----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:20:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.761821960000000 2.761821960000000 5.243654465000000 b 2.761821960000000 -2.761821960000000 5.243654465000000 c 2.761821960000000 2.761821960000000 -5.243654465000000 Atomic positions (fractional): *1 F 0.80531904532674 0.30531904532674 0.85671751065315 18.998 2 F 0.55139846532641 0.05139846532641 0.85671751065315 18.998 3 F 0.19468095467326 0.69468095467326 0.14328248934685 18.998 4 F 0.69468095467326 0.55139846532641 0.50000000000000 18.998 5 F 0.44860153467359 0.94860153467359 0.14328248934685 18.998 6 F 0.94860153467359 0.80531904532674 0.50000000000000 18.998 7 F 0.30531904532674 0.44860153467359 0.50000000000000 18.998 8 F 0.05139846532641 0.19468095467326 0.50000000000000 18.998 *9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 *11 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.523643920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.523643920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.487308929999999 Atomic positions (fractional): *1 F 0.17835875532657 0.67835875532657 0.12696029000016 18.998 > 1 2 F 0.67835875532657 0.17835875532657 0.37303970999984 18.998 > 2 3 F 0.32164124467343 0.82164124467343 0.37303970999984 18.998 > 3 4 F 0.17835875532657 0.32164124467343 0.37303970999984 18.998 > 4 5 F 0.82164124467343 0.32164124467343 0.12696029000016 18.998 > 5 6 F 0.67835875532657 0.82164124467343 0.12696029000016 18.998 > 6 7 F 0.32164124467343 0.17835875532657 0.12696029000016 18.998 > 7 8 F 0.82164124467343 0.67835875532657 0.37303970999984 18.998 > 8 9 F 0.67835875532657 0.17835875532657 0.62696029000016 18.998 > 1 10 F 0.17835875532657 0.67835875532657 0.87303970999984 18.998 > 2 11 F 0.82164124467343 0.32164124467343 0.87303970999984 18.998 > 3 12 F 0.67835875532657 0.82164124467343 0.87303970999984 18.998 > 4 13 F 0.32164124467343 0.82164124467343 0.62696029000016 18.998 > 5 14 F 0.17835875532657 0.32164124467343 0.62696029000016 18.998 > 6 15 F 0.82164124467343 0.67835875532657 0.62696029000016 18.998 > 7 16 F 0.32164124467343 0.17835875532657 0.87303970999984 18.998 > 8 *17 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 9 18 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 10 19 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 9 20 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 10 *21 Ag 0.00000000000000 0.50000000000000 0.00000000000000 107.868 > 11 22 Ag 0.50000000000000 0.00000000000000 0.00000000000000 107.868 > 12 23 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 11 24 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.047287839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.047287839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.487308929999999 Atomic positions (fractional): *1 F 0.08917937766329 0.33917937766329 0.12696029000016 18.998 > 1 2 F 0.58917937766329 0.33917937766329 0.12696029000016 18.998 > 1 3 F 0.08917937766329 0.83917937766329 0.12696029000016 18.998 > 1 4 F 0.58917937766329 0.83917937766329 0.12696029000016 18.998 > 1 5 F 0.33917937766329 0.08917937766329 0.37303970999984 18.998 > 2 6 F 0.83917937766329 0.08917937766329 0.37303970999984 18.998 > 2 7 F 0.33917937766329 0.58917937766329 0.37303970999984 18.998 > 2 8 F 0.83917937766329 0.58917937766329 0.37303970999984 18.998 > 2 9 F 0.16082062233671 0.41082062233671 0.37303970999984 18.998 > 3 10 F 0.66082062233671 0.41082062233671 0.37303970999984 18.998 > 3 11 F 0.16082062233671 0.91082062233671 0.37303970999984 18.998 > 3 12 F 0.66082062233671 0.91082062233671 0.37303970999984 18.998 > 3 13 F 0.08917937766329 0.16082062233671 0.37303970999984 18.998 > 4 14 F 0.58917937766329 0.16082062233671 0.37303970999984 18.998 > 4 15 F 0.08917937766329 0.66082062233671 0.37303970999984 18.998 > 4 16 F 0.58917937766329 0.66082062233671 0.37303970999984 18.998 > 4 17 F 0.41082062233671 0.16082062233671 0.12696029000016 18.998 > 5 18 F 0.91082062233671 0.16082062233671 0.12696029000016 18.998 > 5 19 F 0.41082062233671 0.66082062233671 0.12696029000016 18.998 > 5 20 F 0.91082062233671 0.66082062233671 0.12696029000016 18.998 > 5 21 F 0.33917937766329 0.41082062233671 0.12696029000016 18.998 > 6 22 F 0.83917937766329 0.41082062233671 0.12696029000016 18.998 > 6 23 F 0.33917937766329 0.91082062233671 0.12696029000016 18.998 > 6 24 F 0.83917937766329 0.91082062233671 0.12696029000016 18.998 > 6 25 F 0.16082062233671 0.08917937766329 0.12696029000016 18.998 > 7 26 F 0.66082062233671 0.08917937766329 0.12696029000016 18.998 > 7 27 F 0.16082062233671 0.58917937766329 0.12696029000016 18.998 > 7 28 F 0.66082062233671 0.58917937766329 0.12696029000016 18.998 > 7 29 F 0.41082062233671 0.33917937766329 0.37303970999984 18.998 > 8 30 F 0.91082062233671 0.33917937766329 0.37303970999984 18.998 > 8 31 F 0.41082062233671 0.83917937766329 0.37303970999984 18.998 > 8 32 F 0.91082062233671 0.83917937766329 0.37303970999984 18.998 > 8 33 F 0.33917937766329 0.08917937766329 0.62696029000016 18.998 > 1 34 F 0.83917937766329 0.08917937766329 0.62696029000016 18.998 > 1 35 F 0.33917937766329 0.58917937766329 0.62696029000016 18.998 > 1 36 F 0.83917937766329 0.58917937766329 0.62696029000016 18.998 > 1 37 F 0.08917937766329 0.33917937766329 0.87303970999984 18.998 > 2 38 F 0.58917937766329 0.33917937766329 0.87303970999984 18.998 > 2 39 F 0.08917937766329 0.83917937766329 0.87303970999984 18.998 > 2 40 F 0.58917937766329 0.83917937766329 0.87303970999984 18.998 > 2 41 F 0.41082062233671 0.16082062233671 0.87303970999984 18.998 > 3 42 F 0.91082062233671 0.16082062233671 0.87303970999984 18.998 > 3 43 F 0.41082062233671 0.66082062233671 0.87303970999984 18.998 > 3 44 F 0.91082062233671 0.66082062233671 0.87303970999984 18.998 > 3 45 F 0.33917937766329 0.41082062233671 0.87303970999984 18.998 > 4 46 F 0.83917937766329 0.41082062233671 0.87303970999984 18.998 > 4 47 F 0.33917937766329 0.91082062233671 0.87303970999984 18.998 > 4 48 F 0.83917937766329 0.91082062233671 0.87303970999984 18.998 > 4 49 F 0.16082062233671 0.41082062233671 0.62696029000016 18.998 > 5 50 F 0.66082062233671 0.41082062233671 0.62696029000016 18.998 > 5 51 F 0.16082062233671 0.91082062233671 0.62696029000016 18.998 > 5 52 F 0.66082062233671 0.91082062233671 0.62696029000016 18.998 > 5 53 F 0.08917937766329 0.16082062233671 0.62696029000016 18.998 > 6 54 F 0.58917937766329 0.16082062233671 0.62696029000016 18.998 > 6 55 F 0.08917937766329 0.66082062233671 0.62696029000016 18.998 > 6 56 F 0.58917937766329 0.66082062233671 0.62696029000016 18.998 > 6 57 F 0.41082062233671 0.33917937766329 0.62696029000016 18.998 > 7 58 F 0.91082062233671 0.33917937766329 0.62696029000016 18.998 > 7 59 F 0.41082062233671 0.83917937766329 0.62696029000016 18.998 > 7 60 F 0.91082062233671 0.83917937766329 0.62696029000016 18.998 > 7 61 F 0.16082062233671 0.08917937766329 0.87303970999984 18.998 > 8 62 F 0.66082062233671 0.08917937766329 0.87303970999984 18.998 > 8 63 F 0.16082062233671 0.58917937766329 0.87303970999984 18.998 > 8 64 F 0.66082062233671 0.58917937766329 0.87303970999984 18.998 > 8 *65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 9 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 9 67 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 9 68 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 9 69 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 10 70 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 10 71 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 10 72 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 10 73 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 9 74 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 9 75 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 9 76 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 9 77 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 10 78 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 10 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 10 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 10 *81 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 11 82 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 11 83 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 11 84 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 11 85 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 12 86 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 12 87 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 12 88 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 12 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 11 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 11 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 11 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 11 93 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 12 94 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 12 95 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 12 96 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7068897 0.0000000 0.0000000 0.0000000 2.7068897 0.0000000 0.0000000 0.0000000 2.9924290 -------------------------- Born effective charges -------------------------- 1 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 2 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 3 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 4 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 5 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 6 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 7 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 8 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 9 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 10 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 11 Ag 2.1526562 0.3692815 0.0000000 0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 12 Ag 2.1526562 -0.3692815 0.0000000 -0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 ---------------------------------------------------------------------------- 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: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 405 Number of blocks in projector: 405 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 109 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 85 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (405, 395), data: False |-- (73, 70), data: True |-- (85, 83), data: True |-- (109, 106), data: True |-- (138, 136), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 160 - Time: 0.291 Solver_block: 160 / 160 - Time: 0.215 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.545 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 288/288 Permutation basis: 6624/6624 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 405 Number of blocks in projector: 405 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 138 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 109 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 85 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 73 Use standard eigh solver. Tree of FC basis block matrices: - (405, 395), data: False |-- (73, 70), data: True |-- (85, 83), data: True |-- (109, 106), data: True |-- (138, 136), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:20:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.761821960000000 2.761821960000000 5.243654465000000 b 2.761821960000000 -2.761821960000000 5.243654465000000 c 2.761821960000000 2.761821960000000 -5.243654465000000 Atomic positions (fractional): 1 F 0.80531904532674 0.30531904532674 0.85671751065315 18.998 2 F 0.55139846532641 0.05139846532641 0.85671751065315 18.998 3 F 0.19468095467326 0.69468095467326 0.14328248934685 18.998 4 F 0.69468095467326 0.55139846532641 0.50000000000000 18.998 5 F 0.44860153467359 0.94860153467359 0.14328248934685 18.998 6 F 0.94860153467359 0.80531904532674 0.50000000000000 18.998 7 F 0.30531904532674 0.44860153467359 0.50000000000000 18.998 8 F 0.05139846532641 0.19468095467326 0.50000000000000 18.998 9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 11 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.047287839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.047287839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.487308929999999 Atomic positions (fractional): 1 F 0.08917937766329 0.33917937766329 0.12696029000016 18.998 > 1 2 F 0.58917937766329 0.33917937766329 0.12696029000016 18.998 > 1 3 F 0.08917937766329 0.83917937766329 0.12696029000016 18.998 > 1 4 F 0.58917937766329 0.83917937766329 0.12696029000016 18.998 > 1 5 F 0.33917937766329 0.08917937766329 0.37303970999984 18.998 > 5 6 F 0.83917937766329 0.08917937766329 0.37303970999984 18.998 > 5 7 F 0.33917937766329 0.58917937766329 0.37303970999984 18.998 > 5 8 F 0.83917937766329 0.58917937766329 0.37303970999984 18.998 > 5 9 F 0.16082062233671 0.41082062233671 0.37303970999984 18.998 > 9 10 F 0.66082062233671 0.41082062233671 0.37303970999984 18.998 > 9 11 F 0.16082062233671 0.91082062233671 0.37303970999984 18.998 > 9 12 F 0.66082062233671 0.91082062233671 0.37303970999984 18.998 > 9 13 F 0.08917937766329 0.16082062233671 0.37303970999984 18.998 > 13 14 F 0.58917937766329 0.16082062233671 0.37303970999984 18.998 > 13 15 F 0.08917937766329 0.66082062233671 0.37303970999984 18.998 > 13 16 F 0.58917937766329 0.66082062233671 0.37303970999984 18.998 > 13 17 F 0.41082062233671 0.16082062233671 0.12696029000016 18.998 > 17 18 F 0.91082062233671 0.16082062233671 0.12696029000016 18.998 > 17 19 F 0.41082062233671 0.66082062233671 0.12696029000016 18.998 > 17 20 F 0.91082062233671 0.66082062233671 0.12696029000016 18.998 > 17 21 F 0.33917937766329 0.41082062233671 0.12696029000016 18.998 > 21 22 F 0.83917937766329 0.41082062233671 0.12696029000016 18.998 > 21 23 F 0.33917937766329 0.91082062233671 0.12696029000016 18.998 > 21 24 F 0.83917937766329 0.91082062233671 0.12696029000016 18.998 > 21 25 F 0.16082062233671 0.08917937766329 0.12696029000016 18.998 > 25 26 F 0.66082062233671 0.08917937766329 0.12696029000016 18.998 > 25 27 F 0.16082062233671 0.58917937766329 0.12696029000016 18.998 > 25 28 F 0.66082062233671 0.58917937766329 0.12696029000016 18.998 > 25 29 F 0.41082062233671 0.33917937766329 0.37303970999984 18.998 > 29 30 F 0.91082062233671 0.33917937766329 0.37303970999984 18.998 > 29 31 F 0.41082062233671 0.83917937766329 0.37303970999984 18.998 > 29 32 F 0.91082062233671 0.83917937766329 0.37303970999984 18.998 > 29 33 F 0.33917937766329 0.08917937766329 0.62696029000016 18.998 > 1 34 F 0.83917937766329 0.08917937766329 0.62696029000016 18.998 > 1 35 F 0.33917937766329 0.58917937766329 0.62696029000016 18.998 > 1 36 F 0.83917937766329 0.58917937766329 0.62696029000016 18.998 > 1 37 F 0.08917937766329 0.33917937766329 0.87303970999984 18.998 > 5 38 F 0.58917937766329 0.33917937766329 0.87303970999984 18.998 > 5 39 F 0.08917937766329 0.83917937766329 0.87303970999984 18.998 > 5 40 F 0.58917937766329 0.83917937766329 0.87303970999984 18.998 > 5 41 F 0.41082062233671 0.16082062233671 0.87303970999984 18.998 > 9 42 F 0.91082062233671 0.16082062233671 0.87303970999984 18.998 > 9 43 F 0.41082062233671 0.66082062233671 0.87303970999984 18.998 > 9 44 F 0.91082062233671 0.66082062233671 0.87303970999984 18.998 > 9 45 F 0.33917937766329 0.41082062233671 0.87303970999984 18.998 > 13 46 F 0.83917937766329 0.41082062233671 0.87303970999984 18.998 > 13 47 F 0.33917937766329 0.91082062233671 0.87303970999984 18.998 > 13 48 F 0.83917937766329 0.91082062233671 0.87303970999984 18.998 > 13 49 F 0.16082062233671 0.41082062233671 0.62696029000016 18.998 > 17 50 F 0.66082062233671 0.41082062233671 0.62696029000016 18.998 > 17 51 F 0.16082062233671 0.91082062233671 0.62696029000016 18.998 > 17 52 F 0.66082062233671 0.91082062233671 0.62696029000016 18.998 > 17 53 F 0.08917937766329 0.16082062233671 0.62696029000016 18.998 > 21 54 F 0.58917937766329 0.16082062233671 0.62696029000016 18.998 > 21 55 F 0.08917937766329 0.66082062233671 0.62696029000016 18.998 > 21 56 F 0.58917937766329 0.66082062233671 0.62696029000016 18.998 > 21 57 F 0.41082062233671 0.33917937766329 0.62696029000016 18.998 > 25 58 F 0.91082062233671 0.33917937766329 0.62696029000016 18.998 > 25 59 F 0.41082062233671 0.83917937766329 0.62696029000016 18.998 > 25 60 F 0.91082062233671 0.83917937766329 0.62696029000016 18.998 > 25 61 F 0.16082062233671 0.08917937766329 0.87303970999984 18.998 > 29 62 F 0.66082062233671 0.08917937766329 0.87303970999984 18.998 > 29 63 F 0.16082062233671 0.58917937766329 0.87303970999984 18.998 > 29 64 F 0.66082062233671 0.58917937766329 0.87303970999984 18.998 > 29 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 69 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 69 72 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 69 73 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 65 74 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 65 75 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 65 76 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 69 78 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 81 83 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 81 84 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 81 85 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 85 86 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 85 87 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 85 88 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 85 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 81 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 81 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 81 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 81 93 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 85 94 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 85 95 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 85 96 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7068897 0.0000000 0.0000000 0.0000000 2.7068897 0.0000000 0.0000000 0.0000000 2.9924290 -------------------------- Born effective charges -------------------------- 1 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 2 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 3 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 4 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 5 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 6 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 7 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 8 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 9 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 10 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 11 Ag 2.1526562 0.3692815 0.0000000 0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 12 Ag 2.1526562 -0.3692815 0.0000000 -0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 ---------------------------------------------------------------------------- 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:20:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:20:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/mcm (140) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -2.761821960000000 2.761821960000000 5.243654465000000 b 2.761821960000000 -2.761821960000000 5.243654465000000 c 2.761821960000000 2.761821960000000 -5.243654465000000 Atomic positions (fractional): 1 F 0.80531904532674 0.30531904532674 0.85671751065315 18.998 2 F 0.55139846532641 0.05139846532641 0.85671751065315 18.998 3 F 0.19468095467326 0.69468095467326 0.14328248934685 18.998 4 F 0.69468095467326 0.55139846532641 0.50000000000000 18.998 5 F 0.44860153467359 0.94860153467359 0.14328248934685 18.998 6 F 0.94860153467359 0.80531904532674 0.50000000000000 18.998 7 F 0.30531904532674 0.44860153467359 0.50000000000000 18.998 8 F 0.05139846532641 0.19468095467326 0.50000000000000 18.998 9 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 10 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 11 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 12 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.047287839999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.047287839999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.487308929999999 Atomic positions (fractional): 1 F 0.08917937766329 0.33917937766329 0.12696029000016 18.998 > 1 2 F 0.58917937766329 0.33917937766329 0.12696029000016 18.998 > 1 3 F 0.08917937766329 0.83917937766329 0.12696029000016 18.998 > 1 4 F 0.58917937766329 0.83917937766329 0.12696029000016 18.998 > 1 5 F 0.33917937766329 0.08917937766329 0.37303970999984 18.998 > 5 6 F 0.83917937766329 0.08917937766329 0.37303970999984 18.998 > 5 7 F 0.33917937766329 0.58917937766329 0.37303970999984 18.998 > 5 8 F 0.83917937766329 0.58917937766329 0.37303970999984 18.998 > 5 9 F 0.16082062233671 0.41082062233671 0.37303970999984 18.998 > 9 10 F 0.66082062233671 0.41082062233671 0.37303970999984 18.998 > 9 11 F 0.16082062233671 0.91082062233671 0.37303970999984 18.998 > 9 12 F 0.66082062233671 0.91082062233671 0.37303970999984 18.998 > 9 13 F 0.08917937766329 0.16082062233671 0.37303970999984 18.998 > 13 14 F 0.58917937766329 0.16082062233671 0.37303970999984 18.998 > 13 15 F 0.08917937766329 0.66082062233671 0.37303970999984 18.998 > 13 16 F 0.58917937766329 0.66082062233671 0.37303970999984 18.998 > 13 17 F 0.41082062233671 0.16082062233671 0.12696029000016 18.998 > 17 18 F 0.91082062233671 0.16082062233671 0.12696029000016 18.998 > 17 19 F 0.41082062233671 0.66082062233671 0.12696029000016 18.998 > 17 20 F 0.91082062233671 0.66082062233671 0.12696029000016 18.998 > 17 21 F 0.33917937766329 0.41082062233671 0.12696029000016 18.998 > 21 22 F 0.83917937766329 0.41082062233671 0.12696029000016 18.998 > 21 23 F 0.33917937766329 0.91082062233671 0.12696029000016 18.998 > 21 24 F 0.83917937766329 0.91082062233671 0.12696029000016 18.998 > 21 25 F 0.16082062233671 0.08917937766329 0.12696029000016 18.998 > 25 26 F 0.66082062233671 0.08917937766329 0.12696029000016 18.998 > 25 27 F 0.16082062233671 0.58917937766329 0.12696029000016 18.998 > 25 28 F 0.66082062233671 0.58917937766329 0.12696029000016 18.998 > 25 29 F 0.41082062233671 0.33917937766329 0.37303970999984 18.998 > 29 30 F 0.91082062233671 0.33917937766329 0.37303970999984 18.998 > 29 31 F 0.41082062233671 0.83917937766329 0.37303970999984 18.998 > 29 32 F 0.91082062233671 0.83917937766329 0.37303970999984 18.998 > 29 33 F 0.33917937766329 0.08917937766329 0.62696029000016 18.998 > 1 34 F 0.83917937766329 0.08917937766329 0.62696029000016 18.998 > 1 35 F 0.33917937766329 0.58917937766329 0.62696029000016 18.998 > 1 36 F 0.83917937766329 0.58917937766329 0.62696029000016 18.998 > 1 37 F 0.08917937766329 0.33917937766329 0.87303970999984 18.998 > 5 38 F 0.58917937766329 0.33917937766329 0.87303970999984 18.998 > 5 39 F 0.08917937766329 0.83917937766329 0.87303970999984 18.998 > 5 40 F 0.58917937766329 0.83917937766329 0.87303970999984 18.998 > 5 41 F 0.41082062233671 0.16082062233671 0.87303970999984 18.998 > 9 42 F 0.91082062233671 0.16082062233671 0.87303970999984 18.998 > 9 43 F 0.41082062233671 0.66082062233671 0.87303970999984 18.998 > 9 44 F 0.91082062233671 0.66082062233671 0.87303970999984 18.998 > 9 45 F 0.33917937766329 0.41082062233671 0.87303970999984 18.998 > 13 46 F 0.83917937766329 0.41082062233671 0.87303970999984 18.998 > 13 47 F 0.33917937766329 0.91082062233671 0.87303970999984 18.998 > 13 48 F 0.83917937766329 0.91082062233671 0.87303970999984 18.998 > 13 49 F 0.16082062233671 0.41082062233671 0.62696029000016 18.998 > 17 50 F 0.66082062233671 0.41082062233671 0.62696029000016 18.998 > 17 51 F 0.16082062233671 0.91082062233671 0.62696029000016 18.998 > 17 52 F 0.66082062233671 0.91082062233671 0.62696029000016 18.998 > 17 53 F 0.08917937766329 0.16082062233671 0.62696029000016 18.998 > 21 54 F 0.58917937766329 0.16082062233671 0.62696029000016 18.998 > 21 55 F 0.08917937766329 0.66082062233671 0.62696029000016 18.998 > 21 56 F 0.58917937766329 0.66082062233671 0.62696029000016 18.998 > 21 57 F 0.41082062233671 0.33917937766329 0.62696029000016 18.998 > 25 58 F 0.91082062233671 0.33917937766329 0.62696029000016 18.998 > 25 59 F 0.41082062233671 0.83917937766329 0.62696029000016 18.998 > 25 60 F 0.91082062233671 0.83917937766329 0.62696029000016 18.998 > 25 61 F 0.16082062233671 0.08917937766329 0.87303970999984 18.998 > 29 62 F 0.66082062233671 0.08917937766329 0.87303970999984 18.998 > 29 63 F 0.16082062233671 0.58917937766329 0.87303970999984 18.998 > 29 64 F 0.66082062233671 0.58917937766329 0.87303970999984 18.998 > 29 65 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 65 66 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 65 67 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 65 68 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 65 69 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 > 69 70 Na 0.75000000000000 0.25000000000000 0.25000000000000 22.990 > 69 71 Na 0.25000000000000 0.75000000000000 0.25000000000000 22.990 > 69 72 Na 0.75000000000000 0.75000000000000 0.25000000000000 22.990 > 69 73 Na 0.25000000000000 0.25000000000000 0.75000000000000 22.990 > 65 74 Na 0.75000000000000 0.25000000000000 0.75000000000000 22.990 > 65 75 Na 0.25000000000000 0.75000000000000 0.75000000000000 22.990 > 65 76 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 > 65 77 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 69 78 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 69 79 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 69 80 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 69 81 Ag 0.00000000000000 0.25000000000000 0.00000000000000 107.868 > 81 82 Ag 0.50000000000000 0.25000000000000 0.00000000000000 107.868 > 81 83 Ag 0.00000000000000 0.75000000000000 0.00000000000000 107.868 > 81 84 Ag 0.50000000000000 0.75000000000000 0.00000000000000 107.868 > 81 85 Ag 0.25000000000000 0.00000000000000 0.00000000000000 107.868 > 85 86 Ag 0.75000000000000 0.00000000000000 0.00000000000000 107.868 > 85 87 Ag 0.25000000000000 0.50000000000000 0.00000000000000 107.868 > 85 88 Ag 0.75000000000000 0.50000000000000 0.00000000000000 107.868 > 85 89 Ag 0.25000000000000 0.00000000000000 0.50000000000000 107.868 > 81 90 Ag 0.75000000000000 0.00000000000000 0.50000000000000 107.868 > 81 91 Ag 0.25000000000000 0.50000000000000 0.50000000000000 107.868 > 81 92 Ag 0.75000000000000 0.50000000000000 0.50000000000000 107.868 > 81 93 Ag 0.00000000000000 0.25000000000000 0.50000000000000 107.868 > 85 94 Ag 0.50000000000000 0.25000000000000 0.50000000000000 107.868 > 85 95 Ag 0.00000000000000 0.75000000000000 0.50000000000000 107.868 > 85 96 Ag 0.50000000000000 0.75000000000000 0.50000000000000 107.868 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7068897 0.0000000 0.0000000 0.0000000 2.7068897 0.0000000 0.0000000 0.0000000 2.9924290 -------------------------- Born effective charges -------------------------- 1 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 2 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 3 F -0.8251357 -0.2272413 -0.3467711 -0.2272413 -0.8251357 -0.3467711 -0.3040675 -0.3040675 -0.8408997 4 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 5 F -0.8251357 -0.2272413 0.3467711 -0.2272413 -0.8251357 0.3467711 0.3040675 0.3040675 -0.8408997 6 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 7 F -0.8251357 0.2272413 0.3467711 0.2272413 -0.8251357 -0.3467711 0.3040675 -0.3040675 -0.8408997 8 F -0.8251357 0.2272413 -0.3467711 0.2272413 -0.8251357 0.3467711 -0.3040675 0.3040675 -0.8408997 9 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 10 Na 1.1478867 -0.0000000 0.0000000 -0.0000000 1.1478867 0.0000000 0.0000000 0.0000000 1.4511876 11 Ag 2.1526562 0.3692815 0.0000000 0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 12 Ag 2.1526562 -0.3692815 0.0000000 -0.3692815 2.1526562 0.0000000 0.0000000 0.0000000 1.9124112 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 9 90 ] Grid generation matrix: [ 0 9 9 ] [ 9 0 9 ] [ 5 5 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.713 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.199 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 15.312 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 16.993 ( 0.000 0.000 0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.228 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( 12.875 12.875 0.000) 18.208 0.579 ( 13.794 13.794 0.000) 19.508 1.121 ( 26.536 26.536 0.000) 37.527 1.789 ( 1.610 1.610 0.000) 2.277 2.559 ( 1.365 1.365 0.000) 1.930 2.650 ( 4.835 4.835 0.000) 6.838 3.137 ( -5.677 -5.677 0.000) 8.029 3.374 ( -5.727 -5.727 0.000) 8.100 3.807 ( 1.206 1.206 0.000) 1.706 4.454 ( 0.414 0.414 0.000) 0.585 4.675 ( -6.936 -6.936 0.000) 9.810 4.728 ( 5.649 5.649 0.000) 7.988 4.760 ( -4.437 -4.437 0.000) 6.275 4.996 ( 3.006 3.006 0.000) 4.251 5.137 ( -5.772 -5.772 0.000) 8.162 5.289 ( -0.225 -0.225 0.000) 0.318 5.315 ( 0.468 0.468 0.000) 0.662 5.922 ( 7.697 7.697 0.000) 10.886 6.318 ( -5.493 -5.493 0.000) 7.769 6.506 ( 4.344 4.344 0.000) 6.144 6.800 ( -0.324 -0.324 0.000) 0.458 6.975 ( 2.110 2.110 0.000) 2.984 7.211 ( 0.442 0.442 0.000) 0.625 7.576 ( -0.982 -0.982 0.000) 1.389 7.599 ( 1.626 1.626 0.000) 2.299 7.633 ( -2.695 -2.695 0.000) 3.811 8.010 ( 1.535 1.535 0.000) 2.170 8.697 ( -4.251 -4.251 0.000) 6.012 14.270 ( -3.724 -3.724 0.000) 5.267 14.364 ( 0.564 0.564 0.000) 0.798 15.319 ( 0.342 0.342 0.000) 0.483 15.606 ( -0.494 -0.494 0.000) 0.698 17.056 ( 2.326 2.326 0.000) 3.290 17.082 ( 0.534 0.534 0.000) 0.755 17.233 ( 0.750 0.750 0.000) 1.060 18.012 ( -0.655 -0.655 0.000) 0.926 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 13.138 13.138 0.000) 18.580 1.086 ( 11.121 11.121 0.000) 15.727 1.875 ( 2.491 2.491 0.000) 3.523 2.083 ( 20.655 20.655 0.000) 29.211 2.637 ( 2.427 2.427 0.000) 3.432 2.784 ( 0.072 0.072 0.000) 0.101 2.918 ( -4.710 -4.710 0.000) 6.661 3.049 ( -9.924 -9.924 0.000) 14.035 3.728 ( -4.767 -4.767 0.000) 6.742 4.464 ( -1.876 -1.876 0.000) 2.653 4.499 ( -8.481 -8.481 0.000) 11.995 4.584 ( 5.115 5.115 0.000) 7.233 4.968 ( -1.782 -1.782 0.000) 2.521 4.986 ( 6.771 6.771 0.000) 9.576 5.184 ( 6.286 6.286 0.000) 8.890 5.244 ( -1.559 -1.559 0.000) 2.205 5.355 ( 1.411 1.411 0.000) 1.995 6.053 ( -6.711 -6.711 0.000) 9.491 6.229 ( 7.013 7.013 0.000) 9.918 6.697 ( 4.585 4.585 0.000) 6.484 6.806 ( 0.776 0.776 0.000) 1.098 7.101 ( 4.076 4.076 0.000) 5.764 7.224 ( 0.116 0.116 0.000) 0.164 7.478 ( -4.808 -4.808 0.000) 6.799 7.511 ( -2.261 -2.261 0.000) 3.198 7.660 ( 1.035 1.035 0.000) 1.463 8.061 ( 0.605 0.605 0.000) 0.855 8.459 ( -7.245 -7.245 0.000) 10.246 14.096 ( -4.383 -4.383 0.000) 6.199 14.396 ( 0.988 0.988 0.000) 1.397 15.338 ( 0.547 0.547 0.000) 0.773 15.569 ( -1.344 -1.344 0.000) 1.900 17.093 ( -0.452 -0.452 0.000) 0.639 17.106 ( 0.594 0.594 0.000) 0.840 17.340 ( 4.068 4.068 0.000) 5.754 17.968 ( -1.574 -1.574 0.000) 2.226 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 6.492 6.492 0.000) 9.182 1.572 ( 13.009 13.009 0.000) 18.398 1.986 ( 3.150 3.150 0.000) 4.454 2.620 ( -7.064 -7.064 0.000) 9.989 2.632 ( -9.522 -9.522 0.000) 13.466 2.742 ( 2.579 2.579 0.000) 3.647 2.749 ( 11.808 11.808 0.000) 16.699 2.774 ( -2.427 -2.427 0.000) 3.432 3.482 ( -6.965 -6.965 0.000) 9.849 4.127 ( -9.093 -9.093 0.000) 12.860 4.529 ( 3.375 3.375 0.000) 4.773 4.786 ( 4.434 4.434 0.000) 6.270 4.996 ( 2.603 2.603 0.000) 3.682 5.171 ( 0.692 0.692 0.000) 0.978 5.214 ( 0.708 0.708 0.000) 1.001 5.417 ( 1.439 1.439 0.000) 2.036 5.484 ( 8.126 8.126 0.000) 11.491 5.898 ( 0.600 0.600 0.000) 0.849 6.457 ( 4.023 4.023 0.000) 5.689 6.848 ( 2.709 2.709 0.000) 3.831 6.859 ( 1.706 1.706 0.000) 2.413 7.215 ( -0.613 -0.613 0.000) 0.866 7.271 ( -4.992 -4.992 0.000) 7.059 7.288 ( 4.869 4.869 0.000) 6.886 7.400 ( -2.999 -2.999 0.000) 4.241 7.653 ( -1.741 -1.741 0.000) 2.461 8.047 ( -1.145 -1.145 0.000) 1.619 8.157 ( -6.966 -6.966 0.000) 9.852 13.945 ( -2.938 -2.938 0.000) 4.154 14.438 ( 0.995 0.995 0.000) 1.407 15.354 ( 0.038 0.038 0.000) 0.054 15.510 ( -1.259 -1.259 0.000) 1.780 17.063 ( -0.767 -0.767 0.000) 1.085 17.125 ( 0.301 0.301 0.000) 0.425 17.496 ( 3.248 3.248 0.000) 4.593 17.892 ( -2.022 -2.022 0.000) 2.859 ======================= Grid point 4 (5/90) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 1.676 1.676 0.000) 2.370 2.017 ( 7.391 7.391 0.000) 10.453 2.132 ( 4.042 4.042 0.000) 5.716 2.332 ( -4.280 -4.280 0.000) 6.053 2.334 ( -6.122 -6.122 0.000) 8.658 2.719 ( -0.433 -0.433 0.000) 0.612 2.826 ( 1.296 1.296 0.000) 1.832 3.062 ( 3.739 3.739 0.000) 5.288 3.215 ( -5.056 -5.056 0.000) 7.150 3.843 ( -4.129 -4.129 0.000) 5.839 4.615 ( 0.750 0.750 0.000) 1.061 4.930 ( 2.703 2.703 0.000) 3.823 5.080 ( -3.160 -3.160 0.000) 4.469 5.111 ( 2.135 2.135 0.000) 3.019 5.300 ( 2.363 2.363 0.000) 3.342 5.455 ( 0.366 0.366 0.000) 0.518 5.764 ( 4.507 4.507 0.000) 6.374 6.030 ( 3.283 3.283 0.000) 4.643 6.546 ( 0.686 0.686 0.000) 0.970 6.909 ( 0.490 0.490 0.000) 0.694 6.927 ( 1.308 1.308 0.000) 1.849 7.123 ( -1.950 -1.950 0.000) 2.758 7.181 ( -0.794 -0.794 0.000) 1.124 7.304 ( -1.375 -1.375 0.000) 1.945 7.442 ( 1.632 1.632 0.000) 2.308 7.542 ( -2.038 -2.038 0.000) 2.883 7.959 ( -2.542 -2.542 0.000) 3.595 7.998 ( -0.888 -0.888 0.000) 1.256 13.866 ( -0.981 -0.981 0.000) 1.388 14.468 ( 0.426 0.426 0.000) 0.602 15.338 ( -0.490 -0.490 0.000) 0.694 15.485 ( -0.111 -0.111 0.000) 0.157 17.041 ( -0.285 -0.285 0.000) 0.403 17.132 ( 0.062 0.062 0.000) 0.088 17.585 ( 1.138 1.138 0.000) 1.609 17.826 ( -0.985 -0.985 0.000) 1.393 ======================= Grid point 9 (6/90) ======================= q-point: ( 0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 16.877 8.427) 18.864 1.037 ( 0.000 21.368 6.792) 22.421 1.573 ( 0.000 27.348 13.873) 30.666 1.852 ( 0.000 2.313 3.482) 4.180 2.614 ( -0.000 5.367 -4.826) 7.218 2.644 ( -0.000 6.452 -3.601) 7.389 3.089 ( -0.000 -7.841 0.316) 7.848 3.105 ( -0.000 -9.136 -6.919) 11.460 3.977 ( -0.000 7.866 -3.420) 8.577 4.317 ( -0.000 -0.289 -11.297) 11.300 4.437 ( -0.000 -9.333 -3.024) 9.811 4.596 ( -0.000 1.194 -3.750) 3.935 4.900 ( -0.000 2.906 -4.148) 5.065 5.040 ( 0.000 -1.983 13.009) 13.159 5.186 ( 0.000 -3.896 1.548) 4.192 5.211 ( 0.000 -3.396 5.564) 6.518 5.593 ( 0.000 -7.452 16.497) 18.102 6.098 ( 0.000 11.626 3.492) 12.139 6.219 ( -0.000 -10.692 2.125) 10.901 6.600 ( 0.000 7.961 -0.518) 7.978 6.691 ( 0.000 -5.396 2.873) 6.113 6.979 ( -0.000 3.319 -2.228) 3.997 7.340 ( 0.000 4.227 0.600) 4.270 7.537 ( -0.000 -4.174 -0.660) 4.226 7.577 ( -0.000 -3.193 -1.202) 3.412 7.597 ( 0.000 1.034 1.876) 2.142 8.007 ( -0.000 2.201 -1.133) 2.476 8.497 ( -0.000 0.282 -14.461) 14.464 14.237 ( -0.000 -2.337 -4.108) 4.726 14.306 ( -0.000 -2.660 0.370) 2.685 15.311 ( -0.000 0.982 -1.562) 1.845 15.526 ( -0.000 -3.321 -0.140) 3.324 17.090 ( -0.000 3.994 -1.659) 4.325 17.206 ( 0.000 0.578 0.177) 0.604 17.284 ( 0.000 6.358 7.060) 9.502 18.040 ( 0.000 -4.942 4.707) 6.825 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.21 -0.01 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 4.120 14.613 5.596) 16.181 1.424 ( -1.763 20.438 5.321) 21.193 1.899 ( 0.415 3.062 0.927) 3.226 2.237 ( 11.920 19.388 5.487) 23.411 2.666 ( -2.320 3.742 -5.271) 6.868 2.775 ( -0.264 -0.041 -0.961) 0.997 2.876 ( -2.671 -9.777 -5.600) 11.579 2.906 ( -2.051 -6.813 2.516) 7.547 3.939 ( -11.887 4.006 -2.715) 12.834 4.160 ( 0.382 -11.356 0.797) 11.390 4.508 ( 9.645 -1.244 -4.328) 10.644 4.593 ( -0.007 2.807 -1.093) 3.013 4.840 ( -7.133 -3.182 -4.391) 8.960 5.058 ( 4.676 0.069 2.814) 5.458 5.155 ( 1.299 5.556 0.376) 5.718 5.275 ( 6.779 -2.262 5.917) 9.278 5.536 ( -1.123 3.651 7.922) 8.795 5.947 ( -2.728 -11.073 1.576) 11.513 6.373 ( 2.878 10.924 2.651) 11.604 6.645 ( 5.736 -5.757 2.853) 8.613 6.775 ( 0.384 7.852 -1.425) 7.990 7.081 ( 2.855 3.901 -1.317) 5.011 7.373 ( -2.918 2.141 -0.548) 3.661 7.392 ( -2.290 -6.483 -1.732) 7.090 7.501 ( -2.148 -2.111 0.527) 3.057 7.645 ( 2.030 -0.023 1.148) 2.333 8.051 ( 0.028 1.122 -0.411) 1.195 8.388 ( -5.011 -4.855 -7.273) 10.078 14.135 ( -3.770 -3.623 1.948) 5.580 14.284 ( 3.043 -1.965 -3.244) 4.862 15.338 ( 0.232 1.288 -0.828) 1.549 15.468 ( 1.508 -4.130 -0.110) 4.398 17.144 ( -1.868 1.703 0.359) 2.553 17.260 ( 2.266 2.291 -1.567) 3.583 17.386 ( -2.966 7.891 5.295) 9.955 17.947 ( -0.693 -3.867 1.023) 4.060 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.21 -0.01 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 3.130 8.819 5.704) 10.959 1.818 ( 1.733 18.517 3.120) 18.858 1.979 ( 1.942 3.107 -2.131) 4.238 2.434 ( -3.377 -13.722 -5.173) 15.048 2.626 ( -6.065 -9.147 2.735) 11.311 2.678 ( -0.814 0.119 -3.807) 3.895 2.782 ( 6.175 7.574 1.531) 9.891 2.850 ( 0.711 1.262 2.508) 2.896 3.759 ( -15.186 6.092 0.719) 16.378 3.960 ( -0.944 -10.160 -0.026) 10.204 4.574 ( 2.449 1.597 -3.829) 4.818 4.636 ( 6.616 -8.232 -3.613) 11.162 4.869 ( 4.017 5.878 4.674) 8.517 5.116 ( 4.798 -1.755 -1.585) 5.349 5.238 ( 0.168 -0.809 3.958) 4.043 5.476 ( 6.193 6.834 -2.206) 9.483 5.635 ( -0.400 4.363 5.150) 6.761 5.790 ( 2.481 0.303 -2.007) 3.206 6.618 ( 0.986 8.368 3.451) 9.105 6.666 ( 7.344 -5.227 2.320) 9.308 6.907 ( -0.991 5.451 -1.540) 5.751 7.182 ( -2.002 -8.064 -2.606) 8.708 7.236 ( 4.744 3.178 -1.330) 5.863 7.334 ( -2.086 -2.157 -1.969) 3.590 7.436 ( -4.256 2.868 3.001) 5.945 7.638 ( -1.250 -1.997 -0.730) 2.466 8.034 ( -1.704 -1.029 0.256) 2.007 8.164 ( -6.152 -4.551 -2.604) 8.084 13.995 ( -3.003 -2.752 4.279) 5.908 14.319 ( 3.486 -1.569 -4.508) 5.910 15.351 ( -0.025 -0.974 0.663) 1.178 15.430 ( 1.596 -1.927 -1.095) 2.731 17.124 ( -1.700 0.488 1.708) 2.459 17.317 ( -2.422 3.643 3.901) 5.862 17.505 ( -1.023 7.172 -1.915) 7.494 17.849 ( -1.471 -3.625 -1.904) 4.351 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.21 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -0.499 3.422 4.848) 5.955 2.072 ( 3.404 -3.811 -3.016) 5.933 2.135 ( 3.101 -0.016 -2.527) 4.000 2.213 ( -1.506 8.692 -0.575) 8.840 2.336 ( -3.357 -7.646 4.776) 9.620 2.653 ( -0.354 -0.193 -2.625) 2.656 2.905 ( 1.084 1.079 3.173) 3.523 2.926 ( 2.581 -2.090 0.176) 3.326 3.616 ( -13.889 9.843 1.561) 17.095 3.753 ( -3.402 -3.312 -4.280) 6.392 4.625 ( 0.774 0.046 -0.411) 0.877 4.648 ( 13.351 -12.245 -2.318) 18.264 5.000 ( 3.645 -0.435 6.211) 7.215 5.149 ( -2.530 -1.555 2.311) 3.763 5.242 ( 4.674 1.100 1.693) 5.091 5.701 ( 1.726 5.645 -1.354) 6.056 5.719 ( 0.755 2.814 -0.532) 2.962 5.920 ( 0.570 4.129 -8.202) 9.200 6.686 ( 7.329 -6.031 2.340) 9.776 6.756 ( -2.674 5.046 6.422) 8.594 6.947 ( -1.856 2.008 -1.206) 2.989 7.037 ( 0.523 -3.792 -3.247) 5.020 7.256 ( 0.339 -2.567 -0.905) 2.742 7.383 ( 4.283 1.920 -2.103) 5.144 7.427 ( -4.879 4.970 2.576) 7.426 7.518 ( -4.100 -3.201 -1.798) 5.504 7.968 ( -1.727 -0.892 0.795) 2.100 8.017 ( -2.416 -1.001 -0.369) 2.641 13.916 ( -0.881 -1.122 5.189) 5.382 14.349 ( 2.857 -2.004 -4.845) 5.971 15.316 ( 0.833 -2.243 1.009) 2.596 15.443 ( 0.701 0.014 -1.102) 1.306 17.106 ( -1.210 0.746 2.080) 2.519 17.329 ( -3.901 4.088 6.345) 8.496 17.604 ( -2.127 5.412 -3.588) 6.833 17.758 ( -0.868 -2.430 -4.897) 5.536 ======================= Grid point 17 (10/90) ======================= q-point: ( 0.21 -0.01 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -10.335 10.335 11.713) 18.730 0.738 ( -11.183 11.183 13.690) 20.917 1.300 ( -20.935 20.935 17.691) 34.489 1.832 ( -1.679 1.679 4.129) 4.763 2.507 ( -1.321 1.321 -5.339) 5.657 2.611 ( -5.433 5.433 -3.989) 8.657 3.121 ( 5.510 -5.510 -1.655) 7.967 3.277 ( 3.508 -3.508 -6.854) 8.461 3.796 ( -1.152 1.152 -1.087) 1.958 4.374 ( -2.661 2.661 -8.693) 9.472 4.474 ( -0.151 0.151 -18.422) 18.423 4.576 ( -2.048 2.048 -4.703) 5.524 4.956 ( 5.904 -5.904 9.171) 12.403 5.012 ( 0.331 -0.331 12.932) 12.940 5.177 ( 3.031 -3.031 4.537) 6.241 5.317 ( -0.709 0.709 0.205) 1.023 5.752 ( 12.301 -12.301 25.216) 30.634 5.934 ( -7.379 7.379 1.392) 10.528 6.339 ( 4.946 -4.946 2.204) 7.333 6.510 ( -3.322 3.322 0.638) 4.741 6.823 ( 0.230 -0.230 2.304) 2.327 6.948 ( -2.030 2.030 -2.299) 3.679 7.234 ( -0.463 0.463 2.242) 2.335 7.563 ( 0.766 -0.766 -1.045) 1.505 7.613 ( -2.056 2.056 1.233) 3.159 7.618 ( 2.818 -2.818 -1.495) 4.257 7.993 ( -1.652 1.652 -1.764) 2.928 8.430 ( -4.026 4.026 -20.147) 20.936 14.286 ( 2.485 -2.485 -0.663) 3.577 14.307 ( -0.512 0.512 -5.694) 5.739 15.301 ( -0.357 0.357 -1.639) 1.715 15.578 ( 0.640 -0.640 -2.070) 2.260 17.079 ( -3.096 3.096 0.658) 4.427 17.144 ( -0.607 0.607 6.188) 6.247 17.212 ( -1.207 1.207 2.075) 2.687 18.112 ( 4.561 -4.561 6.770) 9.351 ======================= Grid point 18 (11/90) ======================= q-point: ( 0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.000 10.573 7.071) 12.719 1.832 ( 0.000 2.728 -0.441) 2.763 2.000 ( 0.000 10.137 3.928) 10.872 2.369 ( -0.000 -5.127 -7.129) 8.781 2.650 ( -0.000 2.918 -1.967) 3.519 2.665 ( 0.000 -1.081 0.923) 1.421 2.797 ( 0.000 1.715 0.728) 1.863 2.870 ( -0.000 -3.269 0.419) 3.296 3.949 ( 0.000 -3.407 3.837) 5.131 4.068 ( -0.000 -1.266 -9.617) 9.700 4.491 ( 0.000 6.679 7.080) 9.733 4.628 ( 0.000 0.067 2.770) 2.771 4.821 ( -0.000 -5.740 -3.611) 6.781 4.829 ( -0.000 -1.439 -6.489) 6.647 5.262 ( 0.000 2.598 1.321) 2.914 5.285 ( 0.000 -0.591 3.223) 3.276 5.714 ( 0.000 5.820 0.087) 5.821 5.815 ( 0.000 -10.433 5.251) 11.680 6.552 ( -0.000 7.782 -3.272) 8.442 6.566 ( 0.000 -4.770 5.656) 7.399 6.915 ( 0.000 9.271 0.498) 9.284 7.166 ( 0.000 5.806 2.137) 6.187 7.169 ( -0.000 -10.161 -3.459) 10.734 7.325 ( -0.000 -4.461 -2.911) 5.327 7.593 ( 0.000 2.574 1.302) 2.884 7.638 ( 0.000 -1.213 0.975) 1.556 8.102 ( 0.000 2.310 1.539) 2.776 8.222 ( -0.000 -3.445 -5.366) 6.377 14.138 ( -0.000 0.897 -1.380) 1.647 14.171 ( -0.000 -3.512 0.419) 3.537 15.356 ( -0.000 2.640 -1.235) 2.914 15.394 ( 0.000 -3.613 1.408) 3.878 17.211 ( -0.000 3.942 -3.542) 5.299 17.212 ( 0.000 -1.762 2.217) 2.832 17.687 ( 0.000 7.069 4.457) 8.356 17.866 ( -0.000 -5.676 -0.855) 5.740 ======================= Grid point 19 (12/90) ======================= q-point: (-0.58 -0.02 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.308 -1.406 -2.005) 2.468 1.848 ( 3.764 3.225 -4.126) 6.449 2.065 ( -4.450 -15.167 -6.515) 17.097 2.248 ( 0.265 11.953 4.122) 12.647 2.606 ( -2.249 -7.130 2.696) 7.948 2.656 ( -0.471 -2.568 1.969) 3.271 2.817 ( 1.794 -0.653 -0.399) 1.951 2.871 ( 1.166 3.869 0.165) 4.044 3.887 ( -1.519 -4.245 6.215) 7.678 4.044 ( 0.813 -0.662 -3.700) 3.845 4.412 ( -8.889 -0.303 7.082) 11.369 4.565 ( -2.354 -0.164 -6.136) 6.574 4.872 ( 5.290 -5.249 -1.365) 7.576 4.954 ( 10.285 6.415 1.199) 12.181 5.268 ( -1.862 0.119 -0.551) 1.946 5.426 ( 4.886 8.297 -6.533) 11.635 5.659 ( 0.444 -5.345 5.259) 7.511 5.888 ( 0.079 9.681 -2.044) 9.895 6.517 ( 3.529 -4.101 3.768) 6.593 6.726 ( 3.155 6.409 -5.847) 9.231 6.946 ( -0.550 -10.750 -3.038) 11.185 7.088 ( -1.740 8.970 2.765) 9.547 7.212 ( 0.118 -6.100 -2.094) 6.450 7.274 ( 0.458 4.061 2.228) 4.655 7.591 ( -1.639 -2.044 -0.404) 2.651 7.632 ( -1.543 2.762 0.333) 3.182 8.101 ( -2.452 -1.253 2.507) 3.724 8.116 ( -1.961 -2.778 -0.540) 3.443 14.085 ( -1.280 -2.288 4.650) 5.338 14.177 ( 1.394 0.319 -1.315) 1.942 15.324 ( 0.297 -3.393 2.154) 4.030 15.411 ( 0.244 2.403 -0.317) 2.436 17.176 ( -0.084 -1.195 1.423) 1.860 17.306 ( 1.283 3.568 -6.317) 7.368 17.731 ( -2.257 -4.811 -2.623) 5.926 17.804 ( -2.980 7.052 2.154) 7.953 ======================= Grid point 20 (13/90) ======================= q-point: (-0.58 -0.02 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 3.612 -12.284 -7.655) 14.918 1.744 ( 1.398 -5.896 -8.125) 10.135 1.997 ( 2.526 2.303 -3.727) 5.058 2.340 ( -1.145 -5.990 8.765) 10.678 2.505 ( 2.672 3.200 1.834) 4.555 2.682 ( -0.740 5.162 1.788) 5.513 2.837 ( 3.818 -2.720 -1.069) 4.808 2.899 ( -2.160 -1.084 -0.102) 2.419 3.713 ( -5.350 -1.768 -0.739) 5.683 4.099 ( 1.675 2.895 2.587) 4.228 4.227 ( -3.988 -3.987 5.631) 7.970 4.577 ( 2.760 -1.866 0.351) 3.350 4.863 ( 4.284 -4.715 -0.541) 6.394 5.241 ( 4.995 2.481 1.423) 5.756 5.262 ( -1.808 5.482 -2.442) 6.268 5.562 ( 1.717 -5.633 -1.492) 6.075 5.738 ( 4.119 9.937 -6.140) 12.386 5.979 ( -7.499 4.550 -5.775) 10.502 6.555 ( 6.132 -1.752 3.996) 7.526 6.737 ( 1.425 -9.549 -2.698) 10.024 6.919 ( 2.766 4.376 -4.547) 6.890 7.119 ( 2.710 -4.979 -0.847) 5.732 7.183 ( -5.208 7.042 4.085) 9.664 7.354 ( 1.334 2.613 -0.243) 2.944 7.476 ( -3.779 -2.992 -1.209) 4.969 7.653 ( -2.636 3.265 1.005) 4.315 8.004 ( -1.027 -2.010 1.611) 2.773 8.052 ( -1.646 -0.798 3.396) 3.858 14.036 ( -0.163 -1.072 7.910) 7.984 14.201 ( 1.061 -0.503 -1.879) 2.216 15.277 ( 1.013 -2.360 2.360) 3.488 15.453 ( -0.388 1.591 0.308) 1.667 17.163 ( 0.416 -0.575 1.978) 2.102 17.402 ( 1.327 3.196 -6.172) 7.076 17.585 ( -2.104 -4.252 -7.279) 8.688 17.864 ( -5.883 7.547 1.580) 9.698 ======================= Grid point 24 (14/90) ======================= q-point: ( 0.42 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -12.592 3.839 10.372) 16.759 1.559 ( -16.887 -1.090 8.738) 19.046 1.929 ( 0.106 -0.141 1.735) 1.744 2.342 ( -12.072 9.588 4.386) 16.028 2.550 ( -5.568 -3.529 -6.742) 9.429 2.759 ( 0.424 3.265 -3.879) 5.088 2.761 ( 6.022 -1.697 -2.285) 6.661 2.942 ( 4.626 -2.228 1.157) 5.263 3.884 ( -3.890 -8.631 -2.898) 9.901 4.100 ( 3.205 2.631 -6.523) 7.729 4.487 ( -0.952 6.872 0.726) 6.975 4.525 ( -1.827 -7.781 -4.958) 9.405 4.782 ( 0.886 -0.589 0.081) 1.067 5.086 ( 4.205 7.741 0.076) 8.810 5.226 ( 0.910 -1.954 5.774) 6.164 5.409 ( 2.461 5.850 7.177) 9.581 5.646 ( 1.390 -1.659 2.900) 3.618 6.006 ( 9.464 -4.364 4.452) 11.332 6.430 ( -7.400 4.674 2.717) 9.165 6.720 ( 0.758 3.159 3.326) 4.650 6.741 ( -3.371 1.943 -0.041) 3.891 7.065 ( -5.524 1.893 -0.038) 5.839 7.337 ( 8.220 -2.120 -3.558) 9.205 7.363 ( 0.049 -1.464 -0.898) 1.718 7.520 ( -0.878 -2.811 1.277) 3.210 7.669 ( 0.992 0.833 1.244) 1.796 8.040 ( -2.463 -0.376 -0.723) 2.594 8.227 ( 0.640 -3.345 -8.616) 9.264 14.138 ( 0.653 0.730 -2.848) 3.012 14.219 ( 1.727 -1.308 -2.626) 3.404 15.309 ( -2.171 0.369 -2.136) 3.068 15.465 ( 2.978 0.159 -0.250) 2.993 17.162 ( -2.260 2.276 -0.488) 3.244 17.252 ( 1.433 0.591 3.930) 4.224 17.513 ( -6.523 -3.356 6.868) 10.049 17.962 ( 5.948 -2.230 0.407) 6.365 ======================= Grid point 25 (15/90) ======================= q-point: ( 0.42 -0.02 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -10.223 10.223 9.771) 17.450 1.390 ( -8.363 8.363 12.313) 17.073 1.933 ( -0.914 0.914 4.710) 4.885 2.318 ( -13.654 13.654 7.427) 20.689 2.437 ( -2.168 2.168 -9.149) 9.649 2.756 ( -2.994 2.994 -0.836) 4.316 2.907 ( 2.830 -2.830 -1.109) 4.153 2.929 ( 7.398 -7.398 -4.247) 11.291 3.717 ( 3.106 -3.106 -0.247) 4.400 4.201 ( -2.633 2.633 -10.935) 11.551 4.374 ( 3.525 -3.525 -5.536) 7.450 4.558 ( -3.947 3.947 -3.329) 6.499 4.793 ( 1.594 -1.594 2.336) 3.246 5.215 ( 0.943 -0.943 7.289) 7.409 5.279 ( -1.497 1.497 3.526) 4.113 5.404 ( -2.508 2.508 2.880) 4.568 5.738 ( 4.632 -4.632 11.212) 12.985 5.993 ( 6.343 -6.343 1.672) 9.125 6.439 ( -6.011 6.011 6.923) 10.963 6.630 ( -3.687 3.687 -4.339) 6.784 6.890 ( -0.060 0.060 4.060) 4.061 7.029 ( -4.116 4.116 -1.610) 6.039 7.302 ( 0.195 -0.195 3.176) 3.188 7.405 ( 5.064 -5.064 -3.197) 7.844 7.483 ( 1.748 -1.748 -1.389) 2.836 7.692 ( 0.281 -0.281 1.007) 1.082 8.015 ( -1.054 1.054 -2.203) 2.660 8.175 ( 1.454 -1.454 -9.477) 9.697 14.187 ( 1.959 -1.959 1.234) 3.033 14.188 ( -0.678 0.678 -8.870) 8.922 15.290 ( -1.168 1.168 -2.493) 2.990 15.501 ( 1.287 -1.287 -1.533) 2.379 17.185 ( -2.871 2.871 -3.427) 5.313 17.320 ( 0.838 -0.838 7.862) 7.950 17.335 ( -1.004 1.004 9.771) 9.874 18.003 ( 4.844 -4.844 0.727) 6.890 ======================= Grid point 27 (16/90) ======================= q-point: (-0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -0.000 -12.587 -11.012) 16.724 1.581 ( -0.000 -17.454 -8.934) 19.607 1.939 ( -0.000 -0.205 -1.017) 1.038 2.224 ( -0.000 -14.911 -6.372) 16.216 2.617 ( 0.000 -5.248 4.619) 6.991 2.691 ( 0.000 -4.363 6.057) 7.465 2.781 ( 0.000 7.626 4.212) 8.712 2.965 ( 0.000 5.970 -1.243) 6.098 3.986 ( 0.000 -0.801 3.216) 3.314 4.080 ( 0.000 0.115 11.988) 11.989 4.398 ( -0.000 -3.236 -4.629) 5.649 4.602 ( -0.000 -2.002 -0.493) 2.062 4.832 ( 0.000 0.758 4.159) 4.228 4.975 ( 0.000 8.670 0.978) 8.725 5.275 ( -0.000 2.711 -5.756) 6.362 5.312 ( -0.000 1.869 -9.026) 9.217 5.669 ( -0.000 1.946 -2.825) 3.430 6.047 ( -0.000 11.963 -4.086) 12.641 6.384 ( -0.000 -8.642 -2.800) 9.084 6.668 ( -0.000 5.193 -5.914) 7.871 6.734 ( -0.000 -8.621 1.990) 8.847 7.046 ( -0.000 -5.851 -0.532) 5.875 7.355 ( 0.000 7.462 2.904) 8.007 7.382 ( 0.000 1.669 2.326) 2.863 7.554 ( -0.000 -0.952 -1.105) 1.459 7.654 ( -0.000 0.335 -2.369) 2.392 8.044 ( -0.000 -3.299 0.467) 3.332 8.263 ( 0.000 0.324 9.624) 9.629 14.128 ( 0.000 -0.030 3.924) 3.924 14.235 ( 0.000 2.492 1.968) 3.176 15.306 ( 0.000 -2.200 2.122) 3.057 15.462 ( 0.000 3.092 -0.209) 3.099 17.139 ( -0.000 -3.062 0.799) 3.164 17.246 ( -0.000 1.525 -4.385) 4.643 17.549 ( -0.000 -6.608 -5.991) 8.919 17.985 ( 0.000 6.260 -1.319) 6.398 ======================= Grid point 28 (17/90) ======================= q-point: (-0.37 -0.03 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.875 -14.343 -12.126) 19.001 1.257 ( 4.401 -12.881 -13.707) 19.317 1.910 ( 1.160 -2.886 -7.429) 8.053 2.052 ( 11.380 -14.030 -11.192) 21.251 2.432 ( -1.856 -5.244 8.932) 10.522 2.652 ( 6.543 -7.084 4.561) 10.668 2.949 ( -1.965 7.903 4.339) 9.227 3.054 ( -3.846 6.431 2.144) 7.794 3.815 ( -6.192 -2.987 2.240) 7.231 4.144 ( 3.401 1.300 12.213) 12.744 4.345 ( 3.760 -8.910 8.589) 12.934 4.546 ( -1.017 -0.074 0.881) 1.347 4.875 ( -5.254 8.448 -3.243) 10.464 5.187 ( 3.874 5.459 -3.417) 7.516 5.261 ( -2.089 2.078 -10.011) 10.435 5.390 ( 0.810 -3.157 -4.366) 5.449 5.794 ( -0.724 11.382 -7.751) 13.790 6.127 ( -6.524 -0.643 -4.489) 7.945 6.328 ( 4.381 -0.141 -5.475) 7.013 6.589 ( 0.663 -5.299 1.876) 5.661 6.834 ( 4.538 4.551 -4.981) 8.132 6.965 ( 2.210 -4.097 1.317) 4.838 7.329 ( -2.038 -2.597 -2.239) 3.989 7.481 ( -2.372 5.891 2.971) 7.011 7.524 ( -2.263 0.880 1.280) 2.745 7.677 ( 1.714 -0.348 -2.275) 2.869 7.990 ( 1.203 -2.379 2.211) 3.463 8.203 ( -1.220 -3.268 12.437) 12.917 14.155 ( 1.654 0.984 6.484) 6.763 14.235 ( -1.974 -0.284 3.900) 4.380 15.275 ( 0.345 -1.128 2.400) 2.674 15.514 ( -0.196 1.881 1.395) 2.350 17.123 ( 2.783 -1.650 -0.113) 3.237 17.282 ( 1.248 1.402 -7.104) 7.347 17.393 ( -2.759 -5.191 -8.076) 9.989 18.087 ( -3.275 6.447 -2.772) 7.744 ======================= Grid point 31 (18/90) ======================= q-point: (-0.37 -0.03 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 9.765 2.931 -7.268) 12.521 1.848 ( 4.507 1.523 -0.273) 4.765 1.963 ( 10.095 -2.689 -2.659) 10.780 2.363 ( -11.099 -1.088 6.929) 13.129 2.643 ( 4.024 -0.464 1.081) 4.193 2.685 ( 0.807 0.792 1.554) 1.922 2.786 ( 0.724 -0.497 -2.754) 2.891 2.865 ( -2.711 0.008 -0.664) 2.792 3.954 ( 0.755 -2.372 -1.047) 2.700 4.029 ( -1.637 -3.329 3.175) 4.883 4.447 ( -2.275 0.735 -4.520) 5.113 4.564 ( -0.003 -6.537 7.459) 9.918 4.825 ( 4.981 6.423 -2.476) 8.497 4.995 ( -5.575 7.267 1.812) 9.336 5.267 ( 4.909 0.995 0.349) 5.021 5.327 ( -3.591 3.951 -3.227) 6.238 5.716 ( 6.574 0.097 0.068) 6.575 5.811 ( -8.973 -0.632 -5.040) 10.311 6.584 ( 7.366 3.289 2.326) 8.395 6.615 ( -5.144 4.370 -5.208) 8.525 6.907 ( 8.810 -0.840 -0.471) 8.862 7.155 ( -9.516 -1.393 3.593) 10.266 7.177 ( 5.116 1.125 -1.323) 5.403 7.318 ( -4.106 -0.623 2.441) 4.817 7.563 ( 2.960 -2.611 -2.227) 4.532 7.640 ( -1.818 -0.250 0.224) 1.849 8.084 ( 1.794 -1.684 -1.271) 2.769 8.187 ( -3.072 -3.233 4.765) 6.526 14.124 ( -1.165 -1.191 -2.369) 2.896 14.183 ( -1.253 0.958 3.413) 3.760 15.357 ( 2.338 0.148 0.895) 2.508 15.399 ( -3.332 0.441 -0.683) 3.430 17.196 ( -0.075 -0.199 -3.019) 3.027 17.244 ( 1.800 1.931 3.804) 4.631 17.651 ( 7.055 -3.433 -5.248) 9.439 17.847 ( -5.559 -1.919 1.849) 6.165 ======================= Grid point 32 (19/90) ======================= q-point: ( 0.63 -0.03 -0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.388 1.941 -2.139) 3.205 1.932 ( 3.306 4.168 5.544) 7.683 2.004 ( -15.796 -0.889 5.427) 16.726 2.245 ( 14.843 -0.272 -3.116) 15.169 2.519 ( -7.404 -4.760 -4.705) 9.980 2.653 ( 1.170 -1.316 -0.403) 1.806 2.867 ( -0.650 2.996 0.548) 3.115 2.899 ( 1.374 1.859 0.585) 2.384 3.793 ( -6.236 -7.377 0.536) 9.675 3.941 ( 9.270 -11.156 -1.148) 14.550 4.403 ( -10.068 7.885 -2.820) 13.095 4.577 ( 2.274 2.938 1.583) 4.038 4.976 ( -5.415 5.323 -0.505) 7.610 5.118 ( 7.553 4.924 0.845) 9.055 5.259 ( -4.135 2.174 -4.179) 6.268 5.533 ( 9.657 5.325 7.322) 13.237 5.675 ( -5.266 0.958 -2.535) 5.923 5.865 ( 6.748 -2.559 3.705) 8.113 6.619 ( -4.536 6.200 -4.356) 8.832 6.802 ( 6.109 3.937 2.599) 7.718 6.931 ( -8.637 -0.799 3.607) 9.394 7.035 ( 7.061 -3.326 -2.555) 8.212 7.222 ( -4.842 1.035 1.080) 5.068 7.294 ( 3.399 1.586 -0.282) 3.761 7.540 ( -2.676 -3.358 0.853) 4.378 7.581 ( 3.228 -3.567 -0.894) 4.893 8.043 ( -1.151 -3.065 -1.778) 3.726 8.064 ( -1.126 -2.926 0.257) 3.145 14.063 ( -1.570 -0.852 -7.157) 7.377 14.205 ( 0.013 1.234 4.910) 5.063 15.333 ( -3.001 0.513 -2.040) 3.665 15.415 ( 1.998 0.109 0.909) 2.198 17.178 ( -0.998 0.402 -4.263) 4.397 17.339 ( 2.961 1.907 6.253) 7.177 17.670 ( -2.023 -3.703 1.627) 4.522 17.722 ( 4.414 -4.791 -0.061) 6.515 ======================= Grid point 33 (20/90) ======================= q-point: ( 0.63 -0.03 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -2.947 2.947 1.307) 4.368 1.807 ( -8.869 8.869 5.596) 13.734 2.033 ( -0.592 0.592 6.135) 6.192 2.353 ( -2.390 2.390 -8.568) 9.211 2.453 ( 7.596 -7.596 -1.846) 10.900 2.657 ( 1.899 -1.899 -0.619) 2.756 2.879 ( -1.555 1.555 0.152) 2.205 2.919 ( -2.919 2.919 0.784) 4.202 3.627 ( 2.582 -2.582 4.104) 5.493 3.916 ( 12.203 -12.203 -3.028) 17.521 4.387 ( -11.858 11.858 -2.177) 16.910 4.627 ( -1.836 1.836 -2.441) 3.563 4.980 ( -6.940 6.940 -0.834) 9.850 5.186 ( 2.708 -2.708 0.620) 3.880 5.345 ( -1.993 1.993 -6.297) 6.899 5.605 ( -3.119 3.119 4.696) 6.442 5.795 ( 1.903 -1.903 3.889) 4.729 5.813 ( 5.678 -5.678 9.480) 12.424 6.665 ( -4.374 4.374 -6.242) 8.788 6.799 ( -4.983 4.983 4.331) 8.271 6.941 ( 0.867 -0.867 2.461) 2.750 7.065 ( 5.986 -5.986 -4.707) 9.686 7.185 ( -3.391 3.391 0.222) 4.800 7.381 ( 0.505 -0.505 3.956) 4.020 7.415 ( 0.171 -0.171 0.114) 0.268 7.582 ( 4.287 -4.287 -2.107) 6.418 7.988 ( 0.432 -0.432 -1.596) 1.709 8.024 ( 1.093 -1.093 -1.414) 2.095 14.038 ( -0.429 0.429 -8.730) 8.751 14.218 ( -0.598 0.598 5.239) 5.307 15.305 ( -1.743 1.743 -2.157) 3.275 15.439 ( 1.012 -1.012 0.505) 1.518 17.174 ( -0.713 0.713 -4.732) 4.838 17.411 ( 0.845 -0.845 3.921) 4.099 17.568 ( -0.999 0.999 9.641) 9.744 17.734 ( 6.872 -6.872 -2.952) 10.156 ======================= Grid point 36 (21/90) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( -0.000 -14.730 -13.872) 20.234 0.621 ( -0.000 -18.938 -12.044) 22.443 1.041 ( -0.000 -23.538 -26.521) 35.460 1.814 ( -0.000 -1.363 -4.147) 4.366 2.519 ( 0.000 -3.641 5.157) 6.312 2.528 ( 0.000 -4.502 4.808) 6.587 3.220 ( 0.000 4.818 1.164) 4.957 3.256 ( 0.000 4.737 7.090) 8.527 3.807 ( -0.000 -7.978 2.375) 8.324 4.330 ( 0.000 1.007 12.595) 12.635 4.466 ( 0.000 -6.298 18.906) 19.928 4.548 ( 0.000 -2.877 3.101) 4.230 4.974 ( -0.000 8.652 -12.795) 15.445 5.072 ( -0.000 1.275 -16.795) 16.843 5.262 ( -0.000 2.219 -1.635) 2.757 5.268 ( 0.000 3.331 0.300) 3.345 5.817 ( -0.000 -0.033 -5.096) 5.096 5.964 ( -0.000 14.580 -21.802) 26.228 6.391 ( 0.000 6.073 -1.747) 6.319 6.490 ( -0.000 -0.373 -4.242) 4.258 6.788 ( -0.000 3.930 -2.451) 4.632 6.926 ( 0.000 -1.588 2.130) 2.657 7.260 ( -0.000 -3.426 -1.699) 3.824 7.560 ( -0.000 -3.698 0.050) 3.698 7.579 ( 0.000 0.920 0.653) 1.128 7.647 ( 0.000 2.801 1.367) 3.117 7.968 ( 0.000 -1.471 1.798) 2.323 8.358 ( 0.000 -16.781 23.790) 29.113 14.279 ( 0.000 1.629 5.192) 5.442 14.329 ( 0.000 -0.758 3.331) 3.416 15.299 ( 0.000 -0.145 1.416) 1.424 15.579 ( 0.000 1.828 1.212) 2.193 17.033 ( -0.000 -1.672 -1.092) 1.997 17.176 ( -0.000 -4.132 -6.568) 7.760 17.176 ( -0.000 -2.519 -1.234) 2.805 18.174 ( -0.000 9.074 -8.126) 12.180 ======================= Grid point 38 (22/90) ======================= q-point: (-0.16 -0.04 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 16.920 4.708 -7.176) 18.972 1.030 ( 17.553 2.976 -9.888) 20.365 1.746 ( 19.496 12.212 -7.619) 24.234 1.892 ( 6.586 5.647 -5.804) 10.437 2.570 ( 4.588 -1.220 5.245) 7.074 2.720 ( 4.771 4.142 2.548) 6.812 3.008 ( -5.748 -4.716 1.369) 7.560 3.120 ( -10.711 -1.908 4.620) 11.820 3.858 ( 3.964 -8.387 2.037) 9.498 4.366 ( -6.591 1.928 9.080) 11.385 4.473 ( 2.079 4.035 3.302) 5.613 4.591 ( -0.907 -0.953 4.748) 4.927 4.860 ( -0.788 -4.659 2.537) 5.363 5.060 ( 3.314 1.317 -7.622) 8.415 5.105 ( -3.867 1.195 -6.080) 7.304 5.321 ( -0.605 3.472 -2.741) 4.464 5.552 ( -6.048 -3.431 -16.336) 17.755 6.088 ( 3.224 -1.709 0.440) 3.676 6.226 ( -2.188 1.714 -4.957) 5.684 6.619 ( 6.991 2.051 0.957) 7.348 6.759 ( -5.037 5.104 -2.759) 7.684 7.005 ( 3.522 2.540 2.339) 4.932 7.290 ( 4.219 -3.610 -1.606) 5.780 7.521 ( -4.604 -1.413 1.197) 4.962 7.549 ( -2.740 -2.399 1.316) 3.872 7.638 ( 0.672 2.488 -1.608) 3.038 8.024 ( 1.458 1.425 1.280) 2.407 8.455 ( -1.459 -3.814 12.608) 13.253 14.212 ( -3.979 -2.851 -0.777) 4.957 14.312 ( -0.608 1.036 4.142) 4.313 15.315 ( 0.957 0.403 1.522) 1.843 15.541 ( -2.940 0.939 1.410) 3.393 17.110 ( 1.313 2.000 -1.551) 2.851 17.227 ( 2.631 1.966 1.889) 3.789 17.240 ( 5.111 -3.590 -7.566) 9.811 18.025 ( -3.991 -1.479 -3.413) 5.455 ======================= Grid point 39 (23/90) ======================= q-point: (-0.16 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 11.799 7.456 -6.191) 15.269 1.443 ( 17.317 4.217 -5.921) 18.781 1.924 ( 2.501 1.935 0.202) 3.169 2.500 ( 13.244 12.974 -2.902) 18.766 2.637 ( 2.373 -0.461 6.017) 6.484 2.728 ( -5.250 -4.090 0.751) 6.698 2.799 ( -9.595 -5.168 1.014) 10.946 2.859 ( -2.286 -2.017 -2.080) 3.691 3.689 ( 0.805 -11.656 -0.269) 11.687 4.193 ( -12.489 -0.080 1.472) 12.576 4.490 ( 4.666 -4.437 5.743) 8.628 4.730 ( 4.435 9.012 -0.532) 10.058 4.790 ( -1.909 1.709 4.193) 4.914 5.154 ( -0.838 3.162 -0.295) 3.285 5.204 ( 2.943 4.473 -3.935) 6.644 5.392 ( 2.168 4.440 -4.842) 6.918 5.515 ( 4.992 -0.508 -7.288) 8.848 5.876 ( -6.625 -3.878 2.269) 8.005 6.446 ( 7.872 4.123 -5.253) 10.323 6.774 ( -2.610 5.629 -1.049) 6.293 6.795 ( 3.615 2.383 0.528) 4.362 7.160 ( 4.199 4.703 2.196) 6.676 7.293 ( 3.587 -4.260 -1.110) 5.678 7.337 ( -6.770 -3.549 2.078) 7.921 7.454 ( -2.698 -2.477 0.015) 3.663 7.668 ( -0.892 0.087 -0.206) 0.920 8.050 ( -0.509 -0.170 0.752) 0.924 8.260 ( -4.985 -7.131 5.359) 10.219 14.059 ( -3.542 -3.636 -3.953) 6.434 14.340 ( -0.472 2.357 5.600) 6.094 15.345 ( 0.902 0.443 0.550) 1.145 15.491 ( -3.247 0.459 1.792) 3.737 17.126 ( -0.930 0.117 -4.142) 4.247 17.243 ( 3.752 -3.518 -6.926) 8.626 17.376 ( 5.478 2.272 4.390) 7.378 17.921 ( -3.414 -1.935 0.524) 3.959 ======================= Grid point 40 (24/90) ======================= q-point: (-0.16 -0.04 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 4.831 2.670 -7.502) 9.314 1.896 ( 15.122 5.849 -2.444) 16.397 2.036 ( 3.358 3.558 2.087) 5.319 2.361 ( -11.348 -3.845 3.857) 12.587 2.504 ( -8.386 -5.858 -3.046) 10.674 2.652 ( 0.246 -1.163 5.444) 5.572 2.866 ( 2.213 1.303 -3.612) 4.432 2.928 ( 3.096 7.368 -1.027) 8.057 3.466 ( 3.489 -13.439 -2.545) 14.116 3.879 ( -8.607 -6.165 5.168) 11.781 4.594 ( 3.042 1.844 0.560) 3.602 4.828 ( -4.069 7.121 5.976) 10.148 4.963 ( 2.343 6.386 -6.164) 9.180 5.214 ( 0.511 4.635 1.142) 4.801 5.234 ( -4.169 0.008 -7.156) 8.282 5.542 ( 7.509 -1.811 -1.301) 7.833 5.662 ( 4.468 4.526 -2.189) 6.726 5.841 ( 3.091 2.679 8.425) 9.366 6.632 ( 5.522 0.547 -6.856) 8.820 6.819 ( -5.346 7.311 -1.154) 9.130 6.895 ( 2.964 -0.039 1.225) 3.207 7.136 ( -5.357 -2.384 3.058) 6.613 7.271 ( 2.116 -3.717 -0.047) 4.277 7.340 ( 3.259 4.197 2.411) 5.836 7.359 ( -0.620 -2.642 -2.066) 3.411 7.587 ( -3.365 -3.524 1.536) 5.109 8.002 ( -2.343 -1.474 0.141) 2.772 8.047 ( -2.168 -4.899 1.175) 5.485 13.947 ( -1.891 -1.870 -5.029) 5.689 14.376 ( -0.658 2.110 6.045) 6.437 15.350 ( -0.906 -0.145 -0.626) 1.111 15.453 ( -1.154 0.667 2.162) 2.540 17.105 ( -0.762 -0.164 -4.610) 4.675 17.248 ( 3.742 -3.582 -7.565) 9.169 17.509 ( 4.100 1.033 5.276) 6.761 17.813 ( -2.948 -2.005 3.640) 5.095 ======================= Grid point 41 (25/90) ======================= q-point: (-0.16 -0.04 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.902 -0.902 -7.195) 7.307 2.151 ( 4.257 -4.257 -0.839) 6.079 2.164 ( -4.081 4.081 2.869) 6.445 2.173 ( -0.149 0.149 3.502) 3.508 2.316 ( -2.042 2.042 -4.900) 5.688 2.642 ( 0.508 -0.508 4.997) 5.049 2.915 ( 0.197 -0.197 -4.676) 4.685 2.999 ( -4.850 4.850 -0.618) 6.886 3.360 ( 10.916 -10.916 -2.590) 15.653 3.712 ( 0.103 -0.103 7.557) 7.559 4.635 ( -0.178 0.178 -1.146) 1.173 4.867 ( -6.462 6.462 6.831) 11.410 5.065 ( -1.346 1.346 -9.941) 10.122 5.143 ( -4.274 4.274 -5.433) 8.127 5.312 ( -1.773 1.773 -0.876) 2.656 5.602 ( 7.455 -7.455 -2.553) 10.848 5.772 ( -1.130 1.130 2.903) 3.314 5.924 ( 0.533 -0.533 12.043) 12.067 6.691 ( 2.854 -2.854 -8.495) 9.405 6.842 ( -7.072 7.072 -0.830) 10.035 6.920 ( 0.955 -0.955 0.441) 1.421 7.057 ( -1.428 1.428 3.328) 3.893 7.248 ( 2.152 -2.152 0.356) 3.063 7.329 ( 3.184 -3.184 -3.315) 5.591 7.425 ( 0.457 -0.457 2.869) 2.941 7.487 ( -1.331 1.331 2.313) 2.982 7.943 ( 0.445 -0.445 -0.610) 0.876 7.988 ( 0.486 -0.486 0.427) 0.809 13.909 ( -0.093 0.093 -5.419) 5.421 14.392 ( -1.344 1.344 6.198) 6.483 15.332 ( -0.734 0.734 -0.785) 1.301 15.454 ( -0.394 0.394 1.994) 2.070 17.096 ( -0.189 0.189 -4.721) 4.729 17.249 ( 3.568 -3.568 -7.811) 9.299 17.568 ( 1.667 -1.667 4.411) 5.002 17.753 ( -0.451 0.451 5.920) 5.955 ======================= Grid point 46 (26/90) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 20.309 -0.000) 20.309 0.492 ( 0.000 24.244 -0.000) 24.244 0.735 ( 0.000 35.848 -0.000) 35.848 1.772 ( 0.000 1.543 -0.000) 1.543 2.569 ( 0.000 3.545 -0.000) 3.545 2.574 ( 0.000 4.058 -0.000) 4.058 3.231 ( -0.000 -5.348 0.000) 5.348 3.372 ( -0.000 -8.725 0.000) 8.725 3.850 ( 0.000 8.366 -0.000) 8.366 4.457 ( -0.000 -2.431 0.000) 2.431 4.666 ( 0.000 7.069 -0.000) 7.069 4.733 ( -0.000 -11.310 0.000) 11.310 4.818 ( -0.000 -3.499 0.000) 3.499 4.956 ( 0.000 2.086 -0.000) 2.086 5.242 ( -0.000 -4.733 0.000) 4.733 5.271 ( -0.000 -3.444 0.000) 3.444 5.294 ( 0.000 1.319 -0.000) 1.319 5.837 ( 0.000 10.164 -0.000) 10.164 6.374 ( -0.000 -6.198 0.000) 6.198 6.461 ( 0.000 5.302 -0.000) 5.302 6.765 ( -0.000 -4.146 0.000) 4.146 6.953 ( 0.000 1.924 -0.000) 1.924 7.243 ( 0.000 3.835 -0.000) 3.835 7.566 ( 0.000 0.497 -0.000) 0.497 7.585 ( -0.000 -1.063 0.000) 1.063 7.660 ( -0.000 -2.643 0.000) 2.643 7.986 ( 0.000 1.231 -0.000) 1.231 8.753 ( -0.000 -3.068 0.000) 3.068 14.331 ( -0.000 -2.012 0.000) 2.012 14.335 ( -0.000 -1.691 0.000) 1.691 15.316 ( 0.000 0.353 -0.000) 0.353 15.590 ( -0.000 -2.320 0.000) 2.320 17.032 ( 0.000 3.798 -0.000) 3.798 17.100 ( 0.000 2.911 -0.000) 2.911 17.227 ( -0.000 -0.175 0.000) 0.175 18.014 ( -0.000 -1.070 0.000) 1.070 ======================= Grid point 47 (27/90) ======================= q-point: ( 0.06 -0.06 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 7.541 16.269 -0.000) 17.932 0.910 ( -0.605 22.642 -0.000) 22.650 1.671 ( 19.076 27.012 -0.000) 33.069 1.833 ( 1.598 2.652 -0.000) 3.097 2.622 ( -0.931 4.607 -0.000) 4.700 2.745 ( 3.342 4.075 -0.000) 5.270 3.017 ( -4.926 -6.390 0.000) 8.068 3.177 ( -2.623 -11.928 0.000) 12.213 3.880 ( -9.736 4.387 -0.000) 10.679 4.442 ( 0.396 -14.674 0.000) 14.679 4.489 ( 4.261 3.091 0.000) 5.264 4.685 ( -4.788 -3.443 -0.000) 5.898 4.868 ( 4.614 7.858 -0.000) 9.112 5.015 ( -5.085 -6.711 0.000) 8.420 5.080 ( 3.978 5.730 -0.000) 6.975 5.254 ( 1.362 -3.647 0.000) 3.893 5.339 ( 0.656 2.838 -0.000) 2.913 6.113 ( 4.242 10.779 -0.000) 11.584 6.161 ( -3.731 -9.871 0.000) 10.552 6.627 ( 2.287 7.349 -0.000) 7.696 6.733 ( 5.297 -5.232 0.000) 7.445 7.031 ( 2.608 3.252 -0.000) 4.169 7.274 ( -4.191 4.769 -0.000) 6.349 7.532 ( -1.009 -4.210 0.000) 4.329 7.564 ( -2.532 -3.296 0.000) 4.156 7.621 ( 2.741 0.758 0.000) 2.844 8.037 ( 1.507 1.115 0.000) 1.875 8.596 ( -5.895 -5.776 -0.000) 8.253 14.189 ( -4.763 -4.107 -0.000) 6.289 14.356 ( 2.912 -1.250 0.000) 3.168 15.329 ( 0.295 0.667 -0.000) 0.730 15.558 ( 2.068 -3.792 0.000) 4.319 17.115 ( -1.607 3.046 -0.000) 3.444 17.136 ( -3.067 4.317 -0.000) 5.296 17.264 ( 3.333 2.689 0.000) 4.282 17.984 ( -0.117 -2.009 0.000) 2.013 ======================= Grid point 48 (28/90) ======================= q-point: ( 0.06 -0.06 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 6.217 11.306 -0.000) 12.903 1.384 ( 5.106 19.604 -0.000) 20.258 1.931 ( 2.334 3.069 -0.000) 3.856 2.464 ( 14.936 16.257 -0.000) 22.076 2.710 ( 0.232 4.148 -0.000) 4.155 2.736 ( -4.205 -4.647 0.000) 6.267 2.803 ( -6.048 -12.469 0.000) 13.859 2.834 ( -4.019 -4.784 0.000) 6.248 3.687 ( -12.771 0.554 -0.000) 12.783 4.208 ( 2.014 -13.715 0.000) 13.862 4.551 ( -6.033 4.330 -0.000) 7.426 4.694 ( 5.040 5.720 -0.000) 7.624 4.874 ( 6.560 -7.831 0.000) 10.216 5.120 ( 4.120 5.778 -0.000) 7.097 5.198 ( 0.957 -2.897 0.000) 3.051 5.332 ( 6.449 8.359 -0.000) 10.558 5.428 ( -0.811 5.875 -0.000) 5.931 5.908 ( -1.285 -7.043 0.000) 7.159 6.389 ( 2.751 8.848 -0.000) 9.266 6.758 ( 7.048 -4.806 0.000) 8.531 6.805 ( 1.479 5.864 -0.000) 6.047 7.184 ( 5.085 3.942 0.000) 6.434 7.280 ( -4.754 4.766 -0.000) 6.732 7.358 ( -3.486 -6.885 0.000) 7.717 7.455 ( -2.469 -3.462 0.000) 4.252 7.665 ( 0.576 -0.443 0.000) 0.727 8.057 ( -0.046 -0.876 0.000) 0.877 8.317 ( -8.294 -6.730 -0.000) 10.681 14.016 ( -4.098 -3.581 -0.000) 5.442 14.397 ( 3.065 -0.873 0.000) 3.186 15.349 ( 0.282 0.466 -0.000) 0.545 15.512 ( 1.228 -3.856 0.000) 4.047 17.097 ( -2.602 0.819 -0.000) 2.728 17.156 ( -3.261 3.938 -0.000) 5.113 17.429 ( 3.487 4.845 -0.000) 5.969 17.924 ( -1.108 -2.634 0.000) 2.858 ======================= Grid point 49 (29/90) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 1.891 5.671 -0.000) 5.977 1.871 ( 6.356 15.725 -0.000) 16.961 2.055 ( 3.402 3.616 -0.000) 4.965 2.417 ( -4.278 -11.215 0.000) 12.003 2.457 ( -6.054 -8.945 0.000) 10.801 2.729 ( -0.580 -2.055 0.000) 2.135 2.805 ( 0.601 3.397 -0.000) 3.450 2.918 ( 7.949 3.855 0.000) 8.834 3.441 ( -14.199 3.615 -0.000) 14.652 3.935 ( -4.011 -8.756 0.000) 9.631 4.602 ( 0.060 2.910 -0.000) 2.911 4.875 ( 2.743 4.124 -0.000) 4.953 4.920 ( 13.179 -9.267 0.000) 16.111 5.151 ( -3.333 -2.211 -0.000) 3.999 5.226 ( 4.339 0.529 0.000) 4.371 5.528 ( -4.262 8.568 -0.000) 9.569 5.637 ( 7.454 6.554 0.000) 9.925 5.936 ( 5.729 3.088 0.000) 6.508 6.555 ( -1.211 5.766 -0.000) 5.892 6.808 ( 8.120 -5.852 0.000) 10.009 6.906 ( -0.302 2.931 -0.000) 2.947 7.165 ( -2.213 -5.300 0.000) 5.743 7.273 ( -6.065 5.516 -0.000) 8.198 7.335 ( -1.723 -3.394 0.000) 3.807 7.367 ( 5.278 2.861 0.000) 6.003 7.602 ( -3.222 -3.084 -0.000) 4.460 8.004 ( -1.339 -2.909 0.000) 3.202 8.060 ( -5.594 -2.735 -0.000) 6.227 13.896 ( -2.078 -1.960 -0.000) 2.857 14.437 ( 2.653 -1.053 0.000) 2.854 15.344 ( -0.127 -1.151 0.000) 1.158 15.476 ( 1.112 -1.676 0.000) 2.011 17.066 ( -2.150 1.013 -0.000) 2.376 17.163 ( -3.161 3.306 -0.000) 4.574 17.563 ( 1.110 3.587 -0.000) 3.754 17.848 ( -1.108 -2.232 0.000) 2.492 ======================= Grid point 50 (30/90) ======================= q-point: ( 0.06 -0.06 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -1.876 1.876 -0.000) 2.654 2.142 ( -4.465 4.465 -0.000) 6.315 2.206 ( 0.013 -0.013 0.000) 0.018 2.218 ( 2.087 -2.087 0.000) 2.952 2.242 ( 4.263 -4.263 0.000) 6.029 2.709 ( 0.745 -0.745 0.000) 1.054 2.851 ( -1.025 1.025 -0.000) 1.449 2.991 ( 4.816 -4.816 0.000) 6.811 3.337 ( -11.409 11.409 -0.000) 16.135 3.792 ( 0.845 -0.845 0.000) 1.194 4.626 ( -0.378 0.378 -0.000) 0.535 4.959 ( 0.643 -0.643 0.000) 0.909 4.969 ( 12.913 -12.913 0.000) 18.261 5.057 ( -1.751 1.751 -0.000) 2.476 5.304 ( 2.069 -2.069 0.000) 2.926 5.575 ( -8.231 8.231 -0.000) 11.640 5.800 ( 1.112 -1.112 0.000) 1.573 6.059 ( 0.514 -0.514 0.000) 0.727 6.591 ( -3.678 3.678 -0.000) 5.201 6.833 ( 8.024 -8.024 0.000) 11.347 6.925 ( -1.159 1.159 -0.000) 1.639 7.089 ( 1.346 -1.346 0.000) 1.904 7.269 ( -7.013 7.013 -0.000) 9.918 7.281 ( 0.898 -0.898 0.000) 1.270 7.454 ( -0.381 0.381 -0.000) 0.539 7.510 ( 1.631 -1.631 0.000) 2.307 7.937 ( -0.368 0.368 -0.000) 0.520 7.993 ( -0.396 0.396 -0.000) 0.560 13.856 ( 0.056 -0.056 0.000) 0.079 14.454 ( 1.808 -1.808 0.000) 2.556 15.325 ( 0.827 -0.827 0.000) 1.169 15.475 ( 0.838 -0.838 0.000) 1.186 17.054 ( -1.563 1.563 -0.000) 2.210 17.164 ( -3.076 3.076 -0.000) 4.349 17.611 ( -1.453 1.453 -0.000) 2.055 17.811 ( 0.489 -0.489 0.000) 0.691 ======================= Grid point 56 (31/90) ======================= q-point: ( 0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 15.650 5.444) 16.570 1.458 ( 0.000 20.061 4.017) 20.459 1.904 ( 0.000 2.791 2.102) 3.494 2.092 ( 0.000 23.382 6.234) 24.198 2.706 ( -0.000 2.625 -4.505) 5.214 2.761 ( -0.000 4.405 -1.958) 4.821 2.905 ( -0.000 -10.599 -7.060) 12.735 2.927 ( 0.000 -7.377 2.682) 7.850 4.057 ( -0.000 -4.570 -3.721) 5.893 4.260 ( 0.000 -1.072 7.594) 7.669 4.308 ( -0.000 -1.106 -11.260) 11.314 4.586 ( 0.000 -1.894 1.424) 2.370 4.981 ( -0.000 -3.646 0.284) 3.657 4.991 ( -0.000 1.384 -9.184) 9.288 5.155 ( 0.000 1.110 6.975) 7.063 5.155 ( 0.000 1.485 4.568) 4.803 5.550 ( 0.000 2.118 9.007) 9.253 5.975 ( -0.000 -13.115 2.936) 13.440 6.342 ( 0.000 12.493 1.415) 12.573 6.581 ( 0.000 -5.360 3.117) 6.201 6.772 ( 0.000 8.613 -1.449) 8.734 7.052 ( 0.000 3.853 -0.874) 3.951 7.397 ( -0.000 -4.291 -1.838) 4.668 7.425 ( -0.000 -1.547 -1.652) 2.264 7.530 ( 0.000 -1.314 1.279) 1.834 7.613 ( 0.000 0.514 1.694) 1.771 8.050 ( 0.000 1.964 -0.215) 1.976 8.441 ( -0.000 -4.991 -8.042) 9.465 14.192 ( -0.000 -2.055 -2.522) 3.253 14.235 ( 0.000 -4.120 1.443) 4.365 15.336 ( -0.000 1.459 -0.956) 1.745 15.449 ( -0.000 -4.184 0.893) 4.278 17.188 ( -0.000 5.586 -4.288) 7.042 17.208 ( -0.000 -0.196 -0.070) 0.208 17.425 ( 0.000 7.570 6.898) 10.241 17.953 ( 0.000 -4.054 1.789) 4.431 ======================= Grid point 57 (32/90) ======================= q-point: ( 0.27 -0.07 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 1.999 11.941 4.184) 12.809 1.814 ( -0.722 17.383 2.085) 17.522 1.961 ( -0.091 3.635 -1.034) 3.781 2.479 ( -0.084 -3.831 -4.320) 5.775 2.650 ( 1.290 1.915 -0.131) 2.313 2.725 ( 0.448 -2.054 -2.848) 3.540 2.738 ( -4.438 -6.170 2.120) 7.891 2.840 ( 0.323 0.085 1.817) 1.847 3.908 ( 3.025 -8.146 2.878) 9.154 4.078 ( -14.093 4.718 -1.297) 14.918 4.413 ( 6.737 -7.315 -0.758) 9.974 4.664 ( 1.570 2.363 -2.254) 3.623 4.799 ( -0.919 0.945 0.267) 1.345 5.024 ( 4.496 -3.200 -2.262) 5.964 5.226 ( 0.932 1.653 4.092) 4.511 5.360 ( 4.781 9.461 -5.507) 11.946 5.643 ( -0.498 3.703 6.336) 7.356 5.740 ( 2.311 -5.744 2.662) 6.739 6.536 ( 4.828 -4.809 2.732) 7.342 6.601 ( 0.816 11.420 0.214) 11.451 6.927 ( -0.802 7.097 -1.808) 7.367 7.157 ( 2.675 3.542 0.601) 4.479 7.214 ( -0.998 -9.579 -2.171) 9.872 7.368 ( -1.312 -4.192 -2.748) 5.181 7.515 ( -3.409 3.400 2.536) 5.442 7.638 ( 1.036 -0.575 0.295) 1.221 8.065 ( -1.284 0.210 0.663) 1.460 8.273 ( -4.207 -6.322 -3.721) 8.457 14.066 ( -3.965 -3.243 2.861) 5.867 14.240 ( 4.258 -2.311 -2.178) 5.312 15.353 ( -0.253 -1.254 0.796) 1.506 15.394 ( 1.787 -1.578 0.022) 2.384 17.169 ( -2.485 0.741 -0.429) 2.628 17.327 ( 1.076 4.149 -3.391) 5.465 17.552 ( -2.923 8.638 4.331) 10.096 17.868 ( -0.463 -3.927 -0.484) 3.984 ======================= Grid point 58 (33/90) ======================= q-point: ( 0.27 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.169 5.984 2.799) 6.608 2.031 ( 1.385 1.548 -4.047) 4.549 2.088 ( 0.704 -3.790 -2.041) 4.361 2.235 ( -1.286 5.567 -2.797) 6.361 2.426 ( -5.411 -9.218 4.894) 11.756 2.647 ( 1.155 -2.327 0.134) 2.601 2.869 ( 2.335 0.281 0.643) 2.438 2.888 ( 1.565 2.188 1.052) 2.889 3.796 ( -1.358 -5.870 0.082) 6.026 3.918 ( -14.316 8.981 1.044) 16.932 4.384 ( 11.215 -12.651 -0.360) 16.910 4.626 ( -0.938 0.053 -3.087) 3.227 4.926 ( 3.913 -1.797 4.111) 5.954 5.130 ( 5.795 3.564 -0.595) 6.829 5.212 ( -2.982 0.524 0.981) 3.183 5.606 ( 4.765 1.851 1.325) 5.280 5.682 ( 4.490 5.706 -4.568) 8.579 5.908 ( 0.975 8.458 -0.866) 8.558 6.551 ( 5.732 -4.694 2.294) 7.756 6.798 ( -1.346 7.069 2.256) 7.542 6.989 ( -1.675 -0.906 -2.371) 3.041 7.039 ( -0.940 -1.418 -1.854) 2.516 7.250 ( 0.216 -4.995 -1.548) 5.233 7.291 ( 4.158 2.322 0.163) 4.765 7.514 ( -3.780 3.005 1.947) 5.207 7.598 ( -3.042 -1.214 -1.241) 3.503 8.009 ( -2.290 -1.492 1.296) 3.025 8.079 ( -3.484 -3.734 -0.774) 5.165 13.947 ( -2.165 -2.128 4.572) 5.488 14.279 ( 3.996 -2.373 -2.758) 5.404 15.299 ( 0.752 -3.305 1.293) 3.628 15.427 ( 0.908 0.816 -0.230) 1.242 17.140 ( -2.007 1.014 -0.125) 2.253 17.391 ( -2.126 3.735 1.225) 4.469 17.658 ( -3.250 7.681 -1.023) 8.403 17.781 ( -1.218 -2.732 -2.669) 4.009 ======================= Grid point 59 (34/90) ======================= q-point: (-0.73 -0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -2.940 2.940 0.463) 4.184 1.914 ( 7.063 -7.063 -5.759) 11.529 2.154 ( 0.689 -0.689 -5.692) 5.775 2.189 ( 3.983 -3.983 8.356) 10.077 2.428 ( -7.323 7.323 0.864) 10.392 2.645 ( 0.431 -0.431 0.683) 0.916 2.883 ( 1.337 -1.337 -0.290) 1.913 2.898 ( 1.965 -1.965 2.371) 3.653 3.702 ( -0.536 0.536 -3.512) 3.593 3.865 ( -11.608 11.608 2.364) 16.586 4.373 ( 13.780 -13.780 -0.448) 19.493 4.617 ( 0.886 -0.886 -0.957) 1.577 4.928 ( 4.862 -4.862 3.934) 7.922 5.194 ( -4.409 4.409 -0.115) 6.237 5.246 ( 0.847 -0.847 3.415) 3.619 5.678 ( 3.550 -3.550 -2.760) 5.729 5.837 ( -3.798 3.798 -0.778) 5.427 5.994 ( -3.503 3.503 -8.248) 9.621 6.568 ( 5.084 -5.084 3.448) 7.973 6.809 ( 0.919 -0.919 2.858) 3.139 6.984 ( -1.844 1.844 -1.821) 3.181 7.024 ( -2.984 2.984 -0.479) 4.247 7.201 ( 2.635 -2.635 -1.117) 3.890 7.409 ( 1.650 -1.650 0.674) 2.429 7.445 ( -0.309 0.309 -2.511) 2.549 7.550 ( -4.960 4.960 1.104) 7.101 7.961 ( -0.062 0.062 1.112) 1.115 8.008 ( -0.091 0.091 0.412) 0.431 13.902 ( 0.209 -0.209 5.152) 5.161 14.297 ( 3.178 -3.178 -2.893) 5.345 15.271 ( 1.989 -1.989 1.282) 3.091 15.446 ( -0.110 0.110 -0.172) 0.232 17.130 ( -1.505 1.505 0.004) 2.129 17.406 ( -3.491 3.491 3.475) 6.038 17.718 ( 1.242 -1.242 -5.641) 5.908 17.725 ( -6.135 6.135 -1.354) 8.782 ======================= Grid point 65 (35/90) ======================= q-point: (-0.52 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 -5.587 -9.921) 11.386 1.797 ( 0.000 7.404 2.893) 7.949 2.131 ( -0.000 -15.047 -9.330) 17.705 2.234 ( 0.000 9.499 6.345) 11.423 2.604 ( 0.000 -3.206 2.830) 4.277 2.685 ( -0.000 -4.278 -0.623) 4.323 2.800 ( -0.000 -4.656 1.303) 4.835 2.854 ( 0.000 5.847 1.677) 6.083 3.890 ( 0.000 -2.014 8.893) 9.118 4.023 ( -0.000 -3.115 -4.304) 5.313 4.571 ( -0.000 -6.099 1.910) 6.391 4.632 ( 0.000 4.398 1.466) 4.635 4.781 ( -0.000 1.916 -5.118) 5.465 4.797 ( 0.000 1.472 0.086) 1.475 5.299 ( -0.000 2.065 -1.538) 2.574 5.364 ( -0.000 6.413 -5.733) 8.602 5.656 ( 0.000 -4.655 5.893) 7.510 5.882 ( 0.000 10.315 -1.162) 10.381 6.482 ( 0.000 -3.414 3.411) 4.826 6.692 ( -0.000 6.144 -7.077) 9.372 6.952 ( -0.000 -11.363 -2.802) 11.703 7.105 ( 0.000 9.475 2.830) 9.889 7.212 ( -0.000 -6.563 -2.599) 7.059 7.271 ( 0.000 4.401 2.927) 5.286 7.607 ( -0.000 -1.746 -0.275) 1.767 7.647 ( 0.000 2.600 0.167) 2.606 8.129 ( 0.000 0.189 4.046) 4.051 8.136 ( -0.000 -4.873 -1.910) 5.234 14.103 ( 0.000 -3.091 2.218) 3.805 14.159 ( 0.000 0.940 1.554) 1.816 15.321 ( 0.000 -3.441 2.190) 4.079 15.408 ( 0.000 2.512 -0.094) 2.514 17.178 ( -0.000 -1.537 0.027) 1.537 17.292 ( -0.000 3.993 -5.957) 7.172 17.755 ( -0.000 -5.428 -2.658) 6.044 17.835 ( 0.000 7.650 2.530) 8.057 ======================= Grid point 66 (36/90) ======================= q-point: (-0.52 -0.08 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 1.043 -10.635 -11.969) 16.045 1.752 ( -2.195 -12.479 -11.377) 17.029 1.949 ( 1.862 3.521 -0.420) 4.005 2.369 ( 3.090 -1.878 2.586) 4.446 2.427 ( -1.489 -9.290 4.576) 10.462 2.670 ( 3.173 3.516 3.610) 5.955 2.753 ( 3.221 -3.390 1.132) 4.811 2.953 ( -2.321 3.735 -0.147) 4.400 3.818 ( -4.462 -2.661 4.607) 6.944 3.993 ( 4.148 -3.099 2.817) 5.895 4.374 ( -3.908 -6.065 6.893) 9.978 4.559 ( -2.493 -0.047 -3.104) 3.981 4.820 ( -0.506 1.671 -2.511) 3.058 5.087 ( 8.318 7.018 -0.778) 10.911 5.323 ( -2.263 4.234 -3.725) 6.076 5.523 ( 2.207 -1.098 -3.366) 4.172 5.665 ( 2.253 8.204 -0.950) 8.560 6.088 ( -2.922 9.626 -3.214) 10.561 6.457 ( 2.793 -1.831 -0.296) 3.353 6.722 ( 0.306 -10.703 -1.032) 10.757 6.846 ( 3.758 5.241 -6.981) 9.503 7.081 ( 1.082 -6.574 -1.527) 6.835 7.265 ( -2.660 8.336 3.641) 9.477 7.338 ( 0.244 2.254 1.942) 2.985 7.543 ( -2.586 -2.437 -1.041) 3.703 7.686 ( -0.757 2.324 -0.424) 2.481 8.024 ( -0.850 -4.246 0.948) 4.433 8.085 ( -1.458 -2.500 5.808) 6.489 14.044 ( -0.540 -1.708 5.759) 6.031 14.178 ( 1.115 -0.606 2.251) 2.584 15.264 ( 0.323 -2.434 2.361) 3.406 15.455 ( 0.050 1.911 0.782) 2.066 17.156 ( 0.287 -0.759 -0.704) 1.074 17.376 ( 1.017 3.297 -7.413) 8.177 17.629 ( -1.842 -4.982 -5.051) 7.329 17.961 ( -3.475 8.207 0.539) 8.929 ======================= Grid point 67 (37/90) ======================= q-point: (-0.52 -0.08 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 8.014 -8.014 -10.011) 15.122 1.646 ( 4.728 -4.728 -14.520) 15.986 2.017 ( 0.257 -0.257 -3.436) 3.455 2.242 ( 2.771 -2.771 11.007) 11.684 2.430 ( 7.467 -7.467 -3.972) 11.282 2.733 ( 7.641 -7.641 2.441) 11.078 2.860 ( -7.270 7.270 2.626) 10.611 2.886 ( -1.848 1.848 0.915) 2.769 3.714 ( -1.664 1.664 0.076) 2.354 4.024 ( 4.742 -4.742 6.678) 9.464 4.249 ( 0.345 -0.345 6.646) 6.664 4.540 ( 0.841 -0.841 -0.726) 1.394 4.831 ( -2.137 2.137 -1.284) 3.284 5.304 ( -0.937 0.937 0.357) 1.373 5.342 ( -4.132 4.132 -5.216) 7.832 5.460 ( 3.722 -3.722 -2.803) 5.963 5.895 ( -3.754 3.754 -4.961) 7.265 6.072 ( -6.143 6.143 -6.124) 10.630 6.542 ( 1.143 -1.143 3.899) 4.221 6.555 ( 6.460 -6.460 -4.833) 10.335 6.974 ( -0.744 0.744 -4.094) 4.227 7.025 ( 4.157 -4.157 -1.551) 6.080 7.311 ( -5.209 5.209 3.017) 7.960 7.392 ( -0.488 0.488 -2.699) 2.786 7.445 ( -1.079 1.079 2.766) 3.159 7.704 ( -1.715 1.715 -0.202) 2.434 7.969 ( 1.478 -1.478 2.498) 3.257 8.029 ( 1.358 -1.358 5.540) 5.864 14.021 ( 0.411 -0.411 8.160) 8.181 14.181 ( 1.522 -1.522 1.525) 2.638 15.242 ( 1.095 -1.095 2.315) 2.785 15.477 ( -0.813 0.813 1.108) 1.597 17.154 ( 0.398 -0.398 -0.231) 0.608 17.453 ( -0.951 0.951 -5.533) 5.694 17.520 ( 1.338 -1.338 -8.971) 9.168 18.012 ( -6.854 6.854 -0.287) 9.697 ======================= Grid point 71 (38/90) ======================= q-point: ( 0.48 -0.08 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -13.228 6.623 8.305) 16.965 1.585 ( -11.948 4.132 8.253) 15.098 1.941 ( 0.242 1.088 2.065) 2.347 2.499 ( -2.534 0.197 -7.272) 7.704 2.535 ( -4.697 5.508 -0.993) 7.307 2.712 ( 5.935 -2.344 -1.158) 6.485 2.800 ( 1.274 1.019 1.720) 2.370 2.888 ( 0.738 -2.451 0.972) 2.738 3.698 ( -1.359 -8.942 0.706) 9.072 4.154 ( 8.862 -1.108 -2.610) 9.305 4.356 ( -5.084 -3.705 -7.541) 9.820 4.632 ( -1.158 6.122 -5.405) 8.248 4.826 ( -4.634 4.561 3.083) 7.196 5.192 ( 2.176 -1.062 3.442) 4.208 5.258 ( 0.842 8.611 0.987) 8.709 5.498 ( -3.685 2.018 5.399) 6.841 5.635 ( 3.469 1.445 4.829) 6.119 5.878 ( 5.137 -7.913 3.449) 10.045 6.553 ( -5.498 6.806 4.693) 9.928 6.738 ( -6.630 0.845 -3.064) 7.353 6.838 ( 4.525 4.944 3.708) 7.659 7.122 ( -4.824 3.632 -1.262) 6.169 7.266 ( 6.427 -4.598 -4.033) 8.872 7.332 ( -0.036 -1.635 1.596) 2.285 7.458 ( 0.186 -3.006 0.566) 3.064 7.668 ( 2.038 -1.184 -0.397) 2.390 8.030 ( -0.585 -0.521 -1.242) 1.469 8.144 ( 1.661 -4.447 -5.980) 7.636 14.138 ( 2.235 -1.158 3.208) 4.077 14.204 ( -0.293 0.252 -7.671) 7.681 15.322 ( -1.907 0.847 -1.985) 2.880 15.462 ( 2.486 -0.576 -0.943) 2.720 17.226 ( -0.749 3.901 -0.772) 4.046 17.268 ( 1.451 0.906 3.616) 4.001 17.430 ( -5.967 -4.459 8.511) 11.310 17.899 ( 5.347 -3.921 -1.705) 6.846 ======================= Grid point 74 (39/90) ======================= q-point: (-0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.000 -13.190 -14.523) 19.619 1.218 ( -0.000 -17.933 -11.654) 21.387 1.890 ( -0.000 -16.843 -17.845) 24.538 1.929 ( -0.000 -0.745 -4.073) 4.141 2.491 ( 0.000 -6.527 7.749) 10.132 2.542 ( 0.000 -8.254 7.031) 10.843 2.973 ( 0.000 9.553 6.285) 11.435 3.089 ( 0.000 5.893 0.330) 5.902 3.910 ( 0.000 -6.219 3.307) 7.044 4.080 ( 0.000 0.007 12.262) 12.262 4.306 ( 0.000 -6.360 8.877) 10.920 4.556 ( 0.000 -2.347 1.193) 2.633 4.939 ( -0.000 9.945 -6.130) 11.683 5.141 ( 0.000 7.280 0.162) 7.282 5.315 ( -0.000 0.924 -4.516) 4.609 5.354 ( -0.000 2.207 -13.446) 13.625 5.792 ( -0.000 8.590 -3.551) 9.295 6.215 ( -0.000 -7.668 -8.063) 11.127 6.274 ( -0.000 10.143 -3.391) 10.695 6.588 ( -0.000 -4.621 0.224) 4.626 6.771 ( -0.000 4.880 -5.346) 7.239 6.942 ( -0.000 -4.185 1.074) 4.321 7.355 ( -0.000 -2.376 -0.783) 2.502 7.505 ( 0.000 5.787 2.649) 6.365 7.555 ( 0.000 0.861 1.025) 1.339 7.647 ( -0.000 -1.166 -3.203) 3.409 7.976 ( 0.000 -3.229 1.983) 3.789 8.216 ( 0.000 -5.505 13.578) 14.652 14.136 ( 0.000 0.696 6.098) 6.138 14.257 ( 0.000 -0.615 5.446) 5.481 15.273 ( 0.000 -0.986 2.243) 2.450 15.515 ( 0.000 2.116 1.073) 2.373 17.092 ( -0.000 -1.510 -1.722) 2.291 17.270 ( -0.000 0.859 -6.363) 6.421 17.423 ( -0.000 -5.800 -7.292) 9.317 18.123 ( -0.000 7.454 -3.559) 8.260 ======================= Grid point 75 (40/90) ======================= q-point: (-0.31 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 7.184 -7.184 -14.883) 18.020 1.030 ( 9.685 -9.685 -16.336) 21.319 1.722 ( 11.203 -11.203 -24.323) 29.028 1.927 ( 1.468 -1.468 -5.382) 5.769 2.362 ( 1.351 -1.351 9.650) 9.837 2.501 ( 7.169 -7.169 7.364) 12.530 3.077 ( -5.146 5.146 2.838) 7.812 3.167 ( -3.612 3.612 4.723) 6.957 3.771 ( 1.086 -1.086 1.477) 2.131 4.153 ( 1.712 -1.712 14.513) 14.713 4.179 ( 5.492 -5.492 10.399) 12.979 4.527 ( 1.168 -1.168 1.526) 2.249 5.071 ( -9.198 9.198 -3.399) 13.444 5.294 ( -3.623 3.623 -14.543) 15.419 5.304 ( -2.097 2.097 -7.667) 8.221 5.322 ( 1.439 -1.439 -0.369) 2.068 5.984 ( 6.963 -6.963 -4.080) 10.659 6.031 ( -6.968 6.968 -3.829) 10.572 6.397 ( -3.866 3.866 -3.622) 6.558 6.558 ( -2.940 2.940 -5.055) 6.545 6.869 ( 1.179 -1.179 -1.549) 2.276 6.930 ( -0.073 0.073 -1.868) 1.871 7.290 ( 0.571 -0.571 -3.377) 3.472 7.536 ( -0.790 0.790 1.908) 2.211 7.577 ( -3.131 3.131 2.691) 5.182 7.646 ( 3.027 -3.027 -2.243) 4.832 7.946 ( 1.945 -1.945 3.002) 4.072 8.103 ( 5.711 -5.711 13.521) 15.749 14.166 ( 0.382 -0.382 8.423) 8.440 14.214 ( 1.042 -1.042 6.164) 6.338 15.265 ( -0.015 0.015 2.015) 2.016 15.540 ( -0.709 0.709 1.992) 2.230 17.094 ( 1.293 -1.293 -1.846) 2.598 17.297 ( 0.786 -0.786 -9.180) 9.247 17.321 ( 0.949 -0.949 -7.610) 7.728 18.214 ( -5.613 5.613 -4.018) 8.897 ======================= Grid point 78 (41/90) ======================= q-point: (-0.31 -0.09 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 7.422 4.699 -7.799) 11.747 1.889 ( 11.999 2.389 -2.993) 12.595 1.934 ( 4.033 0.473 1.071) 4.200 2.330 ( -14.919 -1.873 5.374) 15.967 2.602 ( 3.645 -3.045 4.051) 6.242 2.656 ( -4.982 -4.045 -0.429) 6.431 2.832 ( 3.871 4.951 -3.088) 7.002 2.882 ( -0.011 1.533 -0.966) 1.812 3.777 ( 6.396 -12.036 -1.069) 13.671 3.956 ( -9.586 -6.788 0.429) 11.754 4.485 ( 6.220 3.058 5.104) 8.607 4.578 ( -6.200 7.263 1.809) 9.719 4.948 ( 6.867 5.702 -3.126) 9.457 5.104 ( -5.235 3.890 -0.304) 6.529 5.315 ( 4.001 3.851 -1.617) 5.784 5.433 ( -4.596 6.030 -0.143) 7.583 5.711 ( 6.873 -0.922 -0.191) 6.937 5.782 ( -4.192 -2.207 -3.342) 5.798 6.672 ( 6.330 4.988 -0.319) 8.065 6.727 ( -5.735 6.307 -4.154) 9.483 6.884 ( 7.224 -1.330 -0.302) 7.352 7.112 ( -8.338 -2.731 4.446) 9.836 7.215 ( 4.373 2.624 0.448) 5.120 7.305 ( -3.084 -0.495 0.992) 3.278 7.495 ( 3.425 -4.033 -3.008) 6.086 7.615 ( -3.075 -2.393 1.738) 4.266 8.042 ( 0.536 -2.283 -0.611) 2.424 8.105 ( -2.212 -4.526 3.180) 5.958 14.097 ( -1.836 -1.331 -5.815) 6.241 14.205 ( -0.044 1.160 7.039) 7.134 15.361 ( 1.635 0.241 0.242) 1.670 15.407 ( -2.559 0.238 0.693) 2.662 17.205 ( -1.596 1.062 -6.330) 6.614 17.287 ( 2.172 2.274 5.698) 6.508 17.561 ( 6.888 -5.149 -6.602) 10.842 17.791 ( -5.296 -3.482 4.041) 7.516 ======================= Grid point 79 (42/90) ======================= q-point: ( 0.69 -0.09 -0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -1.468 2.437 -5.870) 6.523 2.004 ( -1.547 3.576 4.818) 6.196 2.038 ( -8.681 3.214 5.877) 10.965 2.233 ( 12.804 -1.286 -2.117) 13.042 2.439 ( -5.357 -2.868 -5.674) 8.314 2.604 ( 3.059 -3.040 2.393) 4.932 2.928 ( -2.645 3.136 0.033) 4.103 2.951 ( 0.226 2.947 -1.159) 3.175 3.628 ( -1.941 -8.368 3.541) 9.292 3.690 ( 8.518 -12.124 -1.481) 14.891 4.605 ( -8.699 9.898 1.610) 13.275 4.643 ( 0.558 2.823 -2.245) 3.649 5.097 ( -2.833 6.662 -3.018) 7.843 5.172 ( -1.401 2.558 0.412) 2.946 5.341 ( 0.068 3.935 -8.632) 9.487 5.625 ( 7.649 3.513 7.997) 11.610 5.687 ( -3.346 0.071 2.371) 4.101 5.784 ( 3.327 -5.354 4.119) 7.530 6.749 ( -4.555 6.402 -3.859) 8.753 6.866 ( 3.988 1.889 -2.510) 5.077 6.920 ( -2.835 -0.376 2.547) 3.830 6.970 ( 1.971 -2.478 0.545) 3.212 7.249 ( -2.788 1.341 -0.465) 3.128 7.334 ( 2.539 2.106 2.666) 4.241 7.466 ( -2.886 -3.550 1.854) 4.936 7.491 ( 3.932 -5.087 -2.154) 6.780 7.988 ( -0.394 -2.196 -1.180) 2.524 8.010 ( 0.205 -2.288 0.227) 2.309 14.052 ( -0.883 -0.243 -8.609) 8.658 14.226 ( -0.200 0.840 7.661) 7.710 15.344 ( -1.999 0.611 -1.902) 2.826 15.414 ( 1.247 -0.200 1.688) 2.108 17.195 ( -1.478 1.278 -6.930) 7.201 17.377 ( 2.152 1.600 4.273) 5.045 17.585 ( 5.373 -4.835 -3.212) 7.910 17.630 ( -2.300 -3.629 7.140) 8.333 ======================= Grid point 83 (43/90) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -0.000 0.000 -19.801) 19.801 0.384 ( -0.000 0.000 -19.801) 19.801 0.763 ( -0.000 0.000 -39.248) 39.248 1.800 ( -0.000 0.000 -4.345) 4.345 2.480 ( 0.000 -0.000 5.292) 5.292 2.480 ( 0.000 -0.000 5.292) 5.292 3.270 ( 0.000 -0.000 1.696) 1.696 3.270 ( 0.000 -0.000 1.696) 1.696 3.722 ( 0.000 -0.000 1.325) 1.325 4.345 ( 0.000 -0.000 14.676) 14.676 4.345 ( 0.000 -0.000 14.676) 14.676 4.512 ( 0.000 -0.000 0.595) 0.595 5.086 ( -0.000 0.000 -16.924) 16.924 5.086 ( -0.000 0.000 -16.924) 16.924 5.303 ( 0.000 -0.000 0.405) 0.405 5.303 ( 0.000 -0.000 0.405) 0.405 5.721 ( -0.000 0.000 -0.822) 0.822 6.256 ( 0.000 -0.000 4.738) 4.738 6.453 ( -0.000 0.000 -1.629) 1.629 6.804 ( 0.000 -0.000 5.482) 5.482 6.832 ( -0.000 0.000 -2.191) 2.191 7.084 ( -0.000 0.000 -7.081) 7.081 7.221 ( -0.000 0.000 -2.148) 2.148 7.221 ( -0.000 0.000 -2.148) 2.148 7.587 ( 0.000 -0.000 0.796) 0.796 7.676 ( 0.000 -0.000 1.193) 1.193 7.953 ( 0.000 -0.000 2.056) 2.056 7.953 ( 0.000 -0.000 2.056) 2.056 14.296 ( 0.000 -0.000 5.587) 5.587 14.296 ( 0.000 -0.000 5.587) 5.587 15.301 ( 0.000 -0.000 1.095) 1.095 15.597 ( 0.000 -0.000 1.689) 1.689 17.018 ( -0.000 0.000 -2.527) 2.527 17.131 ( -0.000 0.000 -6.037) 6.037 17.131 ( -0.000 0.000 -6.037) 6.037 18.335 ( -0.000 0.000 -1.228) 1.228 ======================= Grid point 85 (44/90) ======================= q-point: (-0.10 -0.10 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 12.235 12.235 -6.564) 18.506 1.181 ( 10.380 10.380 -8.983) 17.210 1.872 ( 2.934 2.934 -1.053) 4.281 2.169 ( 17.803 17.803 -7.409) 26.245 2.580 ( 2.117 2.117 5.627) 6.374 2.774 ( 0.657 0.657 0.944) 1.325 2.920 ( -3.956 -3.956 0.134) 5.596 3.009 ( -8.855 -8.855 3.702) 13.059 3.724 ( -4.280 -4.280 0.364) 6.064 4.393 ( -0.537 -0.537 7.721) 7.758 4.451 ( -6.463 -6.463 3.293) 9.716 4.620 ( 5.281 5.281 -0.248) 7.473 4.801 ( -0.100 -0.100 5.865) 5.867 5.115 ( 3.416 3.416 -1.337) 5.013 5.163 ( 2.644 2.644 -8.378) 9.174 5.355 ( 1.157 1.157 -2.314) 2.834 5.489 ( -1.953 -1.953 -13.839) 14.112 6.009 ( -5.859 -5.859 2.750) 8.731 6.307 ( 5.837 5.837 -6.462) 10.483 6.685 ( 4.424 4.424 1.471) 6.427 6.828 ( 0.607 0.607 -2.270) 2.427 7.074 ( 4.099 4.099 2.469) 6.300 7.246 ( 0.087 0.087 -2.245) 2.248 7.458 ( -4.940 -4.940 2.041) 7.278 7.503 ( -2.112 -2.112 0.770) 3.084 7.671 ( 0.691 0.691 -1.016) 1.410 8.049 ( 0.726 0.726 1.258) 1.624 8.362 ( -5.086 -5.086 8.941) 11.475 14.137 ( -4.112 -4.112 -3.372) 6.721 14.336 ( 0.899 0.899 5.985) 6.119 15.327 ( 0.797 0.797 1.231) 1.669 15.540 ( -1.316 -1.316 2.403) 3.039 17.162 ( -0.206 -0.206 -6.371) 6.377 17.173 ( 0.713 0.713 -6.584) 6.661 17.285 ( 3.660 3.660 4.658) 6.963 17.983 ( -2.671 -2.671 -1.243) 3.977 ======================= Grid point 86 (45/90) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 6.545 6.545 -8.071) 12.281 1.609 ( 12.382 12.382 -3.676) 17.893 1.973 ( 2.816 2.816 1.146) 4.144 2.565 ( -7.871 -7.871 3.407) 11.641 2.643 ( 0.495 0.495 6.512) 6.549 2.663 ( -7.001 -7.001 -0.904) 9.942 2.786 ( 9.592 9.592 -3.682) 14.056 2.839 ( 0.261 0.261 -2.914) 2.937 3.501 ( -6.375 -6.375 -1.960) 9.226 4.074 ( -9.822 -9.822 4.623) 14.639 4.509 ( 4.605 4.605 2.162) 6.862 4.823 ( 2.522 2.522 0.365) 3.585 4.899 ( 5.343 5.343 2.969) 8.118 5.191 ( 1.451 1.451 1.530) 2.560 5.288 ( 1.059 1.059 -8.310) 8.444 5.435 ( 2.164 2.164 -2.611) 4.023 5.562 ( 4.760 4.760 -6.487) 9.349 5.818 ( -1.146 -1.146 6.974) 7.160 6.532 ( 4.478 4.478 -6.827) 9.312 6.834 ( 2.803 2.803 1.536) 4.251 6.869 ( 1.303 1.303 -1.003) 2.097 7.227 ( -2.383 -2.383 0.393) 3.393 7.256 ( -3.360 -3.360 0.049) 4.752 7.258 ( 4.684 4.684 2.785) 7.185 7.402 ( -2.607 -2.607 -0.233) 3.694 7.646 ( -2.221 -2.221 0.788) 3.239 8.039 ( -1.056 -1.056 0.812) 1.700 8.125 ( -5.725 -5.725 2.948) 8.617 13.993 ( -2.789 -2.789 -4.701) 6.137 14.374 ( 0.908 0.908 6.354) 6.482 15.354 ( 0.309 0.309 0.055) 0.441 15.482 ( -1.264 -1.264 2.516) 3.086 17.130 ( -0.869 -0.869 -6.530) 6.645 17.196 ( 0.413 0.413 -7.066) 7.090 17.436 ( 3.307 3.307 5.851) 7.490 17.872 ( -2.815 -2.815 2.136) 4.518 ======================= Grid point 87 (46/90) ======================= q-point: (-0.10 -0.10 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 1.610 1.610 -8.216) 8.526 2.032 ( 6.988 6.988 -1.492) 9.994 2.113 ( 3.834 3.834 2.170) 5.840 2.274 ( -4.925 -4.925 3.172) 7.654 2.394 ( -4.962 -4.962 -3.457) 7.822 2.638 ( -0.195 -0.195 5.888) 5.895 2.896 ( 1.485 1.485 -4.695) 5.143 3.057 ( 3.251 3.251 0.506) 4.626 3.256 ( -4.617 -4.617 -4.240) 7.785 3.760 ( -4.724 -4.724 7.742) 10.226 4.627 ( 1.046 1.046 -1.262) 1.945 4.904 ( 1.443 1.443 6.628) 6.935 5.064 ( 1.670 1.670 -7.716) 8.070 5.239 ( -1.098 -1.098 -7.101) 7.268 5.300 ( 2.843 2.843 0.087) 4.021 5.490 ( 0.593 0.593 -3.585) 3.681 5.751 ( 3.138 3.138 1.364) 4.643 5.894 ( 2.311 2.311 12.098) 12.531 6.648 ( 1.339 1.339 -8.623) 8.828 6.903 ( 0.723 0.723 0.579) 1.175 6.921 ( 1.008 1.008 0.532) 1.522 7.092 ( -1.943 -1.943 3.222) 4.234 7.204 ( -0.839 -0.839 -2.402) 2.679 7.320 ( -1.042 -1.042 -1.718) 2.263 7.408 ( 1.731 1.731 3.296) 4.106 7.522 ( -2.369 -2.369 2.033) 3.919 7.961 ( -2.158 -2.158 -0.179) 3.057 7.992 ( -0.858 -0.858 0.558) 1.335 13.919 ( -0.910 -0.910 -5.363) 5.515 14.402 ( 0.389 0.389 6.617) 6.640 15.344 ( -0.460 -0.460 -0.666) 0.931 15.459 ( -0.039 -0.039 2.480) 2.480 17.105 ( -0.312 -0.312 -6.361) 6.376 17.206 ( 0.109 0.109 -7.399) 7.401 17.536 ( 1.494 1.494 5.087) 5.509 17.775 ( -1.624 -1.624 5.219) 5.702 ======================= Grid point 92 (47/90) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 0.000 18.913 -0.000) 18.913 0.971 ( 0.000 23.267 -0.000) 23.267 1.427 ( 0.000 32.548 -0.000) 32.548 1.816 ( 0.000 2.738 -0.000) 2.738 2.662 ( 0.000 5.342 -0.000) 5.342 2.678 ( 0.000 5.746 -0.000) 5.746 3.084 ( -0.000 -8.904 0.000) 8.904 3.186 ( -0.000 -9.647 0.000) 9.647 4.017 ( 0.000 7.959 -0.000) 7.959 4.433 ( -0.000 -0.010 0.000) 0.010 4.442 ( -0.000 -16.586 0.000) 16.586 4.715 ( -0.000 -6.710 0.000) 6.710 4.817 ( 0.000 7.808 -0.000) 7.808 5.036 ( 0.000 6.138 -0.000) 6.138 5.143 ( -0.000 -5.165 0.000) 5.165 5.179 ( -0.000 -5.242 0.000) 5.242 5.333 ( 0.000 2.677 -0.000) 2.677 6.069 ( 0.000 12.437 -0.000) 12.437 6.198 ( -0.000 -10.974 0.000) 10.974 6.605 ( 0.000 8.469 -0.000) 8.469 6.664 ( -0.000 -5.577 0.000) 5.577 7.004 ( 0.000 2.942 -0.000) 2.942 7.335 ( 0.000 4.975 -0.000) 4.975 7.541 ( -0.000 -3.830 0.000) 3.830 7.579 ( 0.000 0.805 -0.000) 0.805 7.590 ( -0.000 -3.783 0.000) 3.783 8.018 ( 0.000 1.801 -0.000) 1.801 8.663 ( -0.000 -5.753 0.000) 5.753 14.278 ( -0.000 -3.023 0.000) 3.023 14.286 ( -0.000 -3.103 0.000) 3.103 15.326 ( 0.000 0.715 -0.000) 0.715 15.526 ( -0.000 -3.920 0.000) 3.920 17.140 ( 0.000 6.819 -0.000) 6.819 17.181 ( 0.000 4.884 -0.000) 4.884 17.222 ( -0.000 -0.277 0.000) 0.277 17.982 ( -0.000 -2.049 0.000) 2.049 ======================= Grid point 93 (48/90) ======================= q-point: ( 0.11 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 3.904 15.152 -0.000) 15.647 1.369 ( -2.835 22.407 -0.000) 22.585 1.894 ( 1.313 3.411 -0.000) 3.655 2.176 ( 12.671 22.450 -0.000) 25.779 2.727 ( -1.771 5.266 -0.000) 5.556 2.788 ( -0.774 -0.467 -0.000) 0.904 2.868 ( -1.890 -9.300 0.000) 9.490 2.937 ( -4.387 -10.705 0.000) 11.569 3.971 ( -14.571 4.888 -0.000) 15.369 4.135 ( 3.374 -14.903 0.000) 15.280 4.572 ( 7.256 4.899 0.000) 8.755 4.599 ( 3.068 -5.904 0.000) 6.654 4.879 ( -7.752 -5.982 -0.000) 9.791 5.025 ( 4.513 7.319 -0.000) 8.598 5.163 ( 2.956 -4.859 0.000) 5.687 5.237 ( 2.946 9.957 -0.000) 10.384 5.422 ( 1.201 5.161 -0.000) 5.299 5.935 ( -1.101 -12.107 0.000) 12.157 6.345 ( 1.548 12.172 -0.000) 12.270 6.618 ( 6.013 -5.833 0.000) 8.377 6.787 ( 0.347 8.248 -0.000) 8.255 7.097 ( 3.228 3.150 0.000) 4.510 7.379 ( -4.562 5.334 -0.000) 7.019 7.408 ( -1.474 -7.595 0.000) 7.737 7.498 ( -1.668 -3.819 0.000) 4.168 7.632 ( 2.450 0.328 0.000) 2.472 8.055 ( 0.202 0.635 -0.000) 0.667 8.465 ( -5.775 -7.219 0.000) 9.245 14.109 ( -5.069 -3.839 -0.000) 6.358 14.318 ( 4.660 -2.476 0.000) 5.277 15.345 ( 0.115 0.816 -0.000) 0.824 15.469 ( 2.475 -4.730 0.000) 5.338 17.162 ( -3.616 1.550 -0.000) 3.934 17.239 ( -4.227 5.612 -0.000) 7.026 17.355 ( 3.747 6.340 -0.000) 7.365 17.935 ( -0.003 -2.872 0.000) 2.872 ======================= Grid point 94 (49/90) ======================= q-point: ( 0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 2.085 9.691 -0.000) 9.913 1.786 ( 1.777 19.552 -0.000) 19.632 2.001 ( 2.006 3.906 -0.000) 4.391 2.501 ( -3.665 -12.977 0.000) 13.485 2.580 ( -6.214 -10.124 0.000) 11.879 2.724 ( 2.915 0.529 0.000) 2.962 2.780 ( 3.474 4.072 -0.000) 5.352 2.804 ( -0.364 4.014 -0.000) 4.031 3.751 ( -16.360 5.883 -0.000) 17.386 3.960 ( 2.121 -10.531 0.000) 10.742 4.615 ( 4.741 -1.786 0.000) 5.066 4.683 ( 2.949 -7.490 0.000) 8.049 4.809 ( 4.291 5.345 -0.000) 6.854 5.145 ( 3.561 -1.874 0.000) 4.024 5.191 ( -0.041 1.085 -0.000) 1.086 5.502 ( 4.873 7.346 -0.000) 8.815 5.573 ( -0.017 8.019 -0.000) 8.019 5.814 ( 6.014 -0.659 0.000) 6.050 6.580 ( -1.112 9.942 -0.000) 10.004 6.643 ( 7.812 -6.093 0.000) 9.908 6.922 ( -1.196 5.579 -0.000) 5.706 7.207 ( -1.807 -7.954 0.000) 8.157 7.251 ( 5.783 2.565 0.000) 6.326 7.371 ( -1.822 -4.778 0.000) 5.113 7.390 ( -5.247 5.656 -0.000) 7.715 7.645 ( -0.746 -1.533 0.000) 1.705 8.031 ( -1.479 -1.586 0.000) 2.169 8.191 ( -6.849 -5.735 -0.000) 8.933 13.952 ( -3.463 -2.826 -0.000) 4.470 14.364 ( 4.500 -2.301 0.000) 5.054 15.345 ( 0.055 -1.525 0.000) 1.526 15.441 ( 2.264 -2.319 0.000) 3.241 17.122 ( -3.188 1.493 -0.000) 3.520 17.251 ( -5.205 5.263 -0.000) 7.402 17.539 ( 1.343 6.203 -0.000) 6.347 17.866 ( -0.629 -3.039 0.000) 3.104 ======================= Grid point 95 (50/90) ======================= q-point: ( 0.11 -0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -1.808 5.319 -0.000) 5.618 2.118 ( 3.461 1.710 0.000) 3.860 2.134 ( 3.395 2.136 0.000) 4.011 2.241 ( -3.031 1.818 -0.000) 3.534 2.277 ( -3.075 -7.940 0.000) 8.514 2.686 ( 1.486 -2.372 0.000) 2.799 2.863 ( -0.086 1.889 -0.000) 1.891 2.924 ( 2.292 -1.824 0.000) 2.929 3.601 ( -14.472 10.814 -0.000) 18.067 3.798 ( -0.881 -4.648 0.000) 4.731 4.636 ( -0.763 0.545 -0.000) 0.938 4.675 ( 15.236 -14.141 0.000) 20.788 4.925 ( 2.134 -0.119 0.000) 2.138 5.124 ( -4.069 0.992 -0.000) 4.188 5.230 ( 4.663 -0.288 0.000) 4.672 5.708 ( -4.187 8.412 -0.000) 9.397 5.725 ( 5.925 1.803 0.000) 6.193 6.012 ( 3.962 4.079 -0.000) 5.687 6.667 ( 7.860 -7.346 0.000) 10.758 6.680 ( -4.734 6.114 -0.000) 7.732 6.959 ( -2.333 2.261 -0.000) 3.249 7.069 ( 0.684 -3.839 0.000) 3.900 7.268 ( 0.307 -3.111 0.000) 3.126 7.399 ( -4.426 5.210 -0.000) 6.836 7.405 ( 4.096 2.188 0.000) 4.644 7.536 ( -3.935 -3.267 -0.000) 5.114 7.960 ( -1.546 -1.175 -0.000) 1.942 8.021 ( -2.527 -1.391 -0.000) 2.885 13.865 ( -1.062 -1.141 0.000) 1.558 14.397 ( 3.764 -2.835 0.000) 4.712 15.306 ( 0.982 -2.411 0.000) 2.603 15.454 ( 1.218 -0.556 0.000) 1.338 17.098 ( -2.642 2.055 -0.000) 3.347 17.249 ( -5.105 4.967 -0.000) 7.123 17.644 ( -1.779 4.484 -0.000) 4.824 17.806 ( 0.062 -1.893 0.000) 1.894 ======================= Grid point 101 (51/90) ======================= q-point: ( 0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.000 13.058 3.648) 13.558 1.824 ( 0.000 15.303 0.613) 15.315 1.968 ( 0.000 4.192 0.392) 4.210 2.460 ( 0.000 9.201 -1.736) 9.363 2.664 ( -0.000 -6.083 -0.952) 6.157 2.705 ( -0.000 -5.287 -4.376) 6.863 2.793 ( -0.000 -2.123 -0.083) 2.124 2.835 ( 0.000 -2.742 2.957) 4.033 3.867 ( 0.000 -9.379 4.537) 10.419 4.245 ( -0.000 -5.447 -8.475) 10.074 4.389 ( 0.000 10.032 3.055) 10.487 4.548 ( 0.000 -1.470 4.776) 4.997 4.905 ( -0.000 -6.645 -0.560) 6.668 4.926 ( -0.000 -1.181 -6.785) 6.887 5.212 ( 0.000 4.052 4.950) 6.397 5.308 ( -0.000 10.243 -6.960) 12.384 5.651 ( 0.000 7.655 6.352) 9.947 5.712 ( 0.000 -12.334 4.589) 13.160 6.485 ( 0.000 -3.941 2.835) 4.855 6.592 ( 0.000 12.106 -1.082) 12.155 6.935 ( 0.000 7.504 -1.998) 7.766 7.131 ( 0.000 3.930 1.543) 4.221 7.224 ( -0.000 -10.071 -2.049) 10.277 7.382 ( -0.000 -4.747 -2.928) 5.577 7.559 ( 0.000 3.412 2.032) 3.971 7.617 ( 0.000 -0.107 0.969) 0.975 8.079 ( 0.000 0.731 0.832) 1.107 8.317 ( -0.000 -7.012 -4.127) 8.137 14.147 ( 0.000 -4.457 1.655) 4.755 14.156 ( -0.000 -1.552 -0.556) 1.648 15.363 ( 0.000 -4.287 1.519) 4.549 15.368 ( 0.000 1.689 -0.163) 1.697 17.202 ( -0.000 -0.350 -0.647) 0.736 17.306 ( -0.000 5.940 -6.076) 8.497 17.587 ( 0.000 8.582 5.871) 10.398 17.872 ( -0.000 -4.049 0.095) 4.050 ======================= Grid point 102 (52/90) ======================= q-point: ( 0.32 -0.12 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -0.186 8.301 2.309) 8.619 1.995 ( 1.835 2.408 -7.837) 8.402 2.114 ( -2.224 3.454 1.290) 4.306 2.280 ( -3.093 -5.289 -6.757) 9.121 2.546 ( -5.732 -11.065 3.875) 13.050 2.606 ( 2.084 -3.723 2.507) 4.948 2.812 ( 3.569 -2.486 1.217) 4.517 2.852 ( 1.899 5.915 1.097) 6.309 3.775 ( 2.609 -4.454 4.855) 7.087 4.131 ( -1.243 -3.549 -4.950) 6.216 4.300 ( -8.073 -0.774 4.711) 9.379 4.663 ( -1.697 -1.902 -4.146) 4.867 4.831 ( 5.519 -0.233 4.185) 6.930 5.010 ( 5.383 3.651 -5.596) 8.581 5.271 ( -2.650 3.392 0.575) 4.343 5.533 ( 2.282 -0.292 4.266) 4.847 5.574 ( 5.294 4.911 -5.920) 9.338 5.875 ( 1.964 11.096 3.226) 11.721 6.463 ( 2.862 -2.089 1.719) 3.938 6.812 ( -0.235 8.678 -2.712) 9.094 7.002 ( -0.051 -9.477 -2.578) 9.821 7.068 ( -1.200 5.766 -0.726) 5.935 7.222 ( 1.687 2.155 2.446) 3.670 7.258 ( -0.149 -5.623 -1.765) 5.895 7.578 ( -2.465 1.372 1.226) 3.076 7.633 ( -0.551 1.017 -0.171) 1.169 8.053 ( -1.819 -1.608 1.707) 2.968 8.143 ( -2.503 -6.392 -1.244) 6.976 14.003 ( -3.384 -3.012 3.435) 5.685 14.193 ( 4.458 -2.475 -0.333) 5.109 15.287 ( 0.454 -3.607 1.541) 3.948 15.410 ( 0.695 1.470 0.336) 1.660 17.178 ( -1.590 0.350 -1.212) 2.029 17.415 ( -0.471 4.411 -4.378) 6.232 17.727 ( -3.258 7.354 1.706) 8.222 17.797 ( -0.216 -1.644 -0.680) 1.792 ======================= Grid point 103 (53/90) ======================= q-point: (-0.68 -0.12 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 1.309 -4.345 -4.956) 6.720 1.875 ( -3.131 -2.940 -5.462) 6.949 2.080 ( 3.686 -0.109 -2.892) 4.687 2.193 ( -1.755 -8.117 4.088) 9.256 2.472 ( 2.540 3.856 1.829) 4.966 2.645 ( -0.049 5.589 2.165) 5.994 2.820 ( 5.674 -5.436 2.650) 8.292 2.897 ( -2.482 -0.932 -0.095) 2.653 3.723 ( -0.976 -1.695 -0.254) 1.973 4.072 ( -3.761 3.239 0.559) 4.995 4.151 ( 2.792 -7.758 2.039) 8.494 4.601 ( 0.450 -2.103 -2.087) 2.997 4.848 ( 2.549 -3.637 1.692) 4.753 5.208 ( 2.723 4.043 1.288) 5.042 5.293 ( -4.917 5.771 -0.494) 7.597 5.580 ( 5.819 -2.770 -0.640) 6.476 5.838 ( 3.156 7.496 -3.706) 8.938 6.070 ( -3.449 7.197 -3.512) 8.720 6.487 ( 2.760 -1.322 2.132) 3.730 6.771 ( 1.727 -7.920 -0.325) 8.112 7.000 ( 0.059 3.535 -3.492) 4.969 7.118 ( -3.812 4.398 1.468) 6.003 7.157 ( 0.772 -2.622 -1.774) 3.258 7.337 ( 3.686 2.382 1.825) 4.753 7.498 ( -3.322 -3.144 -0.942) 4.670 7.637 ( -3.405 3.556 0.581) 4.957 7.970 ( -0.856 -2.299 1.580) 2.918 8.016 ( -0.550 -2.696 0.783) 2.861 13.911 ( -1.095 -1.386 4.784) 5.100 14.222 ( 4.134 -3.317 -0.512) 5.325 15.240 ( 1.078 -2.389 1.404) 2.974 15.445 ( 0.225 0.835 0.463) 0.981 17.161 ( -1.467 1.033 -1.294) 2.212 17.465 ( -2.253 3.438 -0.500) 4.141 17.701 ( 0.218 -2.354 -4.786) 5.338 17.849 ( -5.788 8.380 0.105) 10.185 ======================= Grid point 110 (54/90) ======================= q-point: (-0.47 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -0.000 -9.141 -14.742) 17.345 1.788 ( -0.000 -15.660 -12.301) 19.914 1.931 ( 0.000 3.082 1.763) 3.550 2.299 ( -0.000 -2.889 -1.239) 3.144 2.531 ( 0.000 -9.579 4.594) 10.624 2.561 ( 0.000 -4.986 6.516) 8.205 2.731 ( 0.000 2.290 2.382) 3.304 2.977 ( 0.000 5.723 -0.214) 5.727 3.869 ( 0.000 -0.245 9.803) 9.806 3.951 ( -0.000 -3.998 0.201) 4.003 4.391 ( 0.000 -11.210 3.766) 11.826 4.610 ( -0.000 -3.622 -0.457) 3.651 4.883 ( -0.000 7.839 -7.918) 11.142 4.943 ( 0.000 9.774 2.247) 10.029 5.346 ( -0.000 1.770 -1.603) 2.388 5.493 ( -0.000 6.117 -9.813) 11.564 5.649 ( 0.000 3.847 4.757) 6.118 6.109 ( 0.000 11.762 -1.873) 11.910 6.437 ( -0.000 -1.066 -2.506) 2.723 6.719 ( -0.000 -11.162 -0.699) 11.184 6.801 ( -0.000 4.860 -7.886) 9.264 7.071 ( -0.000 -7.091 -1.908) 7.343 7.289 ( 0.000 8.604 3.526) 9.299 7.338 ( 0.000 2.303 2.604) 3.476 7.570 ( -0.000 -1.814 -0.665) 1.932 7.692 ( -0.000 1.764 -1.312) 2.198 8.033 ( -0.000 -5.154 0.598) 5.188 8.101 ( 0.000 -3.143 6.881) 7.565 14.051 ( 0.000 -2.060 3.960) 4.464 14.165 ( 0.000 -0.639 4.813) 4.856 15.261 ( 0.000 -2.357 2.319) 3.307 15.454 ( 0.000 2.003 0.929) 2.208 17.153 ( -0.000 -0.898 -1.897) 2.099 17.366 ( -0.000 3.220 -7.567) 8.223 17.648 ( -0.000 -5.115 -4.302) 6.683 17.997 ( 0.000 8.511 0.171) 8.513 ======================= Grid point 111 (55/90) ======================= q-point: (-0.47 -0.13 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.199 -12.798 -12.333) 17.774 1.547 ( 5.166 -9.638 -16.474) 19.773 1.999 ( 1.062 1.435 -2.069) 2.733 2.243 ( -2.892 -7.086 10.388) 12.903 2.276 ( 6.592 -6.524 -10.607) 14.090 2.548 ( 9.937 -10.150 6.323) 15.549 2.875 ( -0.060 8.944 3.072) 9.457 3.022 ( -5.407 3.300 1.298) 6.466 3.773 ( -4.036 -1.881 2.288) 5.006 3.949 ( 3.385 -1.240 7.352) 8.188 4.191 ( 3.593 -10.468 6.961) 13.075 4.538 ( -0.104 -1.867 0.143) 1.876 4.938 ( -7.504 8.480 -2.658) 11.631 5.241 ( 5.695 8.145 -2.853) 10.340 5.385 ( 0.962 1.078 -2.706) 3.067 5.492 ( -6.703 -0.589 -5.292) 8.561 5.864 ( 5.595 9.627 -1.079) 11.187 6.225 ( -7.537 0.984 -4.939) 9.065 6.426 ( 4.462 -1.475 -4.526) 6.525 6.575 ( -2.408 -0.487 -0.800) 2.583 6.945 ( 3.654 3.630 -6.431) 8.239 6.960 ( 1.755 -4.426 -0.613) 4.801 7.361 ( 0.001 0.332 -0.471) 0.576 7.418 ( -2.503 6.328 3.395) 7.605 7.500 ( -3.126 -1.636 1.057) 3.683 7.718 ( 0.281 0.660 -1.836) 1.971 7.944 ( 0.902 -3.559 2.448) 4.413 8.006 ( 0.789 -5.276 8.013) 9.626 14.018 ( -0.084 -0.857 7.082) 7.134 14.145 ( 1.724 -2.627 5.179) 6.057 15.231 ( 0.100 -0.799 2.067) 2.219 15.486 ( -0.178 1.154 1.524) 1.920 17.146 ( 0.300 -0.194 -2.255) 2.283 17.434 ( 1.473 2.298 -7.728) 8.196 17.536 ( -1.445 -4.119 -6.683) 7.982 18.128 ( -4.361 8.176 -1.520) 9.390 ======================= Grid point 116 (56/90) ======================= q-point: ( 0.53 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -10.801 10.801 5.469) 16.224 1.703 ( -6.826 6.826 8.110) 12.608 1.962 ( -0.844 0.844 0.854) 1.468 2.501 ( 7.812 -7.812 -3.105) 11.476 2.508 ( -1.050 1.050 -7.625) 7.768 2.667 ( 4.006 -4.006 -0.285) 5.673 2.867 ( -5.562 5.562 4.153) 8.894 2.872 ( -1.226 1.226 0.771) 1.898 3.553 ( 4.756 -4.756 3.457) 7.563 3.985 ( 11.440 -11.440 -4.290) 16.737 4.449 ( -8.114 8.114 -3.778) 12.082 4.713 ( -2.005 2.005 -6.292) 6.901 4.953 ( -7.241 7.241 3.431) 10.800 5.177 ( 0.052 -0.052 0.080) 0.108 5.412 ( -3.716 3.716 2.193) 5.694 5.510 ( -2.498 2.498 4.891) 6.033 5.692 ( -1.094 1.094 6.541) 6.721 5.710 ( 6.192 -6.192 -1.302) 8.854 6.677 ( -5.034 5.034 7.634) 10.439 6.777 ( -3.339 3.339 -4.729) 6.683 6.897 ( -0.307 0.307 1.942) 1.990 7.163 ( 5.384 -5.384 -4.869) 9.037 7.204 ( -4.177 4.177 -2.263) 6.325 7.305 ( 0.759 -0.759 3.761) 3.911 7.409 ( 1.676 -1.676 0.410) 2.406 7.621 ( 3.278 -3.278 -1.800) 4.973 8.018 ( 0.803 -0.803 -1.417) 1.816 8.065 ( 3.144 -3.144 -2.871) 5.293 14.104 ( 1.743 -1.743 6.357) 6.818 14.217 ( -0.691 0.691 -9.435) 9.485 15.343 ( -1.243 1.243 -1.376) 2.232 15.440 ( 1.541 -1.541 -1.174) 2.475 17.278 ( 0.648 -0.648 5.915) 5.985 17.303 ( -2.491 2.491 -5.156) 6.244 17.370 ( -0.686 0.686 10.483) 10.528 17.810 ( 4.770 -4.770 -4.136) 7.913 ======================= Grid point 119 (57/90) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 -10.552 -16.996) 20.005 0.894 ( -0.000 -13.099 -15.545) 20.328 1.598 ( -0.000 -11.063 -29.806) 31.793 1.914 ( -0.000 -0.695 -5.770) 5.812 2.378 ( 0.000 -4.191 9.307) 10.207 2.395 ( 0.000 -5.695 8.984) 10.637 3.145 ( 0.000 7.098 4.902) 8.627 3.188 ( 0.000 3.595 2.151) 4.189 3.768 ( -0.000 -6.842 1.869) 7.093 4.081 ( 0.000 0.125 12.240) 12.241 4.164 ( 0.000 -6.800 13.233) 14.878 4.514 ( 0.000 -1.728 1.373) 2.208 5.184 ( -0.000 12.396 -6.875) 14.175 5.254 ( 0.000 3.818 0.500) 3.851 5.329 ( -0.000 1.344 -6.427) 6.566 5.395 ( -0.000 1.655 -16.016) 16.101 5.859 ( -0.000 -4.839 -1.500) 5.066 6.121 ( 0.000 -1.311 2.131) 2.502 6.438 ( -0.000 5.862 -3.140) 6.650 6.636 ( -0.000 9.863 -8.506) 13.025 6.857 ( -0.000 3.454 -4.702) 5.834 6.908 ( 0.000 3.199 -0.895) 3.322 7.302 ( -0.000 -2.474 -2.476) 3.500 7.557 ( 0.000 0.496 1.778) 1.846 7.578 ( -0.000 -7.650 -1.861) 7.873 7.610 ( 0.000 3.172 2.486) 4.030 7.921 ( 0.000 -2.091 3.007) 3.663 8.035 ( 0.000 -11.280 11.636) 16.206 14.151 ( 0.000 0.682 7.670) 7.701 14.208 ( 0.000 -3.660 8.250) 9.025 15.267 ( 0.000 0.310 1.816) 1.842 15.546 ( 0.000 1.009 2.047) 2.282 17.078 ( -0.000 -0.017 -3.372) 3.372 17.280 ( -0.000 0.135 -8.087) 8.089 17.323 ( -0.000 -3.928 -8.385) 9.260 18.278 ( -0.000 7.387 -3.744) 8.281 ======================= Grid point 123 (58/90) ======================= q-point: (-0.26 -0.14 0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 4.024 4.208 -9.033) 10.747 1.956 ( 13.767 4.652 -3.608) 14.973 1.976 ( 0.929 3.030 3.850) 4.987 2.288 ( -12.281 -2.542 3.552) 13.035 2.546 ( 2.478 -2.141 5.563) 6.455 2.558 ( -6.100 -5.062 -2.547) 8.326 2.915 ( 2.651 2.594 -1.483) 3.994 2.950 ( 1.332 5.482 -0.944) 5.720 3.535 ( 3.407 -11.124 -4.644) 12.527 3.770 ( -9.141 -10.222 5.544) 14.791 4.589 ( 4.968 5.541 -0.147) 7.444 4.715 ( -2.205 5.025 5.183) 7.548 5.079 ( 4.469 7.599 -4.736) 10.007 5.183 ( -0.028 4.688 1.812) 5.026 5.397 ( -2.849 3.218 -8.434) 9.466 5.540 ( -1.477 3.951 3.258) 5.330 5.670 ( 6.087 -3.050 2.086) 7.120 5.734 ( 0.160 -1.985 -1.157) 2.303 6.766 ( 4.423 3.891 -5.270) 7.904 6.847 ( -3.559 4.938 -1.484) 6.265 6.866 ( 3.823 0.166 0.594) 3.872 7.053 ( -5.623 -2.917 5.427) 8.342 7.273 ( 2.101 2.289 1.118) 3.302 7.299 ( -0.197 0.055 -0.059) 0.213 7.411 ( 2.379 -3.812 -3.034) 5.422 7.546 ( -3.961 -4.151 2.714) 6.347 8.000 ( -0.788 -1.770 0.066) 1.938 8.021 ( -1.330 -3.513 1.367) 3.997 14.074 ( -1.294 -0.959 -7.813) 7.977 14.226 ( 0.196 0.881 9.094) 9.138 15.366 ( 0.569 0.165 -0.617) 0.855 15.407 ( -1.223 -0.140 1.951) 2.306 17.235 ( -2.490 1.790 -8.285) 8.834 17.336 ( 1.767 2.648 5.266) 6.154 17.458 ( 6.023 -4.663 -6.759) 10.183 17.713 ( -4.726 -4.069 6.507) 9.013 ======================= Grid point 124 (59/90) ======================= q-point: ( 0.74 -0.14 -0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -1.255 1.255 -9.151) 9.321 2.063 ( -0.682 0.682 7.753) 7.813 2.114 ( -5.075 5.075 2.461) 7.587 2.178 ( 4.292 -4.292 -1.669) 6.295 2.416 ( -0.772 0.772 -5.506) 5.614 2.548 ( 2.197 -2.197 4.668) 5.608 2.994 ( -0.744 0.744 -3.328) 3.490 3.003 ( -4.100 4.100 0.518) 5.821 3.442 ( 8.779 -8.779 -5.992) 13.786 3.542 ( 2.079 -2.079 9.326) 9.778 4.678 ( -0.715 0.715 -3.552) 3.693 4.747 ( -3.794 3.794 5.372) 7.593 5.234 ( -5.322 5.322 -3.883) 8.469 5.252 ( -5.527 5.527 -4.666) 9.103 5.371 ( 0.953 -0.953 -9.129) 9.228 5.659 ( 4.734 -4.734 -3.021) 7.345 5.660 ( 2.064 -2.064 14.683) 14.970 5.693 ( -1.025 1.025 5.200) 5.398 6.859 ( 2.005 -2.005 -8.314) 8.784 6.863 ( -4.483 4.483 -1.308) 6.474 6.912 ( 0.415 -0.415 0.317) 0.667 6.965 ( -1.432 1.432 6.205) 6.527 7.266 ( -0.158 0.158 -2.298) 2.308 7.353 ( 0.640 -0.640 4.433) 4.525 7.398 ( 3.440 -3.440 -3.753) 6.144 7.430 ( -0.559 0.559 3.350) 3.442 7.959 ( 0.611 -0.611 -0.957) 1.290 7.978 ( 0.807 -0.807 0.614) 1.296 14.052 ( -0.187 0.187 -9.138) 9.142 14.238 ( -0.327 0.327 9.337) 9.348 15.357 ( -0.587 0.587 -1.835) 2.013 15.409 ( 0.305 -0.305 2.461) 2.499 17.229 ( -1.989 1.989 -8.678) 9.122 17.392 ( 0.171 -0.171 -0.721) 0.761 17.483 ( 4.850 -4.850 -1.583) 7.039 17.596 ( -0.350 0.350 10.102) 10.115 ======================= Grid point 138 (60/90) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 0.000 16.678 -0.000) 16.678 1.421 ( 0.000 21.333 -0.000) 21.333 1.880 ( 0.000 3.645 -0.000) 3.645 2.026 ( 0.000 26.538 -0.000) 26.538 2.762 ( 0.000 3.949 -0.000) 3.949 2.779 ( 0.000 3.510 -0.000) 3.510 2.888 ( -0.000 -10.239 0.000) 10.239 2.984 ( -0.000 -10.476 0.000) 10.476 4.100 ( -0.000 -16.534 0.000) 16.534 4.175 ( 0.000 8.166 -0.000) 8.166 4.450 ( 0.000 1.518 -0.000) 1.518 4.552 ( -0.000 -9.362 0.000) 9.362 4.973 ( 0.000 7.575 -0.000) 7.575 5.030 ( -0.000 -6.159 0.000) 6.159 5.081 ( -0.000 -4.036 0.000) 4.036 5.209 ( 0.000 10.968 -0.000) 10.968 5.404 ( 0.000 4.357 -0.000) 4.357 5.946 ( -0.000 -13.702 0.000) 13.702 6.330 ( 0.000 13.372 -0.000) 13.372 6.551 ( -0.000 -5.371 0.000) 5.371 6.785 ( 0.000 9.110 -0.000) 9.110 7.063 ( 0.000 2.852 -0.000) 2.852 7.422 ( -0.000 -7.647 0.000) 7.647 7.436 ( 0.000 4.991 -0.000) 4.991 7.516 ( -0.000 -4.055 0.000) 4.055 7.596 ( 0.000 0.759 -0.000) 0.759 8.052 ( 0.000 1.476 -0.000) 1.476 8.526 ( -0.000 -7.702 0.000) 7.702 14.214 ( -0.000 -4.034 0.000) 4.034 14.217 ( -0.000 -2.965 0.000) 2.965 15.344 ( 0.000 1.057 -0.000) 1.057 15.439 ( -0.000 -4.599 0.000) 4.599 17.216 ( -0.000 -0.258 0.000) 0.258 17.288 ( 0.000 5.628 -0.000) 5.628 17.300 ( 0.000 8.946 -0.000) 8.946 17.932 ( -0.000 -2.840 0.000) 2.840 ======================= Grid point 139 (61/90) ======================= q-point: ( 0.17 -0.17 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.442 12.606 -0.000) 12.688 1.793 ( -1.760 19.239 -0.000) 19.320 1.973 ( 0.820 4.610 -0.000) 4.682 2.515 ( 2.970 5.342 -0.000) 6.112 2.668 ( -0.314 -4.464 0.000) 4.475 2.702 ( -5.576 -8.094 0.000) 9.829 2.770 ( -0.286 -6.053 0.000) 6.059 2.812 ( -0.057 2.162 -0.000) 2.162 3.873 ( 5.038 -10.510 0.000) 11.655 4.089 ( -16.799 6.860 -0.000) 18.145 4.430 ( 7.613 -10.370 0.000) 12.864 4.677 ( 9.214 5.273 0.000) 10.617 4.795 ( -7.553 -2.949 -0.000) 8.109 5.081 ( 2.968 -2.532 0.000) 3.901 5.153 ( 2.755 5.387 -0.000) 6.050 5.460 ( -0.020 10.270 -0.000) 10.270 5.541 ( 2.518 6.508 -0.000) 6.978 5.709 ( 4.055 -8.053 0.000) 9.016 6.510 ( 4.963 -4.542 0.000) 6.728 6.597 ( -0.494 12.572 -0.000) 12.582 6.948 ( -1.138 7.496 -0.000) 7.582 7.152 ( 3.671 2.205 0.000) 4.283 7.235 ( -0.893 -9.493 0.000) 9.535 7.404 ( -1.281 -5.516 0.000) 5.663 7.483 ( -3.929 4.860 -0.000) 6.250 7.634 ( 1.523 -0.114 0.000) 1.527 8.059 ( -1.123 -0.310 -0.000) 1.165 8.311 ( -4.603 -7.853 0.000) 9.103 14.036 ( -4.803 -3.472 -0.000) 5.926 14.261 ( 5.553 -3.072 0.000) 6.346 15.344 ( -0.059 -2.367 0.000) 2.368 15.394 ( 2.122 -1.156 0.000) 2.417 17.183 ( -2.611 0.741 -0.000) 2.715 17.353 ( -4.304 5.550 -0.000) 7.023 17.511 ( 1.263 8.978 -0.000) 9.067 17.872 ( 0.046 -3.337 0.000) 3.337 ======================= Grid point 140 (62/90) ======================= q-point: ( 0.17 -0.17 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.794 8.008 -0.000) 8.048 2.080 ( 0.475 3.266 -0.000) 3.301 2.089 ( 0.748 3.535 -0.000) 3.613 2.306 ( -3.542 0.962 -0.000) 3.671 2.348 ( -4.466 -11.885 0.000) 12.696 2.647 ( 2.469 -4.909 0.000) 5.495 2.850 ( 1.582 -0.035 0.000) 1.582 2.883 ( 1.961 2.910 -0.000) 3.510 3.795 ( 1.870 -5.742 0.000) 6.039 3.907 ( -15.741 8.801 -0.000) 18.034 4.392 ( 11.995 -13.314 0.000) 17.920 4.666 ( -2.353 -0.755 -0.000) 2.471 4.872 ( 3.522 -0.173 0.000) 3.527 5.140 ( 3.825 1.502 0.000) 4.109 5.202 ( -3.422 1.985 -0.000) 3.956 5.587 ( 7.101 1.553 0.000) 7.269 5.735 ( 1.298 7.767 -0.000) 7.875 5.912 ( 5.527 8.947 -0.000) 10.516 6.531 ( 5.529 -4.653 0.000) 7.227 6.768 ( -3.924 7.409 -0.000) 8.384 7.014 ( -2.622 1.932 -0.000) 3.257 7.061 ( -0.018 -3.973 0.000) 3.973 7.269 ( -0.346 -5.163 0.000) 5.174 7.287 ( 5.883 1.240 0.000) 6.012 7.493 ( -4.024 4.061 -0.000) 5.717 7.610 ( -2.633 -1.420 -0.000) 2.992 7.997 ( -2.069 -1.874 -0.000) 2.791 8.087 ( -3.741 -4.509 0.000) 5.859 13.901 ( -2.555 -2.223 -0.000) 3.387 14.306 ( 5.182 -3.424 0.000) 6.212 15.287 ( 0.907 -3.446 0.000) 3.563 15.428 ( 1.284 0.403 0.000) 1.346 17.153 ( -2.590 1.532 -0.000) 3.009 17.359 ( -5.532 5.309 -0.000) 7.668 17.680 ( -1.749 7.838 -0.000) 8.031 17.805 ( 0.019 -2.915 0.000) 2.915 ======================= Grid point 141 (63/90) ======================= q-point: ( 0.17 0.83 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -5.128 5.128 -0.000) 7.252 2.016 ( 5.552 -5.552 0.000) 7.851 2.060 ( 5.456 -5.456 0.000) 7.716 2.217 ( -0.743 0.743 -0.000) 1.051 2.419 ( -6.935 6.935 -0.000) 9.808 2.635 ( 2.271 -2.271 0.000) 3.212 2.867 ( 1.751 -1.751 0.000) 2.476 2.887 ( 1.158 -1.158 0.000) 1.638 3.743 ( 1.217 -1.217 0.000) 1.721 3.836 ( -11.961 11.961 -0.000) 16.915 4.382 ( 14.160 -14.160 0.000) 20.025 4.635 ( 0.399 -0.399 0.000) 0.564 4.878 ( 3.364 -3.364 0.000) 4.757 5.194 ( -4.888 4.888 -0.000) 6.913 5.215 ( 1.057 -1.057 0.000) 1.495 5.705 ( 3.663 -3.663 0.000) 5.181 5.841 ( -4.370 4.370 -0.000) 6.180 6.082 ( -2.505 2.505 -0.000) 3.542 6.536 ( 5.205 -5.205 0.000) 7.361 6.766 ( -1.690 1.690 -0.000) 2.390 7.002 ( -2.230 2.230 -0.000) 3.153 7.036 ( -1.102 1.102 -0.000) 1.559 7.214 ( 2.174 -2.174 0.000) 3.074 7.400 ( 2.515 -2.515 0.000) 3.557 7.470 ( -0.224 0.224 -0.000) 0.316 7.540 ( -5.068 5.068 -0.000) 7.168 7.950 ( 0.102 -0.102 0.000) 0.144 8.004 ( 0.183 -0.183 0.000) 0.259 13.852 ( 0.122 -0.122 0.000) 0.172 14.325 ( 4.321 -4.321 0.000) 6.110 15.259 ( 2.096 -2.096 0.000) 2.964 15.447 ( 0.271 -0.271 0.000) 0.384 17.142 ( -2.165 2.165 -0.000) 3.062 17.355 ( -5.429 5.429 -0.000) 7.677 17.743 ( -5.293 5.293 -0.000) 7.486 17.773 ( 1.334 -1.334 0.000) 1.886 ======================= Grid point 148 (64/90) ======================= q-point: ( 0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 0.000 9.556 2.568) 9.895 1.974 ( -0.000 1.247 -9.644) 9.724 2.141 ( 0.000 9.959 3.308) 10.494 2.326 ( -0.000 -14.052 -10.104) 17.307 2.552 ( 0.000 -3.395 2.396) 4.156 2.666 ( -0.000 -9.817 2.816) 10.213 2.737 ( 0.000 -7.437 4.724) 8.811 2.830 ( 0.000 9.297 0.494) 9.310 3.740 ( 0.000 -3.208 6.295) 7.066 4.111 ( -0.000 -7.102 -4.371) 8.340 4.495 ( 0.000 -5.131 3.824) 6.399 4.611 ( 0.000 10.408 0.382) 10.415 4.779 ( 0.000 -4.427 1.666) 4.730 4.948 ( -0.000 3.531 -9.850) 10.464 5.304 ( 0.000 4.530 1.252) 4.700 5.507 ( -0.000 9.142 -8.752) 12.656 5.515 ( 0.000 -6.114 7.688) 9.822 5.850 ( 0.000 11.858 4.253) 12.598 6.435 ( 0.000 -0.625 1.482) 1.608 6.813 ( -0.000 9.378 -4.961) 10.610 7.002 ( -0.000 -11.904 -2.086) 12.086 7.078 ( 0.000 7.093 -0.440) 7.107 7.208 ( 0.000 3.673 3.712) 5.222 7.261 ( -0.000 -7.017 -2.292) 7.382 7.607 ( -0.000 -0.872 0.130) 0.882 7.632 ( 0.000 3.567 1.102) 3.733 8.073 ( 0.000 -1.540 1.865) 2.418 8.170 ( -0.000 -7.487 -1.442) 7.624 14.061 ( 0.000 -4.076 1.941) 4.515 14.124 ( 0.000 -1.788 1.679) 2.453 15.282 ( 0.000 -3.566 1.645) 3.927 15.402 ( 0.000 1.687 0.516) 1.765 17.196 ( -0.000 -0.206 -1.383) 1.399 17.419 ( -0.000 5.050 -6.583) 8.297 17.772 ( 0.000 9.846 3.775) 10.545 17.790 ( -0.000 -4.050 -1.116) 4.201 ======================= Grid point 149 (65/90) ======================= q-point: (-0.62 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -2.774 -5.233 -5.161) 7.856 1.946 ( -2.513 -3.265 -4.777) 6.308 2.013 ( 2.197 -3.525 -11.402) 12.135 2.264 ( -5.171 -8.943 5.936) 11.914 2.381 ( 4.850 -0.569 2.283) 5.391 2.616 ( 4.837 0.751 2.088) 5.322 2.688 ( 4.937 -4.052 5.498) 8.427 2.954 ( -2.433 3.578 -0.114) 4.328 3.725 ( 0.568 -0.804 4.068) 4.186 3.998 ( 2.666 -6.997 -2.164) 7.794 4.270 ( -5.234 -5.550 3.834) 8.538 4.607 ( -0.958 -3.408 -1.839) 3.989 4.842 ( -2.246 3.588 0.202) 4.238 5.137 ( 4.373 7.791 -4.236) 9.888 5.363 ( -0.606 4.638 -0.739) 4.735 5.489 ( 1.064 -0.618 5.095) 5.241 5.745 ( 5.298 8.386 -5.809) 11.495 6.109 ( -0.435 11.521 0.846) 11.560 6.465 ( -0.401 2.550 -0.781) 2.697 6.750 ( 0.394 -11.658 -1.329) 11.740 6.981 ( 1.647 5.021 -6.627) 8.476 7.114 ( 0.674 -6.740 -1.709) 6.986 7.211 ( -2.388 7.593 1.739) 8.147 7.283 ( 1.346 2.498 3.804) 4.745 7.558 ( -2.259 -2.372 -0.485) 3.311 7.684 ( -1.395 2.964 0.488) 3.312 7.993 ( -1.255 -4.397 2.052) 5.012 8.024 ( -0.182 -5.370 0.885) 5.446 13.947 ( -2.420 -2.511 3.895) 5.228 14.136 ( 4.274 -3.317 1.878) 5.727 15.227 ( 0.292 -2.218 1.407) 2.643 15.438 ( 0.355 1.303 0.836) 1.588 17.185 ( -0.871 0.366 -1.866) 2.092 17.496 ( -0.890 3.433 -4.475) 5.710 17.705 ( -0.424 -3.441 -3.046) 4.615 17.945 ( -3.490 10.191 0.946) 10.814 ======================= Grid point 150 (66/90) ======================= q-point: (-0.62 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 6.115 -6.115 -9.476) 12.829 1.916 ( -1.601 1.601 -11.198) 11.424 2.029 ( 3.544 -3.544 10.974) 12.065 2.079 ( 3.647 -3.647 -5.490) 7.533 2.456 ( 2.278 -2.278 2.438) 4.041 2.648 ( 10.832 -10.832 5.143) 16.159 2.827 ( -6.986 6.986 1.188) 9.951 2.876 ( -1.051 1.051 0.162) 1.495 3.713 ( -0.312 0.312 0.097) 0.452 3.959 ( 5.955 -5.955 0.637) 8.446 4.146 ( 1.175 -1.175 3.835) 4.180 4.562 ( 1.576 -1.576 -1.165) 2.515 4.841 ( -3.495 3.495 0.005) 4.942 5.288 ( -3.327 3.327 0.874) 4.786 5.402 ( -5.075 5.075 -1.194) 7.275 5.503 ( 4.665 -4.665 -1.633) 6.796 5.940 ( -1.617 1.617 -0.606) 2.366 6.197 ( -5.829 5.829 -6.052) 10.227 6.502 ( -2.588 2.588 0.541) 3.699 6.612 ( 6.735 -6.735 -1.093) 9.587 7.015 ( 1.810 -1.810 -0.901) 2.713 7.101 ( 0.678 -0.678 -5.174) 5.263 7.256 ( -6.218 6.218 2.086) 9.037 7.377 ( -0.062 0.062 4.111) 4.112 7.443 ( 0.420 -0.420 -2.072) 2.155 7.700 ( -2.540 2.540 0.486) 3.625 7.926 ( 1.833 -1.833 1.749) 3.127 7.962 ( 2.796 -2.796 1.777) 4.334 13.894 ( 0.190 -0.190 4.784) 4.792 14.146 ( 4.246 -4.246 1.713) 6.245 15.207 ( 0.902 -0.902 1.280) 1.808 15.457 ( -0.364 0.364 0.874) 1.014 17.180 ( -0.831 0.831 -1.927) 2.257 17.524 ( -2.234 2.234 -1.945) 3.710 17.659 ( 1.597 -1.597 -5.237) 5.703 18.017 ( -7.805 7.805 -0.307) 11.042 ======================= Grid point 157 (67/90) ======================= q-point: (-0.41 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 -11.791 -16.084) 19.943 1.460 ( -0.000 -15.718 -13.106) 20.465 1.987 ( -0.000 1.916 -1.548) 2.463 2.202 ( -0.000 -5.176 -13.760) 14.701 2.335 ( 0.000 -9.208 8.038) 12.222 2.383 ( 0.000 -10.147 9.287) 13.755 2.876 ( 0.000 9.339 3.821) 10.090 3.078 ( 0.000 4.193 0.768) 4.263 3.861 ( -0.000 -5.143 1.579) 5.380 3.872 ( 0.000 0.398 9.268) 9.277 4.151 ( 0.000 -11.820 6.760) 13.616 4.539 ( -0.000 -3.159 0.742) 3.245 5.077 ( -0.000 10.676 -7.588) 13.098 5.124 ( 0.000 7.657 1.211) 7.752 5.371 ( -0.000 1.561 -1.443) 2.126 5.603 ( -0.000 4.768 -12.207) 13.105 5.759 ( 0.000 5.383 5.865) 7.961 6.335 ( 0.000 10.248 -2.609) 10.575 6.355 ( -0.000 -10.541 -6.039) 12.148 6.614 ( -0.000 4.569 -2.905) 5.415 6.891 ( -0.000 4.109 -7.178) 8.270 6.942 ( -0.000 -5.214 -0.817) 5.278 7.358 ( 0.000 -0.025 0.885) 0.886 7.446 ( 0.000 6.528 3.217) 7.277 7.538 ( 0.000 -1.306 0.641) 1.455 7.709 ( -0.000 -0.464 -2.948) 2.984 7.935 ( 0.000 -4.452 2.228) 4.979 7.998 ( 0.000 -7.007 9.232) 11.590 14.020 ( 0.000 -1.043 5.682) 5.777 14.125 ( 0.000 -3.272 7.450) 8.137 15.231 ( 0.000 -0.592 1.952) 2.039 15.488 ( 0.000 1.293 1.635) 2.085 17.143 ( -0.000 -0.064 -3.183) 3.184 17.418 ( -0.000 1.888 -8.197) 8.412 17.552 ( -0.000 -4.376 -5.939) 7.377 18.174 ( 0.000 8.861 -1.870) 9.056 ======================= Grid point 158 (68/90) ======================= q-point: (-0.41 -0.19 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 5.138 -5.138 -14.111) 15.872 1.347 ( 9.843 -9.843 -16.499) 21.586 2.013 ( -0.124 0.124 -3.570) 3.574 2.152 ( 1.582 -1.582 12.020) 12.226 2.164 ( 3.999 -3.999 -20.019) 20.802 2.343 ( 9.452 -9.452 8.398) 15.787 3.022 ( -4.665 4.665 2.697) 7.127 3.092 ( -3.837 3.837 3.135) 6.267 3.743 ( 0.922 -0.922 1.307) 1.846 3.929 ( 1.562 -1.562 8.868) 9.139 4.002 ( 6.912 -6.912 7.885) 12.559 4.503 ( 1.380 -1.380 1.098) 2.239 5.110 ( -7.913 7.913 -1.063) 11.241 5.330 ( 2.366 -2.366 -0.388) 3.368 5.432 ( -5.293 5.293 -5.325) 9.187 5.524 ( -5.250 5.250 -8.452) 11.250 5.989 ( 1.058 -1.058 4.711) 4.943 6.090 ( 6.883 -6.883 -6.788) 11.867 6.467 ( -3.325 3.325 -3.337) 5.766 6.680 ( -7.748 7.748 -6.664) 12.825 6.887 ( 0.973 -0.973 -0.883) 1.635 7.009 ( -1.036 1.036 -5.485) 5.678 7.352 ( 0.850 -0.850 -2.844) 3.087 7.483 ( -0.694 0.694 3.725) 3.852 7.521 ( -3.416 3.416 2.967) 5.669 7.694 ( 3.606 -3.606 -2.647) 5.746 7.885 ( 2.215 -2.215 3.168) 4.456 7.900 ( 3.993 -3.993 8.262) 10.007 14.008 ( 0.225 -0.225 7.712) 7.719 14.083 ( 3.055 -3.055 6.876) 8.120 15.228 ( -0.283 0.283 1.765) 1.810 15.502 ( -0.451 0.451 1.890) 1.995 17.146 ( -0.104 0.104 -3.236) 3.239 17.466 ( 0.379 -0.379 -6.998) 7.019 17.470 ( 0.993 -0.993 -8.414) 8.531 18.273 ( -5.714 5.714 -2.363) 8.419 ======================= Grid point 166 (69/90) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -0.000 0.000 -18.378) 18.378 0.749 ( -0.000 0.000 -18.378) 18.378 1.482 ( -0.000 0.000 -35.695) 35.695 1.906 ( -0.000 0.000 -6.282) 6.282 2.334 ( 0.000 -0.000 9.793) 9.793 2.334 ( 0.000 -0.000 9.793) 9.793 3.225 ( 0.000 -0.000 2.903) 2.903 3.225 ( 0.000 -0.000 2.903) 2.903 3.688 ( 0.000 -0.000 2.110) 2.110 4.083 ( 0.000 -0.000 12.299) 12.299 4.083 ( 0.000 -0.000 12.299) 12.299 4.495 ( 0.000 -0.000 1.154) 1.154 5.292 ( 0.000 -0.000 0.618) 0.618 5.292 ( 0.000 -0.000 0.618) 0.618 5.413 ( -0.000 0.000 -16.683) 16.683 5.413 ( -0.000 0.000 -16.683) 16.683 5.742 ( -0.000 0.000 -1.290) 1.290 6.109 ( 0.000 -0.000 10.425) 10.425 6.499 ( -0.000 0.000 -3.092) 3.092 6.746 ( 0.000 -0.000 0.697) 0.697 6.895 ( -0.000 0.000 -4.414) 4.414 7.201 ( -0.000 0.000 -5.106) 5.106 7.273 ( -0.000 0.000 -3.050) 3.050 7.273 ( -0.000 0.000 -3.050) 3.050 7.561 ( 0.000 -0.000 2.098) 2.098 7.643 ( 0.000 -0.000 2.243) 2.243 7.899 ( 0.000 -0.000 3.405) 3.405 7.899 ( 0.000 -0.000 3.405) 3.405 14.159 ( 0.000 -0.000 8.259) 8.259 14.159 ( 0.000 -0.000 8.259) 8.259 15.273 ( 0.000 -0.000 1.734) 1.734 15.556 ( 0.000 -0.000 2.406) 2.406 17.081 ( -0.000 0.000 -3.808) 3.808 17.280 ( -0.000 0.000 -8.955) 8.955 17.280 ( -0.000 0.000 -8.955) 8.955 18.367 ( -0.000 0.000 -1.949) 1.949 ======================= Grid point 170 (70/90) ======================= q-point: (-0.20 -0.20 0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.573 1.573 -10.440) 10.674 2.037 ( 2.675 2.675 6.090) 7.170 2.069 ( 6.059 6.059 -2.256) 8.860 2.217 ( -4.545 -4.545 2.570) 6.922 2.466 ( -3.850 -3.850 -4.027) 6.772 2.525 ( 0.061 0.061 5.864) 5.865 2.971 ( 2.592 2.592 -2.920) 4.686 3.039 ( 2.039 2.039 1.530) 3.264 3.372 ( -3.366 -3.366 -7.691) 9.045 3.592 ( -6.547 -6.547 8.923) 12.859 4.667 ( 2.041 2.041 -3.063) 4.209 4.772 ( 0.888 0.888 6.221) 6.347 5.226 ( 5.566 5.566 -5.926) 9.853 5.287 ( 4.247 4.247 1.612) 6.219 5.399 ( -3.473 -3.473 -11.268) 12.291 5.583 ( 0.940 0.940 -5.751) 5.903 5.629 ( 0.762 0.762 14.797) 14.836 5.714 ( -0.582 -0.582 2.490) 2.623 6.819 ( 1.825 1.825 -8.560) 8.941 6.887 ( 1.899 1.899 1.124) 2.911 6.912 ( 0.313 0.313 0.296) 0.533 7.002 ( -2.094 -2.094 6.127) 6.805 7.268 ( -0.801 -0.801 -4.138) 4.290 7.331 ( 1.627 1.627 4.195) 4.784 7.367 ( -0.330 -0.330 -3.005) 3.041 7.469 ( -3.041 -3.041 3.397) 5.480 7.967 ( -1.410 -1.410 -0.483) 2.052 7.978 ( -0.764 -0.764 0.924) 1.422 14.059 ( -0.532 -0.532 -8.866) 8.898 14.238 ( 0.298 0.298 9.836) 9.845 15.366 ( -0.245 -0.245 -1.581) 1.618 15.405 ( 0.016 0.016 2.776) 2.776 17.258 ( -0.188 -0.188 -8.867) 8.871 17.389 ( 0.222 0.222 -10.973) 10.978 17.402 ( 2.074 2.074 8.519) 9.010 17.637 ( -3.280 -3.280 8.843) 9.986 ======================= Grid point 184 (71/90) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 13.654 -0.000) 13.654 1.819 ( 0.000 17.839 -0.000) 17.839 1.965 ( 0.000 4.954 -0.000) 4.954 2.467 ( 0.000 15.677 -0.000) 15.677 2.684 ( -0.000 -9.717 0.000) 9.717 2.773 ( -0.000 -9.023 0.000) 9.023 2.784 ( -0.000 -3.879 0.000) 3.879 2.792 ( -0.000 -1.642 0.000) 1.642 3.813 ( -0.000 -11.033 0.000) 11.033 4.351 ( -0.000 -10.154 0.000) 10.154 4.364 ( 0.000 10.894 -0.000) 10.894 4.480 ( 0.000 0.919 -0.000) 0.919 4.897 ( -0.000 -6.917 0.000) 6.917 5.035 ( -0.000 -0.177 0.000) 0.177 5.121 ( 0.000 7.139 -0.000) 7.139 5.466 ( 0.000 14.231 -0.000) 14.231 5.507 ( 0.000 5.856 -0.000) 5.856 5.666 ( -0.000 -13.576 0.000) 13.576 6.458 ( -0.000 -3.571 0.000) 3.571 6.601 ( 0.000 13.467 -0.000) 13.467 6.960 ( 0.000 8.166 -0.000) 8.166 7.114 ( 0.000 2.059 -0.000) 2.059 7.243 ( -0.000 -9.974 0.000) 9.974 7.418 ( -0.000 -5.747 0.000) 5.747 7.533 ( 0.000 4.594 -0.000) 4.594 7.607 ( 0.000 0.303 -0.000) 0.303 8.071 ( 0.000 0.237 -0.000) 0.237 8.360 ( -0.000 -8.671 0.000) 8.671 14.128 ( -0.000 -4.401 0.000) 4.401 14.161 ( -0.000 -2.639 0.000) 2.639 15.347 ( -0.000 -4.434 0.000) 4.434 15.368 ( 0.000 1.317 -0.000) 1.317 17.212 ( -0.000 -0.119 0.000) 0.119 17.400 ( 0.000 5.322 -0.000) 5.322 17.496 ( 0.000 10.540 -0.000) 10.540 17.870 ( -0.000 -3.349 0.000) 3.349 ======================= Grid point 185 (72/90) ======================= q-point: ( 0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.088 9.308 -0.000) 9.309 2.082 ( -0.272 6.144 -0.000) 6.150 2.096 ( -0.940 7.381 -0.000) 7.441 2.386 ( -4.293 -5.376 0.000) 6.880 2.470 ( -7.633 -14.172 0.000) 16.097 2.585 ( 3.625 -6.750 0.000) 7.661 2.787 ( 4.915 -5.132 0.000) 7.106 2.846 ( 1.601 7.592 -0.000) 7.759 3.725 ( 4.177 -4.344 0.000) 6.027 4.215 ( 5.589 -10.393 0.000) 11.800 4.223 ( -15.283 5.211 -0.000) 16.147 4.724 ( -2.880 -4.430 0.000) 5.284 4.764 ( 7.621 3.048 0.000) 8.208 5.088 ( 1.270 3.320 -0.000) 3.555 5.252 ( -1.389 4.978 -0.000) 5.168 5.469 ( 4.057 -4.416 0.000) 5.997 5.678 ( 3.481 6.974 -0.000) 7.794 5.811 ( 4.019 13.410 -0.000) 13.999 6.448 ( 2.670 -1.234 0.000) 2.941 6.834 ( -2.517 9.796 -0.000) 10.114 7.031 ( 0.501 -8.714 0.000) 8.728 7.088 ( -1.989 5.371 -0.000) 5.728 7.186 ( 3.819 1.272 0.000) 4.025 7.279 ( -0.551 -6.715 0.000) 6.737 7.563 ( -2.929 2.489 -0.000) 3.844 7.634 ( 0.118 0.667 -0.000) 0.678 8.037 ( -1.699 -2.008 0.000) 2.630 8.156 ( -2.688 -7.447 0.000) 7.917 13.968 ( -4.060 -3.207 -0.000) 5.174 14.195 ( 5.666 -3.549 0.000) 6.686 15.272 ( 0.558 -3.606 0.000) 3.649 15.405 ( 0.865 1.181 -0.000) 1.464 17.196 ( -1.555 0.558 -0.000) 1.652 17.457 ( -3.807 4.684 -0.000) 6.036 17.710 ( -1.119 10.672 -0.000) 10.730 17.803 ( 0.204 -3.394 0.000) 3.400 ======================= Grid point 186 (73/90) ======================= q-point: (-0.78 -0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.545 5.866 -0.000) 5.891 1.960 ( -0.093 -8.204 0.000) 8.204 2.027 ( -3.588 -8.913 0.000) 9.608 2.230 ( -0.253 1.681 -0.000) 1.700 2.440 ( 4.076 -1.308 0.000) 4.281 2.615 ( 0.368 7.401 -0.000) 7.410 2.784 ( 6.544 -6.586 0.000) 9.284 2.900 ( -2.441 -0.828 -0.000) 2.578 3.725 ( 1.274 -1.578 0.000) 2.028 4.064 ( -10.354 5.733 -0.000) 11.835 4.140 ( 9.087 -11.159 0.000) 14.391 4.627 ( 0.256 -2.655 0.000) 2.668 4.825 ( 1.391 -2.425 0.000) 2.795 5.196 ( 0.543 3.774 -0.000) 3.812 5.293 ( -4.601 6.004 -0.000) 7.564 5.587 ( 7.769 -1.567 0.000) 7.925 5.872 ( 1.211 5.546 -0.000) 5.677 6.105 ( 0.106 9.316 -0.000) 9.317 6.471 ( 1.227 -0.987 0.000) 1.575 6.767 ( 0.531 -6.794 0.000) 6.814 7.036 ( -1.310 2.813 -0.000) 3.103 7.105 ( -3.976 4.245 -0.000) 5.816 7.184 ( 0.572 -2.346 0.000) 2.415 7.309 ( 5.337 1.106 0.000) 5.450 7.507 ( -2.805 -2.292 -0.000) 3.622 7.632 ( -3.522 3.231 -0.000) 4.780 7.954 ( -0.594 -2.339 0.000) 2.414 8.010 ( -0.503 -3.313 0.000) 3.351 13.864 ( -1.364 -1.435 0.000) 1.980 14.226 ( 5.345 -4.484 0.000) 6.977 15.226 ( 1.096 -2.358 0.000) 2.600 15.440 ( 0.463 0.591 -0.000) 0.751 17.181 ( -1.645 1.258 -0.000) 2.071 17.459 ( -4.737 4.574 -0.000) 6.585 17.751 ( 0.851 -2.415 0.000) 2.560 17.849 ( -5.012 8.765 -0.000) 10.096 ======================= Grid point 195 (74/90) ======================= q-point: (-0.57 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 0.000 3.188 2.422) 4.004 1.917 ( -0.000 -7.174 -14.544) 16.217 2.030 ( -0.000 -13.278 -12.153) 18.000 2.285 ( 0.000 5.366 2.354) 5.859 2.431 ( 0.000 -12.539 6.092) 13.940 2.459 ( 0.000 -10.937 3.863) 11.599 2.658 ( 0.000 4.728 5.218) 7.042 2.980 ( 0.000 5.645 -0.128) 5.646 3.717 ( 0.000 0.279 5.842) 5.849 3.976 ( -0.000 -6.255 -2.313) 6.669 4.320 ( -0.000 -11.810 2.967) 12.176 4.620 ( -0.000 -4.972 -0.576) 5.005 4.899 ( 0.000 11.282 2.120) 11.479 5.063 ( -0.000 7.432 -9.982) 12.445 5.348 ( 0.000 0.187 1.062) 1.078 5.512 ( 0.000 4.706 8.566) 9.774 5.673 ( -0.000 7.378 -8.447) 11.215 6.108 ( 0.000 13.226 1.753) 13.341 6.476 ( 0.000 4.986 -1.521) 5.213 6.748 ( -0.000 -13.130 -1.674) 13.236 6.958 ( -0.000 5.136 -8.133) 9.620 7.110 ( -0.000 -7.721 -1.849) 7.939 7.228 ( 0.000 7.157 3.194) 7.838 7.277 ( 0.000 3.610 3.408) 4.964 7.581 ( -0.000 -1.762 -0.453) 1.819 7.697 ( 0.000 2.821 0.583) 2.881 8.010 ( 0.000 -4.840 2.715) 5.550 8.023 ( -0.000 -6.924 0.424) 6.937 13.986 ( 0.000 -3.256 2.559) 4.141 14.077 ( 0.000 -3.043 3.760) 4.837 15.225 ( 0.000 -2.048 1.397) 2.479 15.434 ( 0.000 1.457 0.957) 1.743 17.194 ( -0.000 0.068 -2.003) 2.004 17.504 ( -0.000 3.354 -6.107) 6.967 17.711 ( -0.000 -3.754 -2.223) 4.363 17.981 ( 0.000 10.842 1.208) 10.909 ======================= Grid point 196 (75/90) ======================= q-point: (-0.57 -0.23 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -1.695 -11.245 -10.796) 15.680 1.866 ( 7.158 -9.512 -16.155) 20.068 1.977 ( 0.333 -0.520 5.551) 5.586 2.075 ( -3.226 -6.231 4.998) 8.614 2.402 ( 9.253 -8.499 8.439) 15.135 2.427 ( 4.004 -1.358 -4.287) 6.021 2.829 ( 1.066 9.270 1.892) 9.521 3.005 ( -5.775 1.750 0.567) 6.061 3.724 ( -0.673 0.211 2.511) 2.609 3.880 ( 2.269 -4.510 0.398) 5.064 4.090 ( 3.134 -10.846 3.642) 11.862 4.537 ( 0.878 -3.237 0.020) 3.355 4.968 ( -8.097 7.696 -0.691) 11.193 5.304 ( 3.032 8.105 -3.658) 9.395 5.403 ( 3.043 0.016 0.214) 3.051 5.522 ( -6.116 2.962 2.072) 7.104 5.893 ( 5.416 5.890 -2.400) 8.353 6.306 ( -4.622 6.016 -3.406) 8.316 6.493 ( 3.576 -6.602 -2.291) 7.850 6.603 ( -5.146 5.855 -1.472) 7.933 6.977 ( 1.412 -5.467 -0.891) 5.716 7.075 ( 2.300 3.308 -7.018) 8.092 7.331 ( 2.308 2.520 3.907) 5.190 7.359 ( -3.470 6.514 2.110) 7.676 7.494 ( -3.367 -3.875 -0.334) 5.145 7.735 ( -0.940 1.974 0.185) 2.194 7.898 ( 1.444 -4.930 2.494) 5.710 7.909 ( 1.801 -6.037 1.915) 6.584 13.905 ( -1.309 -1.543 4.342) 4.790 14.058 ( 4.184 -4.267 3.510) 6.931 15.200 ( -0.040 -0.507 1.152) 1.259 15.460 ( 0.013 0.848 1.081) 1.374 17.193 ( -0.469 0.428 -2.201) 2.291 17.550 ( -0.502 1.960 -4.182) 4.646 17.642 ( 0.171 -2.751 -4.181) 5.008 18.147 ( -4.750 9.449 -0.559) 10.591 ======================= Grid point 204 (76/90) ======================= q-point: (-0.36 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.000 -9.721 -15.956) 18.684 1.189 ( -0.000 -10.334 -14.948) 18.172 2.013 ( -0.000 0.805 -3.738) 3.823 2.121 ( -0.000 -2.572 -21.034) 21.190 2.181 ( 0.000 -5.740 10.484) 11.952 2.202 ( 0.000 -7.091 7.835) 10.567 3.063 ( 0.000 8.517 3.661) 9.271 3.143 ( 0.000 2.284 2.295) 3.238 3.737 ( -0.000 -6.825 1.181) 6.927 3.881 ( 0.000 0.366 8.677) 8.684 3.954 ( 0.000 -6.933 8.865) 11.254 4.488 ( 0.000 -1.781 1.276) 2.191 5.241 ( 0.000 3.905 0.716) 3.970 5.248 ( -0.000 4.412 -1.480) 4.653 5.471 ( -0.000 10.111 -6.619) 12.085 5.679 ( -0.000 2.679 -13.424) 13.689 5.828 ( 0.000 1.412 6.318) 6.474 6.082 ( -0.000 -14.800 -1.523) 14.878 6.503 ( -0.000 6.077 -3.395) 6.961 6.761 ( -0.000 2.654 -4.798) 5.484 6.951 ( 0.000 11.490 -2.810) 11.829 6.965 ( -0.000 3.007 -6.468) 7.133 7.342 ( -0.000 -1.280 -1.334) 1.849 7.510 ( 0.000 -0.464 2.981) 3.017 7.557 ( 0.000 3.392 2.830) 4.417 7.620 ( -0.000 -10.509 -2.056) 10.708 7.861 ( 0.000 -2.715 3.046) 4.081 7.865 ( 0.000 -4.163 6.769) 7.947 14.006 ( 0.000 -0.368 7.030) 7.039 14.047 ( 0.000 -3.812 8.010) 8.871 15.233 ( 0.000 0.474 1.699) 1.764 15.506 ( 0.000 0.595 1.982) 2.069 17.148 ( -0.000 0.411 -3.593) 3.617 17.443 ( -0.000 0.676 -8.242) 8.270 17.478 ( -0.000 -2.765 -7.464) 7.959 18.335 ( -0.000 6.456 -2.310) 6.856 ======================= Grid point 231 (77/90) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 9.766 -0.000) 9.766 2.084 ( 0.000 6.958 -0.000) 6.958 2.109 ( 0.000 9.171 -0.000) 9.171 2.454 ( -0.000 -11.786 0.000) 11.786 2.525 ( -0.000 -4.385 0.000) 4.385 2.612 ( -0.000 -12.652 0.000) 12.652 2.676 ( -0.000 -9.999 0.000) 9.999 2.828 ( 0.000 9.590 -0.000) 9.590 3.675 ( -0.000 -3.072 0.000) 3.072 4.160 ( -0.000 -8.584 0.000) 8.584 4.455 ( -0.000 -4.333 0.000) 4.333 4.611 ( 0.000 13.282 -0.000) 13.282 4.757 ( -0.000 -6.875 0.000) 6.875 5.079 ( 0.000 4.502 -0.000) 4.502 5.263 ( 0.000 7.057 -0.000) 7.057 5.430 ( -0.000 -9.112 0.000) 9.112 5.635 ( 0.000 6.654 -0.000) 6.654 5.768 ( 0.000 15.485 -0.000) 15.485 6.422 ( 0.000 0.402 -0.000) 0.402 6.862 ( 0.000 12.094 -0.000) 12.094 7.023 ( -0.000 -11.923 0.000) 11.923 7.111 ( 0.000 6.805 -0.000) 6.805 7.146 ( 0.000 1.198 -0.000) 1.198 7.285 ( -0.000 -7.301 0.000) 7.301 7.606 ( -0.000 -0.470 0.000) 0.470 7.619 ( 0.000 3.891 -0.000) 3.891 8.056 ( -0.000 -1.934 0.000) 1.934 8.184 ( -0.000 -8.626 0.000) 8.626 14.040 ( -0.000 -4.228 0.000) 4.228 14.106 ( -0.000 -2.923 0.000) 2.923 15.266 ( -0.000 -3.479 0.000) 3.479 15.396 ( 0.000 1.423 -0.000) 1.423 17.212 ( 0.000 0.080 -0.000) 0.080 17.497 ( 0.000 4.253 -0.000) 4.253 17.722 ( 0.000 11.802 -0.000) 11.802 17.800 ( -0.000 -3.489 0.000) 3.489 ======================= Grid point 232 (78/90) ======================= q-point: (-0.72 -0.28 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -0.284 3.256 -0.000) 3.268 2.014 ( -4.875 -9.476 0.000) 10.657 2.163 ( -8.732 -9.584 0.000) 12.966 2.229 ( 0.227 3.050 -0.000) 3.059 2.317 ( 7.290 -8.172 0.000) 10.951 2.599 ( 0.998 9.395 -0.000) 9.448 2.609 ( 10.504 -11.621 0.000) 15.665 2.956 ( -2.408 3.504 -0.000) 4.251 3.685 ( 2.234 -0.167 0.000) 2.240 4.027 ( 2.624 -8.132 0.000) 8.545 4.232 ( -5.823 -5.153 -0.000) 7.776 4.626 ( -0.056 -4.934 0.000) 4.934 4.835 ( -2.329 5.288 -0.000) 5.778 5.199 ( -0.683 7.180 -0.000) 7.213 5.364 ( -1.513 5.528 -0.000) 5.732 5.420 ( 7.105 -0.553 0.000) 7.126 5.814 ( 3.649 6.327 -0.000) 7.304 6.090 ( 1.035 13.611 -0.000) 13.650 6.476 ( -1.129 4.224 -0.000) 4.372 6.763 ( -0.143 -11.884 0.000) 11.885 7.060 ( -1.001 5.305 -0.000) 5.399 7.135 ( 0.309 -4.233 0.000) 4.244 7.210 ( 4.047 1.361 0.000) 4.270 7.214 ( -2.536 5.231 -0.000) 5.813 7.562 ( -2.231 -1.967 -0.000) 2.974 7.677 ( -1.168 2.853 -0.000) 3.083 7.973 ( -1.109 -4.388 0.000) 4.526 8.018 ( -0.219 -6.237 0.000) 6.241 13.908 ( -2.990 -2.721 -0.000) 4.043 14.116 ( 5.381 -4.311 0.000) 6.894 15.213 ( 0.284 -2.081 0.000) 2.100 15.430 ( 0.468 1.145 -0.000) 1.237 17.207 ( -0.862 0.518 -0.000) 1.005 17.538 ( -2.883 3.334 -0.000) 4.408 17.738 ( 0.507 -3.033 0.000) 3.075 17.934 ( -3.100 11.311 -0.000) 11.728 ======================= Grid point 234 (79/90) ======================= q-point: ( 0.28 0.72 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 6.049 -6.049 0.000) 8.554 1.841 ( 3.190 -3.190 0.000) 4.512 1.994 ( -3.844 3.844 -0.000) 5.436 2.283 ( -1.984 1.984 -0.000) 2.805 2.304 ( 8.960 -8.960 0.000) 12.671 2.602 ( 10.360 -10.360 0.000) 14.651 2.815 ( -7.034 7.034 -0.000) 9.947 2.875 ( -0.731 0.731 -0.000) 1.033 3.712 ( 0.296 -0.296 0.000) 0.419 3.961 ( 6.311 -6.311 0.000) 8.924 4.108 ( 1.213 -1.213 0.000) 1.715 4.574 ( 2.395 -2.395 0.000) 3.386 4.840 ( -4.303 4.303 -0.000) 6.086 5.279 ( -4.265 4.265 -0.000) 6.031 5.408 ( -4.872 4.872 -0.000) 6.890 5.520 ( 5.084 -5.084 0.000) 7.189 5.943 ( -1.213 1.213 -0.000) 1.715 6.264 ( -6.000 6.000 -0.000) 8.485 6.501 ( -4.056 4.056 -0.000) 5.737 6.615 ( 6.942 -6.942 0.000) 9.818 7.023 ( 2.277 -2.277 0.000) 3.220 7.169 ( -0.873 0.873 -0.000) 1.234 7.237 ( -6.272 6.272 -0.000) 8.871 7.320 ( 1.080 -1.080 0.000) 1.527 7.464 ( 0.620 -0.620 0.000) 0.876 7.694 ( -2.556 2.556 -0.000) 3.614 7.909 ( 1.966 -1.966 0.000) 2.780 7.947 ( 3.027 -3.027 0.000) 4.281 13.847 ( 0.103 -0.103 0.000) 0.146 14.128 ( 5.224 -5.224 0.000) 7.388 15.195 ( 0.823 -0.823 0.000) 1.165 15.448 ( -0.232 0.232 -0.000) 0.328 17.203 ( -0.884 0.884 -0.000) 1.250 17.539 ( -3.295 3.295 -0.000) 4.660 17.710 ( 1.695 -1.695 0.000) 2.397 18.021 ( -7.906 7.906 -0.000) 11.181 ======================= Grid point 243 (80/90) ======================= q-point: (-0.51 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -0.000 -13.986 -10.606) 17.553 1.710 ( -0.000 -12.327 -14.443) 18.988 1.983 ( 0.000 0.509 1.744) 1.817 2.185 ( 0.000 -13.084 10.531) 16.796 2.203 ( 0.000 -8.972 5.485) 10.515 2.409 ( -0.000 5.665 -7.086) 9.073 2.818 ( 0.000 9.407 2.508) 9.736 3.065 ( 0.000 3.005 0.481) 3.043 3.734 ( 0.000 1.101 5.098) 5.215 3.857 ( -0.000 -5.718 -1.034) 5.810 4.054 ( -0.000 -13.660 3.463) 14.093 4.528 ( -0.000 -3.914 0.400) 3.934 5.102 ( 0.000 8.435 0.936) 8.487 5.210 ( -0.000 5.625 -6.004) 8.227 5.383 ( 0.000 4.909 -0.374) 4.923 5.613 ( 0.000 4.323 8.233) 9.299 5.803 ( -0.000 5.505 -8.207) 9.883 6.363 ( 0.000 11.641 -0.327) 11.646 6.447 ( -0.000 -13.762 -3.620) 14.230 6.673 ( 0.000 11.440 -2.573) 11.725 6.963 ( -0.000 -6.456 -1.125) 6.553 7.038 ( -0.000 3.262 -8.024) 8.662 7.306 ( 0.000 1.780 4.729) 5.053 7.396 ( 0.000 6.571 1.827) 6.820 7.535 ( -0.000 -2.896 -0.196) 2.902 7.743 ( 0.000 1.580 -0.154) 1.588 7.873 ( 0.000 -8.777 3.484) 9.443 7.898 ( -0.000 -5.372 1.532) 5.587 13.931 ( 0.000 -2.220 3.389) 4.051 14.002 ( 0.000 -4.196 4.868) 6.427 15.202 ( 0.000 -0.303 1.112) 1.153 15.460 ( 0.000 1.047 1.141) 1.549 17.198 ( -0.000 0.300 -2.273) 2.292 17.553 ( -0.000 1.591 -5.419) 5.648 17.642 ( -0.000 -3.009 -3.349) 4.502 18.197 ( 0.000 10.122 -0.609) 10.140 ======================= Grid point 244 (81/90) ======================= q-point: (-0.51 -0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 3.839 -3.839 -12.143) 13.301 1.645 ( 11.253 -11.253 -14.423) 21.477 1.919 ( 1.901 -1.901 11.954) 12.252 2.034 ( 1.862 -1.862 2.594) 3.696 2.177 ( 8.290 -8.290 5.959) 13.151 2.483 ( -2.572 2.572 -11.083) 11.664 2.981 ( -4.146 4.146 1.459) 6.042 3.047 ( -3.654 3.654 1.602) 5.410 3.722 ( 0.297 -0.297 0.863) 0.960 3.817 ( 2.308 -2.308 3.067) 4.478 3.885 ( 8.137 -8.137 4.208) 12.253 4.485 ( 1.778 -1.778 0.671) 2.603 5.120 ( -7.010 7.010 -0.164) 9.915 5.336 ( 3.109 -3.109 -0.261) 4.405 5.505 ( -7.147 7.147 -2.440) 10.397 5.578 ( -3.627 3.627 1.947) 5.486 5.954 ( 0.816 -0.816 -1.329) 1.760 6.222 ( 7.509 -7.509 -6.221) 12.307 6.511 ( -4.299 4.299 -1.113) 6.180 6.790 ( -8.807 8.807 -4.606) 13.280 6.898 ( 0.619 -0.619 -0.010) 0.875 7.124 ( -0.840 0.840 -6.357) 6.467 7.393 ( 1.254 -1.254 -1.495) 2.319 7.394 ( -0.536 0.536 5.441) 5.493 7.472 ( -3.358 3.358 2.121) 5.201 7.737 ( 5.256 -5.256 -1.433) 7.570 7.781 ( 1.713 -1.713 4.024) 4.697 7.834 ( 2.223 -2.223 1.952) 3.701 13.888 ( 0.095 -0.095 4.498) 4.500 13.973 ( 3.843 -3.843 4.224) 6.883 15.201 ( -0.374 0.374 1.032) 1.160 15.472 ( -0.358 0.358 1.151) 1.257 17.201 ( -0.318 0.318 -2.230) 2.275 17.574 ( -0.362 0.362 -4.110) 4.142 17.600 ( 1.154 -1.154 -4.902) 5.167 18.306 ( -5.895 5.895 -1.129) 8.413 ======================= Grid point 252 (82/90) ======================= q-point: (-0.30 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.000 0.000 -16.058) 16.058 1.079 ( -0.000 0.000 -16.058) 16.058 2.022 ( -0.000 0.000 -5.504) 5.504 2.104 ( -0.000 0.000 -28.879) 28.879 2.119 ( 0.000 -0.000 12.364) 12.364 2.119 ( 0.000 -0.000 12.364) 12.364 3.167 ( 0.000 -0.000 2.975) 2.975 3.167 ( 0.000 -0.000 2.975) 2.975 3.646 ( 0.000 -0.000 2.073) 2.073 3.885 ( 0.000 -0.000 8.455) 8.455 3.885 ( 0.000 -0.000 8.455) 8.455 4.470 ( 0.000 -0.000 1.377) 1.377 5.281 ( 0.000 -0.000 0.588) 0.588 5.281 ( 0.000 -0.000 0.588) 0.588 5.707 ( -0.000 0.000 -13.774) 13.774 5.707 ( -0.000 0.000 -13.774) 13.774 5.767 ( -0.000 0.000 -1.246) 1.246 5.883 ( 0.000 -0.000 12.453) 12.453 6.566 ( -0.000 0.000 -3.765) 3.765 6.761 ( -0.000 0.000 -1.774) 1.774 6.998 ( -0.000 0.000 -6.320) 6.320 7.278 ( -0.000 0.000 -2.989) 2.989 7.325 ( -0.000 0.000 -2.066) 2.066 7.325 ( -0.000 0.000 -2.066) 2.066 7.504 ( 0.000 -0.000 3.934) 3.934 7.594 ( 0.000 -0.000 2.755) 2.755 7.833 ( 0.000 -0.000 3.250) 3.250 7.833 ( 0.000 -0.000 3.250) 3.250 14.003 ( 0.000 -0.000 7.548) 7.548 14.003 ( 0.000 -0.000 7.548) 7.548 15.239 ( 0.000 -0.000 1.689) 1.689 15.512 ( 0.000 -0.000 2.072) 2.072 17.153 ( -0.000 0.000 -3.531) 3.531 17.449 ( -0.000 0.000 -8.202) 8.202 17.449 ( -0.000 0.000 -8.202) 8.202 18.405 ( -0.000 0.000 -1.907) 1.907 ======================= Grid point 279 (83/90) ======================= q-point: (-0.67 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 3.860 -0.000) 3.860 2.111 ( -0.000 -7.046 0.000) 7.046 2.196 ( -0.000 -12.997 0.000) 12.997 2.226 ( 0.000 4.103 -0.000) 4.103 2.327 ( -0.000 -13.898 0.000) 13.898 2.422 ( -0.000 -11.719 0.000) 11.719 2.587 ( 0.000 8.891 -0.000) 8.891 2.982 ( 0.000 5.547 -0.000) 5.547 3.659 ( 0.000 0.725 -0.000) 0.725 4.005 ( -0.000 -6.940 0.000) 6.940 4.290 ( -0.000 -11.660 0.000) 11.660 4.627 ( -0.000 -5.916 0.000) 5.916 4.876 ( 0.000 12.434 -0.000) 12.434 5.210 ( 0.000 8.259 -0.000) 8.259 5.308 ( -0.000 -3.156 0.000) 3.156 5.402 ( 0.000 6.257 -0.000) 6.257 5.769 ( 0.000 6.475 -0.000) 6.475 6.077 ( 0.000 15.044 -0.000) 15.044 6.491 ( 0.000 6.846 -0.000) 6.846 6.766 ( -0.000 -13.520 0.000) 13.520 7.071 ( 0.000 8.204 -0.000) 8.204 7.130 ( -0.000 -7.970 0.000) 7.970 7.166 ( 0.000 0.934 -0.000) 0.934 7.242 ( 0.000 6.608 -0.000) 6.608 7.586 ( -0.000 -1.566 0.000) 1.566 7.687 ( 0.000 2.900 -0.000) 2.900 7.987 ( -0.000 -5.015 0.000) 5.015 8.019 ( -0.000 -7.689 0.000) 7.689 13.961 ( -0.000 -3.599 0.000) 3.599 14.039 ( -0.000 -3.864 0.000) 3.864 15.211 ( -0.000 -1.876 0.000) 1.876 15.424 ( 0.000 1.328 -0.000) 1.328 17.215 ( 0.000 0.247 -0.000) 0.247 17.568 ( 0.000 2.734 -0.000) 2.734 17.732 ( -0.000 -3.195 0.000) 3.195 17.966 ( 0.000 12.247 -0.000) 12.247 ======================= Grid point 281 (84/90) ======================= q-point: (-0.67 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.261 -9.645 0.000) 9.727 1.837 ( -2.717 -7.228 0.000) 7.722 2.041 ( -0.087 -2.402 0.000) 2.403 2.115 ( 9.429 -10.718 0.000) 14.275 2.232 ( 7.421 -8.740 0.000) 11.466 2.473 ( 0.850 3.287 -0.000) 3.395 2.809 ( 1.791 10.064 -0.000) 10.222 3.000 ( -5.797 1.192 -0.000) 5.919 3.697 ( 1.054 1.048 0.000) 1.487 3.886 ( 1.559 -5.941 0.000) 6.142 4.054 ( 3.029 -10.902 0.000) 11.315 4.537 ( 1.270 -3.760 0.000) 3.968 4.973 ( -7.974 7.645 -0.000) 11.047 5.360 ( -3.486 8.544 -0.000) 9.228 5.388 ( 7.379 -1.469 0.000) 7.524 5.483 ( -2.345 4.199 -0.000) 4.809 5.923 ( 2.497 4.364 -0.000) 5.028 6.342 ( -2.089 11.085 -0.000) 11.280 6.513 ( 3.095 -12.414 0.000) 12.794 6.618 ( -6.491 9.631 -0.000) 11.614 6.986 ( 1.170 -5.850 0.000) 5.966 7.181 ( -0.360 2.965 -0.000) 2.986 7.251 ( 4.678 2.880 0.000) 5.493 7.341 ( -3.681 6.415 -0.000) 7.396 7.499 ( -3.012 -4.228 0.000) 5.191 7.728 ( -0.815 2.005 -0.000) 2.164 7.876 ( 1.744 -5.071 0.000) 5.363 7.893 ( 1.660 -6.145 0.000) 6.366 13.863 ( -1.651 -1.693 0.000) 2.365 14.023 ( 4.922 -4.795 0.000) 6.872 15.189 ( -0.077 -0.411 0.000) 0.418 15.449 ( 0.066 0.797 -0.000) 0.800 17.216 ( -0.459 0.438 -0.000) 0.635 17.590 ( -1.717 1.850 -0.000) 2.524 17.684 ( 0.887 -2.278 0.000) 2.445 18.152 ( -4.772 9.979 -0.000) 11.062 ======================= Grid point 292 (85/90) ======================= q-point: (-0.46 -0.34 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -0.000 -8.983 -12.565) 15.446 1.470 ( -0.000 -10.128 -13.673) 17.016 1.931 ( 0.000 -4.344 10.613) 11.468 1.964 ( 0.000 -8.078 12.048) 14.506 2.111 ( -0.000 -1.043 -1.763) 2.048 2.510 ( -0.000 3.902 -14.148) 14.676 3.009 ( 0.000 8.899 1.994) 9.119 3.107 ( 0.000 1.295 1.391) 1.901 3.728 ( -0.000 -7.980 -0.352) 7.988 3.754 ( 0.000 0.783 4.561) 4.628 3.824 ( 0.000 -7.184 4.878) 8.684 4.467 ( 0.000 -2.050 0.835) 2.213 5.230 ( 0.000 4.185 0.464) 4.211 5.265 ( -0.000 0.853 -0.463) 0.971 5.557 ( 0.000 10.690 -2.278) 10.930 5.678 ( 0.000 2.634 6.942) 7.425 5.890 ( -0.000 3.015 -8.174) 8.713 6.154 ( -0.000 -14.610 -4.170) 15.193 6.557 ( 0.000 7.141 -2.003) 7.417 6.831 ( -0.000 -2.564 -2.633) 3.675 6.994 ( 0.000 15.425 -1.460) 15.494 7.098 ( -0.000 2.639 -7.302) 7.764 7.332 ( 0.000 0.989 2.978) 3.138 7.459 ( 0.000 -3.179 1.700) 3.605 7.509 ( 0.000 3.246 2.104) 3.868 7.638 ( -0.000 -13.172 0.326) 13.176 7.778 ( 0.000 0.562 2.198) 2.269 7.814 ( 0.000 -2.847 1.754) 3.344 13.897 ( 0.000 -1.114 4.108) 4.257 13.922 ( 0.000 -3.304 4.728) 5.769 15.206 ( 0.000 0.512 1.019) 1.140 15.476 ( 0.000 0.540 1.155) 1.275 17.205 ( -0.000 0.295 -2.185) 2.205 17.572 ( -0.000 0.426 -4.940) 4.958 17.594 ( -0.000 -1.726 -4.345) 4.675 18.368 ( 0.000 6.383 -1.175) 6.490 ======================= Grid point 328 (86/90) ======================= q-point: (-0.61 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.000 -8.311 0.000) 8.311 1.933 ( -0.000 -9.282 0.000) 9.282 1.950 ( -0.000 -10.989 0.000) 10.989 1.999 ( -0.000 -17.752 0.000) 17.752 2.144 ( -0.000 -3.140 0.000) 3.140 2.480 ( 0.000 9.149 -0.000) 9.149 2.789 ( 0.000 10.331 -0.000) 10.331 3.060 ( 0.000 2.552 -0.000) 2.552 3.684 ( 0.000 1.459 -0.000) 1.459 3.875 ( -0.000 -6.086 0.000) 6.086 4.019 ( -0.000 -14.370 0.000) 14.370 4.524 ( -0.000 -4.239 0.000) 4.239 5.093 ( 0.000 8.818 -0.000) 8.818 5.275 ( -0.000 -0.669 0.000) 0.669 5.400 ( 0.000 10.448 -0.000) 10.448 5.506 ( 0.000 3.928 -0.000) 3.928 5.888 ( 0.000 5.218 -0.000) 5.218 6.361 ( 0.000 12.830 -0.000) 12.830 6.484 ( -0.000 -14.347 0.000) 14.347 6.699 ( 0.000 13.416 -0.000) 13.416 6.975 ( -0.000 -7.095 0.000) 7.095 7.185 ( 0.000 3.467 -0.000) 3.467 7.190 ( 0.000 1.663 -0.000) 1.663 7.379 ( 0.000 6.518 -0.000) 6.518 7.538 ( -0.000 -3.375 0.000) 3.375 7.734 ( 0.000 1.649 -0.000) 1.649 7.850 ( -0.000 -8.685 0.000) 8.685 7.882 ( -0.000 -5.687 0.000) 5.687 13.898 ( -0.000 -2.614 0.000) 2.614 13.954 ( -0.000 -4.353 0.000) 4.353 15.191 ( -0.000 -0.212 0.000) 0.212 15.448 ( 0.000 1.028 -0.000) 1.028 17.221 ( 0.000 0.295 -0.000) 0.295 17.607 ( 0.000 1.208 -0.000) 1.208 17.675 ( -0.000 -2.456 0.000) 2.456 18.202 ( 0.000 10.748 -0.000) 10.748 ======================= Grid point 330 (87/90) ======================= q-point: ( 0.39 0.61 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.615 -3.615 0.000) 5.113 1.743 ( 1.794 -1.794 0.000) 2.537 1.869 ( 12.790 -12.790 0.000) 18.088 1.911 ( 9.070 -9.070 0.000) 12.827 2.133 ( 0.596 -0.596 0.000) 0.843 2.589 ( -5.476 5.476 -0.000) 7.745 2.967 ( -3.903 3.903 -0.000) 5.520 3.032 ( -3.561 3.561 -0.000) 5.036 3.713 ( -0.237 0.237 -0.000) 0.335 3.793 ( 3.047 -3.047 0.000) 4.309 3.845 ( 8.852 -8.852 0.000) 12.519 4.479 ( 1.956 -1.956 0.000) 2.767 5.121 ( -6.781 6.781 -0.000) 9.590 5.339 ( 3.395 -3.395 0.000) 4.801 5.528 ( -7.621 7.621 -0.000) 10.778 5.543 ( -1.861 1.861 -0.000) 2.631 5.979 ( -0.836 0.836 -0.000) 1.182 6.290 ( 8.775 -8.775 0.000) 12.410 6.517 ( -5.920 5.920 -0.000) 8.372 6.842 ( -11.724 11.724 -0.000) 16.580 6.891 ( 3.324 -3.324 0.000) 4.701 7.219 ( -1.007 1.007 -0.000) 1.424 7.309 ( -0.252 0.252 -0.000) 0.356 7.410 ( 2.055 -2.055 0.000) 2.906 7.447 ( -3.767 3.767 -0.000) 5.327 7.732 ( 6.497 -6.497 0.000) 9.188 7.761 ( 0.378 -0.378 0.000) 0.535 7.816 ( 2.124 -2.124 0.000) 3.004 13.844 ( 0.045 -0.045 0.000) 0.063 13.932 ( 4.040 -4.040 0.000) 5.714 15.191 ( -0.392 0.392 -0.000) 0.555 15.461 ( -0.357 0.357 -0.000) 0.505 17.224 ( -0.258 0.258 -0.000) 0.364 17.614 ( -0.679 0.679 -0.000) 0.960 17.648 ( 1.214 -1.214 0.000) 1.717 18.317 ( -5.995 5.995 -0.000) 8.478 ======================= Grid point 342 (88/90) ======================= q-point: (-0.40 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -0.000 0.000 -13.219) 13.219 1.359 ( -0.000 0.000 -13.219) 13.219 1.880 ( 0.000 -0.000 12.300) 12.300 1.880 ( 0.000 -0.000 12.300) 12.300 2.105 ( -0.000 0.000 -3.067) 3.067 2.552 ( -0.000 0.000 -17.141) 17.141 3.120 ( 0.000 -0.000 1.801) 1.801 3.120 ( 0.000 -0.000 1.801) 1.801 3.613 ( 0.000 -0.000 1.264) 1.264 3.762 ( 0.000 -0.000 4.371) 4.371 3.762 ( 0.000 -0.000 4.371) 4.371 4.446 ( 0.000 -0.000 0.956) 0.956 5.271 ( 0.000 -0.000 0.344) 0.344 5.271 ( 0.000 -0.000 0.344) 0.344 5.669 ( 0.000 -0.000 8.952) 8.952 5.787 ( -0.000 0.000 -0.749) 0.749 5.921 ( -0.000 0.000 -8.184) 8.184 5.921 ( -0.000 0.000 -8.184) 8.184 6.632 ( -0.000 0.000 -2.766) 2.766 6.797 ( -0.000 0.000 -1.604) 1.604 7.130 ( -0.000 0.000 -7.200) 7.200 7.318 ( -0.000 0.000 -1.261) 1.261 7.346 ( -0.000 0.000 -0.271) 0.271 7.346 ( -0.000 0.000 -0.271) 0.271 7.411 ( 0.000 -0.000 5.692) 5.692 7.545 ( 0.000 -0.000 2.067) 2.067 7.785 ( 0.000 -0.000 1.609) 1.609 7.785 ( 0.000 -0.000 1.609) 1.609 13.886 ( 0.000 -0.000 4.393) 4.393 13.886 ( 0.000 -0.000 4.393) 4.393 15.213 ( 0.000 -0.000 1.023) 1.023 15.481 ( 0.000 -0.000 1.138) 1.138 17.208 ( -0.000 0.000 -2.069) 2.069 17.576 ( -0.000 0.000 -4.775) 4.775 17.576 ( -0.000 0.000 -4.775) 4.775 18.435 ( -0.000 0.000 -1.158) 1.158 ======================= Grid point 380 (89/90) ======================= q-point: (-0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.000 -8.044 0.000) 8.044 1.678 ( -0.000 -12.679 0.000) 12.679 1.770 ( -0.000 -6.267 0.000) 6.267 1.771 ( -0.000 -6.459 0.000) 6.459 2.131 ( 0.000 0.309 -0.000) 0.309 2.649 ( 0.000 6.745 -0.000) 6.745 2.989 ( 0.000 9.100 -0.000) 9.100 3.093 ( 0.000 0.920 -0.000) 0.920 3.710 ( 0.000 0.977 -0.000) 0.977 3.745 ( -0.000 -12.006 0.000) 12.006 3.767 ( -0.000 -4.295 0.000) 4.295 4.459 ( -0.000 -2.183 0.000) 2.183 5.225 ( 0.000 4.319 -0.000) 4.319 5.269 ( -0.000 -0.104 0.000) 0.104 5.561 ( 0.000 1.675 -0.000) 1.675 5.621 ( 0.000 11.251 -0.000) 11.251 5.972 ( 0.000 2.944 -0.000) 2.944 6.199 ( -0.000 -13.581 0.000) 13.581 6.576 ( 0.000 7.972 -0.000) 7.972 6.858 ( -0.000 -4.281 0.000) 4.281 7.007 ( 0.000 16.520 -0.000) 16.520 7.228 ( 0.000 1.170 -0.000) 1.170 7.239 ( 0.000 3.380 -0.000) 3.380 7.448 ( -0.000 -5.437 0.000) 5.437 7.485 ( 0.000 3.790 -0.000) 3.790 7.628 ( -0.000 -12.655 0.000) 12.655 7.763 ( 0.000 0.666 -0.000) 0.666 7.797 ( -0.000 -2.720 0.000) 2.720 13.857 ( -0.000 -1.375 0.000) 1.375 13.876 ( -0.000 -3.055 0.000) 3.055 15.196 ( 0.000 0.517 -0.000) 0.517 15.464 ( 0.000 0.561 -0.000) 0.561 17.226 ( 0.000 0.197 -0.000) 0.197 17.621 ( 0.000 0.244 -0.000) 0.244 17.636 ( -0.000 -1.339 0.000) 1.339 18.379 ( 0.000 6.458 -0.000) 6.458 ======================= Grid point 431 (90/90) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 8.58e-05 8.58e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.000 0.000 -0.000) 0.000 1.541 ( -0.000 0.000 -0.000) 0.000 1.704 ( 0.000 -0.000 0.000) 0.000 1.704 ( 0.000 -0.000 0.000) 0.000 2.135 ( -0.000 0.000 -0.000) 0.000 2.721 ( -0.000 0.000 -0.000) 0.000 3.102 ( -0.000 0.000 -0.000) 0.000 3.102 ( -0.000 0.000 -0.000) 0.000 3.601 ( -0.000 0.000 -0.000) 0.000 3.720 ( -0.000 0.000 -0.000) 0.000 3.720 ( -0.000 0.000 -0.000) 0.000 4.437 ( -0.000 0.000 -0.000) 0.000 5.268 ( -0.000 0.000 -0.000) 0.000 5.268 ( -0.000 0.000 -0.000) 0.000 5.577 ( -0.000 0.000 -0.000) 0.000 5.794 ( -0.000 0.000 -0.000) 0.000 6.002 ( -0.000 0.000 -0.000) 0.000 6.002 ( -0.000 0.000 -0.000) 0.000 6.660 ( -0.000 0.000 -0.000) 0.000 6.813 ( -0.000 0.000 -0.000) 0.000 7.239 ( 0.000 -0.000 0.000) 0.000 7.317 ( -0.000 0.000 -0.000) 0.000 7.329 ( -0.000 0.000 -0.000) 0.000 7.346 ( -0.000 0.000 -0.000) 0.000 7.346 ( -0.000 0.000 -0.000) 0.000 7.524 ( -0.000 0.000 -0.000) 0.000 7.770 ( -0.000 0.000 -0.000) 0.000 7.770 ( -0.000 0.000 -0.000) 0.000 13.843 ( -0.000 0.000 -0.000) 0.000 13.843 ( -0.000 0.000 -0.000) 0.000 15.203 ( -0.000 0.000 -0.000) 0.000 15.470 ( -0.000 0.000 -0.000) 0.000 17.228 ( -0.000 0.000 -0.000) 0.000 17.622 ( -0.000 0.000 -0.000) 0.000 17.622 ( -0.000 0.000 -0.000) 0.000 18.446 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 589.445 589.445 569.265 -0.000 0.000 0.000 3/29160 20.0 117.082 117.082 106.198 -0.000 0.000 0.000 3/29160 30.0 49.660 49.660 46.757 -0.000 0.000 0.000 3/29160 40.0 26.329 26.329 25.006 -0.000 0.000 0.000 3/29160 50.0 16.300 16.300 15.442 -0.000 0.000 0.000 3/29160 60.0 11.320 11.320 10.664 -0.000 0.000 0.000 3/29160 70.0 8.531 8.531 7.987 -0.000 0.000 0.000 3/29160 80.0 6.812 6.812 6.342 -0.000 0.000 0.000 3/29160 90.0 5.668 5.668 5.253 -0.000 0.000 0.000 3/29160 100.0 4.861 4.861 4.489 -0.000 0.000 0.000 3/29160 110.0 4.263 4.263 3.928 -0.000 0.000 0.000 3/29160 120.0 3.804 3.804 3.501 -0.000 0.000 0.000 3/29160 130.0 3.441 3.441 3.166 -0.000 0.000 0.000 3/29160 140.0 3.146 3.146 2.897 -0.000 0.000 0.000 3/29160 150.0 2.902 2.902 2.677 -0.000 0.000 0.000 3/29160 160.0 2.697 2.697 2.492 -0.000 0.000 0.000 3/29160 170.0 2.521 2.521 2.335 -0.000 0.000 0.000 3/29160 180.0 2.369 2.369 2.201 -0.000 0.000 0.000 3/29160 190.0 2.236 2.236 2.083 -0.000 0.000 0.000 3/29160 200.0 2.119 2.119 1.979 -0.000 0.000 0.000 3/29160 210.0 2.014 2.014 1.887 -0.000 0.000 0.000 3/29160 220.0 1.920 1.920 1.805 -0.000 0.000 0.000 3/29160 230.0 1.835 1.835 1.730 -0.000 0.000 0.000 3/29160 240.0 1.758 1.758 1.662 -0.000 0.000 0.000 3/29160 250.0 1.688 1.688 1.600 -0.000 0.000 0.000 3/29160 260.0 1.623 1.623 1.543 -0.000 0.000 0.000 3/29160 270.0 1.563 1.563 1.490 -0.000 0.000 0.000 3/29160 280.0 1.508 1.508 1.441 -0.000 0.000 0.000 3/29160 290.0 1.457 1.457 1.395 -0.000 0.000 0.000 3/29160 300.0 1.409 1.409 1.352 -0.000 0.000 0.000 3/29160 310.0 1.364 1.364 1.312 -0.000 0.000 0.000 3/29160 320.0 1.323 1.323 1.275 -0.000 0.000 0.000 3/29160 330.0 1.283 1.283 1.239 -0.000 0.000 0.000 3/29160 340.0 1.247 1.247 1.206 -0.000 0.000 0.000 3/29160 350.0 1.212 1.212 1.174 -0.000 0.000 0.000 3/29160 360.0 1.179 1.179 1.144 -0.000 0.000 0.000 3/29160 370.0 1.148 1.148 1.116 -0.000 0.000 0.000 3/29160 380.0 1.118 1.118 1.089 -0.000 0.000 0.000 3/29160 390.0 1.090 1.090 1.063 -0.000 0.000 0.000 3/29160 400.0 1.064 1.064 1.039 -0.000 0.000 0.000 3/29160 410.0 1.039 1.039 1.015 -0.000 0.000 0.000 3/29160 420.0 1.014 1.014 0.993 -0.000 0.000 0.000 3/29160 430.0 0.991 0.991 0.971 -0.000 0.000 0.000 3/29160 440.0 0.970 0.970 0.951 -0.000 0.000 0.000 3/29160 450.0 0.948 0.948 0.931 -0.000 0.000 0.000 3/29160 460.0 0.928 0.928 0.912 -0.000 0.000 0.000 3/29160 470.0 0.909 0.909 0.894 -0.000 0.000 0.000 3/29160 480.0 0.891 0.891 0.877 -0.000 0.000 0.000 3/29160 490.0 0.873 0.873 0.860 -0.000 0.000 0.000 3/29160 500.0 0.856 0.856 0.844 -0.000 0.000 0.000 3/29160 510.0 0.839 0.839 0.828 -0.000 0.000 0.000 3/29160 520.0 0.824 0.824 0.813 -0.000 0.000 0.000 3/29160 530.0 0.808 0.808 0.799 -0.000 0.000 0.000 3/29160 540.0 0.794 0.794 0.785 -0.000 0.000 0.000 3/29160 550.0 0.780 0.780 0.771 -0.000 0.000 0.000 3/29160 560.0 0.766 0.766 0.758 -0.000 0.000 0.000 3/29160 570.0 0.753 0.753 0.746 -0.000 0.000 0.000 3/29160 580.0 0.740 0.740 0.733 -0.000 0.000 0.000 3/29160 590.0 0.728 0.728 0.722 -0.000 0.000 0.000 3/29160 600.0 0.716 0.716 0.710 -0.000 0.000 0.000 3/29160 610.0 0.704 0.704 0.699 -0.000 0.000 0.000 3/29160 620.0 0.693 0.693 0.688 -0.000 0.000 0.000 3/29160 630.0 0.682 0.682 0.678 -0.000 0.000 0.000 3/29160 640.0 0.672 0.672 0.668 -0.000 0.000 0.000 3/29160 650.0 0.662 0.662 0.658 -0.000 0.000 0.000 3/29160 660.0 0.652 0.652 0.648 -0.000 0.000 0.000 3/29160 670.0 0.642 0.642 0.639 -0.000 0.000 0.000 3/29160 680.0 0.633 0.633 0.630 -0.000 0.000 0.000 3/29160 690.0 0.624 0.624 0.621 -0.000 0.000 0.000 3/29160 700.0 0.615 0.615 0.613 -0.000 0.000 0.000 3/29160 710.0 0.607 0.607 0.605 -0.000 0.000 0.000 3/29160 720.0 0.598 0.598 0.596 -0.000 0.000 0.000 3/29160 730.0 0.590 0.590 0.589 -0.000 0.000 0.000 3/29160 740.0 0.582 0.582 0.581 -0.000 0.000 0.000 3/29160 750.0 0.575 0.575 0.573 -0.000 0.000 0.000 3/29160 760.0 0.567 0.567 0.566 -0.000 0.000 0.000 3/29160 770.0 0.560 0.560 0.559 -0.000 0.000 0.000 3/29160 780.0 0.553 0.553 0.552 -0.000 0.000 0.000 3/29160 790.0 0.546 0.546 0.545 -0.000 0.000 0.000 3/29160 800.0 0.539 0.539 0.539 -0.000 0.000 0.000 3/29160 810.0 0.533 0.533 0.532 -0.000 0.000 0.000 3/29160 820.0 0.526 0.526 0.526 -0.000 0.000 0.000 3/29160 830.0 0.520 0.520 0.520 -0.000 0.000 0.000 3/29160 840.0 0.514 0.514 0.514 -0.000 0.000 0.000 3/29160 850.0 0.508 0.508 0.508 -0.000 0.000 0.000 3/29160 860.0 0.502 0.502 0.502 -0.000 0.000 0.000 3/29160 870.0 0.496 0.496 0.497 -0.000 0.000 0.000 3/29160 880.0 0.491 0.491 0.491 -0.000 0.000 0.000 3/29160 890.0 0.485 0.485 0.486 -0.000 0.000 0.000 3/29160 900.0 0.480 0.480 0.481 -0.000 0.000 0.000 3/29160 910.0 0.475 0.475 0.475 -0.000 0.000 0.000 3/29160 920.0 0.470 0.470 0.470 -0.000 0.000 0.000 3/29160 930.0 0.465 0.465 0.465 -0.000 0.000 0.000 3/29160 940.0 0.460 0.460 0.461 -0.000 0.000 0.000 3/29160 950.0 0.455 0.455 0.456 -0.000 0.000 0.000 3/29160 960.0 0.450 0.450 0.451 -0.000 0.000 0.000 3/29160 970.0 0.446 0.446 0.447 -0.000 0.000 0.000 3/29160 980.0 0.441 0.441 0.442 -0.000 0.000 0.000 3/29160 990.0 0.437 0.437 0.438 -0.000 0.000 0.000 3/29160 1000.0 0.432 0.432 0.434 -0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m1990.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:21:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|