.999 > 7 53 O 0.21389881442498 0.06409360093867 0.56291733218172 15.999 > 7 54 O 0.71389881442498 0.06409360093867 0.56291733218172 15.999 > 7 55 O 0.21389881442498 0.56409360093867 0.56291733218172 15.999 > 7 56 O 0.71389881442498 0.56409360093867 0.56291733218172 15.999 > 7 57 O 0.35019478651369 0.28610118557502 0.39625066551505 15.999 > 8 58 O 0.85019478651369 0.28610118557502 0.39625066551505 15.999 > 8 59 O 0.35019478651369 0.78610118557502 0.39625066551505 15.999 > 8 60 O 0.85019478651369 0.78610118557502 0.39625066551505 15.999 > 8 61 O 0.35019478651369 0.28610118557502 0.89625066551505 15.999 > 8 62 O 0.85019478651369 0.28610118557502 0.89625066551505 15.999 > 8 63 O 0.35019478651369 0.78610118557502 0.89625066551505 15.999 > 8 64 O 0.85019478651369 0.78610118557502 0.89625066551505 15.999 > 8 65 O 0.43590639906133 0.14980521348631 0.22958399884839 15.999 > 9 66 O 0.93590639906133 0.14980521348631 0.22958399884839 15.999 > 9 67 O 0.43590639906133 0.64980521348631 0.22958399884839 15.999 > 9 68 O 0.93590639906133 0.64980521348631 0.22958399884839 15.999 > 9 69 O 0.43590639906133 0.14980521348631 0.72958399884839 15.999 > 9 70 O 0.93590639906133 0.14980521348631 0.72958399884839 15.999 > 9 71 O 0.43590639906133 0.64980521348631 0.72958399884839 15.999 > 9 72 O 0.93590639906133 0.64980521348631 0.72958399884839 15.999 > 9 73 O 0.14980521348631 0.43590639906133 0.27041600115161 15.999 > 10 74 O 0.64980521348631 0.43590639906133 0.27041600115161 15.999 > 10 75 O 0.14980521348631 0.93590639906133 0.27041600115161 15.999 > 10 76 O 0.64980521348631 0.93590639906133 0.27041600115161 15.999 > 10 77 O 0.14980521348631 0.43590639906133 0.77041600115161 15.999 > 10 78 O 0.64980521348631 0.43590639906133 0.77041600115161 15.999 > 10 79 O 0.14980521348631 0.93590639906133 0.77041600115161 15.999 > 10 80 O 0.64980521348631 0.93590639906133 0.77041600115161 15.999 > 10 81 O 0.06409360093867 0.21389881442498 0.43708266781828 15.999 > 11 82 O 0.56409360093867 0.21389881442498 0.43708266781828 15.999 > 11 83 O 0.06409360093867 0.71389881442498 0.43708266781828 15.999 > 11 84 O 0.56409360093867 0.71389881442498 0.43708266781828 15.999 > 11 85 O 0.06409360093867 0.21389881442498 0.93708266781828 15.999 > 11 86 O 0.56409360093867 0.21389881442498 0.93708266781828 15.999 > 11 87 O 0.06409360093867 0.71389881442498 0.93708266781828 15.999 > 11 88 O 0.56409360093867 0.71389881442498 0.93708266781828 15.999 > 11 89 O 0.28610118557502 0.35019478651369 0.10374933448495 15.999 > 12 90 O 0.78610118557502 0.35019478651369 0.10374933448495 15.999 > 12 91 O 0.28610118557502 0.85019478651369 0.10374933448495 15.999 > 12 92 O 0.78610118557502 0.85019478651369 0.10374933448495 15.999 > 12 93 O 0.28610118557502 0.35019478651369 0.60374933448495 15.999 > 12 94 O 0.78610118557502 0.35019478651369 0.60374933448495 15.999 > 12 95 O 0.28610118557502 0.85019478651369 0.60374933448495 15.999 > 12 96 O 0.78610118557502 0.85019478651369 0.60374933448495 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6984106 -0.0000000 0.0000000 0.0000000 3.6984106 0.0000000 0.0000000 0.0000000 3.8008330 -------------------------- Born effective charges -------------------------- 1 Ba 2.6990879 -0.2532471 -0.0584845 -0.2532471 2.4066634 0.0337661 0.0253973 -0.0146631 2.5535511 2 Ba 2.6990879 0.2532471 0.0584845 0.2532471 2.4066634 0.0337661 -0.0253973 -0.0146631 2.5535511 3 Ba 2.2604511 -0.0000000 0.0000000 0.0000000 2.8453002 -0.0675321 0.0000000 0.0293263 2.5535511 4 Mg 1.7794758 -0.1148596 0.1631338 -0.1148596 1.6468473 -0.0941854 0.0435097 -0.0251204 1.8090356 5 Mg 1.7794758 0.1148596 -0.1631338 0.1148596 1.6468473 -0.0941854 -0.0435097 -0.0251204 1.8090356 6 Mg 1.5805331 -0.0000000 -0.0000000 -0.0000000 1.8457900 0.1883707 0.0000000 0.0502407 1.8090356 7 O -1.9112922 0.0020539 0.1583463 0.0051522 -2.3547450 -0.0132394 0.2438918 0.0307844 -2.1812933 8 O -2.2470022 0.1886700 -0.0906388 0.1917683 -2.0190351 -0.1305122 -0.0952859 -0.2266087 -2.1812933 9 O -2.2407615 -0.1953714 -0.0677075 -0.1922731 -2.0252757 0.1437516 -0.1486059 0.1958243 -2.1812933 10 O -1.9112922 -0.0020539 -0.1583463 -0.0051522 -2.3547450 -0.0132394 -0.2438918 0.0307844 -2.1812933 11 O -2.2470022 -0.1886700 0.0906388 -0.1917683 -2.0190351 -0.1305122 0.0952859 -0.2266087 -2.1812933 12 O -2.2407615 0.1953714 0.0677075 0.1922731 -2.0252757 0.1437516 0.1486059 0.1958243 -2.1812933 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 926 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (926, 907), data: False |-- (118, 115), data: True |-- (384, 376), data: True |-- (424, 416), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.809 Solver_block: 200 / 240 - Time: 0.820 Solver_block: 240 / 240 - Time: 0.381 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.028 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 5544/5544 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 926 Number of blocks in projector: 432 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 118 Use standard eigh solver. Tree of FC basis block matrices: - (926, 907), data: False |-- (118, 115), data: True |-- (384, 376), data: True |-- (424, 416), 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 2026-01-08 23:49:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:00]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.900022167835742 0.000000000000000 0.000000000000000 b -2.950011083917871 5.109569080237087 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751560340000000 Atomic positions (fractional): 1 Ba 0.34611587605901 0.34611587605901 0.50000000000000 137.327 2 Ba 0.00000000000000 0.65388412394099 0.16666666666667 137.327 3 Ba 0.65388412394099 0.00000000000000 0.83333333333333 137.327 4 Mg 0.42304091515712 0.42304091515712 0.00000000000000 24.305 5 Mg 0.00000000000000 0.57695908484288 0.66666666666667 24.305 6 Mg 0.57695908484288 0.00000000000000 0.33333333333333 24.305 7 O 0.42779762884996 0.12818720187733 0.12583466436344 15.999 8 O 0.70038957302737 0.57220237115004 0.79250133103010 15.999 9 O 0.87181279812267 0.29961042697263 0.45916799769677 15.999 10 O 0.29961042697263 0.87181279812267 0.54083200230323 15.999 11 O 0.12818720187733 0.42779762884996 0.87416533563656 15.999 12 O 0.57220237115004 0.70038957302737 0.20749866896990 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.800044335671483 0.000000000000000 0.000000000000000 b -5.900022167835742 10.219138160474174 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503120680000000 Atomic positions (fractional): 1 Ba 0.17305793802950 0.17305793802950 0.25000000000000 137.327 > 1 2 Ba 0.67305793802950 0.17305793802950 0.25000000000000 137.327 > 1 3 Ba 0.17305793802950 0.67305793802950 0.25000000000000 137.327 > 1 4 Ba 0.67305793802950 0.67305793802950 0.25000000000000 137.327 > 1 5 Ba 0.17305793802950 0.17305793802950 0.75000000000000 137.327 > 1 6 Ba 0.67305793802950 0.17305793802950 0.75000000000000 137.327 > 1 7 Ba 0.17305793802950 0.67305793802950 0.75000000000000 137.327 > 1 8 Ba 0.67305793802950 0.67305793802950 0.75000000000000 137.327 > 1 9 Ba 0.00000000000000 0.32694206197050 0.08333333333333 137.327 > 9 10 Ba 0.50000000000000 0.32694206197050 0.08333333333333 137.327 > 9 11 Ba 0.00000000000000 0.82694206197050 0.08333333333333 137.327 > 9 12 Ba 0.50000000000000 0.82694206197050 0.08333333333333 137.327 > 9 13 Ba 0.00000000000000 0.32694206197050 0.58333333333333 137.327 > 9 14 Ba 0.50000000000000 0.32694206197050 0.58333333333333 137.327 > 9 15 Ba 0.00000000000000 0.82694206197050 0.58333333333333 137.327 > 9 16 Ba 0.50000000000000 0.82694206197050 0.58333333333333 137.327 > 9 17 Ba 0.32694206197050 0.00000000000000 0.41666666666667 137.327 > 17 18 Ba 0.82694206197050 0.00000000000000 0.41666666666667 137.327 > 17 19 Ba 0.32694206197050 0.50000000000000 0.41666666666667 137.327 > 17 20 Ba 0.82694206197050 0.50000000000000 0.41666666666667 137.327 > 17 21 Ba 0.32694206197050 0.00000000000000 0.91666666666667 137.327 > 17 22 Ba 0.82694206197050 0.00000000000000 0.91666666666667 137.327 > 17 23 Ba 0.32694206197050 0.50000000000000 0.91666666666667 137.327 > 17 24 Ba 0.82694206197050 0.50000000000000 0.91666666666667 137.327 > 17 25 Mg 0.21152045757856 0.21152045757856 0.00000000000000 24.305 > 25 26 Mg 0.71152045757856 0.21152045757856 0.00000000000000 24.305 > 25 27 Mg 0.21152045757856 0.71152045757856 0.00000000000000 24.305 > 25 28 Mg 0.71152045757856 0.71152045757856 0.00000000000000 24.305 > 25 29 Mg 0.21152045757856 0.21152045757856 0.50000000000000 24.305 > 25 30 Mg 0.71152045757856 0.21152045757856 0.50000000000000 24.305 > 25 31 Mg 0.21152045757856 0.71152045757856 0.50000000000000 24.305 > 25 32 Mg 0.71152045757856 0.71152045757856 0.50000000000000 24.305 > 25 33 Mg 0.00000000000000 0.28847954242144 0.33333333333333 24.305 > 33 34 Mg 0.50000000000000 0.28847954242144 0.33333333333333 24.305 > 33 35 Mg 0.00000000000000 0.78847954242144 0.33333333333333 24.305 > 33 36 Mg 0.50000000000000 0.78847954242144 0.33333333333333 24.305 > 33 37 Mg 0.00000000000000 0.28847954242144 0.83333333333333 24.305 > 33 38 Mg 0.50000000000000 0.28847954242144 0.83333333333333 24.305 > 33 39 Mg 0.00000000000000 0.78847954242144 0.83333333333333 24.305 > 33 40 Mg 0.50000000000000 0.78847954242144 0.83333333333333 24.305 > 33 41 Mg 0.28847954242144 0.00000000000000 0.16666666666667 24.305 > 41 42 Mg 0.78847954242144 0.00000000000000 0.16666666666667 24.305 > 41 43 Mg 0.28847954242144 0.50000000000000 0.16666666666667 24.305 > 41 44 Mg 0.78847954242144 0.50000000000000 0.16666666666667 24.305 > 41 45 Mg 0.28847954242144 0.00000000000000 0.66666666666667 24.305 > 41 46 Mg 0.78847954242144 0.00000000000000 0.66666666666667 24.305 > 41 47 Mg 0.28847954242144 0.50000000000000 0.66666666666667 24.305 > 41 48 Mg 0.78847954242144 0.50000000000000 0.66666666666667 24.305 > 41 49 O 0.21389881442498 0.06409360093867 0.06291733218172 15.999 > 49 50 O 0.71389881442498 0.06409360093867 0.06291733218172 15.999 > 49 51 O 0.21389881442498 0.56409360093867 0.06291733218172 15.999 > 49 52 O 0.71389881442498 0.56409360093867 0.06291733218172 15.999 > 49 53 O 0.21389881442498 0.06409360093867 0.56291733218172 15.999 > 49 54 O 0.71389881442498 0.06409360093867 0.56291733218172 15.999 > 49 55 O 0.21389881442498 0.56409360093867 0.56291733218172 15.999 > 49 56 O 0.71389881442498 0.56409360093867 0.56291733218172 15.999 > 49 57 O 0.35019478651369 0.28610118557502 0.39625066551505 15.999 > 57 58 O 0.85019478651369 0.28610118557502 0.39625066551505 15.999 > 57 59 O 0.35019478651369 0.78610118557502 0.39625066551505 15.999 > 57 60 O 0.85019478651369 0.78610118557502 0.39625066551505 15.999 > 57 61 O 0.35019478651369 0.28610118557502 0.89625066551505 15.999 > 57 62 O 0.85019478651369 0.28610118557502 0.89625066551505 15.999 > 57 63 O 0.35019478651369 0.78610118557502 0.89625066551505 15.999 > 57 64 O 0.85019478651369 0.78610118557502 0.89625066551505 15.999 > 57 65 O 0.43590639906133 0.14980521348631 0.22958399884839 15.999 > 65 66 O 0.93590639906133 0.14980521348631 0.22958399884839 15.999 > 65 67 O 0.43590639906133 0.64980521348631 0.22958399884839 15.999 > 65 68 O 0.93590639906133 0.64980521348631 0.22958399884839 15.999 > 65 69 O 0.43590639906133 0.14980521348631 0.72958399884839 15.999 > 65 70 O 0.93590639906133 0.14980521348631 0.72958399884839 15.999 > 65 71 O 0.43590639906133 0.64980521348631 0.72958399884839 15.999 > 65 72 O 0.93590639906133 0.64980521348631 0.72958399884839 15.999 > 65 73 O 0.14980521348631 0.43590639906133 0.27041600115161 15.999 > 73 74 O 0.64980521348631 0.43590639906133 0.27041600115161 15.999 > 73 75 O 0.14980521348631 0.93590639906133 0.27041600115161 15.999 > 73 76 O 0.64980521348631 0.93590639906133 0.27041600115161 15.999 > 73 77 O 0.14980521348631 0.43590639906133 0.77041600115161 15.999 > 73 78 O 0.64980521348631 0.43590639906133 0.77041600115161 15.999 > 73 79 O 0.14980521348631 0.93590639906133 0.77041600115161 15.999 > 73 80 O 0.64980521348631 0.93590639906133 0.77041600115161 15.999 > 73 81 O 0.06409360093867 0.21389881442498 0.43708266781828 15.999 > 81 82 O 0.56409360093867 0.21389881442498 0.43708266781828 15.999 > 81 83 O 0.06409360093867 0.71389881442498 0.43708266781828 15.999 > 81 84 O 0.56409360093867 0.71389881442498 0.43708266781828 15.999 > 81 85 O 0.06409360093867 0.21389881442498 0.93708266781828 15.999 > 81 86 O 0.56409360093867 0.21389881442498 0.93708266781828 15.999 > 81 87 O 0.06409360093867 0.71389881442498 0.93708266781828 15.999 > 81 88 O 0.56409360093867 0.71389881442498 0.93708266781828 15.999 > 81 89 O 0.28610118557502 0.35019478651369 0.10374933448495 15.999 > 89 90 O 0.78610118557502 0.35019478651369 0.10374933448495 15.999 > 89 91 O 0.28610118557502 0.85019478651369 0.10374933448495 15.999 > 89 92 O 0.78610118557502 0.85019478651369 0.10374933448495 15.999 > 89 93 O 0.28610118557502 0.35019478651369 0.60374933448495 15.999 > 89 94 O 0.78610118557502 0.35019478651369 0.60374933448495 15.999 > 89 95 O 0.28610118557502 0.85019478651369 0.60374933448495 15.999 > 89 96 O 0.78610118557502 0.85019478651369 0.60374933448495 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6984106 -0.0000000 0.0000000 0.0000000 3.6984106 0.0000000 0.0000000 0.0000000 3.8008330 -------------------------- Born effective charges -------------------------- 1 Ba 2.6990879 -0.2532471 -0.0584845 -0.2532471 2.4066634 0.0337661 0.0253973 -0.0146631 2.5535511 2 Ba 2.6990879 0.2532471 0.0584845 0.2532471 2.4066634 0.0337661 -0.0253973 -0.0146631 2.5535511 3 Ba 2.2604511 -0.0000000 0.0000000 0.0000000 2.8453002 -0.0675321 0.0000000 0.0293263 2.5535511 4 Mg 1.7794758 -0.1148596 0.1631338 -0.1148596 1.6468473 -0.0941854 0.0435097 -0.0251204 1.8090356 5 Mg 1.7794758 0.1148596 -0.1631338 0.1148596 1.6468473 -0.0941854 -0.0435097 -0.0251204 1.8090356 6 Mg 1.5805331 -0.0000000 -0.0000000 -0.0000000 1.8457900 0.1883707 0.0000000 0.0502407 1.8090356 7 O -1.9112922 0.0020539 0.1583463 0.0051522 -2.3547450 -0.0132394 0.2438918 0.0307844 -2.1812933 8 O -2.2470022 0.1886700 -0.0906388 0.1917683 -2.0190351 -0.1305122 -0.0952859 -0.2266087 -2.1812933 9 O -2.2407615 -0.1953714 -0.0677075 -0.1922731 -2.0252757 0.1437516 -0.1486059 0.1958243 -2.1812933 10 O -1.9112922 -0.0020539 -0.1583463 -0.0051522 -2.3547450 -0.0132394 -0.2438918 0.0307844 -2.1812933 11 O -2.2470022 -0.1886700 0.0906388 -0.1917683 -2.0190351 -0.1305122 0.0952859 -0.2266087 -2.1812933 12 O -2.2407615 0.1953714 0.0677075 0.1922731 -2.0252757 0.1437516 0.1486059 0.1958243 -2.1812933 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000005 (zy) 0.00000005 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:50:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:50:09]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P3_121 (152) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.900022167835742 0.000000000000000 0.000000000000000 b -2.950011083917871 5.109569080237087 0.000000000000000 c 0.000000000000000 0.000000000000000 6.751560340000000 Atomic positions (fractional): 1 Ba 0.34611587605901 0.34611587605901 0.50000000000000 137.327 2 Ba 0.00000000000000 0.65388412394099 0.16666666666667 137.327 3 Ba 0.65388412394099 0.00000000000000 0.83333333333333 137.327 4 Mg 0.42304091515712 0.42304091515712 0.00000000000000 24.305 5 Mg 0.00000000000000 0.57695908484288 0.66666666666667 24.305 6 Mg 0.57695908484288 0.00000000000000 0.33333333333333 24.305 7 O 0.42779762884996 0.12818720187733 0.12583466436344 15.999 8 O 0.70038957302737 0.57220237115004 0.79250133103010 15.999 9 O 0.87181279812267 0.29961042697263 0.45916799769677 15.999 10 O 0.29961042697263 0.87181279812267 0.54083200230323 15.999 11 O 0.12818720187733 0.42779762884996 0.87416533563656 15.999 12 O 0.57220237115004 0.70038957302737 0.20749866896990 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.800044335671483 0.000000000000000 0.000000000000000 b -5.900022167835742 10.219138160474174 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503120680000000 Atomic positions (fractional): 1 Ba 0.17305793802950 0.17305793802950 0.25000000000000 137.327 > 1 2 Ba 0.67305793802950 0.17305793802950 0.25000000000000 137.327 > 1 3 Ba 0.17305793802950 0.67305793802950 0.25000000000000 137.327 > 1 4 Ba 0.67305793802950 0.67305793802950 0.25000000000000 137.327 > 1 5 Ba 0.17305793802950 0.17305793802950 0.75000000000000 137.327 > 1 6 Ba 0.67305793802950 0.17305793802950 0.75000000000000 137.327 > 1 7 Ba 0.17305793802950 0.67305793802950 0.75000000000000 137.327 > 1 8 Ba 0.67305793802950 0.67305793802950 0.75000000000000 137.327 > 1 9 Ba 0.00000000000000 0.32694206197050 0.08333333333333 137.327 > 9 10 Ba 0.50000000000000 0.32694206197050 0.08333333333333 137.327 > 9 11 Ba 0.00000000000000 0.82694206197050 0.08333333333333 137.327 > 9 12 Ba 0.50000000000000 0.82694206197050 0.08333333333333 137.327 > 9 13 Ba 0.00000000000000 0.32694206197050 0.58333333333333 137.327 > 9 14 Ba 0.50000000000000 0.32694206197050 0.58333333333333 137.327 > 9 15 Ba 0.00000000000000 0.82694206197050 0.58333333333333 137.327 > 9 16 Ba 0.50000000000000 0.82694206197050 0.58333333333333 137.327 > 9 17 Ba 0.32694206197050 0.00000000000000 0.41666666666667 137.327 > 17 18 Ba 0.82694206197050 0.00000000000000 0.41666666666667 137.327 > 17 19 Ba 0.32694206197050 0.50000000000000 0.41666666666667 137.327 > 17 20 Ba 0.82694206197050 0.50000000000000 0.41666666666667 137.327 > 17 21 Ba 0.32694206197050 0.00000000000000 0.91666666666667 137.327 > 17 22 Ba 0.82694206197050 0.00000000000000 0.91666666666667 137.327 > 17 23 Ba 0.32694206197050 0.50000000000000 0.91666666666667 137.327 > 17 24 Ba 0.82694206197050 0.50000000000000 0.91666666666667 137.327 > 17 25 Mg 0.21152045757856 0.21152045757856 0.00000000000000 24.305 > 25 26 Mg 0.71152045757856 0.21152045757856 0.00000000000000 24.305 > 25 27 Mg 0.21152045757856 0.71152045757856 0.00000000000000 24.305 > 25 28 Mg 0.71152045757856 0.71152045757856 0.00000000000000 24.305 > 25 29 Mg 0.21152045757856 0.21152045757856 0.50000000000000 24.305 > 25 30 Mg 0.71152045757856 0.21152045757856 0.50000000000000 24.305 > 25 31 Mg 0.21152045757856 0.71152045757856 0.50000000000000 24.305 > 25 32 Mg 0.71152045757856 0.71152045757856 0.50000000000000 24.305 > 25 33 Mg 0.00000000000000 0.28847954242144 0.33333333333333 24.305 > 33 34 Mg 0.50000000000000 0.28847954242144 0.33333333333333 24.305 > 33 35 Mg 0.00000000000000 0.78847954242144 0.33333333333333 24.305 > 33 36 Mg 0.50000000000000 0.78847954242144 0.33333333333333 24.305 > 33 37 Mg 0.00000000000000 0.28847954242144 0.83333333333333 24.305 > 33 38 Mg 0.50000000000000 0.28847954242144 0.83333333333333 24.305 > 33 39 Mg 0.00000000000000 0.78847954242144 0.83333333333333 24.305 > 33 40 Mg 0.50000000000000 0.78847954242144 0.83333333333333 24.305 > 33 41 Mg 0.28847954242144 0.00000000000000 0.16666666666667 24.305 > 41 42 Mg 0.78847954242144 0.00000000000000 0.16666666666667 24.305 > 41 43 Mg 0.28847954242144 0.50000000000000 0.16666666666667 24.305 > 41 44 Mg 0.78847954242144 0.50000000000000 0.16666666666667 24.305 > 41 45 Mg 0.28847954242144 0.00000000000000 0.66666666666667 24.305 > 41 46 Mg 0.78847954242144 0.00000000000000 0.66666666666667 24.305 > 41 47 Mg 0.28847954242144 0.50000000000000 0.66666666666667 24.305 > 41 48 Mg 0.78847954242144 0.50000000000000 0.66666666666667 24.305 > 41 49 O 0.21389881442498 0.06409360093867 0.06291733218172 15.999 > 49 50 O 0.71389881442498 0.06409360093867 0.06291733218172 15.999 > 49 51 O 0.21389881442498 0.56409360093867 0.06291733218172 15.999 > 49 52 O 0.71389881442498 0.56409360093867 0.06291733218172 15.999 > 49 53 O 0.21389881442498 0.06409360093867 0.56291733218172 15.999 > 49 54 O 0.71389881442498 0.06409360093867 0.56291733218172 15.999 > 49 55 O 0.21389881442498 0.56409360093867 0.56291733218172 15.999 > 49 56 O 0.71389881442498 0.56409360093867 0.56291733218172 15.999 > 49 57 O 0.35019478651369 0.28610118557502 0.39625066551505 15.999 > 57 58 O 0.85019478651369 0.28610118557502 0.39625066551505 15.999 > 57 59 O 0.35019478651369 0.78610118557502 0.39625066551505 15.999 > 57 60 O 0.85019478651369 0.78610118557502 0.39625066551505 15.999 > 57 61 O 0.35019478651369 0.28610118557502 0.89625066551505 15.999 > 57 62 O 0.85019478651369 0.28610118557502 0.89625066551505 15.999 > 57 63 O 0.35019478651369 0.78610118557502 0.89625066551505 15.999 > 57 64 O 0.85019478651369 0.78610118557502 0.89625066551505 15.999 > 57 65 O 0.43590639906133 0.14980521348631 0.22958399884839 15.999 > 65 66 O 0.93590639906133 0.14980521348631 0.22958399884839 15.999 > 65 67 O 0.43590639906133 0.64980521348631 0.22958399884839 15.999 > 65 68 O 0.93590639906133 0.64980521348631 0.22958399884839 15.999 > 65 69 O 0.43590639906133 0.14980521348631 0.72958399884839 15.999 > 65 70 O 0.93590639906133 0.14980521348631 0.72958399884839 15.999 > 65 71 O 0.43590639906133 0.64980521348631 0.72958399884839 15.999 > 65 72 O 0.93590639906133 0.64980521348631 0.72958399884839 15.999 > 65 73 O 0.14980521348631 0.43590639906133 0.27041600115161 15.999 > 73 74 O 0.64980521348631 0.43590639906133 0.27041600115161 15.999 > 73 75 O 0.14980521348631 0.93590639906133 0.27041600115161 15.999 > 73 76 O 0.64980521348631 0.93590639906133 0.27041600115161 15.999 > 73 77 O 0.14980521348631 0.43590639906133 0.77041600115161 15.999 > 73 78 O 0.64980521348631 0.43590639906133 0.77041600115161 15.999 > 73 79 O 0.14980521348631 0.93590639906133 0.77041600115161 15.999 > 73 80 O 0.64980521348631 0.93590639906133 0.77041600115161 15.999 > 73 81 O 0.06409360093867 0.21389881442498 0.43708266781828 15.999 > 81 82 O 0.56409360093867 0.21389881442498 0.43708266781828 15.999 > 81 83 O 0.06409360093867 0.71389881442498 0.43708266781828 15.999 > 81 84 O 0.56409360093867 0.71389881442498 0.43708266781828 15.999 > 81 85 O 0.06409360093867 0.21389881442498 0.93708266781828 15.999 > 81 86 O 0.56409360093867 0.21389881442498 0.93708266781828 15.999 > 81 87 O 0.06409360093867 0.71389881442498 0.93708266781828 15.999 > 81 88 O 0.56409360093867 0.71389881442498 0.93708266781828 15.999 > 81 89 O 0.28610118557502 0.35019478651369 0.10374933448495 15.999 > 89 90 O 0.78610118557502 0.35019478651369 0.10374933448495 15.999 > 89 91 O 0.28610118557502 0.85019478651369 0.10374933448495 15.999 > 89 92 O 0.78610118557502 0.85019478651369 0.10374933448495 15.999 > 89 93 O 0.28610118557502 0.35019478651369 0.60374933448495 15.999 > 89 94 O 0.78610118557502 0.35019478651369 0.60374933448495 15.999 > 89 95 O 0.28610118557502 0.85019478651369 0.60374933448495 15.999 > 89 96 O 0.78610118557502 0.85019478651369 0.60374933448495 15.999 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6984106 -0.0000000 0.0000000 0.0000000 3.6984106 0.0000000 0.0000000 0.0000000 3.8008330 -------------------------- Born effective charges -------------------------- 1 Ba 2.6990879 -0.2532471 -0.0584845 -0.2532471 2.4066634 0.0337661 0.0253973 -0.0146631 2.5535511 2 Ba 2.6990879 0.2532471 0.0584845 0.2532471 2.4066634 0.0337661 -0.0253973 -0.0146631 2.5535511 3 Ba 2.2604511 -0.0000000 0.0000000 0.0000000 2.8453002 -0.0675321 0.0000000 0.0293263 2.5535511 4 Mg 1.7794758 -0.1148596 0.1631338 -0.1148596 1.6468473 -0.0941854 0.0435097 -0.0251204 1.8090356 5 Mg 1.7794758 0.1148596 -0.1631338 0.1148596 1.6468473 -0.0941854 -0.0435097 -0.0251204 1.8090356 6 Mg 1.5805331 -0.0000000 -0.0000000 -0.0000000 1.8457900 0.1883707 0.0000000 0.0502407 1.8090356 7 O -1.9112922 0.0020539 0.1583463 0.0051522 -2.3547450 -0.0132394 0.2438918 0.0307844 -2.1812933 8 O -2.2470022 0.1886700 -0.0906388 0.1917683 -2.0190351 -0.1305122 -0.0952859 -0.2266087 -2.1812933 9 O -2.2407615 -0.1953714 -0.0677075 -0.1922731 -2.0252757 0.1437516 -0.1486059 0.1958243 -2.1812933 10 O -1.9112922 -0.0020539 -0.1583463 -0.0051522 -2.3547450 -0.0132394 -0.2438918 0.0307844 -2.1812933 11 O -2.2470022 -0.1886700 0.0906388 -0.1917683 -2.0190351 -0.1305122 0.0952859 -0.2266087 -2.1812933 12 O -2.2407615 0.1953714 0.0677075 0.1922731 -2.0252757 0.1437516 0.1486059 0.1958243 -2.1812933 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000013 (xxx) -0.00000013 (xxx) -0.00000013 (xxx) 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 7 ] 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: 0.71, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 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 2.444 ( 0.000 0.000 -0.000) 0.000 2.444 ( 0.000 -0.000 -0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 -0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 -0.000) 0.000 5.133 ( 0.000 0.000 -0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 -0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 0.000 0.000) 0.000 8.150 ( 0.000 -0.000 0.000) 0.000 8.215 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 -0.000 0.000) 0.000 10.132 ( 0.000 -0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 -0.000) 0.000 11.916 ( 0.000 0.000 -0.000) 0.000 11.994 ( 0.000 0.000 0.000) 0.000 12.377 ( 0.000 -0.000 0.000) 0.000 12.377 ( 0.000 0.000 0.000) 0.000 17.004 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 17.131 ( 0.000 0.000 0.000) 0.000 18.162 ( 0.000 0.000 0.000) 0.000 18.822 ( 0.000 0.000 -0.000) 0.000 18.822 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 25.197 14.547 -1.508) 29.134 0.597 ( 24.937 14.397 -0.521) 28.799 1.018 ( 43.307 25.003 1.228) 50.021 2.432 ( -2.620 -1.512 0.931) 3.165 2.440 ( -0.272 -0.157 -0.844) 0.901 2.903 ( -4.401 -2.541 -0.251) 5.088 3.105 ( -4.194 -2.422 1.418) 5.046 3.161 ( -0.670 -0.387 -2.869) 2.971 3.277 ( -3.742 -2.160 1.420) 4.548 5.068 ( 1.174 0.678 1.202) 1.812 5.137 ( 0.042 0.024 0.180) 0.187 5.747 ( -7.215 -4.165 5.529) 9.999 5.842 ( 1.013 0.585 -1.910) 2.240 6.213 ( -11.866 -6.851 -6.980) 15.377 6.658 ( -4.240 -2.448 -2.939) 5.711 6.777 ( -8.681 -5.012 4.788) 11.109 6.981 ( 13.845 7.993 -1.182) 16.030 7.317 ( 5.195 2.999 2.709) 6.582 8.032 ( -10.228 -5.905 -5.074) 12.854 8.227 ( 4.989 2.881 4.615) 7.382 8.691 ( 11.418 6.592 -2.188) 13.365 8.788 ( 10.711 6.184 -1.840) 12.504 9.973 ( -8.671 -5.006 0.819) 10.045 10.328 ( 8.366 4.830 4.606) 10.702 11.087 ( -8.407 -4.854 11.256) 14.864 11.611 ( -14.013 -8.090 -18.227) 24.373 11.918 ( -0.587 -0.339 -8.179) 8.207 12.231 ( 9.521 5.497 8.359) 13.810 12.507 ( 9.028 5.213 5.302) 11.696 13.039 ( 2.642 1.525 0.530) 3.096 17.022 ( 1.336 0.771 0.163) 1.551 17.156 ( 2.358 1.361 -0.727) 2.818 18.074 ( 1.289 0.744 3.036) 3.381 18.141 ( -1.786 -1.031 -4.146) 4.631 18.818 ( -0.300 -0.173 -1.312) 1.356 19.693 ( -3.314 -1.913 1.907) 4.276 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 21.616 12.480 -1.764) 25.022 1.127 ( 21.668 12.510 0.264) 25.022 1.907 ( 33.750 19.486 -0.520) 38.975 2.350 ( -4.983 -2.877 1.526) 5.953 2.435 ( -0.044 -0.026 -2.022) 2.022 2.767 ( -6.439 -3.717 -0.896) 7.489 2.968 ( -7.209 -4.162 -1.861) 8.530 3.086 ( -5.040 -2.910 0.645) 5.856 3.239 ( -0.276 -0.159 2.602) 2.622 5.109 ( -0.540 -0.311 4.246) 4.291 5.123 ( 1.267 0.732 -1.124) 1.845 5.550 ( -8.043 -4.644 2.415) 9.596 5.852 ( -0.744 -0.429 -4.545) 4.625 6.026 ( -5.626 -3.248 -8.685) 10.846 6.515 ( -10.051 -5.803 7.167) 13.640 6.645 ( 2.388 1.379 2.620) 3.804 7.219 ( 3.991 2.304 -2.550) 5.267 7.404 ( 1.835 1.059 8.208) 8.477 7.862 ( -2.620 -1.513 -12.496) 12.857 8.361 ( 7.166 4.137 5.988) 10.215 8.958 ( 11.764 6.792 -0.127) 13.584 9.075 ( 12.896 7.445 -6.731) 16.341 9.733 ( -12.832 -7.409 0.256) 14.820 10.502 ( 3.468 2.002 16.370) 16.853 10.814 ( -11.395 -6.579 5.245) 14.165 11.366 ( -7.514 -4.338 -17.016) 19.100 11.966 ( 4.675 2.699 -7.997) 9.648 12.402 ( 5.766 3.329 1.823) 6.903 12.698 ( 7.093 4.095 3.749) 9.008 13.121 ( 4.233 2.444 5.641) 7.464 17.052 ( 1.175 0.679 0.546) 1.463 17.244 ( 5.391 3.113 -1.717) 6.458 18.080 ( -2.794 -1.613 11.031) 11.493 18.118 ( 1.788 1.033 -12.981) 13.144 18.814 ( 0.053 0.030 -2.434) 2.435 19.585 ( -6.097 -3.520 3.607) 7.911 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 14.921 8.615 -0.124) 17.230 1.565 ( 16.856 9.732 1.689) 19.537 2.161 ( -10.555 -6.094 -0.561) 12.201 2.415 ( 5.341 3.084 -2.142) 6.529 2.473 ( 5.791 3.344 -8.819) 11.068 2.719 ( 2.003 1.157 3.432) 4.139 2.834 ( -1.914 -1.105 -4.235) 4.777 2.980 ( -3.116 -1.799 5.160) 6.291 3.222 ( -1.570 -0.907 2.720) 3.269 5.024 ( -4.550 -2.627 0.410) 5.270 5.212 ( 4.903 2.831 6.471) 8.598 5.452 ( -0.685 -0.395 -6.645) 6.692 5.812 ( -1.973 -1.139 -1.980) 3.018 5.923 ( -3.844 -2.219 -7.719) 8.904 6.314 ( -7.398 -4.271 7.850) 11.602 6.841 ( 14.564 8.408 6.232) 17.935 7.087 ( -12.781 -7.379 -0.371) 14.763 7.467 ( 3.671 2.120 4.411) 6.118 7.908 ( 4.277 2.470 -9.029) 10.292 8.566 ( 11.038 6.373 1.571) 12.842 9.181 ( 5.045 2.913 0.007) 5.826 9.257 ( -3.441 -1.987 -8.864) 9.713 9.468 ( -1.997 -1.153 2.021) 3.067 10.224 ( -20.628 -11.910 12.468) 26.885 10.873 ( 9.727 5.616 6.921) 13.193 11.258 ( -2.342 -1.352 -12.320) 12.614 12.101 ( 6.521 3.765 -6.344) 9.846 12.491 ( 2.047 1.182 -1.683) 2.901 12.829 ( 4.875 2.814 -1.782) 5.904 13.207 ( 2.936 1.695 11.499) 11.989 17.075 ( 0.946 0.546 0.509) 1.205 17.385 ( 6.645 3.836 -1.941) 7.915 18.005 ( -3.506 -2.024 2.270) 4.641 18.163 ( 1.953 1.128 -4.444) 4.984 18.830 ( 1.535 0.886 -3.441) 3.870 19.425 ( -7.817 -4.513 4.874) 10.258 ======================= Grid point 4 (5/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.480 -0.277 4.620) 4.653 1.861 ( 8.032 4.637 -0.667) 9.298 2.016 ( 3.156 1.822 -1.896) 4.108 2.455 ( -0.630 -0.364 -4.103) 4.167 2.478 ( -3.943 -2.277 -6.430) 7.879 2.728 ( 2.512 1.450 -0.326) 2.919 2.831 ( -1.767 -1.020 4.252) 4.716 3.027 ( 4.141 2.391 -1.650) 5.058 3.168 ( -2.888 -1.667 3.645) 4.940 4.942 ( -2.473 -1.428 -0.004) 2.855 5.335 ( 5.702 3.292 10.441) 12.344 5.476 ( 1.587 0.916 -12.380) 12.515 5.795 ( 0.283 0.164 -0.108) 0.345 5.845 ( -3.098 -1.789 -5.628) 6.668 6.199 ( -1.765 -1.019 10.198) 10.400 6.764 ( -14.116 -8.150 -4.451) 16.897 7.253 ( 19.498 11.257 6.777) 23.513 7.551 ( 4.006 2.313 2.066) 5.066 7.992 ( 2.803 1.618 -3.012) 4.421 8.792 ( -10.212 -5.896 -13.088) 17.616 8.889 ( 2.560 1.478 6.152) 6.825 9.326 ( 1.966 1.135 1.997) 3.023 9.574 ( 4.011 2.316 -0.221) 4.636 9.772 ( -16.917 -9.767 3.139) 19.784 11.059 ( 5.157 2.977 8.402) 10.298 11.255 ( 1.954 1.128 -8.088) 8.397 12.234 ( 4.757 2.747 -3.667) 6.604 12.499 ( -0.939 -0.542 -2.139) 2.398 12.927 ( 3.696 2.134 -4.617) 6.288 13.244 ( 0.468 0.270 10.817) 10.831 17.093 ( 0.604 0.349 0.265) 0.746 17.524 ( 5.145 2.970 -1.265) 6.074 17.930 ( -2.923 -1.688 0.691) 3.446 18.199 ( 1.113 0.643 -2.134) 2.491 18.889 ( 3.686 2.128 -4.180) 5.965 19.245 ( -7.656 -4.420 5.178) 10.246 ======================= Grid point 5 (6/80) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 0.000 -0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 -0.000) 0.000 2.351 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 4.914 ( 0.000 0.000 -0.000) 0.000 5.423 ( 0.000 0.000 -0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.785 ( 0.000 0.000 -0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 -0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 -0.000) 0.000 7.670 ( 0.000 0.000 -0.000) 0.000 8.030 ( -0.000 -0.000 -0.000) 0.000 8.477 ( 0.000 0.000 -0.000) 0.000 9.175 ( 0.000 0.000 -0.000) 0.000 9.208 ( -0.000 -0.000 0.000) 0.000 9.526 ( 0.000 0.000 0.000) 0.000 9.661 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 -0.000) 0.000 12.294 ( 0.000 0.000 -0.000) 0.000 12.479 ( 0.000 0.000 -0.000) 0.000 12.975 ( 0.000 0.000 -0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 17.101 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 17.891 ( 0.000 0.000 0.000) 0.000 18.212 ( 0.000 0.000 -0.000) 0.000 18.959 ( 0.000 0.000 0.000) 0.000 19.129 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 12 (7/80) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 11.745 20.342 0.000) 23.489 0.986 ( 13.163 22.798 0.000) 26.325 1.751 ( 22.077 38.239 0.000) 44.154 2.382 ( -1.988 -3.443 0.000) 3.976 2.433 ( -0.324 -0.562 0.000) 0.649 2.817 ( -3.333 -5.773 0.000) 6.666 2.975 ( -5.449 -9.439 0.000) 10.899 3.175 ( 0.017 0.029 0.000) 0.033 3.207 ( -2.167 -3.754 0.000) 4.335 5.085 ( 0.559 0.969 0.000) 1.118 5.160 ( 1.158 2.006 0.000) 2.316 5.657 ( -6.212 -10.759 0.000) 12.423 5.737 ( -2.057 -3.563 0.000) 4.115 6.132 ( -0.281 -0.486 0.000) 0.561 6.580 ( -6.671 -11.554 0.000) 13.341 6.594 ( -1.919 -3.324 0.000) 3.838 7.189 ( 5.124 8.874 0.000) 10.247 7.402 ( 2.770 4.798 0.000) 5.541 7.936 ( -2.937 -5.087 0.000) 5.874 8.315 ( 3.728 6.457 0.000) 7.456 8.716 ( 3.128 5.418 0.000) 6.256 9.133 ( 11.068 19.170 0.000) 22.135 9.787 ( -7.630 -13.215 0.000) 15.260 10.488 ( 5.735 9.933 0.000) 11.470 10.976 ( -5.116 -8.861 0.000) 10.232 11.252 ( -10.069 -17.440 0.000) 20.139 12.151 ( 5.261 9.113 0.000) 10.522 12.194 ( 1.132 1.961 0.000) 2.264 12.696 ( 5.372 9.304 0.000) 10.743 13.085 ( 1.843 3.191 0.000) 3.685 17.062 ( 1.536 2.660 0.000) 3.072 17.193 ( 1.698 2.941 0.000) 3.396 18.101 ( -1.643 -2.846 0.000) 3.286 18.107 ( 1.451 2.514 0.000) 2.903 18.812 ( -0.187 -0.323 0.000) 0.373 19.619 ( -3.153 -5.462 0.000) 6.306 ======================= Grid point 13 (8/80) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 19.187 9.516 -0.404) 21.421 1.411 ( 13.873 15.561 0.142) 20.848 2.264 ( -6.032 -3.322 1.094) 6.973 2.360 ( 9.471 14.869 -0.867) 17.650 2.423 ( 1.512 -1.418 -3.668) 4.213 2.736 ( -1.436 2.605 1.294) 3.244 2.807 ( -0.844 -7.543 -1.762) 7.792 3.090 ( -7.128 1.377 1.242) 7.365 3.199 ( 1.984 -3.435 1.415) 4.212 5.086 ( -2.040 -0.051 -0.040) 2.041 5.211 ( 0.420 6.080 3.704) 7.132 5.447 ( -3.767 -6.853 -1.731) 8.009 5.710 ( 3.137 -6.861 -3.230) 8.207 6.103 ( -7.922 5.450 -5.896) 11.279 6.395 ( -6.116 -3.511 5.537) 8.966 6.622 ( 11.296 -3.206 4.065) 12.426 7.203 ( -6.800 -4.522 -1.281) 8.267 7.477 ( 0.984 4.740 3.914) 6.225 7.921 ( 0.557 7.078 -7.010) 9.978 8.451 ( 7.333 3.333 2.830) 8.537 8.898 ( 13.067 -0.463 -0.612) 13.090 9.421 ( -8.989 -0.083 -9.613) 13.161 9.523 ( 2.572 3.613 6.215) 7.635 10.555 ( -19.870 2.450 17.237) 26.419 10.781 ( 3.699 1.810 -4.364) 6.001 11.074 ( 7.621 -19.569 -8.841) 22.786 12.173 ( -3.507 11.433 -6.261) 13.499 12.404 ( 10.089 1.832 1.756) 10.403 12.823 ( 1.294 5.573 -0.558) 5.748 13.159 ( 3.656 1.619 5.801) 7.045 17.102 ( -0.719 4.012 0.626) 4.123 17.286 ( 6.529 1.458 -1.394) 6.834 18.034 ( -2.696 -3.005 1.625) 4.352 18.165 ( 1.492 3.754 -2.807) 4.919 18.813 ( 0.699 -0.013 -1.663) 1.804 19.485 ( -5.570 -6.567 2.427) 8.947 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 11.966 2.693 1.620) 12.372 1.750 ( 11.725 9.575 1.468) 15.209 2.039 ( -9.380 -6.458 -2.962) 11.767 2.400 ( 1.866 -7.135 -1.916) 7.620 2.485 ( -0.213 -1.012 -4.412) 4.531 2.703 ( 0.818 -0.786 0.469) 1.227 2.904 ( -1.684 5.909 0.275) 6.150 3.037 ( -0.040 6.592 1.094) 6.682 3.188 ( -0.198 -1.462 1.980) 2.469 5.021 ( -5.422 2.139 -0.476) 5.848 5.292 ( 3.211 4.215 11.819) 12.953 5.422 ( 3.495 -1.367 -12.501) 13.052 5.708 ( 3.647 -4.734 -0.340) 5.985 6.003 ( -8.526 5.036 -4.341) 10.812 6.282 ( -6.532 2.559 3.701) 7.932 6.854 ( 6.631 -8.441 10.440) 14.974 7.010 ( 2.424 2.053 -5.140) 6.042 7.541 ( 1.688 3.458 1.564) 4.154 8.016 ( -0.002 8.420 -2.409) 8.758 8.645 ( 13.777 -0.930 -2.007) 13.953 9.007 ( -15.743 -17.243 -3.710) 23.641 9.103 ( 10.105 -3.185 1.694) 10.729 9.757 ( -0.144 20.468 -1.728) 20.541 10.113 ( -26.977 -0.253 7.763) 28.073 10.945 ( 9.062 -2.403 2.052) 9.597 11.064 ( 10.169 -12.337 -4.025) 16.487 12.261 ( 1.258 9.315 -4.574) 10.453 12.528 ( 0.415 4.258 -2.346) 4.879 12.881 ( 2.661 1.214 -2.480) 3.835 13.220 ( 2.278 -0.080 9.432) 9.703 17.121 ( -1.392 3.809 0.509) 4.087 17.421 ( 7.764 0.013 -1.455) 7.900 17.958 ( -2.796 -2.689 0.685) 3.939 18.223 ( 0.161 4.753 -2.076) 5.189 18.845 ( 2.874 0.749 -2.985) 4.210 19.312 ( -6.657 -6.849 3.935) 10.330 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.604 -1.471 2.049) 3.625 1.921 ( 2.677 -0.137 -2.881) 3.936 2.036 ( 10.309 0.691 2.364) 10.599 2.301 ( -1.551 -10.929 -2.539) 11.326 2.470 ( 0.000 -0.611 -1.946) 2.040 2.747 ( 2.741 -0.037 0.068) 2.742 2.869 ( -4.186 3.798 1.559) 5.863 3.107 ( -0.373 4.740 -1.643) 5.031 3.168 ( -2.579 2.027 1.668) 3.680 4.971 ( -3.890 4.066 -0.207) 5.631 5.395 ( 5.192 0.441 11.846) 12.941 5.459 ( -0.198 0.736 -12.149) 12.173 5.736 ( 3.367 -3.123 -0.973) 4.694 5.930 ( -6.468 6.563 -0.873) 9.256 6.251 ( -1.440 5.024 3.176) 6.116 6.633 ( -9.628 -4.070 -0.840) 10.487 7.347 ( 17.669 0.425 3.573) 18.032 7.593 ( 3.151 -1.764 -1.702) 3.993 8.070 ( -1.655 5.446 2.032) 6.043 8.566 ( -12.923 -10.246 -5.003) 17.234 8.872 ( 15.667 -11.444 -1.249) 19.442 9.242 ( 3.744 5.508 2.903) 7.265 9.681 ( -17.062 -0.472 0.172) 17.070 9.917 ( -9.297 22.090 0.301) 23.968 10.996 ( 8.265 -13.290 -0.098) 15.651 11.153 ( 7.507 -5.772 0.576) 9.487 12.379 ( 0.613 10.126 -1.658) 10.279 12.507 ( -4.838 1.346 -1.744) 5.316 12.938 ( 3.231 -1.258 -1.898) 3.952 13.236 ( 0.552 -0.812 5.063) 5.157 17.131 ( -1.593 3.262 0.171) 3.634 17.525 ( 5.210 -2.629 -0.597) 5.866 17.898 ( -1.425 -1.411 0.180) 2.013 18.257 ( -1.759 4.905 -0.770) 5.267 18.922 ( 4.270 1.118 -3.044) 5.362 19.146 ( -4.613 -5.426 3.458) 7.917 ======================= Grid point 23 (11/80) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 6.453 11.177 0.000) 12.906 1.697 ( 7.674 13.291 0.000) 15.347 2.121 ( -6.298 -10.909 0.000) 12.596 2.318 ( -4.035 -6.990 0.000) 8.071 2.482 ( 0.483 0.837 0.000) 0.966 2.691 ( -0.514 -0.890 0.000) 1.028 2.950 ( 4.920 8.521 0.000) 9.840 3.113 ( -0.290 -0.502 0.000) 0.579 3.148 ( 0.970 1.681 0.000) 1.941 5.096 ( 0.252 0.436 0.000) 0.503 5.320 ( -1.986 -3.440 0.000) 3.972 5.349 ( 4.018 6.959 0.000) 8.036 5.641 ( -0.629 -1.090 0.000) 1.259 6.117 ( -1.724 -2.987 0.000) 3.449 6.463 ( 2.370 4.104 0.000) 4.739 6.568 ( 1.556 2.694 0.000) 3.111 7.070 ( -4.316 -7.476 0.000) 8.633 7.543 ( 1.176 2.037 0.000) 2.353 8.102 ( 5.517 9.556 0.000) 11.034 8.463 ( -0.353 -0.612 0.000) 0.707 9.001 ( 5.477 9.487 0.000) 10.955 9.057 ( -12.629 -21.874 0.000) 25.258 9.874 ( 10.200 17.667 0.000) 20.400 10.563 ( -6.485 -11.232 0.000) 12.970 10.620 ( -5.640 -9.768 0.000) 11.280 10.917 ( 2.502 4.334 0.000) 5.005 12.307 ( 2.533 4.387 0.000) 5.066 12.543 ( 5.459 9.456 0.000) 10.919 12.871 ( -0.247 -0.428 0.000) 0.494 13.192 ( 0.959 1.662 0.000) 1.919 17.178 ( 1.686 2.921 0.000) 3.373 17.324 ( 1.765 3.056 0.000) 3.529 17.969 ( -1.999 -3.463 0.000) 3.998 18.251 ( 2.665 4.616 0.000) 5.330 18.821 ( 0.623 1.080 0.000) 1.247 19.335 ( -4.889 -8.468 0.000) 9.778 ======================= Grid point 24 (12/80) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 4.209 1.893 1.396) 4.821 1.890 ( -5.016 -7.588 -5.144) 10.450 1.924 ( 5.921 5.450 3.880) 8.933 2.213 ( 0.288 -6.901 -0.572) 6.930 2.471 ( -1.320 -1.854 -1.094) 2.525 2.710 ( 1.608 0.523 0.239) 1.707 2.982 ( -3.495 3.066 0.577) 4.684 3.134 ( 1.713 2.306 0.331) 2.891 3.216 ( 0.264 3.350 -0.521) 3.401 5.088 ( -3.349 3.886 -0.837) 5.198 5.320 ( 3.101 0.325 4.792) 5.717 5.476 ( 2.252 4.640 -4.359) 6.753 5.655 ( 3.246 0.347 0.128) 3.267 6.058 ( -3.265 0.534 1.523) 3.642 6.392 ( -9.072 3.979 -8.021) 12.747 6.696 ( 2.128 -2.554 10.927) 11.422 7.065 ( 11.355 2.966 -2.558) 12.011 7.549 ( -0.602 -3.330 -1.308) 3.628 8.204 ( -5.924 8.966 4.457) 11.634 8.489 ( 10.603 -12.703 -5.594) 17.467 8.674 ( -9.084 -12.529 -0.038) 15.476 9.228 ( 8.068 12.884 1.107) 15.242 10.034 ( -18.344 4.803 -2.506) 19.127 10.260 ( -7.221 16.213 7.532) 19.280 10.607 ( 12.778 -22.505 -7.259) 26.878 11.003 ( 5.324 -2.170 3.157) 6.559 12.406 ( 3.321 5.743 -0.813) 6.683 12.659 ( -3.968 7.755 -3.426) 9.361 12.856 ( 2.970 -3.523 1.042) 4.725 13.215 ( 0.865 -0.304 2.892) 3.034 17.208 ( -2.068 4.603 0.351) 5.058 17.400 ( 5.426 -1.716 -0.613) 5.724 17.907 ( -1.687 -2.343 0.082) 2.889 18.331 ( 0.357 5.672 -0.441) 5.701 18.864 ( 3.148 1.390 -1.471) 3.743 19.166 ( -5.178 -7.820 1.719) 9.535 ======================= Grid point 25 (13/80) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( -0.503 0.871 -0.000) 1.005 1.829 ( 4.414 -7.645 0.000) 8.827 2.009 ( 2.224 -3.851 -0.000) 4.447 2.195 ( -0.718 1.244 0.000) 1.437 2.433 ( 1.686 -2.920 -0.000) 3.371 2.729 ( 0.740 -1.281 -0.000) 1.480 2.965 ( -3.228 5.591 -0.000) 6.456 3.181 ( -1.130 1.957 -0.000) 2.259 3.211 ( -1.011 1.750 0.000) 2.021 5.076 ( -3.249 5.627 0.000) 6.498 5.363 ( 0.569 -0.986 0.000) 1.138 5.504 ( -0.095 0.165 0.000) 0.190 5.714 ( -1.394 2.415 -0.000) 2.788 6.026 ( -0.812 1.406 0.000) 1.624 6.319 ( -0.998 1.729 -0.000) 1.996 6.671 ( -4.625 8.010 -0.000) 9.249 7.306 ( 3.673 -6.362 0.000) 7.346 7.455 ( 4.694 -8.130 0.000) 9.388 8.157 ( -2.124 3.678 0.000) 4.247 8.480 ( 0.065 -0.112 -0.000) 0.130 8.593 ( 7.590 -13.146 0.000) 15.180 9.453 ( -6.016 10.420 -0.000) 12.032 9.746 ( -5.456 9.450 -0.000) 10.912 10.342 ( -11.585 20.067 0.000) 23.171 10.600 ( 13.809 -23.919 -0.000) 27.619 11.039 ( 4.359 -7.550 -0.000) 8.718 12.493 ( -0.565 0.979 -0.000) 1.131 12.617 ( -5.390 9.336 0.000) 10.780 12.882 ( 2.458 -4.257 0.000) 4.915 13.219 ( 0.498 -0.862 -0.000) 0.996 17.212 ( -2.724 4.717 0.000) 5.447 17.443 ( 2.944 -5.099 -0.000) 5.887 17.878 ( 0.338 -0.586 -0.000) 0.677 18.363 ( -2.908 5.036 0.000) 5.815 18.927 ( 0.467 -0.809 0.000) 0.934 19.052 ( 1.997 -3.459 -0.000) 3.994 ======================= Grid point 35 (14/80) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.349 0.605 0.000) 0.699 1.729 ( -3.082 -5.339 0.000) 6.165 1.964 ( -0.411 -0.712 0.000) 0.822 2.229 ( 3.464 6.000 0.000) 6.928 2.391 ( -3.302 -5.719 0.000) 6.604 2.715 ( 0.052 0.090 0.000) 0.104 3.040 ( 1.307 2.263 0.000) 2.613 3.181 ( 1.554 2.692 0.000) 3.108 3.235 ( -0.846 -1.466 0.000) 1.693 5.140 ( 0.679 1.176 0.000) 1.358 5.368 ( 2.359 4.086 0.000) 4.718 5.478 ( -1.922 -3.328 0.000) 3.843 5.776 ( 5.558 9.627 0.000) 11.116 6.006 ( -3.587 -6.212 0.000) 7.173 6.344 ( -2.058 -3.564 0.000) 4.115 6.814 ( 4.333 7.505 0.000) 8.666 7.153 ( 4.355 7.543 0.000) 8.709 7.394 ( -6.798 -11.775 0.000) 13.596 8.217 ( -2.870 -4.971 0.000) 5.740 8.412 ( 2.640 4.573 0.000) 5.280 8.509 ( -3.238 -5.608 0.000) 6.476 9.541 ( 9.790 16.958 0.000) 19.581 10.033 ( -4.561 -7.900 0.000) 9.122 10.183 ( -6.792 -11.763 0.000) 13.583 10.605 ( 7.980 13.821 0.000) 15.959 10.907 ( -4.173 -7.228 0.000) 8.346 12.498 ( 1.907 3.302 0.000) 3.813 12.771 ( -0.870 -1.506 0.000) 1.739 12.782 ( 0.894 1.548 0.000) 1.788 13.209 ( -0.160 -0.278 0.000) 0.320 17.286 ( 1.696 2.937 0.000) 3.391 17.364 ( -1.022 -1.770 0.000) 2.044 17.873 ( -0.552 -0.956 0.000) 1.104 18.420 ( 1.584 2.744 0.000) 3.168 18.909 ( 1.905 3.299 0.000) 3.809 19.021 ( -3.664 -6.346 0.000) 7.327 ======================= Grid point 109 (15/80) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -0.000 0.000 30.685) 30.685 0.645 ( 0.000 0.000 28.530) 28.530 1.103 ( 0.000 0.000 49.830) 49.830 2.479 ( -0.000 0.000 7.849) 7.849 2.566 ( -0.000 0.000 4.552) 4.552 2.917 ( -0.000 0.000 -3.354) 3.354 3.139 ( 0.000 0.000 1.698) 1.698 3.183 ( -0.000 -0.000 1.303) 1.303 3.322 ( -0.000 0.000 -1.681) 1.681 5.133 ( -0.000 0.000 0.354) 0.354 5.173 ( 0.000 0.000 3.312) 3.312 5.647 ( 0.000 0.000 -6.640) 6.640 6.001 ( -0.000 0.000 5.295) 5.295 6.072 ( 0.000 -0.000 -21.284) 21.284 6.580 ( -0.000 0.000 -7.349) 7.349 6.867 ( 0.000 0.000 7.114) 7.114 6.965 ( 0.000 0.000 16.186) 16.186 7.396 ( 0.000 0.000 -27.409) 27.409 8.139 ( -0.000 -0.000 0.634) 0.634 8.166 ( 0.000 -0.000 0.119) 0.119 8.327 ( -0.000 -0.000 1.763) 1.763 8.879 ( 0.000 0.000 18.395) 18.395 9.789 ( 0.000 -0.000 -23.081) 23.081 10.141 ( -0.000 0.000 -4.823) 4.823 11.247 ( -0.000 -0.000 1.511) 1.511 11.956 ( 0.000 0.000 6.292) 6.292 12.001 ( -0.000 0.000 0.616) 0.616 12.396 ( 0.000 0.000 0.391) 0.391 12.430 ( 0.000 0.000 8.283) 8.283 13.420 ( 0.000 -0.000 -2.347) 2.347 16.999 ( -0.000 0.000 -0.456) 0.456 17.042 ( -0.000 -0.000 -3.266) 3.266 17.267 ( 0.000 -0.000 7.647) 7.647 18.579 ( -0.000 0.000 -12.479) 12.479 19.020 ( 0.000 0.000 8.240) 8.240 19.474 ( -0.000 0.000 -1.166) 1.166 ======================= Grid point 110 (16/80) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 13.126 7.579 20.702) 25.657 0.824 ( 15.656 9.039 20.657) 27.450 1.517 ( 27.965 16.146 34.200) 47.036 2.473 ( -1.176 -0.679 7.584) 7.705 2.558 ( -0.554 -0.320 4.991) 5.031 2.857 ( -4.495 -2.595 -2.946) 5.968 3.086 ( -6.627 -3.826 -2.108) 7.937 3.165 ( -0.408 -0.235 3.970) 3.998 3.294 ( -1.464 -0.845 -0.607) 1.796 5.092 ( -2.908 -1.679 2.052) 3.935 5.170 ( 1.393 0.804 2.570) 3.031 5.632 ( 1.038 0.599 -10.410) 10.479 5.926 ( -8.611 -4.971 0.485) 9.955 6.014 ( -5.069 -2.927 -6.417) 8.685 6.587 ( -1.682 -0.971 -3.768) 4.239 6.761 ( -3.985 -2.301 -3.504) 5.784 7.068 ( 6.669 3.850 9.704) 12.388 7.395 ( 0.838 0.484 -7.897) 7.956 8.128 ( -6.911 -3.990 6.757) 10.457 8.306 ( 7.010 4.047 -3.523) 8.827 8.424 ( 13.165 7.601 -6.880) 16.686 8.864 ( 2.836 1.638 13.262) 13.661 9.884 ( -0.793 -0.458 -19.995) 20.016 10.129 ( 5.411 3.124 -7.100) 9.457 11.117 ( -4.445 -2.566 0.614) 5.169 11.698 ( -22.956 -13.254 3.941) 26.799 11.995 ( -2.375 -1.371 11.074) 11.408 12.305 ( 2.086 1.204 -1.425) 2.799 12.687 ( 11.560 6.674 11.338) 17.514 13.227 ( -3.525 -2.035 8.716) 9.619 17.018 ( 1.697 0.980 -0.450) 2.011 17.158 ( 3.041 1.756 -1.163) 3.699 17.503 ( 14.568 8.411 -11.691) 20.485 18.551 ( -2.828 -1.633 -2.630) 4.193 18.814 ( -9.679 -5.588 9.511) 14.676 19.575 ( 2.993 1.728 -7.022) 7.826 ======================= Grid point 111 (17/80) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 18.505 10.684 8.077) 22.843 1.240 ( 19.431 11.219 10.691) 24.854 2.106 ( 19.575 11.301 13.069) 26.109 2.430 ( -2.693 -1.555 10.641) 11.086 2.548 ( -0.842 -0.486 7.980) 8.039 2.733 ( -3.912 -2.258 -1.498) 4.759 2.884 ( -8.968 -5.178 -4.958) 11.481 3.161 ( -0.947 -0.547 6.110) 6.207 3.268 ( -0.721 -0.416 -0.123) 0.842 5.046 ( -1.346 -0.777 -3.016) 3.393 5.208 ( 1.474 0.851 5.377) 5.640 5.658 ( 0.277 0.160 -7.906) 7.913 5.682 ( -10.079 -5.819 2.036) 11.815 5.904 ( -3.980 -2.298 -1.813) 4.940 6.588 ( 3.231 1.866 -1.269) 3.941 6.654 ( -5.710 -3.297 -1.688) 6.806 7.217 ( 4.321 2.494 1.651) 5.255 7.442 ( 3.633 2.098 -4.580) 6.211 7.938 ( -7.135 -4.120 15.946) 17.949 8.454 ( 6.093 3.518 0.288) 7.042 8.754 ( 14.036 8.104 -15.602) 22.497 9.028 ( 9.916 5.725 5.700) 12.790 9.675 ( -13.443 -7.761 -8.391) 17.645 10.410 ( 15.220 8.787 -15.405) 23.371 11.014 ( -15.422 -8.904 7.670) 19.389 11.170 ( -12.255 -7.075 -3.805) 14.653 12.000 ( 2.636 1.522 9.680) 10.147 12.368 ( 2.459 1.420 -4.217) 5.084 12.801 ( 0.742 0.428 8.053) 8.098 13.362 ( 10.960 6.328 12.077) 17.493 17.060 ( 1.648 0.952 0.160) 1.910 17.233 ( 4.425 2.555 0.135) 5.111 17.733 ( 6.337 3.659 -12.582) 14.555 18.448 ( -5.357 -3.093 12.940) 14.342 18.695 ( -1.866 -1.078 -6.508) 6.855 19.565 ( -3.173 -1.832 -4.572) 5.859 ======================= Grid point 112 (18/80) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 16.336 9.431 3.237) 19.139 1.657 ( 16.724 9.655 7.104) 20.576 2.178 ( -12.033 -6.948 2.202) 14.068 2.366 ( 0.373 0.215 0.205) 0.476 2.527 ( 0.191 0.110 8.756) 8.759 2.720 ( -5.071 -2.928 -3.807) 6.984 2.851 ( 8.968 5.178 6.484) 12.218 3.109 ( -3.320 -1.917 6.813) 7.818 3.258 ( -0.421 -0.243 0.841) 0.971 5.016 ( -1.544 -0.891 -2.825) 3.341 5.218 ( -0.396 -0.229 3.059) 3.093 5.557 ( -0.002 -0.001 7.402) 7.402 5.641 ( -1.657 -0.956 -8.139) 8.361 5.845 ( -1.943 -1.122 -2.334) 3.238 6.492 ( -5.364 -3.097 6.954) 9.312 6.775 ( 8.790 5.075 -5.822) 11.701 7.210 ( -1.936 -1.118 6.708) 7.071 7.546 ( 4.117 2.377 -4.034) 6.234 7.877 ( 1.965 1.134 12.670) 12.871 8.575 ( 3.870 2.234 -2.974) 5.368 9.005 ( 6.176 3.566 -11.519) 13.548 9.230 ( 4.770 2.754 -2.125) 5.904 9.393 ( -5.913 -3.414 -2.691) 7.339 10.438 ( -27.066 -15.626 6.895) 32.004 10.755 ( 14.408 8.318 -13.244) 21.265 11.118 ( -0.422 -0.244 -6.536) 6.554 12.094 ( 5.127 2.960 7.110) 9.252 12.406 ( 0.978 0.565 -4.984) 5.110 12.812 ( 0.849 0.490 2.915) 3.075 13.577 ( 6.881 3.973 17.616) 19.325 17.087 ( 0.794 0.458 0.538) 1.063 17.362 ( 6.634 3.830 -0.484) 7.676 17.816 ( 1.366 0.789 -9.523) 9.652 18.351 ( -2.813 -1.624 12.370) 12.789 18.687 ( 0.766 0.442 -9.471) 9.512 19.455 ( -6.162 -3.558 -2.032) 7.400 ======================= Grid point 113 (19/80) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -4.047 -2.337 1.219) 4.830 1.895 ( 8.063 4.655 8.812) 12.819 2.048 ( 8.000 4.619 1.985) 9.449 2.323 ( -3.592 -2.074 -3.873) 5.675 2.561 ( 2.891 1.669 8.852) 9.460 2.670 ( 0.319 0.184 -1.796) 1.833 2.952 ( -0.543 -0.313 3.932) 3.982 3.033 ( -2.724 -1.573 2.592) 4.076 3.248 ( -0.332 -0.191 3.955) 3.973 4.978 ( -1.474 -0.851 1.861) 2.522 5.222 ( 0.719 0.415 -4.249) 4.330 5.590 ( -1.185 -0.684 -13.060) 13.131 5.653 ( 5.911 3.413 12.700) 14.418 5.791 ( -2.768 -1.598 -3.683) 4.877 6.394 ( -4.784 -2.762 8.459) 10.103 6.824 ( -2.593 -1.497 8.389) 8.908 7.365 ( 14.008 8.088 2.535) 16.373 7.609 ( 2.290 1.322 1.472) 3.026 7.965 ( 3.769 2.176 4.491) 6.254 8.516 ( -10.584 -6.111 -12.850) 17.734 9.025 ( 3.327 1.921 5.168) 6.440 9.296 ( 4.070 2.350 -12.611) 13.459 9.483 ( 5.815 3.357 2.125) 7.043 9.862 ( -22.908 -13.226 4.578) 26.845 11.017 ( 4.634 2.675 -11.482) 12.668 11.114 ( 3.397 1.961 -8.353) 9.228 12.208 ( 4.533 2.617 4.139) 6.673 12.416 ( -0.052 -0.030 -4.829) 4.829 12.846 ( 2.109 1.217 1.087) 2.666 13.655 ( 0.069 0.040 20.633) 20.633 17.099 ( 0.291 0.168 0.278) 0.436 17.514 ( 6.386 3.687 0.146) 7.376 17.808 ( -1.673 -0.966 -7.588) 7.830 18.324 ( 0.171 0.099 9.843) 9.845 18.727 ( 2.875 1.660 -10.307) 10.828 19.302 ( -7.063 -4.078 -0.228) 8.159 ======================= Grid point 114 (20/80) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -2.145 -1.238 3.622) 4.388 2.023 ( -2.752 -1.589 5.054) 5.969 2.110 ( 0.704 0.407 -0.586) 1.002 2.399 ( 9.623 5.556 2.595) 11.411 2.621 ( 1.863 1.075 12.392) 12.577 2.684 ( -0.425 -0.245 -3.873) 3.904 2.886 ( -3.750 -2.165 3.155) 5.358 2.997 ( 0.056 0.032 -3.547) 3.548 3.244 ( -0.410 -0.237 7.889) 7.903 4.963 ( 0.180 0.104 3.587) 3.593 5.211 ( -2.414 -1.394 -6.874) 7.417 5.582 ( 0.642 0.370 -14.941) 14.959 5.732 ( -0.852 -0.492 0.301) 1.028 5.826 ( 8.023 4.632 7.686) 12.037 6.234 ( -8.254 -4.766 8.370) 12.685 6.834 ( 3.540 2.044 16.862) 17.351 7.509 ( -3.865 -2.232 1.068) 4.589 7.641 ( -6.395 -3.692 -0.498) 7.402 7.972 ( -0.058 -0.034 -5.837) 5.837 8.432 ( 10.766 6.215 -2.566) 12.693 9.202 ( 9.007 5.200 2.502) 10.698 9.319 ( -7.483 -4.320 3.264) 9.236 9.412 ( -6.837 -3.947 -7.573) 10.939 9.621 ( 2.586 1.493 0.459) 3.021 10.938 ( -7.234 -4.176 -15.819) 17.888 11.287 ( 7.788 4.496 -2.958) 9.467 12.283 ( 1.823 1.053 1.564) 2.623 12.408 ( -0.616 -0.356 -6.476) 6.515 12.896 ( 1.943 1.122 1.796) 2.874 13.593 ( -5.097 -2.943 21.130) 21.934 17.100 ( -0.249 -0.144 -0.051) 0.292 17.615 ( 1.321 0.762 2.591) 3.006 17.773 ( -0.203 -0.117 -8.183) 8.186 18.345 ( 1.420 0.820 9.605) 9.744 18.810 ( 3.870 2.234 -11.459) 12.299 19.158 ( -4.870 -2.812 0.518) 5.647 ======================= Grid point 116 (21/80) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 0.603 0.348 2.877) 2.960 1.848 ( -10.164 -5.868 0.124) 11.737 2.139 ( 0.937 0.541 7.907) 7.981 2.597 ( -4.230 -2.442 1.140) 5.016 2.615 ( 7.973 4.603 4.018) 10.045 2.697 ( 3.578 2.066 7.086) 8.202 2.818 ( -1.373 -0.792 1.030) 1.890 3.033 ( 0.997 0.576 -3.181) 3.383 3.199 ( -3.633 -2.097 8.847) 9.791 4.984 ( 1.432 0.827 2.152) 2.714 5.133 ( -3.300 -1.905 -4.433) 5.846 5.561 ( -3.049 -1.760 -14.884) 15.294 5.787 ( 6.037 3.485 6.572) 9.581 5.992 ( 3.433 1.982 4.993) 6.375 6.123 ( 2.253 1.301 8.356) 8.752 6.864 ( -7.122 -4.112 0.990) 8.283 7.211 ( -10.136 -5.852 3.543) 12.229 7.524 ( -3.607 -2.082 0.476) 4.192 8.010 ( 1.964 1.134 -0.956) 2.461 8.780 ( 7.179 4.145 -3.954) 9.184 9.068 ( 0.365 0.210 11.471) 11.479 9.336 ( -2.283 -1.318 -1.974) 3.293 9.395 ( 0.381 0.220 -8.019) 8.031 9.732 ( 8.621 4.978 -1.840) 10.124 10.741 ( -9.342 -5.393 -19.461) 22.250 11.445 ( 6.546 3.779 6.294) 9.835 12.284 ( -1.695 -0.979 1.668) 2.571 12.389 ( -1.054 -0.609 -11.662) 11.726 12.910 ( -1.283 -0.741 3.506) 3.806 13.453 ( -6.560 -3.788 19.262) 20.698 17.088 ( -0.776 -0.448 -0.233) 0.926 17.563 ( -4.762 -2.750 1.893) 5.816 17.806 ( 1.801 1.040 -6.851) 7.159 18.381 ( 1.717 0.991 11.239) 11.412 18.850 ( -1.059 -0.611 -8.728) 8.813 19.139 ( 3.942 2.276 -3.453) 5.714 ======================= Grid point 117 (22/80) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( -14.520 -8.383 2.930) 17.020 1.591 ( -11.149 -6.437 6.114) 14.251 2.215 ( 6.036 3.485 4.483) 8.287 2.503 ( -3.745 -2.162 2.186) 4.845 2.704 ( -0.640 -0.369 9.782) 9.809 2.762 ( -3.762 -2.172 9.265) 10.233 2.882 ( 4.718 2.724 -4.252) 6.911 2.932 ( -1.166 -0.673 5.704) 5.861 3.178 ( 1.375 0.794 0.385) 1.634 5.003 ( -0.027 -0.015 -3.954) 3.954 5.112 ( 1.621 0.936 2.486) 3.112 5.481 ( -2.751 -1.588 -6.322) 7.075 5.981 ( 7.546 4.357 13.104) 15.736 5.994 ( 2.279 1.316 -2.308) 3.501 6.284 ( 6.427 3.711 6.176) 9.655 6.538 ( -12.349 -7.130 -15.970) 21.409 7.202 ( 2.785 1.608 4.591) 5.606 7.444 ( -3.146 -1.816 0.359) 3.650 8.071 ( 3.705 2.139 6.545) 7.819 8.591 ( -13.204 -7.623 3.412) 15.624 9.196 ( -7.728 -4.462 -4.844) 10.154 9.263 ( -8.103 -4.678 -6.347) 11.306 9.445 ( 16.207 9.357 6.960) 19.966 9.962 ( 9.006 5.200 -12.029) 15.901 10.572 ( -3.788 -2.187 -16.916) 17.472 11.600 ( 7.591 4.383 15.365) 17.689 12.224 ( -3.044 -1.757 3.770) 5.154 12.353 ( -2.356 -1.361 -15.122) 15.365 12.820 ( -6.677 -3.855 4.762) 9.062 13.322 ( -4.832 -2.790 15.388) 16.368 17.067 ( -1.062 -0.613 -0.310) 1.265 17.434 ( -6.273 -3.622 1.968) 7.506 17.819 ( -1.065 -0.615 -8.199) 8.290 18.424 ( 2.174 1.255 12.992) 13.232 18.806 ( -1.794 -1.036 -5.831) 6.188 19.285 ( 7.612 4.395 -6.966) 11.215 ======================= Grid point 118 (23/80) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -18.736 -10.817 7.630) 22.940 1.238 ( -18.364 -10.602 11.003) 23.890 2.189 ( -27.101 -15.647 21.189) 37.792 2.360 ( 5.830 3.366 4.496) 8.095 2.554 ( -1.188 -0.686 4.229) 4.446 2.787 ( 3.498 2.020 2.247) 4.622 2.984 ( 5.642 3.257 1.119) 6.610 3.095 ( 8.401 4.850 0.289) 9.705 3.198 ( 0.209 0.120 0.146) 0.282 5.010 ( 1.313 0.758 -2.833) 3.213 5.152 ( 1.001 0.578 2.404) 2.667 5.483 ( 2.813 1.624 -3.900) 5.076 5.944 ( -2.665 -1.539 -0.022) 3.078 6.174 ( 1.638 0.946 3.648) 4.110 6.340 ( 7.678 4.433 -7.984) 11.931 6.539 ( 6.606 3.814 -2.614) 8.063 7.234 ( 0.021 0.012 -1.743) 1.743 7.382 ( -3.274 -1.890 2.589) 4.582 8.169 ( 4.103 2.369 8.914) 10.095 8.317 ( -9.302 -5.370 5.261) 11.960 8.916 ( -16.886 -9.749 -15.879) 25.145 9.031 ( -9.931 -5.733 7.500) 13.702 9.776 ( 10.872 6.277 -1.300) 12.621 10.061 ( 0.413 0.239 -17.064) 17.071 10.639 ( 9.366 5.408 -9.303) 14.266 11.800 ( 9.785 5.650 19.353) 22.410 12.177 ( -0.695 -0.401 4.881) 4.946 12.281 ( -3.496 -2.018 -9.752) 10.555 12.628 ( -9.634 -5.562 4.294) 11.924 13.232 ( -3.132 -1.808 11.666) 12.214 17.041 ( -1.157 -0.668 -0.388) 1.391 17.294 ( -5.758 -3.324 1.988) 6.940 17.741 ( -6.261 -3.615 -11.904) 13.927 18.483 ( 3.096 1.787 10.826) 11.401 18.789 ( 0.578 0.334 -2.172) 2.273 19.447 ( 6.135 3.542 -7.453) 10.282 ======================= Grid point 119 (24/80) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -14.953 -8.633 19.577) 26.103 0.836 ( -15.334 -8.853 20.707) 27.245 1.518 ( -28.850 -16.657 35.831) 48.925 2.461 ( 2.626 1.516 6.724) 7.376 2.558 ( 0.612 0.353 4.412) 4.469 2.865 ( 3.232 1.866 -2.409) 4.442 3.099 ( 3.857 2.227 1.363) 4.658 3.189 ( -0.653 -0.377 1.448) 1.633 3.260 ( 5.449 3.146 -1.268) 6.419 5.077 ( 4.357 2.515 2.495) 5.616 5.158 ( -0.089 -0.052 2.089) 2.091 5.562 ( 4.004 2.312 -8.634) 9.794 5.940 ( 2.611 1.508 1.820) 3.522 6.160 ( -2.633 -1.520 -10.116) 10.563 6.516 ( 5.311 3.066 -9.964) 11.700 6.725 ( 9.294 5.366 5.138) 11.898 7.144 ( -10.373 -5.989 8.642) 14.770 7.336 ( 2.491 1.438 -8.278) 8.763 8.159 ( -1.834 -1.059 -1.836) 2.802 8.284 ( 1.987 1.147 8.518) 8.822 8.481 ( -19.793 -11.427 -12.099) 25.860 8.869 ( -2.930 -1.692 14.137) 14.536 9.875 ( -2.577 -1.488 -22.921) 23.113 10.086 ( 3.234 1.867 -1.893) 4.187 10.949 ( 17.535 10.124 0.012) 20.248 11.980 ( 4.466 2.578 10.761) 11.933 12.083 ( -8.672 -5.007 -6.224) 11.791 12.337 ( 7.691 4.441 10.341) 13.631 12.435 ( -4.997 -2.885 7.612) 9.552 13.222 ( 4.704 2.716 9.959) 11.344 17.014 ( -1.164 -0.672 -0.461) 1.421 17.181 ( -4.664 -2.693 -0.753) 5.438 17.504 ( -15.130 -8.735 -12.006) 21.198 18.552 ( 2.468 1.425 -2.557) 3.829 18.858 ( 6.468 3.734 9.375) 11.986 19.531 ( 0.373 0.215 -7.148) 7.161 ======================= Grid point 121 (25/80) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 6.993 16.297 15.122) 23.306 1.089 ( 11.342 18.979 11.226) 24.796 2.022 ( 14.828 29.539 20.551) 38.920 2.417 ( -0.190 -4.773 7.089) 8.548 2.555 ( 0.361 0.493 5.627) 5.660 2.785 ( -4.812 -4.344 -1.272) 6.606 2.964 ( -7.852 -7.666 -1.254) 11.045 3.172 ( -0.326 -0.199 2.671) 2.699 3.232 ( 1.791 -4.691 0.376) 5.035 5.039 ( 0.188 -2.522 -1.870) 3.146 5.177 ( 2.045 -0.195 2.869) 3.529 5.564 ( 4.307 -5.588 -6.831) 9.820 5.845 ( -9.284 0.274 4.312) 10.240 6.072 ( -11.536 4.266 -6.094) 13.726 6.426 ( 5.054 -11.881 -0.952) 12.946 6.680 ( 1.161 -5.547 -3.842) 6.847 7.227 ( 0.246 4.262 2.377) 4.886 7.362 ( 3.342 1.029 -1.852) 3.957 8.128 ( -9.167 3.034 10.245) 14.078 8.353 ( 9.841 1.542 2.468) 10.262 8.645 ( 0.912 12.369 -7.437) 14.462 9.027 ( 6.490 14.595 0.342) 15.977 9.776 ( -8.895 -9.737 -7.508) 15.175 10.207 ( 14.175 3.083 -14.882) 20.782 10.860 ( 8.499 -15.571 -5.179) 18.480 11.534 ( -30.594 -8.049 13.081) 34.233 12.097 ( -4.608 8.385 0.458) 9.579 12.357 ( 3.518 3.824 2.019) 5.574 12.687 ( 11.682 -1.236 7.415) 13.892 13.250 ( 6.364 3.724 10.413) 12.759 17.054 ( 2.309 2.127 -0.525) 3.183 17.219 ( -0.405 4.428 1.302) 4.634 17.698 ( 4.625 8.749 -13.113) 16.428 18.494 ( -3.134 -3.534 9.582) 10.683 18.747 ( -4.942 -1.077 -1.872) 5.393 19.534 ( 1.859 -5.491 -6.237) 8.515 ======================= Grid point 122 (26/80) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 14.886 9.844 7.354) 19.303 1.478 ( 14.106 14.124 6.956) 21.139 2.289 ( -5.203 -2.459 1.828) 6.038 2.400 ( -1.014 2.843 5.107) 5.932 2.541 ( -3.297 -0.727 8.983) 9.597 2.727 ( 0.646 -1.660 -2.646) 3.190 2.826 ( 1.463 5.815 5.821) 8.357 3.152 ( -2.588 -0.447 4.829) 5.497 3.221 ( 2.348 -3.979 0.570) 4.655 5.022 ( -0.491 -0.898 -5.351) 5.448 5.216 ( 2.270 0.209 4.252) 4.824 5.574 ( 3.090 -5.252 -6.160) 8.665 5.656 ( -10.337 0.766 11.173) 15.240 5.969 ( -7.341 7.470 -6.966) 12.579 6.482 ( 5.606 -6.828 4.035) 9.713 6.650 ( 5.484 -0.637 -4.738) 7.275 7.197 ( -2.771 -6.358 3.050) 7.576 7.467 ( 5.485 3.087 -4.045) 7.481 8.029 ( -8.187 10.170 13.713) 18.934 8.506 ( 6.105 1.027 0.432) 6.206 8.844 ( 11.972 4.459 -5.411) 13.874 9.211 ( -3.147 3.536 -7.493) 8.862 9.536 ( -5.685 -0.223 -3.245) 6.550 10.500 ( 15.774 -0.897 -15.142) 21.884 10.779 ( -13.169 -8.822 -1.642) 15.936 11.048 ( -7.277 -7.714 5.648) 12.015 12.124 ( -1.453 7.795 1.478) 8.066 12.436 ( -0.001 5.265 -3.021) 6.070 12.789 ( 3.277 0.509 6.281) 7.103 13.450 ( 10.580 2.289 14.683) 18.242 17.109 ( 0.285 3.520 0.043) 3.531 17.282 ( 4.322 2.626 0.619) 5.095 17.811 ( 1.837 3.450 -10.199) 10.923 18.401 ( -4.010 -1.239 13.192) 13.844 18.695 ( -1.455 0.716 -8.666) 8.816 19.471 ( -1.776 -7.198 -3.512) 8.203 ======================= Grid point 123 (27/80) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 15.301 3.137 3.152) 15.934 1.799 ( 8.475 6.178 4.633) 11.465 2.049 ( -9.162 -5.063 3.951) 11.189 2.367 ( -2.564 -3.517 -1.430) 4.581 2.532 ( 0.937 0.748 8.014) 8.103 2.680 ( -0.424 0.747 -1.729) 1.931 2.978 ( 0.614 5.643 5.323) 7.782 3.086 ( -3.916 0.113 3.054) 4.968 3.233 ( 1.959 -1.235 2.593) 3.477 5.005 ( -1.285 0.690 -2.946) 3.288 5.248 ( -0.118 2.493 1.499) 2.911 5.530 ( -0.143 -3.993 -6.257) 7.424 5.634 ( 3.068 2.582 9.301) 10.128 5.915 ( -8.085 7.047 -5.360) 11.989 6.435 ( -1.524 -2.765 9.580) 10.087 6.843 ( 3.181 2.645 -6.135) 7.400 7.116 ( 11.191 -7.139 9.705) 16.444 7.563 ( 2.584 1.311 -0.829) 3.014 8.058 ( -2.965 12.967 7.937) 15.489 8.567 ( -0.137 -4.261 -6.451) 7.733 8.954 ( -4.354 -14.876 -2.418) 15.688 9.108 ( 10.023 2.841 -2.050) 10.618 9.633 ( -0.697 17.201 -5.813) 18.170 10.223 ( -28.441 -5.978 2.031) 29.133 10.819 ( 16.016 -3.391 -9.469) 18.913 11.016 ( 4.555 -7.467 -5.538) 10.352 12.194 ( 1.960 5.074 -1.767) 5.719 12.459 ( -2.571 4.527 -3.551) 6.302 12.853 ( 1.554 4.599 5.655) 7.453 13.594 ( 5.654 -2.079 18.484) 19.441 17.131 ( -1.565 3.601 0.370) 3.943 17.409 ( 7.645 1.111 0.115) 7.726 17.832 ( -1.214 0.382 -7.658) 7.763 18.354 ( -1.995 1.998 10.161) 10.545 18.702 ( 1.292 1.006 -9.759) 9.895 19.345 ( -4.305 -7.133 -1.116) 8.406 ======================= Grid point 124 (28/80) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -5.749 -3.600 3.292) 7.540 1.924 ( 10.602 -2.518 1.776) 11.040 2.101 ( 3.699 2.378 3.453) 5.591 2.276 ( 1.037 -4.896 1.906) 5.355 2.572 ( 2.790 0.063 9.155) 9.571 2.718 ( 0.772 3.424 -1.108) 3.681 2.944 ( -4.491 -0.481 4.487) 6.366 3.046 ( -3.283 3.222 -2.826) 5.399 3.256 ( 0.562 1.268 5.245) 5.425 4.998 ( -1.651 3.250 1.093) 3.806 5.250 ( -2.452 1.078 -3.862) 4.701 5.520 ( 3.284 -3.864 -9.466) 10.739 5.729 ( 2.395 2.893 6.199) 7.248 5.859 ( -4.409 7.727 -2.343) 9.199 6.378 ( -6.061 1.476 9.565) 11.419 6.773 ( -1.197 -3.873 9.954) 10.748 7.441 ( 18.280 0.709 3.701) 18.665 7.571 ( 0.620 -3.935 1.501) 4.257 8.082 ( -9.934 3.999 -0.433) 10.717 8.400 ( -2.548 -2.305 -8.348) 9.027 8.915 ( 12.168 -12.349 1.944) 17.445 9.308 ( 5.697 6.811 1.742) 9.049 9.674 ( -14.814 0.096 -0.355) 14.818 9.811 ( -13.100 15.364 -5.905) 21.037 10.959 ( 1.296 -7.732 -8.680) 11.696 11.044 ( 12.925 -8.506 -7.340) 17.126 12.279 ( 3.906 1.375 -9.333) 10.211 12.448 ( -4.338 5.546 1.063) 7.121 12.924 ( 0.239 6.292 5.784) 8.550 13.599 ( -0.348 -5.350 20.007) 20.713 17.133 ( -1.921 3.067 0.100) 3.620 17.534 ( 6.361 -1.476 1.390) 6.677 17.799 ( -1.964 -0.108 -6.971) 7.244 18.361 ( -0.735 3.493 8.327) 9.060 18.757 ( 3.753 1.095 -10.899) 11.579 19.202 ( -4.624 -5.510 0.634) 7.221 ======================= Grid point 125 (29/80) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 0.667 -0.019 2.512) 2.599 1.943 ( -5.044 -4.902 -0.486) 7.050 2.098 ( 1.866 -2.329 6.870) 7.490 2.367 ( 11.353 -5.890 3.840) 13.354 2.602 ( 0.769 -2.143 6.414) 6.806 2.738 ( -0.926 1.533 2.191) 2.830 2.884 ( -3.170 3.684 2.547) 5.487 3.049 ( -0.483 4.282 -3.914) 5.821 3.261 ( -2.519 1.412 7.356) 7.902 5.015 ( -1.266 5.136 2.223) 5.738 5.180 ( -4.462 -2.008 -5.161) 7.112 5.540 ( 2.274 -3.852 -13.365) 14.094 5.746 ( -0.155 2.060 6.469) 6.791 5.953 ( 4.106 6.757 2.429) 8.272 6.279 ( -9.286 9.661 8.130) 15.673 6.775 ( 5.279 -8.928 8.057) 13.133 7.340 ( -12.176 -11.961 3.304) 17.385 7.619 ( -3.848 1.226 1.589) 4.340 7.984 ( 2.090 2.336 -5.591) 6.410 8.586 ( 15.757 6.508 -1.408) 17.106 8.971 ( 9.601 -17.927 3.582) 20.650 9.234 ( -13.255 -0.908 3.185) 13.662 9.651 ( 4.006 16.640 -3.615) 17.493 9.801 ( -9.746 13.627 -5.831) 17.740 10.831 ( -6.651 -5.949 -16.717) 18.950 11.177 ( 14.963 -14.094 2.542) 20.712 12.336 ( 3.066 -3.001 -14.757) 15.368 12.427 ( -6.022 8.695 2.570) 10.884 12.966 ( -2.425 4.657 7.809) 9.410 13.501 ( -3.915 -5.503 19.004) 20.168 17.126 ( -2.251 2.745 -0.195) 3.555 17.558 ( 0.191 -5.532 2.277) 5.985 17.798 ( 0.999 1.722 -6.759) 7.046 18.385 ( -0.287 2.828 8.979) 9.418 18.821 ( 2.467 -1.664 -10.934) 11.332 19.121 ( 0.124 -0.106 -0.045) 0.169 ======================= Grid point 126 (30/80) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -4.858 -6.310 3.407) 8.662 1.748 ( -12.003 -2.574 2.548) 12.538 2.144 ( 5.483 0.800 6.610) 8.625 2.483 ( 7.722 -7.462 1.649) 10.864 2.569 ( 2.005 -2.760 3.931) 5.204 2.731 ( 0.311 -1.453 3.785) 4.066 2.938 ( 1.251 8.574 3.002) 9.170 3.059 ( -6.194 2.149 1.882) 6.821 3.188 ( -3.842 -0.021 4.561) 5.963 5.036 ( -2.117 2.745 -4.628) 5.782 5.115 ( -0.781 1.303 2.285) 2.744 5.506 ( -1.989 -2.273 -9.933) 10.382 5.801 ( 7.137 -3.689 13.828) 15.992 6.068 ( 0.730 8.426 -1.929) 8.675 6.311 ( -1.903 13.387 7.395) 15.412 6.614 ( -8.079 -16.735 -9.207) 20.739 7.152 ( 1.382 -2.809 5.967) 6.738 7.528 ( -6.692 1.271 0.266) 6.817 8.073 ( 1.840 6.066 2.562) 6.837 8.705 ( -6.307 -9.403 2.799) 11.663 9.033 ( 6.574 -11.128 -2.958) 13.259 9.118 ( 12.440 -0.405 3.838) 13.025 9.660 ( -16.731 10.659 -6.778) 20.964 9.970 ( 6.892 18.455 -5.734) 20.518 10.664 ( -7.219 -1.161 -18.349) 19.752 11.281 ( 16.010 -17.687 10.249) 25.965 12.308 ( -2.458 -2.697 -4.195) 5.560 12.426 ( -4.142 7.954 -9.881) 13.344 12.908 ( -6.822 -0.793 10.119) 12.229 13.394 ( -4.546 -0.735 15.972) 16.622 17.111 ( -2.690 2.715 -0.401) 3.843 17.463 ( -3.435 -6.676 1.948) 7.757 17.832 ( 0.351 1.286 -6.826) 6.955 18.406 ( 0.649 1.077 11.214) 11.284 18.795 ( -0.584 -4.283 -7.834) 8.948 19.215 ( 6.447 4.984 -4.397) 9.260 ======================= Grid point 127 (31/80) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -14.744 -9.308 8.126) 19.237 1.468 ( -18.470 -3.548 6.265) 19.824 2.283 ( 6.587 2.980 3.021) 7.835 2.447 ( -6.275 -2.910 5.808) 9.032 2.620 ( -0.596 -4.599 9.896) 10.929 2.721 ( -0.262 -1.186 0.813) 1.462 2.861 ( -1.732 -1.761 4.722) 5.329 3.088 ( 3.072 8.555 1.388) 9.195 3.187 ( 1.231 -0.292 1.015) 1.622 5.017 ( -0.743 0.703 -5.940) 6.027 5.155 ( 0.662 3.386 3.469) 4.893 5.479 ( 0.248 2.493 -3.360) 4.191 5.869 ( 6.603 -9.600 11.172) 16.142 6.175 ( 2.153 -1.094 -6.747) 7.166 6.242 ( -5.770 3.536 -0.915) 6.829 6.548 ( 4.308 6.826 -3.308) 8.724 7.202 ( 4.274 -0.990 0.466) 4.412 7.438 ( -5.014 0.521 -0.566) 5.073 8.150 ( 1.041 2.972 9.845) 10.336 8.465 ( -10.523 -3.908 4.579) 12.123 8.879 ( -5.419 -12.296 -3.465) 13.876 9.312 ( -7.824 -3.076 -9.588) 12.751 9.550 ( 8.637 2.817 2.323) 9.377 10.196 ( -2.431 15.783 -15.211) 22.054 10.635 ( 1.155 9.120 -11.783) 14.945 11.388 ( 19.155 -20.498 15.030) 31.828 12.224 ( -3.757 -3.393 -2.735) 5.754 12.420 ( -5.464 6.334 -5.177) 9.837 12.753 ( -7.952 -1.495 7.878) 11.293 13.324 ( -6.025 3.546 13.200) 14.937 17.088 ( -3.018 2.450 -0.553) 3.926 17.331 ( -4.327 -5.851 2.054) 7.562 17.814 ( -3.651 -0.067 -9.511) 10.188 18.436 ( 2.725 -0.397 12.987) 13.275 18.753 ( 0.559 -3.758 -6.596) 7.612 19.388 ( 6.909 5.598 -5.787) 10.609 ======================= Grid point 132 (32/80) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.285 8.817 4.319) 11.150 1.741 ( 8.091 11.255 4.758) 14.655 2.149 ( -7.472 -8.207 3.595) 11.666 2.367 ( -6.238 -5.861 1.789) 8.745 2.538 ( -0.337 0.816 5.619) 5.688 2.702 ( -1.057 0.927 -0.005) 1.406 3.016 ( 2.344 4.934 6.130) 8.211 3.129 ( 1.565 -2.031 1.361) 2.903 3.175 ( 2.080 2.820 3.208) 4.751 5.034 ( -0.342 2.323 -7.473) 7.834 5.205 ( 5.206 -1.520 4.738) 7.202 5.504 ( 0.728 -2.084 -8.509) 8.791 5.682 ( -6.033 2.673 15.284) 16.648 6.143 ( -6.280 6.326 -2.906) 9.375 6.386 ( 1.228 -0.650 -1.260) 1.876 6.620 ( 17.730 -1.862 0.657) 17.840 7.071 ( -7.560 -4.034 3.236) 9.160 7.547 ( 3.415 4.710 -0.208) 5.822 8.189 ( 2.484 2.623 5.678) 6.730 8.517 ( -3.111 2.402 4.661) 6.097 8.924 ( -3.400 -3.757 -5.404) 7.408 9.077 ( -4.527 -3.183 -0.084) 5.535 9.750 ( 6.868 15.106 -7.765) 18.320 10.357 ( 12.378 -13.154 -10.137) 20.712 10.682 ( -4.220 -1.356 -11.058) 11.914 10.930 ( -12.599 -4.120 9.115) 16.087 12.238 ( -1.957 3.431 -8.267) 9.162 12.528 ( 2.144 3.702 -5.701) 7.128 12.873 ( 2.546 7.699 13.595) 15.830 13.457 ( 6.949 -1.080 15.123) 16.678 17.169 ( 2.923 2.167 -0.580) 3.684 17.351 ( -0.353 4.434 1.839) 4.813 17.846 ( 0.013 0.022 -7.265) 7.265 18.404 ( -1.173 1.229 10.572) 10.708 18.719 ( -2.050 1.765 -9.030) 9.426 19.307 ( -0.721 -8.841 -2.687) 9.268 ======================= Grid point 133 (33/80) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 7.608 -0.036 1.520) 7.759 1.818 ( -5.954 -4.410 0.082) 7.410 2.056 ( 4.514 4.447 7.250) 9.628 2.240 ( -2.554 -6.097 3.655) 7.553 2.545 ( 0.333 -0.317 6.845) 6.860 2.727 ( 1.093 2.390 0.840) 2.759 3.013 ( -2.791 0.087 2.872) 4.006 3.125 ( -0.910 2.189 -0.549) 2.433 3.247 ( 1.209 2.156 2.987) 3.877 5.060 ( -0.699 4.927 -4.814) 6.924 5.272 ( 2.424 -0.400 3.224) 4.054 5.447 ( -0.858 -4.300 -9.395) 10.368 5.742 ( 2.762 8.525 10.706) 13.962 6.067 ( -9.671 6.713 -5.639) 13.054 6.361 ( 2.447 -5.283 8.837) 10.583 6.892 ( -11.069 2.452 2.853) 11.691 7.022 ( 26.160 -0.228 3.299) 26.368 7.588 ( -2.576 -0.475 4.397) 5.118 8.276 ( 0.074 5.816 0.365) 5.828 8.391 ( -7.143 -9.342 -2.172) 11.959 8.685 ( -0.716 -10.170 0.467) 10.206 9.269 ( 9.416 12.063 2.132) 15.451 9.916 ( -6.531 9.395 -7.431) 13.643 10.198 ( -16.590 2.053 -7.834) 18.461 10.624 ( 11.668 -12.060 2.678) 16.993 10.900 ( 4.288 -5.505 -10.099) 12.275 12.230 ( 0.185 -1.322 -17.321) 17.373 12.593 ( -1.542 8.721 2.405) 9.177 12.979 ( 1.178 6.967 13.308) 15.067 13.513 ( 3.285 -5.404 16.619) 17.782 17.208 ( -1.576 3.785 -0.193) 4.105 17.418 ( 4.869 0.102 1.929) 5.238 17.823 ( -1.481 -1.247 -6.247) 6.540 18.418 ( -0.654 3.994 7.236) 8.291 18.722 ( 0.899 0.840 -10.380) 10.453 19.199 ( -2.378 -7.106 0.275) 7.499 ======================= Grid point 134 (34/80) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -2.242 -1.172 1.414) 2.898 1.829 ( 7.739 -5.876 -0.659) 9.739 2.107 ( -2.039 -3.365 6.890) 7.934 2.214 ( 2.739 1.434 4.849) 5.751 2.548 ( 2.227 -2.764 7.658) 8.440 2.753 ( -0.043 0.377 2.287) 2.318 2.977 ( -3.202 3.791 1.735) 5.257 3.122 ( -2.625 3.220 -3.039) 5.147 3.278 ( 1.303 0.403 4.086) 4.307 5.103 ( -1.400 7.034 -1.366) 7.301 5.240 ( -4.437 -1.812 -2.091) 5.229 5.436 ( 4.255 -4.765 -8.850) 10.915 5.846 ( -3.764 8.635 6.945) 11.703 5.995 ( -2.660 5.268 -1.378) 6.060 6.393 ( 6.347 -3.803 8.608) 11.351 6.743 ( -10.485 5.064 5.383) 12.828 7.371 ( 0.005 -9.911 5.258) 11.219 7.486 ( 11.049 -2.974 3.140) 11.865 8.101 ( -10.521 2.407 -3.988) 11.506 8.452 ( 7.671 3.865 -1.782) 8.773 8.660 ( 7.067 -12.345 3.392) 14.623 9.485 ( -7.663 7.653 2.920) 11.217 9.735 ( -3.731 9.689 -0.893) 10.421 10.115 ( -8.454 10.587 -13.425) 19.073 10.724 ( 12.714 -12.869 4.412) 18.621 10.869 ( 0.906 -8.771 -13.817) 16.391 12.234 ( 3.256 -3.675 -21.844) 22.389 12.630 ( -5.444 9.976 6.009) 12.856 13.044 ( -0.582 4.579 13.923) 14.668 13.476 ( -0.165 -5.930 16.198) 17.250 17.207 ( -2.792 4.082 -0.277) 4.953 17.476 ( 3.119 -3.919 2.924) 5.799 17.798 ( 0.009 -0.041 -6.459) 6.459 18.440 ( -1.707 3.886 6.204) 7.517 18.757 ( 2.726 -1.288 -11.628) 12.013 19.114 ( -0.748 -2.783 1.984) 3.499 ======================= Grid point 136 (35/80) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -1.867 -0.968 0.903) 2.289 1.867 ( 0.463 -2.422 0.468) 2.510 2.050 ( 0.654 -1.351 7.628) 7.774 2.267 ( 5.989 -3.702 4.826) 8.536 2.556 ( 0.557 -1.739 5.028) 5.349 2.735 ( -1.621 -0.599 2.285) 2.865 2.990 ( -0.017 4.883 2.323) 5.408 3.114 ( -0.911 1.874 -0.796) 2.231 3.270 ( -3.112 -0.914 4.102) 5.230 5.108 ( -4.627 -0.361 -9.384) 10.469 5.170 ( -1.747 5.037 6.421) 8.346 5.468 ( 3.672 -2.847 -10.058) 11.079 5.772 ( -6.439 -0.296 12.360) 13.939 6.096 ( 3.794 7.430 -0.377) 8.351 6.453 ( 4.598 -8.193 -0.284) 9.399 6.628 ( -11.961 11.649 5.650) 17.626 7.117 ( -5.117 -11.169 3.425) 12.753 7.622 ( -0.472 -1.101 4.660) 4.811 8.112 ( 2.148 10.273 -4.001) 11.232 8.601 ( 3.529 -10.674 3.315) 11.720 8.684 ( 15.634 -4.541 1.052) 16.314 9.237 ( -15.742 1.005 1.946) 15.894 9.992 ( -6.912 6.244 -10.727) 14.207 10.040 ( 3.162 18.513 -3.971) 19.197 10.720 ( 0.624 -9.283 -10.945) 14.365 10.861 ( 9.597 -10.347 2.636) 14.356 12.258 ( 2.948 -3.347 -18.395) 18.928 12.597 ( -6.983 5.638 0.612) 8.996 13.017 ( -5.687 -0.393 16.687) 17.633 13.437 ( -0.394 0.545 14.689) 14.704 17.196 ( -3.053 3.694 -0.554) 4.824 17.439 ( -1.367 -5.462 2.615) 6.208 17.822 ( 1.816 0.679 -6.076) 6.378 18.432 ( -2.138 1.295 7.559) 7.962 18.757 ( 0.191 -3.633 -10.080) 10.716 19.154 ( 5.270 2.678 -0.385) 5.924 ======================= Grid point 144 (36/80) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.861 -1.716 -1.736) 3.069 1.738 ( -4.598 -2.098 2.290) 5.549 2.073 ( 0.213 -1.332 7.887) 8.001 2.238 ( 1.165 3.308 4.331) 5.573 2.506 ( -1.640 -2.673 7.271) 7.918 2.754 ( 0.317 0.591 3.398) 3.463 3.034 ( 0.981 1.429 0.198) 1.744 3.157 ( 1.420 1.265 -1.236) 2.268 3.268 ( -1.075 -0.320 2.548) 2.784 5.185 ( 0.319 6.997 -5.723) 9.045 5.244 ( 4.444 -2.084 2.630) 5.568 5.360 ( -3.974 -4.275 -9.353) 11.025 5.946 ( 5.406 11.324 9.265) 15.598 6.111 ( 1.979 -2.964 -2.196) 4.186 6.236 ( -8.185 -6.369 5.629) 11.800 6.960 ( 9.095 3.975 9.696) 13.875 7.136 ( 2.441 11.520 -0.515) 11.787 7.453 ( -9.209 -13.763 4.581) 17.182 8.200 ( 4.340 -1.264 -1.028) 4.636 8.419 ( -6.380 0.824 1.396) 6.582 8.539 ( -0.570 -3.977 0.573) 4.059 9.557 ( 10.000 15.748 1.476) 18.713 9.965 ( -6.436 -6.453 -5.152) 10.470 10.119 ( 0.565 -6.000 -5.252) 7.994 10.592 ( -0.525 7.080 -1.897) 7.349 10.772 ( -0.967 -7.040 -10.499) 12.678 12.188 ( -1.364 -1.821 -24.589) 24.694 12.745 ( 2.821 5.112 7.151) 9.232 13.075 ( 0.340 2.052 17.803) 17.924 13.424 ( -0.139 -2.427 13.225) 13.446 17.264 ( 1.215 1.659 -1.105) 2.334 17.418 ( -0.421 -0.085 4.155) 4.177 17.797 ( -0.527 -0.916 -6.390) 6.477 18.484 ( 1.130 2.154 5.518) 6.030 18.728 ( -0.752 -0.278 -12.103) 12.130 19.097 ( -0.861 -2.637 2.563) 3.777 ======================= Grid point 218 (37/80) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 0.000 24.350) 24.350 1.268 ( 0.000 0.000 28.512) 28.512 2.022 ( 0.000 0.000 32.773) 32.773 2.535 ( -0.000 0.000 -7.397) 7.397 2.743 ( 0.000 0.000 15.175) 15.175 2.833 ( 0.000 0.000 -2.218) 2.218 3.210 ( -0.000 0.000 1.344) 1.344 3.258 ( 0.000 0.000 8.263) 8.263 3.275 ( 0.000 0.000 -2.561) 2.561 5.135 ( 0.000 0.000 -0.280) 0.280 5.282 ( 0.000 0.000 7.113) 7.113 5.570 ( -0.000 0.000 -0.776) 0.776 5.679 ( -0.000 0.000 -14.791) 14.791 6.007 ( -0.000 -0.000 -4.726) 4.726 6.427 ( 0.000 -0.000 -6.637) 6.637 6.761 ( -0.000 0.000 -29.447) 29.447 7.040 ( 0.000 0.000 9.077) 9.077 7.245 ( -0.000 0.000 7.965) 7.965 8.158 ( 0.000 -0.000 -0.520) 0.520 8.190 ( -0.000 0.000 4.314) 4.314 8.296 ( -0.000 0.000 -3.320) 3.320 9.250 ( 0.000 -0.000 -25.724) 25.724 9.300 ( 0.000 0.000 19.273) 19.273 10.010 ( 0.000 -0.000 -6.587) 6.587 11.308 ( 0.000 0.000 4.580) 4.580 11.896 ( 0.000 -0.000 -8.929) 8.929 12.120 ( 0.000 0.000 7.906) 7.906 12.388 ( 0.000 0.000 -1.070) 1.070 12.700 ( -0.000 0.000 14.642) 14.642 13.343 ( -0.000 0.000 -5.027) 5.027 16.986 ( -0.000 0.000 -0.682) 0.682 16.991 ( -0.000 0.000 -1.626) 1.626 17.456 ( -0.000 -0.000 10.244) 10.244 18.300 ( 0.000 0.000 -13.706) 13.706 19.173 ( 0.000 0.000 6.296) 6.296 19.437 ( 0.000 0.000 -2.317) 2.317 ======================= Grid point 219 (38/80) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 4.454 2.571 22.931) 23.500 1.324 ( 6.550 3.782 25.078) 26.193 2.167 ( 8.906 5.142 20.121) 22.596 2.541 ( 1.424 0.822 -5.916) 6.141 2.736 ( 0.486 0.281 14.940) 14.951 2.822 ( -1.209 -0.698 2.422) 2.795 3.080 ( -10.321 -5.959 1.251) 11.983 3.266 ( -0.316 -0.182 -1.421) 1.467 3.294 ( 1.622 0.937 7.475) 7.706 5.162 ( -1.802 -1.040 3.947) 4.462 5.227 ( -0.110 -0.064 1.932) 1.936 5.445 ( -2.648 -1.529 -4.635) 5.553 5.791 ( -0.934 -0.539 -9.035) 9.099 5.969 ( 0.512 0.296 -1.046) 1.202 6.461 ( 3.565 2.058 -7.713) 8.743 6.668 ( -9.449 -5.455 -10.917) 15.435 7.097 ( 5.396 3.115 -5.409) 8.250 7.291 ( 3.292 1.900 4.387) 5.804 8.183 ( 3.238 1.869 -1.232) 3.936 8.273 ( 4.449 2.568 5.465) 7.500 8.380 ( 7.152 4.129 -2.661) 8.676 9.096 ( -5.524 -3.189 -3.875) 7.463 9.491 ( 8.191 4.729 -3.489) 10.081 9.999 ( 0.137 0.079 -6.287) 6.289 11.171 ( -7.871 -4.544 4.329) 10.067 11.670 ( -18.036 -10.413 -5.752) 21.606 12.209 ( 3.020 1.744 7.919) 8.653 12.279 ( -4.159 -2.401 0.134) 4.804 12.926 ( 12.382 7.149 10.546) 17.766 13.304 ( 0.802 0.463 -0.275) 0.966 17.007 ( 1.958 1.130 -0.472) 2.309 17.081 ( 5.725 3.306 -3.954) 7.703 17.517 ( 4.964 2.866 7.889) 9.751 18.330 ( 2.426 1.400 -13.269) 13.561 19.041 ( -9.991 -5.768 9.241) 14.782 19.455 ( 0.697 0.402 -4.846) 4.912 ======================= Grid point 220 (39/80) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 9.567 5.523 15.502) 19.035 1.546 ( 12.022 6.941 16.951) 21.910 2.287 ( 2.184 1.261 2.338) 3.439 2.570 ( -1.508 -0.871 -4.636) 4.952 2.710 ( -10.258 -5.923 5.311) 12.982 2.792 ( -1.202 -0.694 6.240) 6.393 2.908 ( 3.949 2.280 13.832) 14.564 3.241 ( -1.883 -1.087 -1.233) 2.500 3.326 ( 1.025 0.592 8.018) 8.104 5.048 ( -4.465 -2.578 2.749) 5.842 5.333 ( 5.035 2.907 4.242) 7.197 5.416 ( -1.062 -0.613 -6.324) 6.442 5.734 ( -0.930 -0.537 -5.751) 5.851 5.935 ( -5.926 -3.422 6.816) 9.659 6.494 ( 1.198 0.692 -7.629) 7.753 6.577 ( 2.158 1.246 -3.459) 4.263 7.202 ( 4.443 2.565 -6.116) 7.983 7.365 ( 2.574 1.486 -0.156) 2.976 8.238 ( 0.511 0.295 6.688) 6.714 8.380 ( 4.892 2.824 1.199) 5.774 8.582 ( 10.072 5.815 -3.428) 12.124 9.055 ( 0.890 0.514 -8.720) 8.780 9.530 ( -4.251 -2.454 1.444) 5.117 10.130 ( 11.929 6.887 -10.238) 17.162 11.017 ( -7.148 -4.127 -3.058) 8.802 11.169 ( -23.561 -13.603 0.619) 27.213 12.205 ( 0.338 0.195 4.166) 4.184 12.316 ( 3.551 2.050 3.287) 5.256 12.976 ( -3.542 -2.045 6.836) 7.966 13.554 ( 16.128 9.311 6.091) 19.593 17.060 ( 2.249 1.299 -0.033) 2.597 17.202 ( 5.196 3.000 -3.377) 6.884 17.644 ( 5.339 3.082 3.849) 7.268 18.393 ( 2.760 1.593 -12.076) 12.489 18.799 ( -10.323 -5.960 10.966) 16.197 19.438 ( -2.267 -1.309 -6.761) 7.250 ======================= Grid point 221 (40/80) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 11.298 6.523 6.951) 14.782 1.836 ( 13.094 7.560 9.064) 17.628 2.265 ( -8.459 -4.884 5.562) 11.240 2.394 ( -5.372 -3.102 0.986) 6.281 2.568 ( -2.091 -1.207 -4.887) 5.451 2.791 ( 1.387 0.801 9.233) 9.371 3.022 ( 2.160 1.247 8.879) 9.222 3.180 ( -3.442 -1.987 -0.469) 4.002 3.341 ( 0.524 0.303 7.552) 7.576 4.985 ( -1.222 -0.706 1.236) 1.876 5.374 ( -1.982 -1.145 -4.994) 5.493 5.377 ( -2.183 -1.260 4.410) 5.080 5.750 ( -0.498 -0.288 -5.807) 5.836 5.794 ( -2.671 -1.542 6.529) 7.220 6.597 ( 4.278 2.470 0.903) 5.021 6.685 ( 9.834 5.678 0.778) 11.382 7.309 ( 4.264 2.462 0.311) 4.933 7.422 ( 4.132 2.386 -3.639) 6.001 8.221 ( -1.043 -0.602 12.889) 12.945 8.449 ( -1.064 -0.614 -4.464) 4.630 8.810 ( 9.421 5.439 -6.712) 12.782 9.030 ( -3.298 -1.904 -10.966) 11.608 9.481 ( 2.504 1.446 5.617) 6.317 10.430 ( 7.130 4.117 -11.412) 14.072 10.560 ( -19.225 -11.100 0.523) 22.206 10.934 ( -5.276 -3.046 -8.561) 10.508 12.237 ( 1.960 1.132 -0.725) 2.376 12.398 ( 3.398 1.962 8.702) 9.545 12.909 ( -1.657 -0.957 4.800) 5.168 13.868 ( 10.616 6.129 9.409) 15.453 17.096 ( 0.878 0.507 0.237) 1.041 17.334 ( 6.620 3.822 -2.629) 8.083 17.732 ( 2.161 1.248 2.508) 3.538 18.444 ( 1.598 0.923 -12.222) 12.360 18.610 ( -5.731 -3.309 11.124) 12.943 19.358 ( -4.612 -2.663 -6.566) 8.454 ======================= Grid point 222 (41/80) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.063 1.191 2.630) 3.548 2.055 ( -2.434 -1.405 3.129) 4.206 2.116 ( 9.413 5.435 7.380) 13.138 2.328 ( -2.258 -1.304 3.450) 4.325 2.578 ( 2.613 1.509 -2.251) 3.765 2.848 ( 3.229 1.864 10.555) 11.194 2.987 ( -4.397 -2.539 1.303) 5.242 3.090 ( -4.419 -2.552 1.773) 5.402 3.366 ( 1.991 1.149 7.318) 7.671 4.981 ( 0.506 0.292 0.474) 0.752 5.287 ( -4.929 -2.846 -5.375) 7.829 5.319 ( -2.213 -1.278 1.972) 3.228 5.683 ( -2.854 -1.648 -7.065) 7.796 5.832 ( 3.225 1.862 3.269) 4.956 6.627 ( -1.249 -0.721 13.671) 13.747 6.962 ( 10.462 6.040 2.441) 12.325 7.427 ( 8.161 4.712 4.653) 10.510 7.578 ( 8.735 5.043 -2.520) 10.397 8.196 ( -10.146 -5.858 12.412) 17.068 8.253 ( -6.039 -3.486 -9.889) 12.100 8.951 ( 3.685 2.127 -15.324) 15.904 9.083 ( 8.077 4.663 0.543) 9.342 9.594 ( 5.659 3.267 4.613) 7.998 9.959 ( -22.919 -13.233 4.608) 26.863 10.700 ( 0.274 0.158 -16.633) 16.636 10.858 ( 4.476 2.584 -12.621) 13.638 12.274 ( 0.979 0.565 -4.103) 4.256 12.453 ( 1.182 0.683 12.362) 12.437 12.913 ( 1.906 1.100 3.200) 3.883 14.017 ( 2.506 1.447 12.690) 13.015 17.105 ( 0.041 0.024 0.223) 0.228 17.492 ( 6.959 4.018 -3.134) 8.625 17.738 ( -1.386 -0.800 2.717) 3.153 18.461 ( 0.409 0.236 -10.690) 10.700 18.557 ( 0.543 0.314 8.066) 8.090 19.241 ( -5.527 -3.191 -5.184) 8.222 ======================= Grid point 223 (42/80) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -2.217 -1.280 6.288) 6.789 2.027 ( -4.155 -2.399 -0.553) 4.829 2.253 ( 4.108 2.372 9.543) 10.657 2.408 ( 7.292 4.210 -1.533) 8.558 2.639 ( 2.113 1.220 -0.045) 2.440 2.860 ( -5.340 -3.083 -0.077) 6.167 2.919 ( 1.182 0.682 5.599) 5.763 3.007 ( -1.090 -0.629 6.490) 6.611 3.423 ( 2.200 1.270 8.493) 8.864 4.990 ( -0.183 -0.106 -0.014) 0.212 5.181 ( -3.769 -2.176 -6.854) 8.119 5.301 ( 0.796 0.460 1.187) 1.502 5.650 ( 0.582 0.336 -7.008) 7.041 5.921 ( 4.377 2.527 -0.979) 5.148 6.564 ( -3.445 -1.989 20.001) 20.392 7.074 ( -0.254 -0.147 4.291) 4.301 7.583 ( -7.172 -4.141 5.886) 10.161 7.711 ( -6.061 -3.499 6.783) 9.746 7.799 ( 1.471 0.849 -8.593) 8.760 8.400 ( 13.271 7.662 -0.760) 15.343 9.021 ( 1.803 1.041 -15.538) 15.677 9.281 ( 8.203 4.736 1.178) 9.545 9.516 ( -13.966 -8.063 6.630) 17.436 9.706 ( 2.489 1.437 6.290) 6.915 10.541 ( -9.414 -5.435 -19.046) 21.930 11.078 ( 10.966 6.331 -14.666) 19.376 12.271 ( -1.258 -0.726 -5.364) 5.557 12.450 ( -1.276 -0.737 12.414) 12.501 12.975 ( 2.866 1.654 2.953) 4.435 13.991 ( -4.335 -2.503 15.396) 16.190 17.100 ( -0.431 -0.249 0.119) 0.512 17.608 ( 0.983 0.567 -6.746) 6.840 17.707 ( 0.875 0.505 6.141) 6.224 18.489 ( 1.971 1.138 -8.353) 8.657 18.597 ( 2.557 1.476 3.953) 4.934 19.124 ( -4.357 -2.515 -3.643) 6.212 ======================= Grid point 225 (43/80) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 0.099 0.057 4.946) 4.947 1.896 ( -6.705 -3.871 4.749) 9.083 2.308 ( -0.291 -0.168 6.734) 6.742 2.524 ( 2.273 1.312 -3.240) 4.170 2.668 ( 1.482 0.855 1.029) 1.996 2.802 ( 1.262 0.729 -3.486) 3.779 2.896 ( -0.905 -0.523 5.331) 5.433 3.071 ( 4.135 2.388 9.089) 10.267 3.421 ( -2.996 -1.730 10.042) 10.621 4.968 ( -1.150 -0.664 -0.724) 1.513 5.141 ( 0.123 0.071 -3.560) 3.562 5.347 ( 3.014 1.740 2.426) 4.242 5.723 ( 5.633 3.252 -8.709) 10.870 6.015 ( 3.473 2.005 -3.274) 5.177 6.513 ( -0.249 -0.144 22.482) 22.484 6.849 ( -22.269 -12.857 -0.499) 25.719 7.235 ( -6.641 -3.834 -1.313) 7.780 7.629 ( -6.319 -3.648 6.041) 9.473 7.997 ( 10.274 5.932 1.216) 11.925 8.698 ( 7.186 4.149 -4.105) 9.258 9.012 ( -2.580 -1.490 -15.611) 15.893 9.278 ( -1.106 -0.639 8.628) 8.722 9.494 ( 5.968 3.445 0.229) 6.895 9.718 ( -1.124 -0.649 4.313) 4.504 10.347 ( -6.537 -3.774 -14.656) 16.486 11.336 ( 12.089 6.980 -15.789) 21.075 12.224 ( -2.611 -1.507 -4.041) 5.041 12.401 ( -2.922 -1.687 10.495) 11.024 13.012 ( -0.047 -0.027 3.532) 3.533 13.845 ( -7.993 -4.615 16.335) 18.762 17.086 ( -0.818 -0.472 0.115) 0.951 17.540 ( -4.857 -2.804 -4.571) 7.235 17.766 ( 1.978 1.142 4.168) 4.753 18.526 ( 0.491 0.283 -9.837) 9.853 18.667 ( 3.685 2.127 5.128) 6.663 19.073 ( 0.587 0.339 -3.717) 3.778 ======================= Grid point 226 (44/80) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( -9.426 -5.442 7.683) 13.323 1.755 ( -7.263 -4.193 8.888) 12.220 2.285 ( 0.812 0.469 0.805) 1.235 2.546 ( 0.828 0.478 2.353) 2.539 2.774 ( 7.126 4.114 -4.195) 9.236 2.817 ( -1.355 -0.782 -1.736) 2.336 2.931 ( 3.030 1.749 7.165) 7.974 3.118 ( -1.340 -0.774 10.620) 10.732 3.319 ( -3.538 -2.043 11.039) 11.771 4.962 ( 0.827 0.478 1.263) 1.584 5.164 ( 1.432 0.827 -1.470) 2.212 5.432 ( 4.233 2.444 6.210) 7.903 5.866 ( 5.443 3.142 -9.934) 11.755 6.039 ( -2.739 -1.581 -7.426) 8.072 6.344 ( -16.312 -9.418 -1.927) 18.934 6.573 ( 5.268 3.041 19.083) 20.029 7.188 ( 0.160 0.092 -3.712) 3.717 7.453 ( -8.125 -4.691 -1.283) 9.469 8.207 ( 7.549 4.359 5.814) 10.478 8.626 ( -9.779 -5.646 -1.763) 11.429 8.893 ( -8.345 -4.818 -12.587) 15.852 9.322 ( -1.959 -1.131 0.253) 2.276 9.569 ( 0.570 0.329 -0.947) 1.153 9.766 ( 8.171 4.717 1.634) 9.575 10.297 ( 3.040 1.755 -7.142) 7.958 11.626 ( 13.196 7.619 -15.042) 21.411 12.169 ( -1.851 -1.069 -0.687) 2.245 12.328 ( -3.184 -1.838 8.832) 9.567 12.960 ( -4.552 -2.628 5.742) 7.785 13.654 ( -8.544 -4.933 14.322) 17.391 17.064 ( -1.104 -0.637 0.140) 1.283 17.415 ( -6.158 -3.556 -4.162) 8.240 17.763 ( -2.316 -1.337 3.682) 4.551 18.494 ( -3.032 -1.751 -11.442) 11.966 18.769 ( 5.415 3.127 8.645) 10.669 19.155 ( 6.050 3.493 -5.676) 9.001 ======================= Grid point 227 (45/80) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( -10.163 -5.868 16.218) 20.019 1.524 ( -11.505 -6.642 14.743) 19.846 2.354 ( 3.060 1.767 -2.525) 4.343 2.555 ( -1.947 -1.124 -3.311) 4.002 2.701 ( -7.310 -4.220 16.810) 18.810 2.887 ( -0.109 -0.063 6.698) 6.699 3.005 ( 6.617 3.820 2.059) 7.913 3.109 ( 2.990 1.726 2.561) 4.298 3.301 ( 0.269 0.156 8.520) 8.526 5.018 ( 4.574 2.641 3.248) 6.200 5.192 ( 0.810 0.468 0.250) 0.969 5.489 ( -1.157 -0.668 6.456) 6.592 5.850 ( -2.320 -1.339 -7.451) 7.918 5.992 ( -0.246 -0.142 -14.195) 14.198 6.219 ( 1.431 0.826 -5.321) 5.572 6.725 ( 7.565 4.368 15.164) 17.501 7.173 ( -3.429 -1.980 -5.308) 6.622 7.314 ( -3.355 -1.937 -7.888) 8.788 8.263 ( -4.958 -2.863 3.341) 6.628 8.431 ( -3.777 -2.181 1.038) 4.483 8.646 ( -12.903 -7.449 -6.883) 16.412 9.196 ( -5.970 -3.447 -1.828) 7.132 9.535 ( -2.889 -1.668 -5.596) 6.515 9.954 ( 4.964 2.866 -0.912) 5.805 10.532 ( 17.942 10.359 0.628) 20.727 11.869 ( 5.782 3.339 -15.820) 17.172 12.174 ( 3.023 1.745 5.834) 6.798 12.279 ( -0.441 -0.254 5.514) 5.538 12.832 ( -5.659 -3.267 10.514) 12.379 13.468 ( -7.729 -4.463 9.317) 12.902 17.036 ( -1.348 -0.778 -0.032) 1.556 17.264 ( -7.110 -4.105 -4.709) 9.464 17.665 ( -6.100 -3.522 4.405) 8.308 18.411 ( -3.898 -2.250 -12.511) 13.296 18.910 ( 6.984 4.032 10.091) 12.918 19.307 ( 6.568 3.792 -5.959) 9.646 ======================= Grid point 228 (46/80) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -5.740 -3.314 24.004) 24.903 1.312 ( -5.541 -3.199 23.317) 24.179 2.206 ( -13.612 -7.859 21.824) 26.895 2.517 ( 1.523 0.879 -7.131) 7.345 2.694 ( 3.407 1.967 13.272) 13.843 2.856 ( -1.812 -1.046 4.136) 4.636 3.150 ( 4.633 2.675 2.320) 5.831 3.201 ( 4.298 2.481 -1.786) 5.274 3.296 ( -0.769 -0.444 6.699) 6.757 5.151 ( 2.373 1.370 3.652) 4.566 5.206 ( 3.921 2.264 1.635) 4.814 5.440 ( 0.845 0.488 -1.295) 1.621 5.861 ( -4.753 -2.744 -7.460) 9.261 5.950 ( 1.626 0.939 -7.915) 8.134 6.322 ( 6.932 4.002 -9.769) 12.630 6.857 ( 0.050 0.029 -1.741) 1.742 7.031 ( -5.008 -2.892 -8.567) 10.336 7.271 ( -1.277 -0.737 3.080) 3.415 8.150 ( -1.933 -1.116 0.825) 2.380 8.339 ( -8.756 -5.055 2.583) 10.435 8.372 ( -7.161 -4.135 -3.342) 8.919 9.143 ( 1.977 1.141 -3.301) 4.013 9.444 ( -5.517 -3.185 -3.529) 7.282 10.002 ( 0.615 0.355 -5.544) 5.590 11.020 ( 22.005 12.704 5.807) 26.064 11.884 ( -1.697 -0.980 -11.299) 11.467 12.194 ( -2.491 -1.438 7.810) 8.323 12.336 ( 3.064 1.769 -0.508) 3.574 12.760 ( -1.264 -0.730 14.247) 14.322 13.336 ( -2.546 -1.470 1.441) 3.274 17.004 ( -1.364 -0.788 -0.432) 1.633 17.095 ( -7.457 -4.305 -4.554) 9.740 17.521 ( -5.474 -3.160 8.030) 10.219 18.333 ( -2.722 -1.572 -13.414) 13.777 19.073 ( 6.929 4.001 8.811) 11.902 19.419 ( 2.789 1.610 -4.346) 5.409 ======================= Grid point 230 (47/80) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 3.105 9.815 17.984) 20.722 1.439 ( 6.968 8.714 19.250) 22.250 2.325 ( -1.173 6.148 3.194) 7.027 2.545 ( 1.975 -0.349 -5.261) 5.630 2.705 ( 3.642 -0.018 15.946) 16.357 2.841 ( -5.170 -1.365 5.296) 7.526 2.971 ( -6.551 -1.681 5.495) 8.714 3.211 ( 2.650 -4.248 -0.610) 5.044 3.311 ( 0.935 0.061 7.910) 7.965 5.061 ( -2.472 -6.587 3.479) 7.848 5.237 ( 4.667 -0.494 1.072) 4.814 5.461 ( -0.206 3.514 -0.157) 3.524 5.797 ( -4.297 1.561 -8.356) 9.525 5.995 ( -0.932 1.747 -0.393) 2.019 6.314 ( 6.875 -9.444 -10.134) 15.464 6.683 ( -8.652 -0.248 4.373) 9.697 7.212 ( 5.466 7.023 -10.051) 13.425 7.283 ( 1.617 -1.548 0.860) 2.397 8.238 ( 3.677 5.143 0.898) 6.386 8.395 ( -0.280 6.567 3.499) 7.447 8.526 ( 4.168 10.223 -3.039) 11.451 9.094 ( -3.559 3.403 -5.062) 7.062 9.554 ( 2.177 1.788 -1.983) 3.445 10.007 ( 4.717 -0.301 -6.622) 8.136 10.817 ( 4.864 -23.094 1.235) 23.633 11.628 ( -27.057 -0.240 -3.706) 27.311 12.145 ( -0.758 -5.289 2.190) 5.774 12.342 ( 1.703 4.320 1.502) 4.880 12.936 ( 9.517 -0.284 11.390) 14.846 13.422 ( 6.622 8.664 5.475) 12.202 17.046 ( 2.468 2.236 -0.125) 3.332 17.185 ( 0.942 6.517 -4.233) 7.828 17.620 ( 3.054 6.713 4.760) 8.778 18.381 ( 1.416 3.493 -12.627) 13.178 18.903 ( -8.805 -7.462 10.428) 15.555 19.403 ( 2.019 -5.554 -6.035) 8.447 ======================= Grid point 231 (48/80) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 7.060 6.628 10.593) 14.352 1.694 ( 11.285 9.522 12.333) 19.239 2.346 ( -1.073 2.065 1.336) 2.684 2.464 ( -9.068 -8.323 1.375) 12.385 2.600 ( -4.936 -3.496 -5.257) 8.013 2.765 ( 0.498 -1.225 8.573) 8.674 3.047 ( 1.997 9.065 12.267) 15.384 3.195 ( -0.520 -2.820 -0.265) 2.879 3.321 ( 1.104 -1.230 8.104) 8.270 4.980 ( -1.135 -3.339 1.660) 3.898 5.302 ( 4.296 -3.080 -0.800) 5.346 5.460 ( -3.073 1.496 1.607) 3.777 5.796 ( -3.207 4.114 -9.572) 10.901 5.913 ( -7.457 4.768 10.400) 13.657 6.409 ( 14.654 -5.985 -9.281) 18.349 6.638 ( 0.247 2.682 5.289) 5.935 7.290 ( 1.724 -1.736 2.586) 3.560 7.349 ( 4.786 4.770 -6.160) 9.144 8.281 ( -2.532 2.261 5.448) 6.419 8.482 ( 0.522 7.538 1.588) 7.721 8.712 ( 7.973 6.410 -5.608) 11.666 9.062 ( -4.516 -0.999 -8.818) 9.957 9.525 ( -2.851 3.456 3.846) 5.905 10.209 ( 15.952 -0.305 -11.541) 19.692 10.671 ( -2.447 -16.503 -4.911) 17.391 11.148 ( -24.128 -0.968 1.840) 24.218 12.106 ( 3.232 -8.303 -4.464) 9.966 12.428 ( 1.965 6.661 4.541) 8.298 13.006 ( -2.579 6.834 10.582) 12.859 13.691 ( 14.151 3.943 7.780) 16.623 17.110 ( 1.106 3.300 0.214) 3.487 17.267 ( 3.719 3.692 -2.793) 5.938 17.722 ( 2.032 4.065 2.540) 5.206 18.434 ( 1.136 2.283 -12.121) 12.386 18.692 ( -7.881 -4.471 10.906) 14.179 19.359 ( -0.450 -6.275 -6.594) 9.114 ======================= Grid point 232 (49/80) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 9.955 0.409 2.765) 10.340 1.946 ( 6.147 3.069 7.891) 10.463 2.167 ( -6.459 -3.379 6.264) 9.611 2.378 ( -2.077 -0.179 1.893) 2.816 2.569 ( 0.639 2.331 -3.503) 4.256 2.785 ( 3.398 -1.149 8.508) 9.233 3.081 ( -4.868 3.146 3.471) 6.756 3.138 ( -3.721 -1.346 2.988) 4.958 3.337 ( 2.070 -0.476 7.025) 7.339 4.957 ( 0.999 -1.302 0.224) 1.657 5.305 ( -0.273 -4.156 -9.448) 10.325 5.398 ( -5.192 1.834 7.805) 9.552 5.719 ( -4.504 -0.701 -7.227) 8.544 5.910 ( -4.056 10.274 7.529) 13.367 6.648 ( 6.535 1.449 8.347) 10.700 6.721 ( 12.779 0.683 -2.985) 13.141 7.307 ( 6.553 -4.753 7.343) 10.930 7.518 ( 5.946 9.711 -2.340) 11.625 8.251 ( -1.846 1.218 3.583) 4.211 8.439 ( -13.770 -1.102 -0.081) 13.814 8.812 ( 4.137 -7.172 -10.325) 13.235 9.059 ( 5.833 8.559 -0.831) 10.390 9.600 ( 2.114 9.596 0.668) 9.848 10.215 ( -16.946 -12.481 -2.378) 21.180 10.580 ( 10.927 1.135 -10.666) 15.312 10.871 ( -7.772 -4.166 -6.880) 11.184 12.081 ( 6.304 -13.285 -7.595) 16.550 12.532 ( 0.474 9.623 8.505) 12.852 13.029 ( -4.933 11.655 8.585) 15.293 13.907 ( 9.447 -2.122 10.492) 14.277 17.138 ( -1.476 3.423 0.296) 3.739 17.394 ( 7.353 2.426 -2.246) 8.062 17.755 ( -0.827 0.459 1.839) 2.068 18.454 ( 0.026 -0.186 -12.443) 12.444 18.582 ( -2.515 0.661 10.272) 10.596 19.270 ( -2.779 -5.760 -5.667) 8.546 ======================= Grid point 233 (50/80) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -1.938 -5.131 2.677) 6.103 1.936 ( 6.590 -5.744 2.344) 9.051 2.249 ( 2.511 4.525 8.308) 9.788 2.335 ( 1.395 -0.316 2.781) 3.127 2.633 ( 1.804 3.699 -1.242) 4.298 2.834 ( 3.050 -2.544 6.029) 7.220 2.997 ( -6.634 2.922 0.140) 7.251 3.059 ( -3.729 0.190 6.301) 7.324 3.384 ( 3.218 0.484 6.732) 7.477 4.980 ( 1.603 0.536 -0.629) 1.804 5.219 ( -3.655 -4.026 -10.836) 12.124 5.348 ( -3.387 2.570 4.371) 6.098 5.662 ( -2.403 1.850 -5.880) 6.616 5.967 ( -1.183 9.976 4.293) 10.925 6.642 ( -4.815 1.262 14.316) 15.156 6.926 ( 9.242 -6.540 3.828) 11.951 7.504 ( 17.583 1.511 2.026) 17.764 7.675 ( 1.001 3.536 7.843) 8.661 8.033 ( -23.031 -7.108 -4.890) 24.594 8.296 ( 5.167 4.510 -0.205) 6.861 8.854 ( 8.614 -8.385 -7.560) 14.201 9.290 ( 6.113 13.914 -1.603) 15.282 9.718 ( -2.511 6.562 3.017) 7.646 9.769 ( -17.952 -3.871 2.072) 18.481 10.637 ( -6.905 -4.963 -16.748) 18.784 10.870 ( 13.743 -2.880 -10.444) 17.500 12.059 ( 8.021 -16.239 -9.135) 20.285 12.606 ( -4.663 11.360 11.149) 16.586 13.074 ( -3.652 12.562 6.129) 14.446 13.962 ( 2.380 -6.736 13.368) 15.158 17.137 ( -2.160 2.988 0.248) 3.696 17.540 ( 6.762 1.017 -2.739) 7.366 17.716 ( -2.002 -1.678 1.953) 3.262 18.457 ( 1.358 -0.479 -9.859) 9.963 18.593 ( 0.735 2.741 6.044) 6.677 19.163 ( -3.658 -4.119 -4.102) 6.869 ======================= Grid point 234 (51/80) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.996 -3.590 3.673) 5.232 1.959 ( -0.739 -2.401 2.873) 3.816 2.263 ( 2.477 -2.407 7.354) 8.125 2.419 ( 5.195 -2.057 0.894) 5.659 2.651 ( -1.795 -1.116 1.177) 2.419 2.817 ( 0.059 -2.985 -0.349) 3.006 2.951 ( -3.680 5.810 1.912) 7.138 3.071 ( 1.703 5.289 8.850) 10.450 3.426 ( 0.916 -1.202 7.558) 7.708 4.986 ( -1.554 -0.438 -1.974) 2.550 5.157 ( -0.765 0.256 -6.549) 6.598 5.340 ( 0.205 2.115 1.583) 2.650 5.693 ( 1.934 5.701 -6.230) 8.664 6.045 ( -0.749 8.005 1.753) 8.229 6.565 ( -4.435 1.523 16.133) 16.801 6.896 ( -2.652 -14.105 4.575) 15.064 7.422 ( -17.345 -10.142 1.894) 20.182 7.726 ( -6.688 2.011 8.284) 10.835 7.871 ( 11.308 6.368 -3.451) 13.429 8.535 ( 14.545 4.741 -3.454) 15.683 8.901 ( 6.754 -9.735 -8.838) 14.781 9.367 ( -12.018 -2.694 7.666) 14.507 9.554 ( 0.384 15.067 -4.096) 15.618 9.788 ( -2.731 6.065 3.278) 7.415 10.445 ( -8.375 -3.810 -16.533) 18.920 11.095 ( 16.362 -4.424 -10.779) 20.087 12.035 ( 7.714 -15.762 -10.336) 20.367 12.587 ( -9.246 9.439 10.563) 16.916 13.136 ( -4.380 12.361 5.976) 14.411 13.874 ( -2.928 -8.854 15.072) 17.723 17.126 ( -2.420 2.710 0.197) 3.638 17.565 ( -2.188 -4.217 -3.666) 6.001 17.728 ( 3.664 0.987 2.956) 4.810 18.488 ( 2.612 -1.035 -9.903) 10.294 18.640 ( 1.688 1.939 5.040) 5.658 19.088 ( -1.634 -0.473 -3.357) 3.763 ======================= Grid point 235 (52/80) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.276 -5.267 4.040) 6.759 1.870 ( -8.469 0.496 8.058) 11.700 2.283 ( 1.509 -1.485 5.228) 5.641 2.468 ( 6.726 -5.431 -1.402) 8.758 2.617 ( 1.774 -2.155 -0.431) 2.824 2.795 ( 1.123 -3.837 1.917) 4.434 2.994 ( -0.248 8.552 1.741) 8.731 3.160 ( 0.969 5.427 8.456) 10.094 3.368 ( -4.537 -3.710 9.424) 11.098 4.955 ( -0.315 -0.833 -0.883) 1.255 5.172 ( -0.004 2.984 -2.913) 4.171 5.397 ( 3.013 2.972 4.063) 5.867 5.829 ( 6.164 6.495 -10.510) 13.807 6.070 ( -3.038 2.968 2.131) 4.752 6.505 ( -13.867 -15.113 2.102) 20.619 6.578 ( -3.972 3.028 12.744) 13.688 7.207 ( -2.878 -1.263 0.379) 3.166 7.562 ( -9.715 -2.766 1.799) 10.260 8.129 ( 8.802 7.416 2.805) 11.847 8.711 ( 0.196 -1.911 -2.195) 2.917 8.873 ( 0.140 -8.903 -11.303) 14.389 9.223 ( 2.818 -6.774 5.803) 9.354 9.644 ( -5.872 6.600 2.564) 9.199 9.814 ( -1.179 11.622 -7.487) 13.875 10.340 ( -2.653 3.806 -9.055) 10.174 11.336 ( 18.534 -7.310 -6.958) 21.104 12.019 ( 6.446 -11.276 -11.083) 17.074 12.498 ( -9.494 6.156 8.275) 14.018 13.134 ( -9.132 9.307 8.359) 15.488 13.722 ( -5.351 -6.408 13.933) 16.242 17.108 ( -2.736 2.598 0.203) 3.778 17.456 ( -4.269 -5.552 -3.330) 7.755 17.777 ( 0.502 0.126 2.885) 2.931 18.503 ( 0.242 -2.006 -11.864) 12.035 18.685 ( 3.754 -0.908 8.230) 9.091 19.123 ( 3.305 4.604 -4.801) 7.427 ======================= Grid point 236 (53/80) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -8.446 -4.663 10.789) 14.473 1.670 ( -13.296 -2.569 11.754) 17.932 2.324 ( 2.366 2.831 -0.735) 3.762 2.529 ( 3.346 -2.244 1.332) 4.244 2.684 ( 9.484 -5.718 -3.880) 11.734 2.783 ( 1.724 -3.081 6.454) 7.357 3.053 ( -5.321 4.484 7.982) 10.589 3.146 ( -3.098 2.765 6.044) 7.333 3.299 ( 0.412 0.149 9.061) 9.071 4.971 ( 2.638 0.343 1.697) 3.155 5.208 ( 0.110 3.787 -0.681) 3.849 5.475 ( 2.522 1.429 5.935) 6.605 5.926 ( -4.242 -6.698 -11.633) 14.078 6.008 ( -3.756 5.319 -4.815) 8.098 6.196 ( -0.815 -2.198 0.496) 2.396 6.642 ( 2.904 2.030 10.745) 11.314 7.211 ( 1.080 2.817 -0.697) 3.097 7.381 ( -7.797 -2.758 -5.124) 9.729 8.284 ( 2.389 2.697 3.738) 5.192 8.555 ( -11.356 -2.326 0.961) 11.632 8.734 ( -6.698 -7.573 -7.108) 12.358 9.194 ( -0.277 -8.934 -6.001) 10.766 9.587 ( -1.980 -0.955 4.345) 4.869 9.942 ( 0.466 12.066 -7.906) 14.433 10.452 ( 6.981 12.644 -3.935) 14.970 11.549 ( 18.573 -15.866 -2.095) 24.517 12.050 ( 5.532 -2.500 -8.231) 10.228 12.410 ( -6.427 3.936 4.868) 8.972 13.019 ( -11.001 4.776 11.754) 16.793 13.578 ( -8.010 -0.594 10.029) 12.849 17.083 ( -3.067 2.242 0.142) 3.802 17.321 ( -5.152 -5.295 -3.547) 8.196 17.737 ( -4.473 -1.174 3.054) 5.542 18.455 ( -3.133 -1.828 -12.138) 12.669 18.770 ( 8.267 -2.689 10.024) 13.269 19.262 ( 5.607 6.362 -6.114) 10.454 ======================= Grid point 241 (54/80) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 1.400 3.239 5.262) 6.335 1.896 ( 7.121 8.518 8.925) 14.245 2.246 ( -8.106 -7.352 4.282) 11.752 2.387 ( -2.619 -2.029 0.694) 3.385 2.592 ( -0.155 2.083 -3.284) 3.892 2.746 ( -0.466 -0.248 5.917) 5.940 3.108 ( 1.542 -2.704 1.832) 3.612 3.228 ( -1.117 2.721 7.470) 8.028 3.295 ( 0.526 1.219 7.486) 7.603 4.942 ( -0.371 -0.381 -0.573) 0.782 5.244 ( 2.921 -2.722 -4.889) 6.313 5.443 ( -0.666 -2.974 4.387) 5.342 5.830 ( -6.271 1.035 -5.606) 8.475 6.118 ( -4.942 9.010 8.460) 13.311 6.345 ( 15.543 3.753 -4.113) 16.510 6.679 ( 5.163 1.816 5.302) 7.620 7.196 ( -0.000 -3.618 6.453) 7.398 7.529 ( 5.219 10.881 -1.200) 12.128 8.251 ( 0.382 -6.403 0.364) 6.425 8.617 ( -5.319 4.027 2.672) 7.186 8.765 ( -4.391 -2.752 -9.698) 10.995 9.084 ( -1.605 6.932 2.849) 7.665 9.665 ( 2.525 9.510 -1.155) 9.907 10.112 ( 12.744 -8.017 -11.668) 19.048 10.461 ( 3.601 -6.089 -6.764) 9.788 11.082 ( -21.384 -5.694 3.866) 22.464 11.924 ( -2.507 -8.966 -16.546) 18.986 12.574 ( 5.915 8.565 6.706) 12.382 13.204 ( 0.856 11.206 14.490) 18.337 13.713 ( 8.046 -1.007 8.620) 11.834 17.166 ( 3.306 2.073 0.428) 3.925 17.356 ( -0.196 5.395 -2.333) 5.882 17.772 ( -0.457 0.524 1.698) 1.835 18.466 ( -1.254 0.644 -13.103) 13.179 18.641 ( -3.931 -0.620 10.475) 11.205 19.220 ( 0.952 -7.085 -5.498) 9.018 ======================= Grid point 242 (55/80) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 4.205 -3.628 -0.378) 5.567 1.906 ( -5.439 -4.490 6.718) 9.740 2.204 ( 5.364 3.360 5.433) 8.342 2.343 ( -1.945 -1.200 5.248) 5.723 2.637 ( 1.611 2.309 -0.089) 2.817 2.771 ( 2.460 0.626 3.540) 4.356 3.087 ( -1.555 -0.268 3.211) 3.578 3.165 ( -6.369 1.727 5.625) 8.671 3.332 ( 2.375 0.034 4.831) 5.383 4.959 ( 1.658 1.720 -2.716) 3.617 5.223 ( -1.634 -4.280 -10.268) 11.243 5.397 ( -1.399 -2.143 2.157) 3.348 5.777 ( -4.457 6.065 -1.742) 7.726 6.125 ( -4.470 10.706 9.555) 15.030 6.562 ( 9.522 -7.154 6.346) 13.495 6.859 ( 3.925 11.542 -0.624) 12.207 7.204 ( 10.425 -4.209 9.410) 14.661 7.709 ( 1.363 5.812 6.940) 9.155 8.172 ( -0.536 -7.666 -7.351) 10.635 8.422 ( -15.876 0.375 1.301) 15.934 8.660 ( 3.383 -7.504 -2.595) 8.630 9.302 ( 8.609 14.910 1.627) 17.294 9.804 ( 1.239 9.889 -3.676) 10.622 10.039 ( -12.696 -5.833 -5.912) 15.171 10.533 ( 11.229 -4.920 -9.370) 15.431 10.768 ( -8.883 -6.328 -1.670) 11.034 11.809 ( 2.104 -12.914 -19.300) 23.317 12.760 ( 2.351 13.027 10.317) 16.783 13.275 ( -4.841 11.830 12.645) 17.980 13.799 ( 6.768 -8.276 9.728) 14.455 17.210 ( -1.213 3.459 0.581) 3.711 17.442 ( 5.276 2.809 -1.151) 6.087 17.732 ( -2.413 -2.906 -0.092) 3.779 18.446 ( -0.477 -0.387 -12.095) 12.110 18.617 ( -0.673 2.136 8.250) 8.548 19.158 ( -1.031 -4.979 -4.108) 6.536 ======================= Grid point 243 (56/80) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 1.364 -5.744 -0.623) 5.937 1.868 ( 4.112 -1.646 5.247) 6.866 2.241 ( -0.627 -4.145 4.273) 5.986 2.358 ( 1.698 3.118 7.170) 8.001 2.659 ( 0.157 -1.627 2.549) 3.028 2.799 ( -0.219 -0.195 0.443) 0.531 3.070 ( -3.187 3.193 3.676) 5.819 3.107 ( -1.583 4.452 5.912) 7.569 3.373 ( 2.970 -1.848 4.629) 5.802 5.007 ( -0.104 1.650 -3.858) 4.198 5.149 ( -0.185 -2.602 -10.411) 10.733 5.361 ( -1.002 -0.493 -0.636) 1.285 5.787 ( -3.127 8.636 -0.256) 9.189 6.167 ( -3.131 9.587 8.990) 13.510 6.574 ( 2.637 -8.858 5.392) 10.700 6.898 ( -6.855 6.293 10.247) 13.842 7.467 ( 5.592 -8.687 2.386) 10.603 7.591 ( 5.546 -6.262 6.136) 10.374 8.057 ( -14.243 7.419 1.121) 16.098 8.383 ( 7.931 4.294 -5.410) 10.516 8.669 ( 7.280 -10.429 -2.308) 12.926 9.554 ( -2.221 8.698 2.299) 9.267 9.724 ( -9.539 5.997 0.412) 11.275 9.909 ( -2.817 7.534 -4.881) 9.408 10.531 ( -6.118 -5.466 -14.213) 16.411 10.752 ( 14.562 -8.005 -2.913) 16.871 11.757 ( 6.682 -12.658 -20.658) 25.132 12.849 ( -7.702 12.016 12.580) 19.025 13.318 ( -2.534 11.182 9.992) 15.208 13.776 ( 2.278 -11.222 11.456) 16.198 17.208 ( -2.849 3.871 0.567) 4.840 17.537 ( 1.926 -1.325 0.296) 2.356 17.675 ( 1.323 -2.044 -1.898) 3.087 18.448 ( 0.965 -0.449 -11.820) 11.868 18.638 ( 0.604 1.366 6.963) 7.122 19.102 ( -1.090 -1.701 -3.035) 3.647 ======================= Grid point 245 (57/80) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 1.427 -2.603 1.099) 3.165 1.940 ( 3.906 -0.505 5.897) 7.091 2.193 ( -0.089 -2.617 4.872) 5.532 2.376 ( 0.444 -2.208 4.449) 4.987 2.630 ( -1.772 -0.175 1.660) 2.434 2.769 ( -1.689 -1.334 0.711) 2.267 3.063 ( -0.832 3.833 2.618) 4.715 3.175 ( 2.548 4.483 7.853) 9.395 3.369 ( -0.414 -4.340 4.798) 6.483 4.966 ( -2.474 -1.155 -3.804) 4.683 5.190 ( 2.302 2.375 -7.220) 7.942 5.375 ( 2.270 1.716 0.955) 3.001 5.825 ( -0.342 3.916 -2.628) 4.729 6.181 ( -4.047 5.392 9.075) 11.305 6.507 ( -1.696 -8.335 2.047) 8.749 6.776 ( -13.508 5.746 7.706) 16.579 7.222 ( -4.141 -9.070 6.074) 11.675 7.733 ( -7.528 -0.640 5.739) 9.488 8.038 ( 8.776 9.030 -2.878) 12.917 8.580 ( 9.368 0.493 -4.636) 10.464 8.693 ( 8.330 -11.019 -1.668) 13.914 9.315 ( -15.940 -1.741 5.792) 17.048 9.824 ( -6.427 4.815 -6.327) 10.224 9.940 ( 1.659 12.766 -4.667) 13.693 10.415 ( -2.880 0.967 -11.070) 11.479 10.933 ( 16.610 -10.675 0.612) 19.754 11.792 ( 8.862 -6.841 -21.404) 24.155 12.748 ( -12.735 5.469 9.983) 17.081 13.356 ( -6.278 6.300 13.102) 15.835 13.704 ( 0.677 -4.824 10.141) 11.250 17.194 ( -3.191 3.560 0.511) 4.808 17.468 ( -3.767 -4.755 -1.477) 6.243 17.738 ( 4.165 0.055 0.336) 4.179 18.462 ( 1.561 -1.290 -12.187) 12.354 18.648 ( 0.146 -1.036 7.796) 7.866 19.112 ( 2.286 2.498 -3.768) 5.066 ======================= Grid point 253 (58/80) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -1.062 -2.543 -1.765) 3.273 1.847 ( -1.828 -1.532 7.126) 7.514 2.198 ( 0.104 -1.339 2.665) 2.984 2.387 ( 0.681 2.772 7.415) 7.945 2.634 ( -0.200 -1.134 4.435) 4.582 2.803 ( 0.861 1.397 -0.102) 1.644 3.103 ( 0.850 1.290 6.249) 6.437 3.173 ( -0.066 -0.453 4.049) 4.075 3.331 ( -1.045 -0.357 3.082) 3.274 5.020 ( 1.945 4.012 -6.210) 7.645 5.131 ( -2.211 -4.763 -9.929) 11.232 5.359 ( -0.102 -0.928 -1.117) 1.456 5.883 ( 1.076 3.142 0.431) 3.348 6.294 ( 2.137 5.564 12.439) 13.793 6.437 ( -1.484 -4.468 6.518) 8.041 7.113 ( 12.722 8.138 2.983) 15.394 7.197 ( -2.258 9.237 7.874) 12.346 7.559 ( -10.547 -18.269 5.078) 21.697 8.193 ( 9.984 8.658 0.074) 13.215 8.442 ( -11.604 1.332 -4.046) 12.361 8.488 ( 0.984 -10.277 -0.914) 10.364 9.601 ( 7.842 13.923 2.500) 16.174 9.896 ( -1.013 -3.619 -0.825) 3.847 9.970 ( -0.532 -0.446 -7.873) 7.903 10.472 ( 3.642 0.947 -9.082) 9.830 10.631 ( -7.435 -7.001 -0.565) 10.228 11.625 ( -2.762 -5.060 -26.644) 27.260 12.993 ( 5.414 8.709 14.021) 17.370 13.440 ( -1.129 3.417 15.054) 15.479 13.636 ( -0.210 -5.542 6.010) 8.177 17.259 ( 1.087 1.396 0.875) 1.974 17.508 ( 1.505 3.437 2.424) 4.467 17.654 ( -2.389 -4.144 -4.638) 6.662 18.441 ( -0.253 -0.124 -12.983) 12.986 18.644 ( -0.127 0.471 7.954) 7.969 19.095 ( -0.195 -1.337 -2.719) 3.036 ======================= Grid point 327 (59/80) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 0.000 -0.000 14.444) 14.444 1.827 ( 0.000 -0.000 23.736) 23.736 2.224 ( 0.000 0.000 -11.121) 11.121 2.325 ( -0.000 0.000 -9.560) 9.560 2.991 ( -0.000 0.000 11.973) 11.973 3.016 ( 0.000 0.000 8.320) 8.320 3.225 ( 0.000 -0.000 -1.566) 1.566 3.232 ( 0.000 0.000 -0.007) 0.007 3.405 ( 0.000 0.000 4.165) 4.165 5.126 ( 0.000 0.000 -0.331) 0.331 5.444 ( 0.000 0.000 5.504) 5.504 5.486 ( 0.000 0.000 -3.140) 3.140 5.583 ( -0.000 0.000 1.029) 1.029 5.902 ( -0.000 -0.000 0.399) 0.399 6.183 ( -0.000 0.000 -23.267) 23.267 6.322 ( -0.000 0.000 -2.797) 2.797 7.224 ( -0.000 0.000 7.462) 7.462 7.320 ( -0.000 0.000 -0.882) 0.882 8.165 ( -0.000 0.000 1.450) 1.450 8.219 ( -0.000 0.000 -3.475) 3.475 8.318 ( 0.000 -0.000 6.810) 6.810 8.787 ( -0.000 0.000 -15.579) 15.579 9.649 ( -0.000 -0.000 13.196) 13.196 9.864 ( 0.000 0.000 -7.790) 7.790 11.451 ( 0.000 0.000 8.989) 8.989 11.673 ( 0.000 0.000 -11.309) 11.309 12.260 ( 0.000 -0.000 4.944) 4.944 12.351 ( 0.000 0.000 -2.372) 2.372 12.988 ( 0.000 -0.000 12.065) 12.065 13.203 ( -0.000 0.000 -8.297) 8.297 16.971 ( 0.000 0.000 -0.326) 0.326 16.973 ( -0.000 0.000 -0.465) 0.465 17.692 ( 0.000 -0.000 11.287) 11.287 18.014 ( -0.000 0.000 -12.543) 12.543 19.289 ( -0.000 0.000 4.744) 4.744 19.376 ( 0.000 0.000 -3.475) 3.475 ======================= Grid point 328 (60/80) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 2.309 1.333 14.060) 14.311 1.837 ( 1.604 0.926 22.197) 22.274 2.186 ( -2.319 -1.339 -11.980) 12.275 2.355 ( 2.365 1.366 -10.044) 10.408 2.992 ( -2.019 -1.166 7.610) 7.959 3.019 ( -1.488 -0.859 6.957) 7.166 3.132 ( -3.937 -2.273 4.705) 6.542 3.246 ( 0.587 0.339 -0.604) 0.908 3.427 ( 1.574 0.909 3.758) 4.175 5.178 ( 3.636 2.099 -1.740) 4.545 5.295 ( -6.946 -4.010 5.952) 9.988 5.467 ( -1.156 -0.667 -0.142) 1.342 5.603 ( -1.920 -1.109 -3.342) 4.010 6.003 ( 7.960 4.596 4.247) 10.126 6.204 ( 1.186 0.685 -19.227) 19.276 6.398 ( 5.461 3.153 -3.722) 7.322 7.152 ( -4.847 -2.798 6.267) 8.402 7.319 ( 0.259 0.149 -2.632) 2.649 8.191 ( 2.687 1.551 2.292) 3.857 8.296 ( 7.004 4.044 -4.475) 9.243 8.439 ( 7.981 4.608 9.051) 12.917 8.772 ( -1.117 -0.645 -15.337) 15.391 9.680 ( 2.266 1.309 11.041) 11.347 9.863 ( 0.383 0.221 -7.001) 7.015 11.283 ( -14.322 -8.269 3.683) 16.942 11.516 ( -10.360 -5.982 -5.162) 13.029 12.273 ( -2.424 -1.399 0.701) 2.885 12.347 ( 2.006 1.158 3.166) 3.923 13.094 ( 2.870 1.657 3.328) 4.696 13.269 ( 10.548 6.090 -1.059) 12.226 17.002 ( 2.432 1.404 -0.025) 2.809 17.024 ( 4.073 2.351 -1.391) 4.904 17.732 ( 3.275 1.891 11.186) 11.808 18.046 ( 2.725 1.573 -12.668) 13.053 19.204 ( -7.147 -4.126 6.399) 10.443 19.353 ( -1.916 -1.106 -5.028) 5.493 ======================= Grid point 329 (61/80) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 2.458 1.419 10.970) 11.331 1.897 ( 3.330 1.923 13.502) 14.039 2.197 ( 3.835 2.214 -7.667) 8.854 2.410 ( 2.433 1.405 -7.907) 8.391 2.779 ( -14.155 -8.172 4.040) 16.837 2.951 ( -2.217 -1.280 3.935) 4.694 3.154 ( 0.700 0.404 5.004) 5.069 3.257 ( 0.564 0.326 3.253) 3.317 3.461 ( 1.174 0.678 3.705) 3.945 5.133 ( -4.353 -2.513 4.070) 6.467 5.266 ( -1.049 -0.606 -3.432) 3.640 5.512 ( 6.356 3.670 5.569) 9.214 5.565 ( -0.632 -0.365 -4.347) 4.408 6.053 ( -7.094 -4.096 0.278) 8.196 6.230 ( 5.330 3.077 -14.860) 16.084 6.621 ( 13.492 7.789 9.239) 18.112 7.095 ( 0.818 0.472 -1.648) 1.900 7.333 ( 1.116 0.644 -5.181) 5.339 8.255 ( 2.247 1.297 1.885) 3.207 8.497 ( 7.675 4.431 -4.388) 9.889 8.579 ( 4.458 2.574 9.754) 11.029 8.792 ( 4.216 2.434 -9.824) 10.964 9.653 ( -5.133 -2.964 5.392) 8.013 9.971 ( 9.526 5.500 -5.015) 12.089 10.890 ( -18.395 -10.620 -9.679) 23.341 11.246 ( -14.033 -8.102 8.475) 18.286 12.201 ( -2.149 -1.241 -0.730) 2.587 12.441 ( 5.358 3.093 3.924) 7.326 13.055 ( -3.316 -1.915 0.503) 3.862 13.631 ( 17.161 9.908 1.285) 19.858 17.059 ( 2.176 1.257 -0.326) 2.534 17.139 ( 5.947 3.433 -1.280) 6.985 17.821 ( 4.116 2.376 11.241) 12.205 18.119 ( 3.230 1.865 -12.756) 13.290 19.008 ( -9.181 -5.301 8.629) 13.669 19.288 ( -3.677 -2.123 -7.421) 8.550 ======================= Grid point 330 (62/80) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 4.277 2.469 4.670) 6.797 1.994 ( 5.278 3.047 3.900) 7.235 2.315 ( 4.879 2.817 -1.664) 5.874 2.466 ( -9.944 -5.741 3.900) 12.127 2.473 ( 1.265 0.730 0.892) 1.711 2.914 ( -0.799 -0.461 0.177) 0.939 3.110 ( -3.971 -2.293 0.691) 4.637 3.251 ( -1.648 -0.951 5.485) 5.806 3.481 ( 0.882 0.509 4.490) 4.604 5.064 ( -1.846 -1.066 4.694) 5.155 5.192 ( -4.715 -2.722 -6.482) 8.465 5.521 ( -1.532 -0.884 -1.460) 2.294 5.668 ( 1.367 0.789 5.849) 6.059 5.847 ( -6.974 -4.026 -2.611) 8.465 6.462 ( 15.545 8.975 -8.577) 19.894 6.897 ( 8.135 4.697 13.283) 16.269 7.225 ( 11.861 6.848 -4.029) 14.276 7.369 ( 1.995 1.152 -6.085) 6.506 8.246 ( -3.934 -2.271 -0.696) 4.596 8.547 ( 0.521 0.301 2.722) 2.788 8.720 ( 3.032 1.750 -1.206) 3.703 8.918 ( 6.810 3.932 3.449) 8.586 9.544 ( -2.007 -1.159 0.416) 2.354 10.205 ( 7.965 4.598 -9.335) 13.105 10.490 ( -15.732 -9.083 -9.108) 20.321 10.913 ( -13.927 -8.040 8.876) 18.368 12.183 ( 0.180 0.104 -2.142) 2.152 12.572 ( 5.924 3.420 4.216) 8.036 12.987 ( -2.438 -1.408 2.702) 3.902 13.971 ( 12.368 7.140 0.433) 14.288 17.094 ( 0.926 0.535 -0.562) 1.208 17.284 ( 6.657 3.843 -0.865) 7.735 17.895 ( 1.882 1.086 11.629) 11.830 18.173 ( 1.420 0.820 -12.755) 12.860 18.830 ( -5.877 -3.393 9.327) 11.534 19.195 ( -4.340 -2.506 -8.542) 9.904 ======================= Grid point 331 (63/80) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 1.969 1.137 -0.129) 2.278 2.095 ( 1.411 0.815 -0.150) 1.637 2.280 ( -1.004 -0.579 7.656) 7.743 2.398 ( 1.156 0.667 1.915) 2.334 2.564 ( 4.423 2.554 1.674) 5.374 2.915 ( 0.224 0.129 -4.703) 4.710 2.996 ( -5.553 -3.206 1.193) 6.522 3.199 ( -2.135 -1.233 5.988) 6.475 3.515 ( 2.355 1.359 5.665) 6.284 5.035 ( -1.887 -1.089 0.129) 2.182 5.080 ( -3.727 -2.152 -3.067) 5.285 5.485 ( -1.536 -0.887 -4.665) 4.991 5.568 ( -5.520 -3.187 8.021) 10.245 5.802 ( 0.053 0.030 -4.770) 4.770 6.866 ( 16.602 9.585 2.777) 19.370 6.987 ( 1.847 1.066 5.408) 5.813 7.421 ( 3.362 1.941 -7.952) 8.849 7.587 ( 17.114 9.881 2.377) 19.904 8.075 ( -10.865 -6.273 -2.260) 12.748 8.473 ( -7.988 -4.612 9.345) 13.130 8.733 ( 1.602 0.925 -4.272) 4.655 9.105 ( 8.587 4.958 3.691) 10.581 9.602 ( 6.025 3.479 -3.961) 8.006 10.026 ( -16.343 -9.436 -0.296) 18.874 10.375 ( -3.938 -2.274 -12.707) 13.496 10.723 ( -0.222 -0.128 2.391) 2.405 12.190 ( 0.167 0.096 -2.750) 2.757 12.687 ( 3.533 2.040 6.173) 7.399 12.953 ( -0.351 -0.203 1.658) 1.707 14.175 ( 5.448 3.146 2.120) 6.639 17.105 ( 0.175 0.101 -0.280) 0.346 17.428 ( 5.609 3.238 -1.591) 6.669 17.895 ( -1.526 -0.881 10.501) 10.648 18.195 ( 0.832 0.480 -11.896) 11.935 18.755 ( -0.935 -0.540 8.603) 8.671 19.099 ( -4.020 -2.321 -7.711) 9.000 ======================= Grid point 332 (64/80) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -1.021 -0.590 1.097) 1.611 2.072 ( -1.548 -0.894 3.520) 3.948 2.349 ( 3.589 2.072 -1.771) 4.507 2.414 ( 0.714 0.412 3.113) 3.221 2.654 ( 3.354 1.936 0.606) 3.920 2.834 ( -6.109 -3.527 0.345) 7.062 2.950 ( 0.776 0.448 -0.957) 1.311 3.181 ( 0.822 0.475 5.321) 5.405 3.570 ( 1.599 0.923 4.324) 4.701 4.963 ( -2.091 -1.207 -4.689) 5.274 5.064 ( 0.558 0.322 3.108) 3.174 5.464 ( 0.002 0.001 -6.530) 6.530 5.503 ( -0.077 -0.045 8.580) 8.580 5.817 ( 1.466 0.846 -7.017) 7.218 6.960 ( -1.722 -0.994 13.035) 13.186 7.127 ( 2.788 1.610 5.165) 6.086 7.456 ( -7.493 -4.326 -13.515) 16.047 7.774 ( -2.195 -1.267 2.262) 3.397 7.925 ( 2.254 1.301 8.652) 9.035 8.386 ( 5.548 3.203 -0.651) 6.439 8.772 ( 0.874 0.505 -6.561) 6.638 9.263 ( 4.611 2.662 -1.812) 5.625 9.652 ( -9.013 -5.204 5.116) 11.597 9.805 ( 3.745 2.162 2.020) 4.773 10.230 ( -4.983 -2.877 -8.405) 10.186 10.808 ( 5.079 2.932 -8.064) 9.971 12.186 ( -0.500 -0.289 -2.251) 2.324 12.708 ( -1.611 -0.930 9.341) 9.525 12.978 ( 2.127 1.228 -2.233) 3.320 14.216 ( -1.671 -0.965 5.481) 5.810 17.104 ( -0.254 -0.147 0.160) 0.334 17.504 ( 0.327 0.189 -2.656) 2.682 17.874 ( 0.767 0.443 8.621) 8.666 18.212 ( 0.554 0.320 -11.964) 11.981 18.772 ( 2.057 1.188 7.246) 7.626 19.020 ( -2.744 -1.584 -5.137) 6.036 ======================= Grid point 334 (65/80) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.004 -0.580 1.848) 2.181 2.026 ( -2.909 -1.679 5.883) 6.774 2.386 ( -2.424 -1.399 0.556) 2.853 2.439 ( 3.730 2.153 -4.714) 6.385 2.658 ( -3.909 -2.257 -6.244) 7.705 2.771 ( 2.155 1.244 6.684) 7.132 2.991 ( 2.911 1.681 2.590) 4.244 3.230 ( 2.948 1.702 3.623) 4.971 3.561 ( -2.290 -1.322 2.248) 3.471 4.972 ( 2.517 1.453 0.677) 2.985 5.085 ( 1.378 0.796 1.657) 2.298 5.493 ( 2.582 1.491 -4.787) 5.639 5.560 ( 4.728 2.730 6.443) 8.445 5.866 ( 2.360 1.363 -9.629) 10.007 6.824 ( -17.608 -10.166 3.503) 20.631 6.990 ( -7.056 -4.073 13.182) 15.496 7.230 ( -4.288 -2.476 2.807) 5.691 7.641 ( -11.881 -6.860 -3.122) 14.070 8.069 ( 10.310 5.953 2.451) 12.155 8.598 ( 5.733 3.310 -4.888) 8.229 8.767 ( -0.224 -0.129 -6.734) 6.739 9.297 ( -1.663 -0.960 -12.951) 13.092 9.463 ( -5.000 -2.886 8.068) 9.920 9.910 ( 4.792 2.766 9.508) 11.001 10.212 ( 1.567 0.905 1.706) 2.487 10.954 ( 9.029 5.213 -17.068) 20.001 12.171 ( -0.694 -0.401 -0.957) 1.249 12.636 ( -4.231 -2.443 9.148) 10.371 13.019 ( 1.087 0.627 -2.770) 3.041 14.109 ( -7.490 -4.324 8.111) 11.857 17.094 ( -0.622 -0.359 0.604) 0.938 17.446 ( -4.706 -2.717 -3.181) 6.297 17.920 ( 2.075 1.198 9.027) 9.339 18.215 ( -0.455 -0.263 -14.446) 14.456 18.841 ( 4.125 2.381 4.965) 6.880 18.989 ( 0.315 0.182 -1.798) 1.834 ======================= Grid point 335 (66/80) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -2.633 -1.520 3.217) 4.427 1.942 ( -4.333 -2.502 7.549) 9.057 2.285 ( -4.522 -2.611 0.471) 5.243 2.508 ( -2.495 -1.441 -4.874) 5.662 2.643 ( 7.039 4.064 -8.044) 11.435 2.844 ( 3.694 2.133 4.474) 6.181 3.072 ( 3.903 2.254 5.042) 6.763 3.281 ( 0.700 0.404 3.425) 3.519 3.496 ( -2.686 -1.551 3.885) 4.971 5.046 ( 3.484 2.011 5.315) 6.666 5.130 ( 2.588 1.494 0.193) 2.994 5.578 ( 4.768 2.753 -6.695) 8.668 5.688 ( 5.969 3.446 7.320) 10.054 5.865 ( -5.072 -2.928 -8.814) 10.582 6.342 ( -17.286 -9.980 2.001) 20.060 6.956 ( 1.462 0.844 12.957) 13.067 7.160 ( -3.533 -2.040 2.583) 4.828 7.332 ( -13.536 -7.815 -8.404) 17.746 8.282 ( 7.516 4.339 -0.374) 8.687 8.537 ( -7.699 -4.445 -1.961) 9.103 8.749 ( -3.554 -2.052 -3.229) 5.222 9.134 ( -10.531 -6.080 -13.659) 18.288 9.531 ( 7.463 4.309 0.758) 8.651 9.994 ( -0.044 -0.025 11.945) 11.945 10.290 ( 8.988 5.189 6.287) 12.135 11.229 ( 14.173 8.183 -18.865) 24.974 12.163 ( 0.186 0.107 -0.018) 0.216 12.532 ( -4.706 -2.717 7.431) 9.206 13.021 ( -0.725 -0.419 0.101) 0.843 13.892 ( -11.408 -6.586 7.751) 15.284 17.075 ( -1.088 -0.628 0.890) 1.539 17.317 ( -6.366 -3.675 -3.747) 8.250 17.924 ( -1.993 -1.150 10.337) 10.590 18.186 ( -2.215 -1.279 -15.178) 15.392 18.960 ( 6.239 3.602 3.878) 8.182 19.044 ( 4.538 2.620 -1.112) 5.357 ======================= Grid point 336 (67/80) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -1.955 -1.129 8.660) 8.949 1.832 ( -4.751 -2.743 14.387) 15.398 2.236 ( 0.187 0.108 -6.966) 6.969 2.401 ( -5.370 -3.101 -8.210) 10.288 2.863 ( 9.699 5.600 -2.583) 11.493 2.934 ( 4.642 2.680 3.760) 6.547 3.147 ( 2.219 1.281 5.100) 5.707 3.238 ( -3.851 -2.223 6.421) 7.810 3.457 ( -1.105 -0.638 4.424) 4.604 5.128 ( 4.039 2.332 5.687) 7.355 5.193 ( 2.582 1.491 1.309) 3.256 5.601 ( -10.975 -6.336 -7.876) 14.921 5.704 ( 3.145 1.816 -7.862) 8.660 5.806 ( 3.877 2.238 11.358) 12.209 6.142 ( -3.369 -1.945 -1.571) 4.195 6.909 ( -16.150 -9.324 -13.083) 22.781 7.044 ( 5.345 3.086 6.707) 9.115 7.210 ( 1.060 0.612 0.780) 1.452 8.335 ( -7.363 -4.251 -1.563) 8.645 8.379 ( -1.578 -0.911 1.981) 2.692 8.623 ( -6.500 -3.753 2.164) 7.812 8.902 ( -8.869 -5.121 -15.785) 18.816 9.653 ( 2.437 1.407 6.064) 6.685 9.926 ( -3.552 -2.051 -0.720) 4.164 10.660 ( 21.754 12.559 10.186) 27.106 11.515 ( 9.389 5.421 -15.874) 19.223 12.199 ( 3.369 1.945 -0.332) 3.905 12.432 ( -4.092 -2.362 4.885) 6.796 13.003 ( -0.466 -0.269 5.368) 5.395 13.606 ( -13.542 -7.818 3.737) 16.077 17.043 ( -1.735 -1.002 0.740) 2.136 17.167 ( -6.742 -3.892 -3.485) 8.529 17.841 ( -4.844 -2.797 10.564) 11.953 18.118 ( -3.484 -2.012 -13.704) 14.282 19.105 ( 6.235 3.600 6.962) 10.015 19.183 ( 7.109 4.104 -4.974) 9.598 ======================= Grid point 337 (68/80) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 195 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.008 -2.314 13.366) 14.144 1.808 ( 1.477 0.852 21.566) 21.633 2.239 ( -1.350 -0.780 -12.772) 12.867 2.322 ( -0.396 -0.228 -8.297) 8.310 2.983 ( 2.244 1.296 8.370) 8.762 3.036 ( -0.557 -0.322 6.554) 6.586 3.166 ( 3.417 1.973 1.531) 4.232 3.209 ( 1.052 0.607 1.886) 2.243 3.427 ( -1.505 -0.869 3.817) 4.194 5.166 ( -2.244 -1.296 -0.697) 2.684 5.291 ( 8.032 4.637 6.723) 11.455 5.454 ( -1.054 -0.609 -2.470) 2.754 5.714 ( -4.474 -2.583 -7.008) 8.706 5.874 ( 2.735 1.579 5.751) 6.561 6.132 ( 2.458 1.419 -7.054) 7.604 6.531 ( -15.730 -9.082 -15.060) 23.595 7.167 ( 4.472 2.582 8.566) 10.002 7.276 ( 3.659 2.112 -2.169) 4.749 8.196 ( -3.799 -2.193 3.399) 5.549 8.280 ( -5.204 -3.004 -4.574) 7.552 8.452 ( -8.792 -5.076 7.311) 12.511 8.790 ( -1.234 -0.712 -16.565) 16.626 9.662 ( -0.691 -0.399 11.670) 11.697 9.874 ( -1.170 -0.676 -6.806) 6.939 11.181 ( 21.762 12.564 8.914) 26.662 11.629 ( 1.823 1.053 -11.667) 11.856 12.280 ( 1.513 0.873 0.553) 1.832 12.357 ( -1.781 -1.028 1.800) 2.733 13.010 ( 0.572 0.330 9.120) 9.144 13.313 ( -10.856 -6.268 -3.003) 12.890 17.000 ( -1.924 -1.111 0.056) 2.222 17.029 ( -4.892 -2.824 -1.753) 5.914 17.736 ( -3.746 -2.163 11.048) 11.864 18.045 ( -2.605 -1.504 -12.782) 13.131 19.230 ( 4.521 2.610 6.200) 8.105 19.325 ( 4.698 2.712 -4.712) 7.186 ======================= Grid point 339 (69/80) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -0.196 3.493 11.381) 11.906 1.836 ( 3.779 0.611 16.096) 16.545 2.227 ( -0.990 3.959 -8.452) 9.385 2.367 ( 2.278 1.096 -9.163) 9.506 2.879 ( -8.914 -11.098 1.825) 14.351 2.958 ( -2.078 -3.416 4.249) 5.835 3.183 ( 1.199 5.527 8.000) 9.797 3.225 ( 2.224 -1.698 1.819) 3.337 3.450 ( 0.706 0.971 3.928) 4.107 5.153 ( -2.362 -4.841 3.280) 6.307 5.245 ( 2.277 -1.600 2.523) 3.757 5.489 ( 0.376 6.540 -4.565) 7.984 5.660 ( -6.255 3.664 2.045) 7.532 5.914 ( 7.615 -8.941 -8.019) 14.221 6.219 ( 6.921 2.112 2.648) 7.705 6.656 ( -4.284 16.239 -7.010) 18.199 7.091 ( -0.608 -2.304 1.042) 2.600 7.280 ( 3.617 -2.743 -1.490) 4.778 8.273 ( 1.087 6.767 3.106) 7.524 8.396 ( 6.839 4.659 -3.664) 9.050 8.569 ( 1.969 5.885 6.987) 9.345 8.808 ( -0.501 6.234 -14.351) 15.654 9.708 ( 1.471 1.713 9.619) 9.881 9.875 ( 1.175 0.316 -6.410) 6.524 10.884 ( -4.588 -24.494 3.513) 25.166 11.490 ( -12.750 -1.895 -5.990) 14.214 12.159 ( -5.059 -9.611 -0.030) 10.861 12.412 ( 2.682 4.489 2.751) 5.909 13.105 ( 5.201 2.609 4.134) 7.138 13.491 ( 7.340 12.966 1.397) 14.965 17.054 ( 2.971 2.942 1.032) 4.306 17.100 ( 1.417 5.480 -3.130) 6.468 17.804 ( 2.091 4.942 10.906) 12.154 18.098 ( 2.025 3.299 -13.054) 13.616 19.095 ( -7.358 -6.511 7.322) 12.254 19.276 ( 0.277 -6.260 -5.756) 8.508 ======================= Grid point 340 (70/80) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.423 0.945 6.626) 6.843 1.938 ( 5.523 4.450 8.259) 10.886 2.308 ( 2.958 6.855 -2.887) 8.005 2.411 ( 2.473 -0.485 -5.948) 6.460 2.571 ( -10.939 -12.012 3.581) 16.637 2.903 ( -0.889 -3.318 2.303) 4.136 3.186 ( -3.420 1.160 1.965) 4.112 3.272 ( 0.359 2.178 5.108) 5.565 3.463 ( 0.717 -0.674 4.141) 4.257 5.071 ( -1.859 -3.416 5.184) 6.481 5.230 ( -1.885 -2.977 -2.818) 4.512 5.503 ( -2.135 -5.263 -5.220) 7.714 5.671 ( 0.079 8.358 4.244) 9.374 5.992 ( 2.737 5.224 -4.562) 7.456 6.296 ( 4.703 1.214 -1.083) 4.976 6.778 ( 6.354 3.571 7.575) 10.512 7.173 ( 6.520 9.866 -5.246) 12.937 7.327 ( 3.290 -0.063 -2.666) 4.235 8.312 ( -3.494 3.059 2.193) 5.136 8.553 ( 5.714 1.664 -1.319) 6.096 8.602 ( 1.461 -0.861 -2.445) 2.975 8.934 ( 3.453 11.520 -0.561) 12.039 9.633 ( -8.315 0.236 4.777) 9.593 10.017 ( 13.101 -1.421 -7.241) 15.036 10.588 ( -7.205 -14.568 -4.208) 16.788 11.179 ( -20.578 -1.957 3.667) 20.994 12.013 ( 3.654 -16.558 -3.197) 17.255 12.528 ( 4.682 6.294 2.923) 8.371 13.171 ( -5.457 12.253 4.476) 14.140 13.781 ( 14.505 4.784 0.898) 15.300 17.119 ( -0.270 4.387 0.140) 4.398 17.200 ( 6.008 2.794 -1.878) 6.887 17.881 ( 1.729 3.030 11.129) 11.663 18.157 ( 1.608 1.629 -13.139) 13.337 18.908 ( -7.194 -4.449 8.810) 12.213 19.205 ( -1.453 -5.796 -7.539) 9.620 ======================= Grid point 341 (71/80) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.155 -3.013 1.589) 5.373 2.077 ( 2.482 4.034 3.213) 5.724 2.292 ( -3.863 -6.975 4.886) 9.351 2.400 ( 1.268 2.968 -0.632) 3.289 2.518 ( 4.784 3.229 0.696) 5.813 2.867 ( 0.860 -3.982 -1.093) 4.218 3.113 ( -6.853 1.984 0.695) 7.168 3.255 ( -3.466 1.274 5.422) 6.560 3.475 ( 2.246 -1.243 4.858) 5.494 5.028 ( 0.131 -2.513 4.602) 5.245 5.131 ( -5.257 -3.621 -4.865) 8.026 5.397 ( -0.621 -9.563 -8.131) 12.568 5.716 ( -4.015 8.098 7.629) 11.828 5.993 ( -10.987 12.829 -0.244) 16.893 6.586 ( 22.298 3.647 -4.704) 23.079 6.888 ( 7.050 -3.326 7.315) 10.690 7.363 ( 3.721 -0.250 -1.684) 4.092 7.501 ( 11.477 17.999 -0.152) 21.347 8.195 ( -9.574 -3.860 -2.061) 10.526 8.555 ( -5.476 -5.600 4.321) 8.945 8.638 ( 5.107 -2.008 -3.883) 6.722 9.110 ( 3.290 12.893 6.451) 14.787 9.571 ( 1.063 3.156 -3.554) 4.870 10.111 ( -2.061 -9.175 -7.799) 12.216 10.420 ( -0.870 -0.406 -5.850) 5.928 10.818 ( -16.390 -3.032 4.578) 17.286 11.948 ( 9.705 -20.872 -4.326) 23.421 12.683 ( 4.001 9.361 3.786) 10.861 13.174 ( -10.081 15.759 4.910) 19.341 14.028 ( 11.998 -1.518 0.974) 12.133 17.140 ( -1.765 3.905 -0.342) 4.299 17.342 ( 7.326 2.131 -1.279) 7.736 17.899 ( -0.848 -1.361 10.448) 10.571 18.183 ( 0.836 0.256 -12.212) 12.244 18.792 ( -3.473 -0.323 8.974) 9.628 19.121 ( -2.296 -4.606 -8.004) 9.516 ======================= Grid point 342 (72/80) ======================= q-point: ( 0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 3.443 -6.228 -0.565) 7.139 2.038 ( -0.240 -4.691 4.393) 6.431 2.327 ( 3.333 2.330 0.167) 4.070 2.421 ( -0.323 1.507 3.582) 3.899 2.632 ( 3.568 4.248 1.677) 5.795 2.838 ( -0.096 -5.238 -3.127) 6.101 3.015 ( -6.462 3.624 0.622) 7.435 3.218 ( -2.320 2.539 5.698) 6.655 3.517 ( 3.838 -1.408 4.865) 6.354 4.993 ( -2.872 -3.051 -5.107) 6.606 5.045 ( 0.713 -1.067 3.636) 3.856 5.312 ( 1.526 -8.665 -8.066) 11.936 5.716 ( -7.093 11.961 9.526) 16.856 5.953 ( -7.783 12.769 -4.793) 15.703 6.834 ( 7.942 -10.546 0.941) 13.236 7.060 ( 9.417 6.445 11.087) 15.910 7.440 ( 6.277 0.384 -7.983) 10.162 7.850 ( 3.204 9.334 2.164) 10.103 7.943 ( -7.922 -2.709 1.199) 8.457 8.353 ( -4.977 -7.668 4.083) 10.012 8.701 ( 4.566 -3.031 -4.400) 7.029 9.289 ( 2.386 12.413 2.184) 12.828 9.690 ( 4.073 4.896 -4.286) 7.677 9.874 ( -11.385 -3.937 3.778) 12.625 10.344 ( -9.567 -1.263 -9.930) 13.846 10.702 ( 5.375 -2.573 -2.430) 6.435 11.920 ( 11.924 -22.735 -3.789) 25.950 12.813 ( -2.112 11.154 5.966) 12.825 13.155 ( -8.997 15.245 2.083) 17.824 14.143 ( 5.899 -6.245 3.507) 9.279 17.141 ( -2.174 3.426 0.032) 4.057 17.467 ( 4.618 0.887 -2.235) 5.207 17.849 ( -0.343 -3.886 8.158) 9.043 18.200 ( 0.877 0.084 -10.635) 10.671 18.774 ( -0.187 2.125 8.144) 8.418 19.043 ( -2.343 -3.039 -6.686) 7.709 ======================= Grid point 343 (73/80) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 2.529 -5.948 1.205) 6.574 2.047 ( 2.611 -0.344 3.530) 4.404 2.334 ( 0.743 -3.950 -0.359) 4.035 2.442 ( -0.911 1.180 1.103) 1.854 2.684 ( -2.032 -1.394 -0.669) 2.553 2.769 ( -0.099 -1.197 0.529) 1.313 3.003 ( -0.818 5.921 1.956) 6.289 3.236 ( 0.420 4.140 4.201) 5.913 3.546 ( 1.481 -3.353 2.691) 4.547 4.950 ( 0.726 -0.382 -1.911) 2.080 5.075 ( 1.697 1.097 2.475) 3.195 5.299 ( 6.469 -7.021 -7.577) 12.188 5.722 ( -6.430 12.982 8.437) 16.765 5.978 ( -4.823 13.570 -7.042) 16.031 6.793 ( 1.878 -13.988 4.423) 14.791 7.086 ( -8.457 -6.202 12.147) 16.048 7.376 ( -11.051 -2.533 -5.300) 12.515 7.798 ( -5.385 2.309 2.058) 6.210 7.956 ( 3.608 1.988 5.121) 6.572 8.446 ( 14.473 2.191 -4.580) 15.338 8.718 ( 1.701 -4.907 -6.034) 7.961 9.398 ( -3.334 9.793 -6.685) 12.317 9.564 ( -10.496 -3.481 6.776) 12.969 9.872 ( 1.667 3.439 3.182) 4.973 10.244 ( -1.421 3.940 -1.487) 4.444 10.819 ( 9.795 -0.189 -12.070) 15.545 11.905 ( 12.563 -22.642 -2.480) 26.012 12.795 ( -10.078 7.449 7.072) 14.390 13.190 ( -6.126 16.506 -0.550) 17.614 14.109 ( -0.463 -9.651 6.635) 11.721 17.135 ( -2.410 3.202 0.549) 4.045 17.476 ( -2.275 -3.057 -2.971) 4.832 17.862 ( 4.642 -1.394 7.364) 8.816 18.208 ( 0.305 -0.652 -11.729) 11.751 18.814 ( 1.933 2.532 7.010) 7.700 18.991 ( -0.915 -0.970 -4.512) 4.705 ======================= Grid point 344 (74/80) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 1.896 -4.039 1.792) 4.808 2.037 ( -5.993 1.803 6.391) 8.945 2.346 ( 0.006 -2.098 0.928) 2.294 2.411 ( 5.218 -3.248 -3.558) 7.102 2.582 ( -3.543 -4.763 -3.036) 6.668 2.816 ( 3.373 1.332 1.691) 4.002 3.074 ( 1.187 6.730 4.351) 8.102 3.293 ( 0.795 3.750 2.555) 4.606 3.506 ( -1.135 -3.970 2.594) 4.876 4.996 ( 3.605 0.682 3.719) 5.224 5.120 ( 1.725 2.645 0.454) 3.190 5.394 ( 10.820 -4.443 -7.871) 14.098 5.747 ( -4.043 9.658 4.827) 11.529 6.025 ( -6.316 11.796 -4.785) 14.210 6.523 ( -15.828 -15.384 1.283) 22.110 6.871 ( -0.173 -8.403 9.616) 12.771 7.261 ( -5.454 3.050 5.679) 8.443 7.539 ( -17.358 -3.552 -3.512) 18.063 8.182 ( 10.500 6.006 1.327) 12.169 8.629 ( -0.883 -1.022 -4.779) 4.966 8.668 ( 3.535 -6.615 -5.930) 9.562 9.279 ( -12.505 -3.651 -4.624) 13.824 9.522 ( 3.145 8.415 -3.152) 9.520 9.913 ( 2.005 -1.561 10.094) 10.409 10.302 ( 1.002 6.553 3.799) 7.640 11.058 ( 14.362 6.412 -15.480) 22.068 11.909 ( 12.957 -19.937 -0.867) 23.793 12.661 ( -10.459 2.717 5.479) 12.116 13.226 ( -9.180 15.958 0.495) 18.417 13.955 ( -5.463 -10.470 7.608) 14.048 17.122 ( -2.799 3.099 1.024) 4.300 17.368 ( -4.829 -5.067 -3.515) 7.832 17.921 ( 1.964 -0.661 9.331) 9.558 18.197 ( -0.580 -1.251 -14.265) 14.331 18.879 ( 4.016 0.313 6.129) 7.334 19.015 ( 2.941 2.957 -3.370) 5.362 ======================= Grid point 345 (75/80) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -0.648 -2.196 5.304) 5.777 1.914 ( -7.463 -0.380 9.469) 12.063 2.283 ( -4.128 2.117 -1.234) 4.800 2.439 ( -3.529 -4.170 -7.541) 9.312 2.633 ( 15.806 -2.892 -1.546) 16.143 2.889 ( 3.673 1.006 2.633) 4.629 3.159 ( 1.467 5.290 4.485) 7.089 3.294 ( -3.603 -0.282 3.574) 5.083 3.463 ( -0.351 -1.236 4.498) 4.678 5.067 ( 4.178 0.357 5.599) 6.995 5.186 ( 2.156 3.617 0.561) 4.248 5.542 ( 9.103 -3.826 -7.974) 12.692 5.750 ( -3.304 0.416 2.153) 3.966 5.885 ( -14.526 3.135 -2.661) 15.097 6.260 ( -5.647 2.315 3.027) 6.812 6.845 ( 3.360 -8.851 4.867) 10.645 7.168 ( -11.455 0.248 -3.440) 11.963 7.272 ( -6.225 1.731 -1.401) 6.611 8.354 ( 3.092 2.378 2.029) 4.397 8.484 ( -9.015 -0.973 -2.697) 9.459 8.653 ( -0.843 -4.898 -3.252) 5.940 9.016 ( -12.005 -5.664 -7.573) 15.282 9.689 ( 2.545 8.001 0.999) 8.455 9.889 ( 0.473 -5.253 3.482) 6.319 10.475 ( 12.090 9.599 5.034) 16.237 11.356 ( 13.032 2.105 -11.832) 17.728 11.979 ( 13.732 -10.408 -0.037) 17.231 12.519 ( -7.673 0.263 3.708) 8.526 13.183 ( -10.570 10.206 3.528) 15.111 13.737 ( -9.979 -6.749 4.910) 13.009 17.098 ( -3.459 2.745 1.300) 4.603 17.229 ( -5.548 -4.849 -3.835) 8.307 17.896 ( -3.458 -1.353 10.568) 11.202 18.160 ( -2.577 -0.946 -14.176) 14.440 18.969 ( 7.827 -1.935 6.745) 10.512 19.134 ( 5.586 5.172 -4.650) 8.920 ======================= Grid point 350 (76/80) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -1.355 -1.630 2.630) 3.378 2.071 ( 5.216 6.808 6.217) 10.593 2.301 ( -6.996 -8.611 0.634) 11.113 2.391 ( 0.833 -0.615 -0.773) 1.292 2.504 ( 1.518 7.126 -2.493) 7.700 2.832 ( -1.044 -3.680 1.207) 4.011 3.177 ( 1.179 -1.595 3.893) 4.369 3.327 ( -1.251 1.950 1.658) 2.849 3.439 ( -1.325 -1.010 4.369) 4.676 5.005 ( -1.209 -3.390 5.033) 6.188 5.160 ( -1.591 -3.737 -0.493) 4.091 5.351 ( -4.519 -8.163 -11.727) 14.986 5.842 ( 1.361 7.760 6.431) 10.170 6.233 ( 13.984 13.502 -4.116) 19.870 6.311 ( -1.542 3.716 4.986) 6.407 6.765 ( 0.928 -1.039 1.754) 2.240 7.311 ( 3.387 1.485 4.460) 5.794 7.499 ( 9.465 17.826 -1.875) 20.270 8.281 ( -3.533 -8.335 3.762) 9.803 8.505 ( -4.351 -3.052 -9.883) 11.221 8.651 ( 0.166 2.747 -1.373) 3.076 9.192 ( 2.984 14.124 4.859) 15.231 9.609 ( -2.961 -2.582 -3.617) 5.340 9.969 ( 8.750 -1.492 -1.953) 9.089 10.395 ( -0.329 -5.997 -0.453) 6.023 11.105 ( -14.189 -7.076 -0.650) 15.869 11.663 ( -5.705 -16.189 -6.736) 18.439 12.698 ( 6.780 10.809 3.622) 13.263 13.427 ( 3.077 11.330 5.706) 13.053 13.825 ( 4.743 0.613 2.284) 5.300 17.194 ( 3.649 2.346 2.365) 4.941 17.272 ( 0.423 5.308 -4.334) 6.865 17.906 ( -1.462 -1.184 9.602) 9.784 18.179 ( 0.072 0.825 -12.954) 12.981 18.850 ( -3.876 -1.357 8.394) 9.344 19.085 ( 0.315 -5.910 -6.614) 8.876 ======================= Grid point 351 (77/80) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.114 -5.138 0.452) 5.277 2.048 ( -5.554 -4.068 5.592) 8.870 2.249 ( 4.887 -1.765 -0.984) 5.288 2.433 ( 1.298 2.731 2.623) 4.003 2.619 ( 3.257 5.713 -0.048) 6.577 2.795 ( 0.301 -2.578 -1.083) 2.812 3.161 ( -3.794 2.718 2.352) 5.226 3.290 ( -3.989 1.984 4.451) 6.298 3.432 ( 2.909 -3.003 3.733) 5.605 4.961 ( 0.258 -4.184 0.946) 4.297 5.069 ( -3.875 -2.212 -1.256) 4.636 5.247 ( -0.810 -5.269 -10.937) 12.167 5.924 ( -2.745 11.053 10.040) 15.182 6.258 ( -10.386 13.452 1.540) 17.065 6.564 ( 12.880 -5.746 -3.429) 14.515 6.915 ( 14.088 7.977 3.213) 16.506 7.356 ( 2.267 0.020 4.304) 4.865 7.850 ( 8.757 14.276 3.601) 17.130 8.045 ( -9.294 -11.494 -2.732) 15.032 8.377 ( -5.503 -6.899 -3.158) 9.373 8.630 ( -0.793 -2.792 -0.072) 2.904 9.383 ( 2.831 14.681 6.675) 16.374 9.665 ( 5.593 6.551 -8.789) 12.306 9.996 ( -4.559 -2.594 -0.500) 5.270 10.371 ( 3.263 -4.419 -5.062) 7.470 10.773 ( -16.508 -1.951 2.641) 16.832 11.492 ( 7.723 -23.473 -9.301) 26.403 12.935 ( 4.731 15.622 4.736) 16.996 13.475 ( -10.429 13.465 6.016) 18.062 13.917 ( 10.199 -9.506 1.450) 14.017 17.232 ( -2.534 5.003 1.005) 5.697 17.377 ( 6.453 1.810 -2.883) 7.296 17.826 ( -2.873 -5.898 6.600) 9.306 18.191 ( 0.506 0.582 -9.743) 9.773 18.808 ( -1.490 1.401 8.690) 8.927 19.035 ( -0.565 -3.677 -7.142) 8.052 ======================= Grid point 352 (78/80) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 3.150 -5.990 0.101) 6.769 1.989 ( 1.139 0.126 4.382) 4.530 2.270 ( 2.503 -6.533 -0.560) 7.018 2.469 ( -0.435 2.377 2.576) 3.532 2.697 ( 0.539 1.495 1.622) 2.271 2.769 ( -1.349 -1.199 -2.071) 2.747 3.123 ( -4.866 6.800 2.119) 8.626 3.274 ( -0.517 2.755 5.259) 5.960 3.458 ( 3.643 -4.560 2.724) 6.440 4.926 ( 0.566 -3.185 -4.748) 5.746 5.040 ( 1.622 0.182 3.305) 3.686 5.203 ( 0.289 -2.571 -10.398) 10.715 5.962 ( -5.790 11.339 11.260) 16.997 6.242 ( -7.931 15.348 -2.307) 17.429 6.605 ( 4.036 -10.729 -0.501) 11.474 7.153 ( -1.480 2.031 11.242) 11.519 7.440 ( 2.689 -1.760 -4.363) 5.419 7.702 ( 2.167 -8.348 3.376) 9.262 8.140 ( -10.269 4.213 4.888) 12.128 8.242 ( 8.441 1.871 -6.248) 10.667 8.614 ( 3.881 -5.741 -1.840) 7.170 9.548 ( -0.641 12.557 -1.546) 12.668 9.733 ( -9.344 -0.388 -0.276) 9.356 9.914 ( -0.444 6.191 3.245) 7.004 10.315 ( -4.232 -2.034 -5.637) 7.336 10.666 ( 5.302 0.914 -3.477) 6.406 11.438 ( 12.998 -24.251 -8.172) 28.703 13.077 ( -8.877 14.010 7.001) 18.003 13.438 ( -5.266 12.930 1.852) 14.083 13.945 ( 5.849 -13.308 4.202) 15.132 17.230 ( -3.419 5.215 1.077) 6.328 17.463 ( 1.279 -1.425 -3.519) 4.006 17.756 ( 3.136 -4.782 5.369) 7.844 18.201 ( 0.152 0.035 -8.748) 8.749 18.816 ( 0.425 1.560 8.369) 8.523 18.997 ( -0.843 -1.318 -6.477) 6.664 ======================= Grid point 354 (79/80) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 3.969 -3.005 0.849) 5.050 2.069 ( 5.792 1.906 4.512) 7.585 2.231 ( 0.398 -4.702 -0.379) 4.734 2.442 ( -3.792 -0.663 1.612) 4.174 2.636 ( -5.697 -1.796 -0.726) 6.017 2.773 ( 1.808 0.789 0.274) 1.991 3.139 ( -1.155 5.766 3.818) 7.011 3.313 ( 0.995 3.248 2.980) 4.519 3.450 ( 1.686 -5.692 2.157) 6.316 4.942 ( 3.069 -0.199 0.724) 3.159 5.094 ( 3.608 0.108 0.791) 3.695 5.226 ( 4.827 -0.484 -11.285) 12.284 5.944 ( -7.280 7.119 8.812) 13.466 6.274 ( -6.895 15.095 -1.034) 16.627 6.522 ( -1.441 -11.855 0.599) 11.957 6.911 ( -14.615 -8.597 3.850) 17.387 7.349 ( -3.193 -0.585 4.786) 5.783 7.836 ( -15.845 1.240 3.002) 16.174 8.015 ( 14.725 3.809 1.270) 15.263 8.432 ( 9.394 -3.544 -7.619) 12.604 8.645 ( 3.729 -1.786 -1.740) 4.486 9.470 ( -13.699 -3.644 7.824) 16.191 9.599 ( -5.431 6.038 -11.688) 14.233 9.949 ( -1.657 5.037 3.240) 6.214 10.313 ( 2.379 1.690 0.209) 2.926 10.877 ( 13.415 5.259 -5.425) 15.396 11.464 ( 15.349 -17.797 -7.539) 24.681 12.927 ( -15.959 4.509 5.399) 17.441 13.520 ( -5.868 14.995 2.284) 16.263 13.870 ( 1.929 -12.683 5.453) 13.940 17.220 ( -3.632 4.870 1.710) 6.312 17.391 ( -4.061 -5.005 -3.811) 7.488 17.834 ( 6.928 -1.155 6.158) 9.341 18.195 ( -0.503 -0.531 -10.318) 10.344 18.838 ( 1.039 -0.516 8.463) 8.542 18.999 ( 1.605 1.726 -6.331) 6.756 ======================= Grid point 362 (80/80) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 7.40e-04 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -1.548 -2.759 0.290) 3.177 2.007 ( -0.837 -0.432 6.907) 6.970 2.180 ( -1.149 -3.058 -3.504) 4.791 2.490 ( 0.702 1.673 2.132) 2.800 2.701 ( 1.074 2.256 2.097) 3.261 2.772 ( 0.377 -0.138 -1.773) 1.818 3.221 ( 2.788 3.300 4.021) 5.902 3.309 ( -1.654 -1.027 5.659) 5.985 3.376 ( -1.161 -1.723 0.563) 2.153 4.893 ( -0.878 -1.997 -5.125) 5.570 5.039 ( -1.026 -0.971 2.462) 2.839 5.188 ( -0.237 -1.099 -10.278) 10.339 6.087 ( 2.294 4.728 12.967) 13.991 6.400 ( -1.882 -2.278 -5.158) 5.944 6.525 ( 4.158 5.192 4.338) 7.942 7.153 ( 8.775 14.140 1.039) 16.674 7.367 ( -0.882 0.806 5.938) 6.057 7.663 ( -9.448 -18.105 4.369) 20.884 8.119 ( 4.402 5.827 -7.319) 10.339 8.340 ( 0.197 2.987 -0.647) 3.062 8.523 ( -3.979 -6.798 1.414) 8.003 9.650 ( 2.679 10.523 2.018) 11.044 9.773 ( 5.693 2.135 -6.198) 8.683 9.985 ( -0.915 0.847 4.656) 4.820 10.294 ( 0.958 -1.804 -6.589) 6.899 10.715 ( -4.832 -4.211 7.636) 9.969 11.129 ( -5.233 -10.518 -18.101) 21.579 13.250 ( 8.841 14.532 8.111) 18.845 13.653 ( -8.768 -1.212 3.213) 9.417 13.697 ( 4.344 -5.866 2.045) 7.580 17.306 ( 1.429 1.978 3.531) 4.292 17.427 ( 1.412 2.985 -6.107) 6.943 17.701 ( -3.158 -5.305 4.549) 7.669 18.201 ( 0.140 0.315 -7.869) 7.877 18.825 ( -0.296 0.171 8.601) 8.608 18.992 ( 0.061 -0.706 -6.713) 6.750 =================== 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 3/25200 10.0 2064.966 2064.966 1255.304 -0.000 -0.000 -0.000 3/25200 20.0 264.770 264.770 254.954 -0.000 -0.000 -0.000 3/25200 30.0 117.252 117.252 122.923 -0.000 -0.000 -0.000 3/25200 40.0 71.516 71.516 76.446 -0.000 -0.000 -0.000 3/25200 50.0 48.231 48.231 51.641 -0.000 -0.000 -0.000 3/25200 60.0 34.796 34.796 37.222 -0.000 -0.000 -0.000 3/25200 70.0 26.503 26.503 28.333 -0.000 -0.000 -0.000 3/25200 80.0 21.090 21.090 22.537 -0.000 -0.000 -0.000 3/25200 90.0 17.375 17.375 18.561 -0.000 -0.000 -0.000 3/25200 100.0 14.712 14.712 15.709 -0.000 -0.000 -0.000 3/25200 110.0 12.730 12.730 13.585 -0.000 -0.000 -0.000 3/25200 120.0 11.207 11.207 11.953 -0.000 -0.000 -0.000 3/25200 130.0 10.004 10.004 10.664 -0.000 -0.000 -0.000 3/25200 140.0 9.032 9.032 9.623 -0.000 -0.000 -0.000 3/25200 150.0 8.231 8.231 8.767 -0.000 -0.000 -0.000 3/25200 160.0 7.560 7.560 8.052 -0.000 -0.000 -0.000 3/25200 170.0 6.991 6.991 7.445 -0.000 -0.000 -0.000 3/25200 180.0 6.502 6.502 6.925 -0.000 -0.000 -0.000 3/25200 190.0 6.077 6.077 6.474 -0.000 -0.000 -0.000 3/25200 200.0 5.705 5.705 6.080 -0.000 -0.000 -0.000 3/25200 210.0 5.376 5.376 5.732 -0.000 -0.000 -0.000 3/25200 220.0 5.084 5.084 5.423 -0.000 -0.000 -0.000 3/25200 230.0 4.822 4.822 5.146 -0.000 0.000 -0.000 3/25200 240.0 4.587 4.587 4.898 -0.000 0.000 -0.000 3/25200 250.0 4.373 4.373 4.673 -0.000 0.000 -0.000 3/25200 260.0 4.179 4.179 4.469 -0.000 0.000 -0.000 3/25200 270.0 4.002 4.002 4.282 -0.000 0.000 -0.000 3/25200 280.0 3.840 3.840 4.111 -0.000 0.000 -0.000 3/25200 290.0 3.690 3.690 3.954 -0.000 0.000 -0.000 3/25200 300.0 3.552 3.552 3.809 -0.000 0.000 -0.000 3/25200 310.0 3.424 3.424 3.674 -0.000 0.000 -0.000 3/25200 320.0 3.306 3.306 3.549 -0.000 0.000 -0.000 3/25200 330.0 3.195 3.195 3.432 -0.000 0.000 -0.000 3/25200 340.0 3.092 3.092 3.323 -0.000 0.000 -0.000 3/25200 350.0 2.995 2.995 3.221 -0.000 0.000 -0.000 3/25200 360.0 2.905 2.905 3.126 -0.000 0.000 -0.000 3/25200 370.0 2.819 2.819 3.036 -0.000 0.000 -0.000 3/25200 380.0 2.739 2.739 2.951 -0.000 0.000 -0.000 3/25200 390.0 2.663 2.663 2.871 -0.000 0.000 -0.000 3/25200 400.0 2.592 2.592 2.795 -0.000 0.000 -0.000 3/25200 410.0 2.524 2.524 2.723 -0.000 0.000 -0.000 3/25200 420.0 2.460 2.460 2.655 -0.000 0.000 -0.000 3/25200 430.0 2.399 2.399 2.591 -0.000 0.000 -0.000 3/25200 440.0 2.341 2.341 2.529 -0.000 0.000 -0.000 3/25200 450.0 2.286 2.286 2.471 -0.000 0.000 -0.000 3/25200 460.0 2.234 2.234 2.415 -0.000 0.000 -0.000 3/25200 470.0 2.184 2.184 2.362 -0.000 0.000 -0.000 3/25200 480.0 2.136 2.136 2.311 -0.000 0.000 -0.000 3/25200 490.0 2.090 2.090 2.262 -0.000 0.000 -0.000 3/25200 500.0 2.046 2.046 2.215 -0.000 0.000 -0.000 3/25200 510.0 2.004 2.004 2.171 -0.000 0.000 -0.000 3/25200 520.0 1.964 1.964 2.128 -0.000 0.000 -0.000 3/25200 530.0 1.925 1.925 2.086 -0.000 0.000 -0.000 3/25200 540.0 1.888 1.888 2.047 -0.000 0.000 -0.000 3/25200 550.0 1.852 1.852 2.008 -0.000 0.000 -0.000 3/25200 560.0 1.818 1.818 1.972 -0.000 0.000 -0.000 3/25200 570.0 1.785 1.785 1.936 -0.000 0.000 -0.000 3/25200 580.0 1.753 1.753 1.902 -0.000 0.000 -0.000 3/25200 590.0 1.722 1.722 1.869 -0.000 0.000 -0.000 3/25200 600.0 1.693 1.693 1.837 -0.000 0.000 -0.000 3/25200 610.0 1.664 1.664 1.807 -0.000 0.000 -0.000 3/25200 620.0 1.636 1.636 1.777 -0.000 0.000 -0.000 3/25200 630.0 1.609 1.609 1.748 -0.000 0.000 -0.000 3/25200 640.0 1.584 1.584 1.720 -0.000 0.000 -0.000 3/25200 650.0 1.558 1.558 1.694 -0.000 0.000 -0.000 3/25200 660.0 1.534 1.534 1.668 -0.000 0.000 -0.000 3/25200 670.0 1.511 1.511 1.642 -0.000 0.000 -0.000 3/25200 680.0 1.488 1.488 1.618 -0.000 0.000 -0.000 3/25200 690.0 1.466 1.466 1.594 -0.000 0.000 -0.000 3/25200 700.0 1.444 1.444 1.571 -0.000 0.000 -0.000 3/25200 710.0 1.423 1.423 1.548 -0.000 0.000 -0.000 3/25200 720.0 1.403 1.403 1.527 -0.000 0.000 -0.000 3/25200 730.0 1.384 1.384 1.505 -0.000 0.000 -0.000 3/25200 740.0 1.364 1.364 1.485 -0.000 0.000 -0.000 3/25200 750.0 1.346 1.346 1.465 -0.000 0.000 -0.000 3/25200 760.0 1.328 1.328 1.445 -0.000 0.000 -0.000 3/25200 770.0 1.310 1.310 1.426 -0.000 0.000 -0.000 3/25200 780.0 1.293 1.293 1.408 -0.000 0.000 -0.000 3/25200 790.0 1.276 1.276 1.390 -0.000 0.000 -0.000 3/25200 800.0 1.260 1.260 1.372 -0.000 0.000 -0.000 3/25200 810.0 1.244 1.244 1.355 -0.000 0.000 -0.000 3/25200 820.0 1.229 1.229 1.339 -0.000 0.000 -0.000 3/25200 830.0 1.214 1.214 1.322 -0.000 0.000 -0.000 3/25200 840.0 1.199 1.199 1.306 -0.000 0.000 -0.000 3/25200 850.0 1.185 1.185 1.291 -0.000 0.000 -0.000 3/25200 860.0 1.171 1.171 1.276 -0.000 0.000 -0.000 3/25200 870.0 1.157 1.157 1.261 -0.000 0.000 -0.000 3/25200 880.0 1.144 1.144 1.247 -0.000 0.000 -0.000 3/25200 890.0 1.131 1.131 1.232 -0.000 0.000 -0.000 3/25200 900.0 1.118 1.118 1.219 -0.000 0.000 -0.000 3/25200 910.0 1.106 1.106 1.205 -0.000 0.000 -0.000 3/25200 920.0 1.093 1.093 1.192 -0.000 0.000 -0.000 3/25200 930.0 1.081 1.081 1.179 -0.000 0.000 -0.000 3/25200 940.0 1.070 1.070 1.166 -0.000 0.000 -0.000 3/25200 950.0 1.058 1.058 1.154 -0.000 0.000 -0.000 3/25200 960.0 1.047 1.047 1.142 -0.000 0.000 -0.000 3/25200 970.0 1.036 1.036 1.130 -0.000 0.000 -0.000 3/25200 980.0 1.026 1.026 1.119 -0.000 0.000 -0.000 3/25200 990.0 1.015 1.015 1.107 -0.000 0.000 -0.000 3/25200 1000.0 1.005 1.005 1.096 -0.000 0.000 -0.000 3/25200 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:50:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|