----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:36:18]------------------------- Compiled with OpenMP support (max 32 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.767315029456790 1.597710077189371 8.360790596666657 b -2.767315029456785 1.597710077189371 8.360790596666657 c 0.000000000000003 -3.195420154378747 8.360790596666657 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 *2 P 0.07937457375796 0.07937457375796 0.07937457375796 30.974 3 P 0.92062542624204 0.92062542624204 0.92062542624204 30.974 *4 K 0.37690729099188 0.37690729099189 0.37690729099189 39.098 5 K 0.62309270900811 0.62309270900812 0.62309270900811 39.098 *6 K 0.20874234993051 0.20874234993051 0.20874234993051 39.098 7 K 0.79125765006950 0.79125765006950 0.79125765006950 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.534630058913574 0.000000000000000 0.000000000000000 b -2.767315029456787 4.793130231568119 0.000000000000000 c 0.000000000000000 0.000000000000000 25.082371789999996 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.66666666666667 0.33333333333333 0.33333333333333 9.012 > 1 3 Be 0.33333333333333 0.66666666666667 0.66666666666667 9.012 > 1 *4 P 0.00000000000000 0.00000000000000 0.07937457375796 30.974 > 2 5 P 0.66666666666667 0.33333333333333 0.25395875957537 30.974 > 3 6 P 0.66666666666667 0.33333333333333 0.41270790709130 30.974 > 2 7 P 0.33333333333333 0.66666666666667 0.58729209290870 30.974 > 3 8 P 0.33333333333333 0.66666666666667 0.74604124042463 30.974 > 2 9 P 0.00000000000000 0.00000000000000 0.92062542624204 30.974 > 3 *10 K 0.33333333333333 0.66666666666667 0.04357395765855 39.098 > 4 11 K 0.33333333333333 0.66666666666667 0.28975937567478 39.098 > 5 *12 K 0.00000000000000 0.00000000000000 0.20874234993051 39.098 > 6 13 K 0.66666666666667 0.33333333333333 0.12459098340283 39.098 > 7 14 K 0.00000000000000 0.00000000000000 0.37690729099189 39.098 > 4 15 K 0.00000000000000 0.00000000000000 0.62309270900811 39.098 > 5 16 K 0.66666666666667 0.33333333333333 0.54207568326384 39.098 > 6 17 K 0.33333333333333 0.66666666666667 0.45792431673616 39.098 > 7 18 K 0.66666666666667 0.33333333333333 0.71024062432522 39.098 > 4 19 K 0.66666666666667 0.33333333333333 0.95642604234145 39.098 > 5 20 K 0.33333333333333 0.66666666666667 0.87540901659717 39.098 > 6 21 K 0.00000000000000 0.00000000000000 0.79125765006949 39.098 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.069260117827149 0.000000000000000 0.000000000000000 b -5.534630058913574 9.586260463136238 0.000000000000000 c 0.000000000000000 0.000000000000000 25.082371789999996 Atomic positions (fractional): *1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.33333333333333 0.16666666666667 0.33333333333333 9.012 > 1 6 Be 0.83333333333333 0.16666666666667 0.33333333333333 9.012 > 1 7 Be 0.33333333333333 0.66666666666667 0.33333333333333 9.012 > 1 8 Be 0.83333333333333 0.66666666666667 0.33333333333333 9.012 > 1 9 Be 0.16666666666667 0.33333333333333 0.66666666666667 9.012 > 1 10 Be 0.66666666666667 0.33333333333333 0.66666666666667 9.012 > 1 11 Be 0.16666666666667 0.83333333333333 0.66666666666667 9.012 > 1 12 Be 0.66666666666667 0.83333333333333 0.66666666666667 9.012 > 1 *13 P 0.00000000000000 0.00000000000000 0.07937457375796 30.974 > 2 14 P 0.50000000000000 0.00000000000000 0.07937457375796 30.974 > 2 15 P 0.00000000000000 0.50000000000000 0.07937457375796 30.974 > 2 16 P 0.50000000000000 0.50000000000000 0.07937457375796 30.974 > 2 17 P 0.33333333333333 0.16666666666667 0.25395875957537 30.974 > 3 18 P 0.83333333333333 0.16666666666667 0.25395875957537 30.974 > 3 19 P 0.33333333333333 0.66666666666667 0.25395875957537 30.974 > 3 20 P 0.83333333333333 0.66666666666667 0.25395875957537 30.974 > 3 21 P 0.33333333333333 0.16666666666667 0.41270790709130 30.974 > 2 22 P 0.83333333333333 0.16666666666667 0.41270790709130 30.974 > 2 23 P 0.33333333333333 0.66666666666667 0.41270790709130 30.974 > 2 24 P 0.83333333333333 0.66666666666667 0.41270790709130 30.974 > 2 25 P 0.16666666666667 0.33333333333333 0.58729209290870 30.974 > 3 26 P 0.66666666666667 0.33333333333333 0.58729209290870 30.974 > 3 27 P 0.16666666666667 0.83333333333333 0.58729209290870 30.974 > 3 28 P 0.66666666666667 0.83333333333333 0.58729209290870 30.974 > 3 29 P 0.16666666666667 0.33333333333333 0.74604124042463 30.974 > 2 30 P 0.66666666666667 0.33333333333333 0.74604124042463 30.974 > 2 31 P 0.16666666666667 0.83333333333333 0.74604124042463 30.974 > 2 32 P 0.66666666666667 0.83333333333333 0.74604124042463 30.974 > 2 33 P 0.00000000000000 0.00000000000000 0.92062542624204 30.974 > 3 34 P 0.50000000000000 0.00000000000000 0.92062542624204 30.974 > 3 35 P 0.00000000000000 0.50000000000000 0.92062542624204 30.974 > 3 36 P 0.50000000000000 0.50000000000000 0.92062542624204 30.974 > 3 *37 K 0.16666666666667 0.33333333333333 0.04357395765855 39.098 > 4 38 K 0.66666666666667 0.33333333333333 0.04357395765855 39.098 > 4 39 K 0.16666666666667 0.83333333333333 0.04357395765855 39.098 > 4 40 K 0.66666666666667 0.83333333333333 0.04357395765855 39.098 > 4 41 K 0.16666666666667 0.33333333333333 0.28975937567478 39.098 > 5 42 K 0.66666666666667 0.33333333333333 0.28975937567478 39.098 > 5 43 K 0.16666666666667 0.83333333333333 0.28975937567478 39.098 > 5 44 K 0.66666666666667 0.83333333333333 0.28975937567478 39.098 > 5 *45 K 0.00000000000000 0.00000000000000 0.20874234993051 39.098 > 6 46 K 0.50000000000000 0.00000000000000 0.20874234993051 39.098 > 6 47 K 0.00000000000000 0.50000000000000 0.20874234993051 39.098 > 6 48 K 0.50000000000000 0.50000000000000 0.20874234993051 39.098 > 6 49 K 0.33333333333333 0.16666666666667 0.12459098340283 39.098 > 7 50 K 0.83333333333333 0.16666666666667 0.12459098340283 39.098 > 7 51 K 0.33333333333333 0.66666666666667 0.12459098340283 39.098 > 7 52 K 0.83333333333333 0.66666666666667 0.12459098340283 39.098 > 7 53 K 0.00000000000000 0.00000000000000 0.37690729099189 39.098 > 4 54 K 0.50000000000000 0.00000000000000 0.37690729099189 39.098 > 4 55 K 0.00000000000000 0.50000000000000 0.37690729099189 39.098 > 4 56 K 0.50000000000000 0.50000000000000 0.37690729099189 39.098 > 4 57 K 0.00000000000000 0.00000000000000 0.62309270900811 39.098 > 5 58 K 0.50000000000000 0.00000000000000 0.62309270900811 39.098 > 5 59 K 0.00000000000000 0.50000000000000 0.62309270900811 39.098 > 5 60 K 0.50000000000000 0.50000000000000 0.62309270900811 39.098 > 5 61 K 0.33333333333333 0.16666666666667 0.54207568326384 39.098 > 6 62 K 0.83333333333333 0.16666666666667 0.54207568326384 39.098 > 6 63 K 0.33333333333333 0.66666666666667 0.54207568326384 39.098 > 6 64 K 0.83333333333333 0.66666666666667 0.54207568326384 39.098 > 6 65 K 0.16666666666667 0.33333333333333 0.45792431673616 39.098 > 7 66 K 0.66666666666667 0.33333333333333 0.45792431673616 39.098 > 7 67 K 0.16666666666667 0.83333333333333 0.45792431673616 39.098 > 7 68 K 0.66666666666667 0.83333333333333 0.45792431673616 39.098 > 7 69 K 0.33333333333333 0.16666666666667 0.71024062432522 39.098 > 4 70 K 0.83333333333333 0.16666666666667 0.71024062432522 39.098 > 4 71 K 0.33333333333333 0.66666666666667 0.71024062432522 39.098 > 4 72 K 0.83333333333333 0.66666666666667 0.71024062432522 39.098 > 4 73 K 0.33333333333333 0.16666666666667 0.95642604234145 39.098 > 5 74 K 0.83333333333333 0.16666666666667 0.95642604234145 39.098 > 5 75 K 0.33333333333333 0.66666666666667 0.95642604234145 39.098 > 5 76 K 0.83333333333333 0.66666666666667 0.95642604234145 39.098 > 5 77 K 0.16666666666667 0.33333333333333 0.87540901659717 39.098 > 6 78 K 0.66666666666667 0.33333333333333 0.87540901659717 39.098 > 6 79 K 0.16666666666667 0.83333333333333 0.87540901659717 39.098 > 6 80 K 0.66666666666667 0.83333333333333 0.87540901659717 39.098 > 6 81 K 0.00000000000000 0.00000000000000 0.79125765006949 39.098 > 7 82 K 0.50000000000000 0.00000000000000 0.79125765006949 39.098 > 7 83 K 0.00000000000000 0.50000000000000 0.79125765006949 39.098 > 7 84 K 0.50000000000000 0.50000000000000 0.79125765006949 39.098 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2305788 -0.0000000 0.0000000 0.0000000 4.2305788 0.0000000 0.0000000 0.0000000 4.9970601 -------------------------- Born effective charges -------------------------- 1 Be -0.6956084 0.0000000 0.0000000 0.0000000 -0.6956084 0.0000000 0.0000000 0.0000000 1.9454515 2 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 3 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 4 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 5 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 6 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 7 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 251 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 80 / 80 - Time: 0.098 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.103 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 3486/3486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 294 Number of blocks in projector: 251 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 88 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 74 Use standard eigh solver. Tree of FC basis block matrices: - (294, 286), data: False |-- (74, 74), data: True |-- (88, 84), data: True |-- (132, 128), 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 23:36:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:22]------------------------- Compiled with OpenMP support (max 32 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.767315029456790 1.597710077189371 8.360790596666657 b -2.767315029456785 1.597710077189371 8.360790596666657 c 0.000000000000003 -3.195420154378747 8.360790596666657 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 2 P 0.07937457375796 0.07937457375796 0.07937457375796 30.974 3 P 0.92062542624204 0.92062542624204 0.92062542624204 30.974 4 K 0.37690729099188 0.37690729099189 0.37690729099189 39.098 5 K 0.62309270900811 0.62309270900812 0.62309270900811 39.098 6 K 0.20874234993051 0.20874234993051 0.20874234993051 39.098 7 K 0.79125765006950 0.79125765006950 0.79125765006950 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.069260117827149 0.000000000000000 0.000000000000000 b -5.534630058913574 9.586260463136238 0.000000000000000 c 0.000000000000000 0.000000000000000 25.082371789999996 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.33333333333333 0.16666666666667 0.33333333333333 9.012 > 1 6 Be 0.83333333333333 0.16666666666667 0.33333333333333 9.012 > 1 7 Be 0.33333333333333 0.66666666666667 0.33333333333333 9.012 > 1 8 Be 0.83333333333333 0.66666666666667 0.33333333333333 9.012 > 1 9 Be 0.16666666666667 0.33333333333333 0.66666666666667 9.012 > 1 10 Be 0.66666666666667 0.33333333333333 0.66666666666667 9.012 > 1 11 Be 0.16666666666667 0.83333333333333 0.66666666666667 9.012 > 1 12 Be 0.66666666666667 0.83333333333333 0.66666666666667 9.012 > 1 13 P 0.00000000000000 0.00000000000000 0.07937457375796 30.974 > 13 14 P 0.50000000000000 0.00000000000000 0.07937457375796 30.974 > 13 15 P 0.00000000000000 0.50000000000000 0.07937457375796 30.974 > 13 16 P 0.50000000000000 0.50000000000000 0.07937457375796 30.974 > 13 17 P 0.33333333333333 0.16666666666667 0.25395875957537 30.974 > 17 18 P 0.83333333333333 0.16666666666667 0.25395875957537 30.974 > 17 19 P 0.33333333333333 0.66666666666667 0.25395875957537 30.974 > 17 20 P 0.83333333333333 0.66666666666667 0.25395875957537 30.974 > 17 21 P 0.33333333333333 0.16666666666667 0.41270790709130 30.974 > 13 22 P 0.83333333333333 0.16666666666667 0.41270790709130 30.974 > 13 23 P 0.33333333333333 0.66666666666667 0.41270790709130 30.974 > 13 24 P 0.83333333333333 0.66666666666667 0.41270790709130 30.974 > 13 25 P 0.16666666666667 0.33333333333333 0.58729209290870 30.974 > 17 26 P 0.66666666666667 0.33333333333333 0.58729209290870 30.974 > 17 27 P 0.16666666666667 0.83333333333333 0.58729209290870 30.974 > 17 28 P 0.66666666666667 0.83333333333333 0.58729209290870 30.974 > 17 29 P 0.16666666666667 0.33333333333333 0.74604124042463 30.974 > 13 30 P 0.66666666666667 0.33333333333333 0.74604124042463 30.974 > 13 31 P 0.16666666666667 0.83333333333333 0.74604124042463 30.974 > 13 32 P 0.66666666666667 0.83333333333333 0.74604124042463 30.974 > 13 33 P 0.00000000000000 0.00000000000000 0.92062542624204 30.974 > 17 34 P 0.50000000000000 0.00000000000000 0.92062542624204 30.974 > 17 35 P 0.00000000000000 0.50000000000000 0.92062542624204 30.974 > 17 36 P 0.50000000000000 0.50000000000000 0.92062542624204 30.974 > 17 37 K 0.16666666666667 0.33333333333333 0.04357395765855 39.098 > 37 38 K 0.66666666666667 0.33333333333333 0.04357395765855 39.098 > 37 39 K 0.16666666666667 0.83333333333333 0.04357395765855 39.098 > 37 40 K 0.66666666666667 0.83333333333333 0.04357395765855 39.098 > 37 41 K 0.16666666666667 0.33333333333333 0.28975937567478 39.098 > 41 42 K 0.66666666666667 0.33333333333333 0.28975937567478 39.098 > 41 43 K 0.16666666666667 0.83333333333333 0.28975937567478 39.098 > 41 44 K 0.66666666666667 0.83333333333333 0.28975937567478 39.098 > 41 45 K 0.00000000000000 0.00000000000000 0.20874234993051 39.098 > 45 46 K 0.50000000000000 0.00000000000000 0.20874234993051 39.098 > 45 47 K 0.00000000000000 0.50000000000000 0.20874234993051 39.098 > 45 48 K 0.50000000000000 0.50000000000000 0.20874234993051 39.098 > 45 49 K 0.33333333333333 0.16666666666667 0.12459098340283 39.098 > 49 50 K 0.83333333333333 0.16666666666667 0.12459098340283 39.098 > 49 51 K 0.33333333333333 0.66666666666667 0.12459098340283 39.098 > 49 52 K 0.83333333333333 0.66666666666667 0.12459098340283 39.098 > 49 53 K 0.00000000000000 0.00000000000000 0.37690729099189 39.098 > 37 54 K 0.50000000000000 0.00000000000000 0.37690729099189 39.098 > 37 55 K 0.00000000000000 0.50000000000000 0.37690729099189 39.098 > 37 56 K 0.50000000000000 0.50000000000000 0.37690729099189 39.098 > 37 57 K 0.00000000000000 0.00000000000000 0.62309270900811 39.098 > 41 58 K 0.50000000000000 0.00000000000000 0.62309270900811 39.098 > 41 59 K 0.00000000000000 0.50000000000000 0.62309270900811 39.098 > 41 60 K 0.50000000000000 0.50000000000000 0.62309270900811 39.098 > 41 61 K 0.33333333333333 0.16666666666667 0.54207568326384 39.098 > 45 62 K 0.83333333333333 0.16666666666667 0.54207568326384 39.098 > 45 63 K 0.33333333333333 0.66666666666667 0.54207568326384 39.098 > 45 64 K 0.83333333333333 0.66666666666667 0.54207568326384 39.098 > 45 65 K 0.16666666666667 0.33333333333333 0.45792431673616 39.098 > 49 66 K 0.66666666666667 0.33333333333333 0.45792431673616 39.098 > 49 67 K 0.16666666666667 0.83333333333333 0.45792431673616 39.098 > 49 68 K 0.66666666666667 0.83333333333333 0.45792431673616 39.098 > 49 69 K 0.33333333333333 0.16666666666667 0.71024062432522 39.098 > 37 70 K 0.83333333333333 0.16666666666667 0.71024062432522 39.098 > 37 71 K 0.33333333333333 0.66666666666667 0.71024062432522 39.098 > 37 72 K 0.83333333333333 0.66666666666667 0.71024062432522 39.098 > 37 73 K 0.33333333333333 0.16666666666667 0.95642604234145 39.098 > 41 74 K 0.83333333333333 0.16666666666667 0.95642604234145 39.098 > 41 75 K 0.33333333333333 0.66666666666667 0.95642604234145 39.098 > 41 76 K 0.83333333333333 0.66666666666667 0.95642604234145 39.098 > 41 77 K 0.16666666666667 0.33333333333333 0.87540901659717 39.098 > 45 78 K 0.66666666666667 0.33333333333333 0.87540901659717 39.098 > 45 79 K 0.16666666666667 0.83333333333333 0.87540901659717 39.098 > 45 80 K 0.66666666666667 0.83333333333333 0.87540901659717 39.098 > 45 81 K 0.00000000000000 0.00000000000000 0.79125765006949 39.098 > 49 82 K 0.50000000000000 0.00000000000000 0.79125765006949 39.098 > 49 83 K 0.00000000000000 0.50000000000000 0.79125765006949 39.098 > 49 84 K 0.50000000000000 0.50000000000000 0.79125765006949 39.098 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2305788 -0.0000000 0.0000000 0.0000000 4.2305788 0.0000000 0.0000000 0.0000000 4.9970601 -------------------------- Born effective charges -------------------------- 1 Be -0.6956084 0.0000000 0.0000000 0.0000000 -0.6956084 0.0000000 0.0000000 0.0000000 1.9454515 2 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 3 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 4 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 5 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 6 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 7 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 ---------------------------------------------------------------------------- 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[ 13, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, 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 (zxx) -0.00000001 (zxx) -0.00000001 (zxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 23:36:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:36:28]------------------------- Compiled with OpenMP support (max 32 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: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3m (166) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.767315029456790 1.597710077189371 8.360790596666657 b -2.767315029456785 1.597710077189371 8.360790596666657 c 0.000000000000003 -3.195420154378747 8.360790596666657 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 2 P 0.07937457375796 0.07937457375796 0.07937457375796 30.974 3 P 0.92062542624204 0.92062542624204 0.92062542624204 30.974 4 K 0.37690729099188 0.37690729099189 0.37690729099189 39.098 5 K 0.62309270900811 0.62309270900812 0.62309270900811 39.098 6 K 0.20874234993051 0.20874234993051 0.20874234993051 39.098 7 K 0.79125765006950 0.79125765006950 0.79125765006950 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.069260117827149 0.000000000000000 0.000000000000000 b -5.534630058913574 9.586260463136238 0.000000000000000 c 0.000000000000000 0.000000000000000 25.082371789999996 Atomic positions (fractional): 1 Be 0.00000000000000 0.00000000000000 0.00000000000000 9.012 > 1 2 Be 0.50000000000000 0.00000000000000 0.00000000000000 9.012 > 1 3 Be 0.00000000000000 0.50000000000000 0.00000000000000 9.012 > 1 4 Be 0.50000000000000 0.50000000000000 0.00000000000000 9.012 > 1 5 Be 0.33333333333333 0.16666666666667 0.33333333333333 9.012 > 1 6 Be 0.83333333333333 0.16666666666667 0.33333333333333 9.012 > 1 7 Be 0.33333333333333 0.66666666666667 0.33333333333333 9.012 > 1 8 Be 0.83333333333333 0.66666666666667 0.33333333333333 9.012 > 1 9 Be 0.16666666666667 0.33333333333333 0.66666666666667 9.012 > 1 10 Be 0.66666666666667 0.33333333333333 0.66666666666667 9.012 > 1 11 Be 0.16666666666667 0.83333333333333 0.66666666666667 9.012 > 1 12 Be 0.66666666666667 0.83333333333333 0.66666666666667 9.012 > 1 13 P 0.00000000000000 0.00000000000000 0.07937457375796 30.974 > 13 14 P 0.50000000000000 0.00000000000000 0.07937457375796 30.974 > 13 15 P 0.00000000000000 0.50000000000000 0.07937457375796 30.974 > 13 16 P 0.50000000000000 0.50000000000000 0.07937457375796 30.974 > 13 17 P 0.33333333333333 0.16666666666667 0.25395875957537 30.974 > 17 18 P 0.83333333333333 0.16666666666667 0.25395875957537 30.974 > 17 19 P 0.33333333333333 0.66666666666667 0.25395875957537 30.974 > 17 20 P 0.83333333333333 0.66666666666667 0.25395875957537 30.974 > 17 21 P 0.33333333333333 0.16666666666667 0.41270790709130 30.974 > 13 22 P 0.83333333333333 0.16666666666667 0.41270790709130 30.974 > 13 23 P 0.33333333333333 0.66666666666667 0.41270790709130 30.974 > 13 24 P 0.83333333333333 0.66666666666667 0.41270790709130 30.974 > 13 25 P 0.16666666666667 0.33333333333333 0.58729209290870 30.974 > 17 26 P 0.66666666666667 0.33333333333333 0.58729209290870 30.974 > 17 27 P 0.16666666666667 0.83333333333333 0.58729209290870 30.974 > 17 28 P 0.66666666666667 0.83333333333333 0.58729209290870 30.974 > 17 29 P 0.16666666666667 0.33333333333333 0.74604124042463 30.974 > 13 30 P 0.66666666666667 0.33333333333333 0.74604124042463 30.974 > 13 31 P 0.16666666666667 0.83333333333333 0.74604124042463 30.974 > 13 32 P 0.66666666666667 0.83333333333333 0.74604124042463 30.974 > 13 33 P 0.00000000000000 0.00000000000000 0.92062542624204 30.974 > 17 34 P 0.50000000000000 0.00000000000000 0.92062542624204 30.974 > 17 35 P 0.00000000000000 0.50000000000000 0.92062542624204 30.974 > 17 36 P 0.50000000000000 0.50000000000000 0.92062542624204 30.974 > 17 37 K 0.16666666666667 0.33333333333333 0.04357395765855 39.098 > 37 38 K 0.66666666666667 0.33333333333333 0.04357395765855 39.098 > 37 39 K 0.16666666666667 0.83333333333333 0.04357395765855 39.098 > 37 40 K 0.66666666666667 0.83333333333333 0.04357395765855 39.098 > 37 41 K 0.16666666666667 0.33333333333333 0.28975937567478 39.098 > 41 42 K 0.66666666666667 0.33333333333333 0.28975937567478 39.098 > 41 43 K 0.16666666666667 0.83333333333333 0.28975937567478 39.098 > 41 44 K 0.66666666666667 0.83333333333333 0.28975937567478 39.098 > 41 45 K 0.00000000000000 0.00000000000000 0.20874234993051 39.098 > 45 46 K 0.50000000000000 0.00000000000000 0.20874234993051 39.098 > 45 47 K 0.00000000000000 0.50000000000000 0.20874234993051 39.098 > 45 48 K 0.50000000000000 0.50000000000000 0.20874234993051 39.098 > 45 49 K 0.33333333333333 0.16666666666667 0.12459098340283 39.098 > 49 50 K 0.83333333333333 0.16666666666667 0.12459098340283 39.098 > 49 51 K 0.33333333333333 0.66666666666667 0.12459098340283 39.098 > 49 52 K 0.83333333333333 0.66666666666667 0.12459098340283 39.098 > 49 53 K 0.00000000000000 0.00000000000000 0.37690729099189 39.098 > 37 54 K 0.50000000000000 0.00000000000000 0.37690729099189 39.098 > 37 55 K 0.00000000000000 0.50000000000000 0.37690729099189 39.098 > 37 56 K 0.50000000000000 0.50000000000000 0.37690729099189 39.098 > 37 57 K 0.00000000000000 0.00000000000000 0.62309270900811 39.098 > 41 58 K 0.50000000000000 0.00000000000000 0.62309270900811 39.098 > 41 59 K 0.00000000000000 0.50000000000000 0.62309270900811 39.098 > 41 60 K 0.50000000000000 0.50000000000000 0.62309270900811 39.098 > 41 61 K 0.33333333333333 0.16666666666667 0.54207568326384 39.098 > 45 62 K 0.83333333333333 0.16666666666667 0.54207568326384 39.098 > 45 63 K 0.33333333333333 0.66666666666667 0.54207568326384 39.098 > 45 64 K 0.83333333333333 0.66666666666667 0.54207568326384 39.098 > 45 65 K 0.16666666666667 0.33333333333333 0.45792431673616 39.098 > 49 66 K 0.66666666666667 0.33333333333333 0.45792431673616 39.098 > 49 67 K 0.16666666666667 0.83333333333333 0.45792431673616 39.098 > 49 68 K 0.66666666666667 0.83333333333333 0.45792431673616 39.098 > 49 69 K 0.33333333333333 0.16666666666667 0.71024062432522 39.098 > 37 70 K 0.83333333333333 0.16666666666667 0.71024062432522 39.098 > 37 71 K 0.33333333333333 0.66666666666667 0.71024062432522 39.098 > 37 72 K 0.83333333333333 0.66666666666667 0.71024062432522 39.098 > 37 73 K 0.33333333333333 0.16666666666667 0.95642604234145 39.098 > 41 74 K 0.83333333333333 0.16666666666667 0.95642604234145 39.098 > 41 75 K 0.33333333333333 0.66666666666667 0.95642604234145 39.098 > 41 76 K 0.83333333333333 0.66666666666667 0.95642604234145 39.098 > 41 77 K 0.16666666666667 0.33333333333333 0.87540901659717 39.098 > 45 78 K 0.66666666666667 0.33333333333333 0.87540901659717 39.098 > 45 79 K 0.16666666666667 0.83333333333333 0.87540901659717 39.098 > 45 80 K 0.66666666666667 0.83333333333333 0.87540901659717 39.098 > 45 81 K 0.00000000000000 0.00000000000000 0.79125765006949 39.098 > 49 82 K 0.50000000000000 0.00000000000000 0.79125765006949 39.098 > 49 83 K 0.00000000000000 0.50000000000000 0.79125765006949 39.098 > 49 84 K 0.50000000000000 0.50000000000000 0.79125765006949 39.098 > 49 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2305788 -0.0000000 0.0000000 0.0000000 4.2305788 0.0000000 0.0000000 0.0000000 4.9970601 -------------------------- Born effective charges -------------------------- 1 Be -0.6956084 0.0000000 0.0000000 0.0000000 -0.6956084 0.0000000 0.0000000 0.0000000 1.9454515 2 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 3 P -1.6576745 0.0000000 0.0000000 0.0000000 -1.6576745 0.0000000 0.0000000 0.0000000 -2.9761712 4 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 5 K 1.0837985 -0.0000000 0.0000000 0.0000000 1.0837985 0.0000000 0.0000000 0.0000000 0.6903521 6 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 7 K 0.9216802 -0.0000000 0.0000000 0.0000000 0.9216802 0.0000000 0.0000000 0.0000000 1.3130933 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zxx) -0.00000001 (zxx) -0.00000001 (zxx) 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 ... [ 11 11 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 299, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/146) ======================= 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 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 1.641 ( 0.000 0.000 0.000) 0.000 1.641 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 9.886 ( 0.000 0.000 0.000) 0.000 10.871 ( 0.000 0.000 0.000) 0.000 25.785 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/146) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 13.428 7.753 21.657) 26.635 0.497 ( 22.503 12.992 -1.346) 26.020 0.901 ( 39.151 22.604 5.183) 45.504 1.707 ( 6.026 3.479 -0.768) 7.001 1.738 ( 7.315 4.223 -0.279) 8.451 2.301 ( -5.752 -3.321 -0.159) 6.644 2.553 ( 3.981 2.299 6.216) 7.732 3.089 ( -3.692 -2.131 1.233) 4.437 3.104 ( -4.844 -2.797 -0.249) 5.599 3.576 ( -1.202 -0.694 -0.426) 1.452 3.579 ( -1.898 -1.096 -0.732) 2.310 3.664 ( 5.110 2.950 3.113) 6.671 4.173 ( -2.670 -1.542 3.751) 4.855 4.578 ( -2.160 -1.247 0.274) 2.509 4.652 ( -0.133 -0.077 0.058) 0.165 4.694 ( 2.206 1.274 -0.147) 2.552 5.898 ( -1.737 -1.003 -11.500) 11.674 9.887 ( 0.113 0.065 -0.249) 0.281 9.954 ( 0.426 0.246 -1.018) 1.131 10.858 ( -1.069 -0.617 -0.674) 1.406 25.781 ( -4.816 -2.781 13.396) 14.505 ======================= Grid point 2 (3/146) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 13.697 7.908 20.178) 25.638 0.968 ( 20.931 12.084 -2.062) 24.257 1.673 ( 23.990 13.851 2.055) 27.778 1.879 ( 4.336 2.504 3.388) 6.046 1.888 ( 10.314 5.955 -0.637) 11.927 2.211 ( 3.479 2.008 0.781) 4.092 2.735 ( 10.801 6.236 -1.060) 12.517 2.980 ( -6.654 -3.842 1.905) 7.916 2.998 ( -3.796 -2.192 1.769) 4.727 3.512 ( -3.966 -2.290 -0.912) 4.670 3.534 ( -2.348 -1.355 -0.342) 2.732 3.778 ( 3.467 2.001 3.115) 5.072 4.119 ( -2.462 -1.421 -0.042) 2.843 4.540 ( -1.317 -0.760 0.103) 1.524 4.647 ( -0.513 -0.296 0.682) 0.903 4.734 ( 1.385 0.799 0.005) 1.599 5.778 ( -5.958 -3.440 -8.261) 10.751 9.889 ( 0.170 0.098 -0.435) 0.477 9.962 ( 0.440 0.254 0.188) 0.542 10.823 ( -1.734 -1.001 -1.256) 2.364 25.702 ( -5.488 -3.168 6.689) 9.214 ======================= Grid point 3 (4/146) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 12.050 6.957 17.002) 21.970 1.393 ( 18.667 10.777 -3.071) 21.772 1.774 ( -4.508 -2.603 -1.366) 5.382 1.920 ( -1.887 -1.089 4.523) 5.021 2.138 ( 12.163 7.023 0.573) 14.057 2.664 ( 23.182 13.384 0.656) 26.777 2.817 ( -8.719 -5.034 1.910) 10.247 2.830 ( 1.759 1.016 1.147) 2.333 3.125 ( 13.876 8.011 0.429) 16.029 3.400 ( -5.875 -3.392 -0.714) 6.821 3.482 ( -1.618 -0.934 -1.198) 2.220 3.830 ( 0.896 0.517 2.544) 2.746 4.081 ( -0.471 -0.272 -1.491) 1.587 4.521 ( -0.495 -0.286 -0.108) 0.582 4.630 ( -1.743 -1.006 2.516) 3.222 4.754 ( 0.474 0.274 0.115) 0.559 5.577 ( -9.837 -5.680 -7.646) 13.693 9.891 ( 0.157 0.090 -0.496) 0.528 9.974 ( 0.467 0.270 0.558) 0.776 10.778 ( -1.788 -1.032 -1.537) 2.574 25.599 ( -5.446 -3.144 4.058) 7.484 ======================= Grid point 4 (5/146) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 8.675 5.008 11.739) 15.432 1.670 ( -3.682 -2.126 -0.177) 4.256 1.762 ( 16.165 9.333 -3.936) 19.077 1.874 ( -3.015 -1.740 2.495) 4.283 2.403 ( 10.459 6.039 3.764) 12.650 2.620 ( -9.136 -5.275 -0.069) 10.550 2.686 ( -4.014 -2.317 -1.860) 4.994 3.184 ( 8.972 5.180 2.940) 10.770 3.254 ( -7.118 -4.110 -0.503) 8.235 3.420 ( 11.105 6.411 -0.438) 12.830 3.517 ( 7.153 4.130 -2.182) 8.543 3.900 ( 7.220 4.169 3.878) 9.195 4.101 ( 3.277 1.892 -2.680) 4.637 4.515 ( -0.065 -0.037 -0.186) 0.201 4.580 ( -4.072 -2.351 4.425) 6.457 4.758 ( -0.056 -0.032 0.138) 0.152 5.294 ( -13.326 -7.694 -7.228) 17.001 9.892 ( 0.100 0.058 -0.394) 0.411 9.985 ( 0.372 0.215 0.502) 0.661 10.738 ( -1.292 -0.746 -1.289) 1.971 25.504 ( -4.022 -2.322 2.262) 5.165 ======================= Grid point 5 (6/146) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.617 2.088 4.656) 6.255 1.618 ( -1.291 -0.746 -0.379) 1.538 1.826 ( -1.500 -0.866 0.844) 1.927 2.070 ( 12.786 7.382 -4.070) 15.315 2.375 ( -10.809 -6.241 5.307) 13.563 2.612 ( -1.846 -1.066 -0.616) 2.219 2.641 ( 6.693 3.864 -1.223) 7.825 3.106 ( -5.102 -2.946 -0.248) 5.896 3.238 ( -0.304 -0.176 0.773) 0.849 3.559 ( 2.874 1.659 -1.664) 3.713 3.631 ( 1.867 1.078 -0.146) 2.160 4.196 ( 6.492 3.748 -7.697) 10.744 4.202 ( 11.733 6.774 9.082) 16.311 4.494 ( -4.187 -2.418 3.931) 6.231 4.514 ( 0.022 0.012 -0.089) 0.092 4.756 ( -0.093 -0.054 0.062) 0.124 4.974 ( -11.524 -6.654 -5.028) 14.225 9.893 ( 0.033 0.019 -0.150) 0.155 9.992 ( 0.143 0.082 0.196) 0.256 10.715 ( -0.464 -0.268 -0.506) 0.737 25.448 ( -1.481 -0.855 0.730) 1.859 ======================= Grid point 12 (7/146) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 12.940 34.749) 37.080 0.539 ( -0.000 25.670 6.042) 26.371 0.882 ( -0.000 43.531 2.796) 43.621 1.693 ( -0.000 6.477 -3.378) 7.305 1.731 ( -0.000 8.579 -1.250) 8.670 2.301 ( 0.000 -6.625 -0.147) 6.626 2.587 ( 0.000 1.602 10.431) 10.553 3.092 ( 0.000 -4.176 1.707) 4.511 3.121 ( 0.000 -4.804 2.747) 5.534 3.567 ( -0.000 -2.253 -1.618) 2.773 3.580 ( 0.000 -2.211 -0.532) 2.275 3.637 ( -0.000 5.281 -1.399) 5.463 4.205 ( 0.000 -5.169 7.873) 9.418 4.576 ( 0.000 -2.366 -0.132) 2.370 4.653 ( 0.000 -0.317 0.263) 0.412 4.695 ( -0.000 2.404 -0.025) 2.404 5.857 ( -0.000 3.048 -17.393) 17.658 9.892 ( 0.000 0.345 0.644) 0.731 9.942 ( -0.000 0.880 -2.686) 2.827 10.855 ( -0.000 -1.328 -0.768) 1.534 25.846 ( 0.000 -10.973 21.164) 23.839 ======================= Grid point 13 (8/146) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 5.313 13.213 29.552) 32.804 0.898 ( 9.687 23.557 2.397) 25.584 1.473 ( 20.350 28.225 2.753) 34.905 1.812 ( 6.086 7.278 -3.760) 10.206 1.846 ( 3.850 6.753 1.917) 8.006 2.224 ( -0.513 -1.827 -0.360) 1.931 2.683 ( 3.793 8.459 2.699) 9.656 3.027 ( -2.959 -5.408 2.444) 6.631 3.050 ( -4.020 -4.123 4.452) 7.278 3.495 ( -2.607 -5.215 -1.189) 5.950 3.563 ( -0.146 -0.646 -1.509) 1.648 3.739 ( 5.011 2.612 -0.091) 5.652 4.150 ( -2.987 -2.949 2.216) 4.746 4.575 ( -0.164 -0.102 0.566) 0.598 4.623 ( -0.397 -1.479 0.350) 1.571 4.722 ( 0.589 0.834 -0.453) 1.117 5.787 ( -3.202 -2.108 -11.356) 11.986 9.893 ( -0.391 0.535 0.213) 0.696 9.951 ( 0.934 0.193 -0.936) 1.336 10.829 ( -0.999 -1.626 -1.286) 2.301 25.773 ( -4.272 -7.214 11.537) 14.262 ======================= Grid point 14 (9/146) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 7.313 10.699 23.891) 27.180 1.284 ( 11.335 19.997 -1.673) 23.047 1.800 ( -0.585 0.418 0.377) 0.812 1.906 ( 2.237 -3.121 1.757) 4.223 2.033 ( 11.110 10.182 2.613) 15.295 2.483 ( 18.953 22.522 -0.401) 29.439 2.828 ( 0.354 3.157 -2.797) 4.232 2.940 ( -6.878 -2.844 5.020) 8.977 3.003 ( 6.608 3.244 2.690) 7.837 3.387 ( -2.686 -7.035 -1.213) 7.627 3.546 ( -2.062 1.421 0.177) 2.510 3.810 ( 2.443 -0.626 0.062) 2.522 4.087 ( -1.965 -1.755 -0.582) 2.698 4.551 ( -2.644 0.939 0.700) 2.892 4.630 ( 1.217 -1.697 1.350) 2.486 4.729 ( 1.121 -1.341 -0.349) 1.782 5.629 ( -7.062 -5.497 -9.051) 12.728 9.893 ( -0.241 0.482 -0.096) 0.547 9.965 ( 0.853 0.046 -0.065) 0.857 10.787 ( -1.443 -1.497 -1.658) 2.659 25.666 ( -5.089 -5.611 6.736) 10.137 ======================= Grid point 15 (10/146) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 6.137 7.171 15.742) 18.355 1.588 ( 7.222 5.682 -4.209) 10.107 1.768 ( -0.229 7.336 4.147) 8.430 1.898 ( -0.929 -2.587 4.296) 5.100 2.324 ( 10.579 11.543 0.016) 15.657 2.723 ( -4.160 -1.780 -1.577) 4.792 2.767 ( -9.161 -1.785 2.867) 9.763 3.050 ( 12.217 9.564 0.316) 15.518 3.264 ( 12.646 8.556 -0.606) 15.281 3.303 ( 2.451 -0.781 -3.073) 4.007 3.533 ( -2.767 4.645 3.705) 6.554 3.836 ( 3.680 -1.353 0.219) 3.927 4.061 ( 1.094 -0.554 -1.520) 1.953 4.525 ( -1.341 0.164 0.582) 1.471 4.610 ( -1.642 -3.464 2.451) 4.550 4.739 ( 1.599 -1.460 0.460) 2.214 5.387 ( -10.709 -8.113 -7.914) 15.593 9.894 ( -0.145 0.383 -0.089) 0.419 9.978 ( 0.689 -0.013 0.068) 0.692 10.746 ( -1.267 -1.017 -1.555) 2.249 25.557 ( -4.609 -4.215 4.017) 7.426 ======================= Grid point 16 (11/146) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 3.307 1.940 6.166) 7.261 1.599 ( 0.518 -4.197 1.091) 4.367 1.872 ( -3.075 0.728 5.718) 6.533 1.996 ( 7.649 15.374 -1.287) 17.220 2.539 ( -1.945 -1.047 -3.039) 3.757 2.599 ( -4.904 5.123 6.575) 9.670 2.663 ( -0.840 4.246 -1.083) 4.462 3.050 ( -2.772 -8.207 -0.686) 8.690 3.398 ( -5.314 8.633 0.625) 10.157 3.458 ( 8.695 3.273 -10.521) 14.036 3.628 ( 2.317 2.886 8.643) 9.402 4.005 ( 14.569 5.779 -6.482) 16.961 4.128 ( 7.351 1.194 5.323) 9.154 4.506 ( -0.871 -3.299 2.520) 4.242 4.543 ( -2.633 -2.675 1.932) 4.222 4.751 ( 1.005 -0.607 0.494) 1.273 5.077 ( -12.862 -9.505 -6.695) 17.338 9.895 ( -0.117 0.303 0.117) 0.346 9.987 ( 0.451 -0.131 -0.164) 0.497 10.719 ( -0.630 -0.387 -0.922) 1.182 25.473 ( -2.833 -2.498 2.097) 4.320 ======================= Grid point 17 (12/146) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.380 -2.672 -1.588) 3.131 1.593 ( 1.083 -1.976 3.688) 4.322 1.848 ( -3.410 2.187 2.366) 4.692 2.203 ( -0.681 6.036 -0.927) 6.144 2.384 ( -6.185 5.469 0.541) 8.274 2.592 ( 0.517 -0.285 -0.204) 0.625 2.766 ( -5.098 7.505 -0.556) 9.090 2.955 ( 4.335 -6.067 1.336) 7.575 3.383 ( -5.764 9.436 0.297) 11.061 3.532 ( 2.948 1.126 -9.937) 10.426 3.667 ( -1.436 -2.028 10.677) 10.962 4.155 ( 3.768 -1.192 -11.434) 12.098 4.282 ( 0.729 -4.198 5.762) 7.166 4.454 ( -2.145 -4.282 2.738) 5.516 4.510 ( 0.094 -0.556 -0.117) 0.576 4.780 ( -2.153 1.368 -0.318) 2.571 4.859 ( 6.086 -1.405 0.423) 6.260 9.896 ( -0.140 0.255 0.403) 0.497 9.989 ( 0.158 -0.283 -0.515) 0.609 10.712 ( 0.220 0.167 -0.011) 0.276 25.437 ( -0.181 -0.717 0.586) 0.943 ======================= Grid point 18 (13/146) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -7.639 -2.549 -4.884) 9.418 1.613 ( 2.497 -1.799 3.444) 4.618 1.833 ( 0.582 0.304 -2.235) 2.330 2.019 ( -16.825 -0.857 2.574) 17.043 2.509 ( 0.231 11.316 -7.725) 13.703 2.580 ( -2.272 -3.214 2.416) 4.619 2.681 ( -0.622 2.734 1.939) 3.409 3.064 ( 7.329 -0.342 1.875) 7.572 3.390 ( -5.459 9.331 -1.228) 10.880 3.500 ( -4.519 -1.688 -6.202) 7.858 3.613 ( -6.117 -5.452 9.329) 12.417 3.973 ( -11.308 -8.444 -8.815) 16.639 4.147 ( -5.282 -5.836 5.397) 9.545 4.471 ( 6.021 -1.039 -3.412) 6.998 4.530 ( 1.239 1.573 -0.806) 2.158 4.748 ( -0.129 -1.374 -0.009) 1.380 5.142 ( 15.914 6.158 5.316) 17.872 9.898 ( -0.209 0.228 0.633) 0.704 9.984 ( -0.109 -0.402 -0.789) 0.892 10.728 ( 1.079 0.517 0.741) 1.407 25.458 ( 2.602 0.689 -0.652) 2.770 ======================= Grid point 19 (14/146) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -14.102 -3.080 -7.651) 16.337 1.642 ( -8.044 -2.499 5.504) 10.062 1.739 ( -5.886 0.538 -1.567) 6.115 1.867 ( 1.920 -0.019 -2.274) 2.976 2.306 ( -14.809 -2.689 -3.078) 15.363 2.719 ( 7.546 4.488 -0.831) 8.820 2.773 ( 4.108 4.551 2.547) 6.639 3.034 ( -20.745 -3.993 -1.993) 21.220 3.248 ( -8.108 -5.291 -2.856) 10.094 3.338 ( -4.393 -2.869 1.094) 5.359 3.522 ( -1.580 1.617 2.812) 3.608 3.819 ( -0.304 -1.657 -2.444) 2.968 4.081 ( -0.513 -1.770 1.851) 2.612 4.521 ( 1.348 0.706 -0.182) 1.532 4.582 ( 3.407 1.031 -2.838) 4.553 4.737 ( 0.656 -2.081 0.028) 2.182 5.458 ( 13.480 4.462 4.964) 15.042 9.898 ( -0.303 0.200 0.678) 0.770 9.973 ( -0.261 -0.423 -0.817) 0.956 10.761 ( 1.767 0.616 0.991) 2.117 25.525 ( 4.697 1.343 -1.595) 5.139 ======================= Grid point 20 (15/146) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -17.398 -2.942 -7.227) 19.068 1.306 ( -24.009 -1.260 2.256) 24.148 1.810 ( 2.831 0.408 0.810) 2.973 1.881 ( 0.455 -1.011 -2.271) 2.527 2.006 ( -15.445 -5.789 -1.972) 16.612 2.481 ( -30.306 -2.608 -1.159) 30.440 2.860 ( 0.556 1.903 3.119) 3.696 2.901 ( 5.355 2.707 -1.834) 6.274 2.981 ( -9.292 -4.861 -1.437) 10.585 3.397 ( 7.255 -1.299 0.504) 7.388 3.547 ( 0.686 2.014 0.354) 2.156 3.802 ( -1.464 -0.299 -1.435) 2.072 4.093 ( 1.894 0.149 0.689) 2.021 4.548 ( 0.386 2.404 0.291) 2.452 4.614 ( 1.639 -1.336 -1.562) 2.629 4.732 ( 0.553 -1.240 0.122) 1.363 5.698 ( 9.951 2.289 3.506) 10.796 9.896 ( -0.364 0.137 0.457) 0.600 9.963 ( -0.262 -0.295 -0.493) 0.631 10.801 ( 2.076 0.441 0.682) 2.229 25.616 ( 5.445 1.073 -1.930) 5.876 ======================= Grid point 21 (16/146) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -18.541 0.000 0.000) 18.541 0.887 ( -26.360 0.000 0.000) 26.360 1.463 ( -37.048 0.000 0.000) 37.048 1.832 ( -5.317 0.000 0.000) 5.317 1.834 ( -9.069 0.000 0.000) 9.069 2.226 ( 1.407 -0.000 -0.000) 1.407 2.668 ( -12.233 0.000 0.000) 12.233 3.016 ( 6.933 -0.000 -0.000) 6.933 3.022 ( 5.275 -0.000 -0.000) 5.275 3.502 ( 5.890 -0.000 -0.000) 5.890 3.572 ( 1.022 -0.000 -0.000) 1.022 3.740 ( -5.251 0.000 0.000) 5.251 4.136 ( 2.559 -0.000 -0.000) 2.559 4.572 ( 0.378 -0.000 -0.000) 0.378 4.621 ( 1.504 -0.000 -0.000) 1.504 4.724 ( -1.107 0.000 0.000) 1.107 5.851 ( 6.492 -0.000 -0.000) 6.492 9.892 ( -0.320 0.000 0.000) 0.320 9.957 ( -0.171 0.000 0.000) 0.171 10.838 ( 1.837 -0.000 -0.000) 1.837 25.702 ( 4.606 -0.000 -0.000) 4.606 ======================= Grid point 24 (17/146) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 13.168 28.410) 31.313 1.052 ( -0.000 24.031 4.981) 24.542 1.606 ( -0.000 25.705 1.768) 25.766 1.820 ( -0.000 10.073 -6.160) 11.807 1.906 ( 0.000 8.797 3.750) 9.563 2.189 ( -0.000 0.499 -1.284) 1.377 2.769 ( -0.000 12.375 2.338) 12.594 3.010 ( 0.000 -6.302 4.248) 7.600 3.044 ( 0.000 -6.707 5.772) 8.849 3.501 ( -0.000 -5.221 -1.812) 5.526 3.516 ( -0.000 -0.463 -2.168) 2.217 3.712 ( -0.000 3.486 -2.461) 4.267 4.156 ( 0.000 -3.348 1.903) 3.851 4.542 ( 0.000 -1.288 0.256) 1.313 4.637 ( 0.000 -1.936 0.573) 2.019 4.730 ( -0.000 1.498 -0.277) 1.523 5.754 ( -0.000 -3.166 -10.784) 11.239 9.907 ( 0.000 0.539 1.041) 1.172 9.938 ( -0.000 0.361 -1.644) 1.683 10.815 ( -0.000 -2.034 -1.277) 2.402 25.771 ( 0.000 -8.911 10.743) 13.958 ======================= Grid point 25 (18/146) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 2.493 11.079 20.951) 23.830 1.349 ( 5.884 21.697 1.158) 22.511 1.811 ( 3.453 6.175 6.112) 9.349 1.872 ( -1.950 -1.135 -0.269) 2.272 2.005 ( 5.629 8.724 1.897) 10.554 2.419 ( 13.390 23.853 -3.415) 27.567 2.883 ( -2.520 5.333 -1.060) 5.993 2.943 ( -0.028 -4.341 4.435) 6.206 3.024 ( 1.061 0.721 6.186) 6.318 3.384 ( -4.303 -5.252 -1.505) 6.955 3.560 ( 2.193 2.460 -0.250) 3.305 3.747 ( 2.289 -0.248 -3.255) 3.987 4.107 ( -2.603 -2.121 -0.023) 3.358 4.568 ( 3.432 -1.259 1.146) 3.831 4.601 ( -1.617 -2.351 1.044) 3.038 4.725 ( -1.614 0.411 -0.534) 1.749 5.639 ( -4.341 -5.891 -9.269) 11.809 9.907 ( -0.700 0.616 0.332) 0.990 9.948 ( 1.083 0.098 -0.629) 1.256 10.784 ( -0.763 -1.886 -1.485) 2.519 25.698 ( -2.940 -7.644 7.740) 11.268 ======================= Grid point 26 (19/146) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.706 6.145 11.095) 13.213 1.569 ( 1.106 7.637 -5.348) 9.388 1.860 ( 1.631 6.390 6.548) 9.294 1.916 ( 0.594 3.290 13.456) 13.865 2.262 ( 10.561 12.091 -0.252) 16.056 2.747 ( -0.829 -1.224 -1.859) 2.375 2.842 ( 0.464 -0.264 1.869) 1.944 2.967 ( 7.862 10.121 -4.191) 13.484 3.206 ( 7.193 13.029 2.345) 15.066 3.273 ( -1.736 -3.206 0.079) 3.646 3.627 ( -0.292 6.940 4.221) 8.128 3.747 ( 2.356 -3.951 -4.406) 6.370 4.051 ( -1.474 -1.067 -1.403) 2.297 4.550 ( -1.712 -3.477 2.512) 4.618 4.599 ( 0.391 -2.259 0.241) 2.305 4.706 ( 0.250 -0.106 0.569) 0.630 5.436 ( -8.126 -8.564 -7.978) 14.249 9.903 ( -0.471 0.553 0.094) 0.732 9.964 ( 0.949 -0.071 -0.247) 0.983 10.748 ( -0.949 -1.303 -1.489) 2.195 25.598 ( -3.932 -5.809 5.101) 8.673 ======================= Grid point 27 (20/146) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 1.571 1.396 1.616) 2.651 1.553 ( 0.780 -3.327 -0.018) 3.417 1.985 ( -2.194 6.235 10.912) 12.758 2.069 ( 3.378 14.982 7.245) 16.981 2.483 ( 4.239 2.317 -1.769) 5.145 2.696 ( -0.309 0.366 -0.917) 1.034 2.767 ( -4.042 0.316 3.982) 5.683 3.090 ( -5.236 2.661 -2.429) 6.356 3.289 ( 9.821 3.266 -8.455) 13.364 3.496 ( 3.815 9.934 -0.021) 10.641 3.706 ( -1.908 4.904 9.249) 10.641 3.796 ( 11.640 3.230 -6.876) 13.899 4.054 ( 3.598 0.495 1.499) 3.929 4.483 ( -1.475 -7.840 3.490) 8.707 4.563 ( -1.633 -0.197 -0.621) 1.758 4.724 ( 1.175 -1.051 1.639) 2.274 5.158 ( -11.108 -10.363 -6.793) 16.641 9.903 ( -0.290 0.469 0.246) 0.604 9.975 ( 0.684 -0.221 -0.378) 0.812 10.721 ( -0.610 -0.569 -1.077) 1.363 25.505 ( -3.381 -3.782 3.034) 5.911 ======================= Grid point 28 (21/146) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 1.343 -3.611 -2.571) 4.632 1.580 ( 1.003 -0.335 3.799) 3.943 2.001 ( -7.349 5.282 8.537) 12.441 2.268 ( 2.000 11.979 0.456) 12.153 2.464 ( -0.247 -4.703 -1.054) 4.826 2.613 ( -4.214 -1.643 0.754) 4.586 2.891 ( 2.968 11.963 2.171) 12.515 2.978 ( -8.980 2.074 -1.263) 9.303 3.431 ( 6.785 2.730 -9.187) 11.743 3.537 ( -3.357 5.650 -0.582) 6.598 3.727 ( -2.522 -0.203 10.679) 10.975 3.996 ( 9.357 2.373 -12.239) 15.587 4.202 ( 6.452 0.418 4.637) 7.956 4.419 ( 3.003 -5.704 4.520) 7.873 4.533 ( -3.420 -2.517 1.767) 4.600 4.739 ( 3.499 -1.026 -0.202) 3.651 4.865 ( -8.933 -7.017 -4.079) 12.069 9.904 ( -0.208 0.408 0.504) 0.682 9.979 ( 0.391 -0.359 -0.648) 0.837 10.711 ( 0.025 0.014 -0.392) 0.393 25.444 ( -1.616 -1.844 1.450) 2.848 ======================= Grid point 29 (22/146) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 0.335 -2.355 -2.320) 3.323 1.596 ( 0.161 -0.726 4.162) 4.228 1.908 ( -9.177 2.048 0.809) 9.438 2.259 ( -10.319 1.320 -0.561) 10.418 2.489 ( 4.958 0.884 0.900) 5.116 2.609 ( 2.523 2.858 0.127) 3.814 2.811 ( -12.312 3.326 -3.309) 13.176 3.048 ( 2.031 8.330 3.809) 9.382 3.492 ( 1.262 3.607 -9.742) 10.465 3.544 ( -2.803 5.718 1.478) 6.537 3.682 ( -4.668 -5.827 11.160) 13.428 4.020 ( -4.108 -1.447 -10.589) 11.450 4.199 ( -5.122 -7.698 3.771) 9.986 4.353 ( 0.216 -5.679 -0.542) 5.709 4.507 ( 3.455 0.426 -0.435) 3.508 4.741 ( -1.105 -2.740 0.189) 2.961 4.941 ( 15.354 4.374 2.531) 16.164 9.906 ( -0.216 0.348 0.659) 0.776 9.977 ( 0.105 -0.419 -0.793) 0.903 10.718 ( 0.752 0.288 0.196) 0.829 25.430 ( 0.817 -0.391 0.318) 0.960 ======================= Grid point 30 (23/146) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( -9.256 -0.924 -2.003) 9.516 1.623 ( 2.591 -0.256 3.576) 4.424 1.802 ( -2.811 -0.806 -2.899) 4.118 2.044 ( -16.186 1.146 0.659) 16.240 2.508 ( -8.371 -2.767 -0.043) 8.817 2.662 ( 0.145 6.068 -3.231) 6.876 2.730 ( 4.985 1.100 1.168) 5.237 3.155 ( 2.006 4.801 3.217) 6.118 3.442 ( -10.053 0.448 -4.721) 11.116 3.474 ( -15.176 0.260 -1.805) 15.285 3.563 ( -3.578 -4.657 6.116) 8.479 3.818 ( -5.360 -2.204 -3.378) 6.708 4.078 ( -1.289 -3.266 1.731) 3.915 4.435 ( 7.778 -0.550 -1.299) 7.905 4.555 ( 1.741 1.292 -0.606) 2.251 4.712 ( -0.166 -1.816 0.163) 1.831 5.255 ( 16.450 2.403 2.153) 16.763 9.907 ( -0.291 0.221 0.504) 0.623 9.970 ( -0.117 -0.309 -0.590) 0.676 10.741 ( 1.438 0.261 0.356) 1.505 25.464 ( 3.199 0.260 -0.272) 3.221 ======================= Grid point 31 (24/146) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -16.430 0.000 0.000) 16.430 1.672 ( -17.840 0.000 0.000) 17.840 1.709 ( 6.611 -0.000 -0.000) 6.611 1.862 ( -1.516 0.000 0.000) 1.516 2.258 ( -16.935 0.000 0.000) 16.935 2.767 ( 7.309 -0.000 -0.000) 7.309 2.831 ( 5.431 -0.000 -0.000) 5.431 3.007 ( -32.217 0.000 0.000) 32.217 3.178 ( -11.001 0.000 0.000) 11.001 3.295 ( 1.564 -0.000 -0.000) 1.564 3.548 ( 0.171 -0.000 -0.000) 0.171 3.801 ( 1.021 -0.000 -0.000) 1.021 4.069 ( 0.946 -0.000 -0.000) 0.946 4.532 ( 4.004 -0.000 -0.000) 4.004 4.582 ( 1.002 -0.000 -0.000) 1.002 4.708 ( 0.953 -0.000 -0.000) 0.953 5.520 ( 13.665 -0.000 -0.000) 13.665 9.904 ( -0.367 0.000 0.000) 0.367 9.964 ( -0.231 0.000 0.000) 0.231 10.771 ( 1.941 -0.000 -0.000) 1.941 25.532 ( 4.848 -0.000 -0.000) 4.848 ======================= Grid point 36 (25/146) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 0.000 7.385 10.946) 13.204 1.509 ( -0.000 20.879 2.243) 20.999 1.859 ( 0.000 -0.129 6.824) 6.825 1.952 ( 0.000 0.253 13.017) 13.019 1.969 ( -0.000 10.217 -6.303) 12.005 2.557 ( -0.000 29.176 -3.160) 29.347 2.920 ( 0.000 -7.054 4.781) 8.521 2.926 ( 0.000 -6.557 6.334) 9.117 3.034 ( -0.000 9.309 -1.725) 9.467 3.364 ( -0.000 -7.125 -2.719) 7.626 3.570 ( -0.000 7.338 -0.533) 7.358 3.741 ( -0.000 3.197 -2.150) 3.853 4.117 ( 0.000 -1.314 -0.042) 1.314 4.523 ( 0.000 -0.982 -0.005) 0.982 4.583 ( 0.000 -4.588 1.743) 4.908 4.751 ( -0.000 0.945 0.007) 0.946 5.579 ( -0.000 -7.786 -8.899) 11.824 9.925 ( 0.000 0.528 1.072) 1.195 9.932 ( -0.000 0.190 -1.337) 1.351 10.766 ( -0.000 -1.888 -1.382) 2.340 25.674 ( 0.000 -7.733 6.792) 10.292 ======================= Grid point 37 (26/146) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 1.880 3.808 4.048) 5.867 1.650 ( -5.038 6.096 -4.642) 9.170 1.863 ( 5.280 5.393 4.078) 8.578 2.053 ( -0.058 9.079 21.279) 23.135 2.182 ( 11.188 9.483 -0.785) 14.687 2.774 ( -6.043 -2.065 1.967) 6.682 2.810 ( 2.391 0.137 1.852) 3.027 2.973 ( 3.975 12.519 -3.269) 13.535 3.171 ( 8.788 4.599 0.718) 9.945 3.272 ( -1.856 -4.853 -2.009) 5.570 3.640 ( 1.927 0.973 -4.427) 4.926 3.787 ( -2.141 12.115 3.091) 12.686 4.077 ( -2.978 -0.388 -1.277) 3.263 4.533 ( -0.885 -5.623 2.958) 6.415 4.546 ( 2.869 -1.678 -0.078) 3.324 4.741 ( -2.036 1.200 0.405) 2.398 5.425 ( -4.576 -10.134 -8.044) 13.724 9.918 ( -0.687 0.439 -0.113) 0.824 9.947 ( 0.941 0.099 -0.089) 0.950 10.741 ( -0.436 -1.416 -1.288) 1.963 25.609 ( -2.112 -6.286 5.018) 8.316 ======================= Grid point 38 (27/146) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.835 1.468 1.567) 3.556 1.538 ( -4.630 -2.221 -3.557) 6.247 2.069 ( 5.308 9.926 2.610) 11.554 2.223 ( -0.784 10.274 21.279) 23.643 2.452 ( 7.139 7.725 -1.999) 10.707 2.644 ( 0.627 -5.749 1.023) 5.873 2.787 ( -1.649 -4.196 1.790) 4.850 3.173 ( 5.751 11.104 -6.173) 13.945 3.198 ( -2.187 -1.964 -0.737) 3.030 3.437 ( 13.988 7.758 -1.987) 16.118 3.622 ( 1.238 -2.795 -7.132) 7.760 3.905 ( -3.316 13.688 9.637) 17.066 4.034 ( -0.341 1.436 -3.019) 3.360 4.453 ( -2.756 -7.161 3.394) 8.391 4.566 ( 1.038 -1.126 -0.366) 1.574 4.728 ( -1.205 0.971 1.528) 2.175 5.186 ( -8.038 -12.090 -6.954) 16.098 9.913 ( -0.394 0.423 0.088) 0.585 9.960 ( 0.716 -0.121 -0.253) 0.769 10.719 ( -0.404 -0.723 -0.988) 1.289 25.531 ( -2.896 -4.220 3.185) 6.028 ======================= Grid point 39 (28/146) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -0.853 -3.251 -2.770) 4.356 1.576 ( 1.869 1.832 2.204) 3.421 2.195 ( -2.651 6.511 6.753) 9.748 2.354 ( 0.320 5.825 8.786) 10.547 2.430 ( -4.388 -0.635 -2.890) 5.293 2.651 ( -2.136 -3.623 1.120) 4.352 2.874 ( 10.424 5.939 0.039) 11.997 3.136 ( -5.136 1.373 -1.237) 5.458 3.336 ( 6.041 7.009 -3.978) 10.072 3.594 ( 0.096 1.922 -1.593) 2.498 3.687 ( 9.919 -0.409 -6.286) 11.750 3.950 ( -2.696 4.483 4.262) 6.747 4.142 ( 7.002 7.238 2.315) 10.333 4.345 ( -2.677 -6.528 2.487) 7.481 4.561 ( -1.434 -1.159 1.336) 2.277 4.716 ( -1.162 -0.583 0.784) 1.518 4.907 ( -8.045 -10.687 -5.260) 14.373 9.913 ( -0.221 0.372 0.353) 0.558 9.966 ( 0.476 -0.267 -0.484) 0.730 10.709 ( -0.051 -0.158 -0.501) 0.527 25.464 ( -2.389 -2.182 1.629) 3.623 ======================= Grid point 40 (29/146) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.864 -1.674 -1.224) 2.788 1.610 ( -0.073 0.708 1.666) 1.812 2.130 ( -12.191 2.599 3.700) 13.002 2.355 ( -1.802 -1.668 -2.131) 3.251 2.425 ( 1.923 1.201 0.710) 2.375 2.613 ( -0.838 0.870 1.944) 2.289 3.028 ( -8.636 3.344 -2.550) 9.605 3.073 ( 5.147 3.719 2.045) 6.671 3.464 ( 3.546 6.051 -4.820) 8.510 3.617 ( -0.425 2.878 0.869) 3.036 3.711 ( -1.311 -6.766 2.581) 7.360 4.000 ( 3.841 3.085 -1.467) 5.140 4.229 ( -4.403 4.075 -1.208) 6.120 4.386 ( 5.038 -2.774 3.403) 6.683 4.399 ( -6.091 -9.195 -1.060) 11.080 4.726 ( 1.024 -0.152 0.465) 1.134 4.793 ( 4.703 -0.343 -0.818) 4.786 9.915 ( -0.167 0.248 0.387) 0.489 9.968 ( 0.250 -0.248 -0.464) 0.582 10.711 ( 0.433 0.076 -0.080) 0.447 25.427 ( -0.871 -0.669 0.518) 1.214 ======================= Grid point 41 (30/146) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.767 -0.000 -0.000) 0.767 1.609 ( -0.131 0.000 0.000) 0.131 1.929 ( -12.400 0.000 0.000) 12.400 2.266 ( -9.234 0.000 0.000) 9.234 2.478 ( 4.237 -0.000 -0.000) 4.237 2.650 ( 4.046 -0.000 -0.000) 4.046 2.851 ( -13.193 0.000 0.000) 13.193 3.159 ( 1.908 -0.000 -0.000) 1.908 3.530 ( 1.627 -0.000 -0.000) 1.627 3.586 ( -7.227 0.000 0.000) 7.227 3.631 ( -1.848 0.000 0.000) 1.848 4.027 ( -19.076 0.000 0.000) 19.076 4.070 ( 0.802 -0.000 -0.000) 0.802 4.295 ( 6.669 -0.000 -0.000) 6.669 4.511 ( 4.560 -0.000 -0.000) 4.560 4.713 ( -0.850 0.000 0.000) 0.850 4.996 ( 16.073 -0.000 -0.000) 16.073 9.914 ( -0.215 0.000 0.000) 0.215 9.968 ( 0.052 -0.000 -0.000) 0.052 10.722 ( 0.951 -0.000 -0.000) 0.951 25.427 ( 1.183 -0.000 -0.000) 1.183 ======================= Grid point 48 (31/146) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 0.000 2.910 1.144) 3.127 1.759 ( 0.000 -7.038 0.157) 7.040 1.843 ( -0.000 13.675 -4.071) 14.268 2.132 ( -0.000 10.216 0.264) 10.219 2.253 ( 0.000 10.116 22.861) 24.999 2.764 ( 0.000 -7.304 5.293) 9.020 2.846 ( 0.000 -6.651 4.768) 8.183 3.065 ( -0.000 19.097 -3.375) 19.393 3.105 ( -0.000 3.910 -6.547) 7.626 3.214 ( 0.000 -6.166 -1.834) 6.433 3.618 ( -0.000 -0.547 -4.609) 4.641 3.954 ( -0.000 15.689 1.758) 15.787 4.110 ( 0.000 0.864 0.690) 1.105 4.502 ( -0.000 -1.049 -0.467) 1.148 4.510 ( 0.000 -3.581 3.928) 5.316 4.768 ( 0.000 0.666 0.348) 0.751 5.328 ( -0.000 -12.328 -7.801) 14.589 9.927 ( -0.000 0.095 -0.957) 0.962 9.941 ( 0.000 0.362 0.775) 0.856 10.728 ( -0.000 -1.176 -1.058) 1.582 25.586 ( 0.000 -5.362 3.987) 6.682 ======================= Grid point 49 (32/146) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 1.079 2.545 0.167) 2.769 1.604 ( -7.065 -3.608 -1.538) 8.081 2.037 ( 8.774 7.298 -2.205) 11.624 2.324 ( 9.729 8.301 2.204) 12.978 2.419 ( 0.046 8.678 16.684) 18.806 2.664 ( -5.669 -5.223 3.935) 8.654 2.787 ( -1.702 -4.119 3.514) 5.675 3.117 ( 5.972 -5.337 -3.233) 8.637 3.165 ( 1.145 1.165 -3.581) 3.936 3.323 ( 7.606 13.534 -4.387) 16.132 3.586 ( -0.196 -1.354 -4.558) 4.759 4.060 ( -0.943 6.253 -5.501) 8.381 4.105 ( -3.641 4.250 8.963) 10.567 4.484 ( -2.763 0.392 3.167) 4.221 4.527 ( 1.884 1.580 0.968) 2.642 4.766 ( -1.101 0.812 0.637) 1.509 5.137 ( -4.291 -14.372 -7.082) 16.586 9.922 ( -0.256 0.172 -0.361) 0.475 9.950 ( 0.416 0.102 0.225) 0.484 10.714 ( -0.148 -0.672 -0.743) 1.013 25.541 ( -1.601 -3.530 2.527) 4.627 ======================= Grid point 50 (33/146) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -3.994 -1.759 -1.796) 4.720 1.567 ( 1.900 1.510 1.088) 2.659 2.201 ( 5.190 2.522 -0.199) 5.773 2.495 ( -3.997 4.337 7.228) 9.329 2.534 ( -1.372 5.182 0.556) 5.390 2.584 ( 3.892 -4.412 3.603) 6.899 2.756 ( 3.803 0.386 -0.092) 3.824 3.148 ( 1.449 -1.299 -0.838) 2.118 3.250 ( 10.229 -0.628 -1.219) 10.320 3.521 ( 6.525 5.824 -7.134) 11.287 3.586 ( 2.568 0.723 -0.335) 2.689 4.043 ( -3.102 3.406 -1.836) 4.959 4.116 ( 0.451 -2.602 5.577) 6.171 4.445 ( -5.720 4.206 1.646) 7.289 4.587 ( -0.762 5.655 2.656) 6.294 4.750 ( -1.980 0.460 0.522) 2.099 4.883 ( -5.847 -14.194 -5.737) 16.388 9.920 ( -0.145 0.164 0.027) 0.221 9.957 ( 0.366 -0.068 -0.102) 0.386 10.706 ( -0.045 -0.202 -0.340) 0.398 25.491 ( -2.302 -1.529 1.090) 2.971 ======================= Grid point 51 (34/146) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.586 0.000 0.000) 0.586 1.608 ( 1.397 -0.000 -0.000) 1.397 2.263 ( 1.072 -0.000 -0.000) 1.072 2.410 ( -9.740 0.000 0.000) 9.740 2.457 ( -3.976 0.000 0.000) 3.976 2.630 ( 0.802 -0.000 -0.000) 0.802 2.933 ( 12.338 -0.000 -0.000) 12.338 3.132 ( -2.699 0.000 0.000) 2.699 3.414 ( 7.483 -0.000 -0.000) 7.483 3.623 ( 5.313 -0.000 -0.000) 5.313 3.631 ( 1.423 -0.000 -0.000) 1.423 4.003 ( -2.572 0.000 0.000) 2.572 4.194 ( 10.011 -0.000 -0.000) 10.011 4.372 ( -7.079 0.000 0.000) 7.079 4.525 ( -10.208 0.000 0.000) 10.208 4.736 ( -0.665 0.000 0.000) 0.665 4.738 ( -0.115 0.000 0.000) 0.115 9.919 ( -0.114 0.000 0.000) 0.114 9.961 ( 0.313 -0.000 -0.000) 0.313 10.706 ( 0.168 -0.000 -0.000) 0.168 25.449 ( -2.016 0.000 0.000) 2.016 ======================= Grid point 61 (35/146) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -0.000 3.269 0.488) 3.306 1.637 ( 0.000 -5.056 -0.506) 5.081 1.968 ( -0.000 3.792 -3.468) 5.138 2.343 ( 0.000 8.168 2.871) 8.658 2.519 ( 0.000 3.559 5.147) 6.258 2.734 ( 0.000 -5.989 0.277) 5.996 2.746 ( 0.000 0.475 14.632) 14.640 2.999 ( -0.000 -3.527 -10.835) 11.394 3.127 ( 0.000 -2.147 -0.072) 2.148 3.389 ( -0.000 12.240 -0.481) 12.249 3.547 ( -0.000 -3.499 -4.345) 5.578 4.103 ( -0.000 4.425 -5.391) 6.975 4.169 ( 0.000 -2.588 7.158) 7.611 4.483 ( -0.000 -0.488 -0.285) 0.565 4.637 ( 0.000 14.169 5.671) 15.262 4.779 ( 0.000 0.252 0.200) 0.322 5.001 ( -0.000 -16.167 -6.791) 17.535 9.923 ( -0.000 0.026 -0.354) 0.355 9.949 ( 0.000 0.126 0.280) 0.307 10.708 ( -0.000 -0.372 -0.396) 0.543 25.535 ( 0.000 -1.919 1.334) 2.337 ======================= Grid point 62 (36/146) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -6.551 0.000 0.000) 6.551 1.547 ( 1.311 -0.000 -0.000) 1.311 2.090 ( 9.731 -0.000 -0.000) 9.731 2.422 ( 4.681 -0.000 -0.000) 4.681 2.568 ( 2.442 -0.000 -0.000) 2.442 2.654 ( -5.344 0.000 0.000) 5.344 2.765 ( -3.010 0.000 0.000) 3.010 3.024 ( 8.859 -0.000 -0.000) 8.859 3.138 ( 2.232 -0.000 -0.000) 2.232 3.487 ( 1.873 -0.000 -0.000) 1.873 3.527 ( 3.417 -0.000 -0.000) 3.417 4.104 ( -1.220 0.000 0.000) 1.220 4.132 ( -3.404 0.000 0.000) 3.404 4.489 ( 0.508 -0.000 -0.000) 0.508 4.746 ( -3.695 0.000 0.000) 3.695 4.783 ( -0.828 0.000 0.000) 0.828 4.815 ( -3.268 0.000 0.000) 3.268 9.922 ( -0.056 0.000 0.000) 0.056 9.952 ( 0.182 -0.000 -0.000) 0.182 10.705 ( -0.033 0.000 0.000) 0.033 25.516 ( -1.422 0.000 0.000) 1.422 ======================= Grid point 137 (37/146) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.177 ( 0.000 -0.000 16.208) 16.208 0.177 ( 0.000 -0.000 16.208) 16.208 0.572 ( 0.000 -0.000 51.559) 51.559 1.618 ( -0.000 0.000 -4.254) 4.254 1.618 ( -0.000 0.000 -4.254) 4.254 2.372 ( -0.000 0.000 -0.035) 0.035 2.810 ( 0.000 -0.000 1.245) 1.245 3.143 ( 0.000 -0.000 2.690) 2.690 3.143 ( 0.000 -0.000 2.690) 2.690 3.581 ( 0.000 -0.000 1.018) 1.018 3.595 ( -0.000 0.000 -1.131) 1.131 3.595 ( -0.000 0.000 -1.131) 1.131 4.616 ( 0.000 0.000 -0.182) 0.182 4.616 ( -0.000 0.000 -0.182) 0.182 4.654 ( 0.000 -0.000 0.085) 0.085 4.654 ( -0.000 -0.000 0.085) 0.085 5.313 ( -0.000 0.000 -10.273) 10.273 9.888 ( 0.000 -0.000 0.408) 0.408 9.888 ( 0.000 -0.000 0.408) 0.408 10.879 ( 0.000 -0.000 1.373) 1.373 26.381 ( -0.000 0.000 -0.015) 0.015 ======================= Grid point 138 (38/146) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 19.899 11.489 4.413) 23.397 0.703 ( 12.499 7.216 27.926) 31.435 1.022 ( 30.394 17.548 20.951) 40.874 1.677 ( 6.573 3.795 -4.752) 8.955 1.715 ( 9.076 5.240 -3.880) 11.176 2.301 ( -5.642 -3.257 0.232) 6.519 2.662 ( -3.386 -1.955 10.494) 11.198 3.116 ( -4.261 -2.460 2.510) 5.524 3.118 ( -3.594 -2.075 3.962) 5.737 3.560 ( -0.853 -0.493 -2.240) 2.447 3.564 ( -1.984 -1.145 -1.979) 3.027 3.693 ( 6.014 3.472 2.186) 7.280 4.254 ( -10.091 -5.826 8.354) 14.337 4.581 ( -2.159 -1.247 0.340) 2.516 4.651 ( -0.144 -0.083 -0.310) 0.352 4.691 ( 2.266 1.308 -0.285) 2.632 5.677 ( 8.850 5.109 -24.841) 26.860 9.887 ( -0.059 -0.034 0.224) 0.235 9.935 ( 1.868 1.078 -1.665) 2.724 10.853 ( -1.852 -1.069 0.320) 2.162 26.004 ( -15.763 -9.101 20.073) 27.097 ======================= Grid point 139 (39/146) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 19.584 11.307 0.702) 22.625 1.034 ( 9.419 5.438 28.705) 30.696 1.694 ( 17.585 10.153 3.537) 20.611 1.860 ( 11.306 6.527 -4.198) 13.713 1.932 ( 9.575 5.528 5.451) 12.327 2.221 ( 4.876 2.815 1.063) 5.729 2.730 ( 6.224 3.594 0.359) 7.196 3.018 ( -6.870 -3.966 4.890) 9.319 3.031 ( -3.120 -1.801 4.015) 5.395 3.494 ( -3.708 -2.141 -2.323) 4.871 3.526 ( -1.654 -0.955 -1.017) 2.164 3.807 ( 3.113 1.797 2.218) 4.224 4.127 ( -4.239 -2.447 1.013) 4.998 4.542 ( -1.462 -0.844 0.275) 1.711 4.652 ( 0.247 0.143 0.324) 0.432 4.733 ( 1.500 0.866 -0.168) 1.740 5.648 ( -2.907 -1.678 -15.300) 15.664 9.887 ( 0.037 0.021 0.144) 0.151 9.959 ( 0.947 0.547 -0.629) 1.261 10.808 ( -2.056 -1.187 -1.081) 2.609 25.806 ( -9.146 -5.280 11.124) 15.339 ======================= Grid point 140 (40/146) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 7.882 4.551 20.174) 22.132 1.368 ( 17.695 10.216 -1.528) 20.490 1.779 ( -3.926 -2.266 3.353) 5.638 1.976 ( -2.856 -1.649 6.374) 7.176 2.123 ( 13.374 7.721 -3.170) 15.765 2.663 ( 15.558 8.982 -0.439) 17.970 2.842 ( 10.158 5.865 0.353) 11.735 2.859 ( -9.202 -5.313 5.509) 11.969 3.123 ( 11.116 6.418 0.010) 12.836 3.385 ( -5.467 -3.156 -2.020) 6.628 3.487 ( -1.527 -0.882 1.706) 2.454 3.850 ( 0.949 0.548 0.772) 1.341 4.066 ( -1.046 -0.604 -1.250) 1.739 4.520 ( -0.645 -0.372 -0.056) 0.747 4.658 ( -0.606 -0.350 2.731) 2.819 4.755 ( 0.566 0.327 0.073) 0.658 5.473 ( -8.411 -4.856 -11.390) 14.968 9.889 ( 0.080 0.046 0.207) 0.226 9.975 ( 0.653 0.377 -0.366) 0.838 10.760 ( -1.775 -1.025 -1.546) 2.568 25.659 ( -7.303 -4.216 6.432) 10.606 ======================= Grid point 141 (41/146) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 4.736 2.734 9.942) 11.347 1.692 ( -4.251 -2.454 4.065) 6.373 1.723 ( 15.548 8.977 -3.043) 18.209 1.925 ( -4.103 -2.369 8.994) 10.166 2.401 ( 12.399 7.159 -3.402) 14.716 2.662 ( -10.609 -6.125 6.834) 14.027 2.665 ( -3.412 -1.970 -2.013) 4.424 3.206 ( 9.259 5.346 0.084) 10.692 3.244 ( -6.703 -3.870 -1.277) 7.844 3.354 ( 7.639 4.411 -6.361) 10.875 3.561 ( 8.954 5.170 5.652) 11.784 3.903 ( 5.858 3.382 -3.891) 7.804 4.102 ( 5.096 2.942 3.413) 6.802 4.511 ( -0.097 -0.056 -0.409) 0.424 4.629 ( -3.462 -1.999 4.575) 6.076 4.761 ( -0.041 -0.024 0.312) 0.315 5.205 ( -12.316 -7.111 -9.010) 16.836 9.892 ( 0.079 0.046 0.408) 0.419 9.985 ( 0.414 0.239 -0.546) 0.726 10.724 ( -0.985 -0.568 -1.228) 1.674 25.538 ( -5.241 -3.026 3.694) 7.090 ======================= Grid point 142 (42/146) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.044 -0.025 3.608) 3.609 1.629 ( -1.696 -0.979 1.376) 2.393 1.871 ( -3.817 -2.204 9.224) 10.223 2.024 ( 12.810 7.396 -4.160) 15.365 2.420 ( -10.749 -6.206 2.764) 12.715 2.602 ( -1.201 -0.693 -1.183) 1.823 2.638 ( 6.429 3.712 0.875) 7.475 3.105 ( -4.658 -2.689 0.036) 5.379 3.253 ( -1.077 -0.622 1.563) 1.997 3.463 ( 4.692 2.709 -9.666) 11.081 3.713 ( 1.539 0.889 8.882) 9.058 4.062 ( 8.805 5.084 -13.407) 16.826 4.313 ( 7.454 4.304 8.286) 11.947 4.510 ( 0.140 0.081 -0.559) 0.582 4.547 ( -5.015 -2.896 5.775) 8.179 4.759 ( -0.180 -0.104 0.420) 0.469 4.917 ( -8.100 -4.677 -5.457) 10.829 9.896 ( 0.041 0.024 0.688) 0.689 9.988 ( 0.134 0.077 -0.889) 0.903 10.710 ( 0.002 0.001 -0.431) 0.431 25.463 ( -2.427 -1.401 1.897) 3.384 ======================= Grid point 143 (43/146) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -6.419 -3.706 -1.532) 7.568 1.648 ( 0.516 0.298 5.095) 5.130 1.832 ( -1.083 -0.625 2.506) 2.801 2.108 ( -10.790 -6.230 2.567) 12.721 2.314 ( 6.735 3.888 -5.308) 9.416 2.616 ( 2.570 1.484 0.004) 2.968 2.660 ( -4.199 -2.424 2.196) 5.323 3.110 ( 4.966 2.867 0.459) 5.753 3.235 ( -0.803 -0.463 -0.099) 0.932 3.489 ( 0.244 0.141 -7.717) 7.722 3.725 ( -3.761 -2.171 10.148) 11.038 4.064 ( -6.835 -3.946 -12.424) 14.719 4.281 ( -9.209 -5.317 4.549) 11.566 4.464 ( 0.438 0.253 -1.275) 1.372 4.512 ( 0.171 0.099 -0.423) 0.467 4.758 ( -0.048 -0.028 0.328) 0.332 5.025 ( 14.054 8.114 4.310) 16.791 9.899 ( -0.038 -0.022 0.940) 0.941 9.985 ( -0.135 -0.078 -1.194) 1.204 10.720 ( 0.892 0.515 0.321) 1.079 25.448 ( 0.627 0.362 0.699) 1.006 ======================= Grid point 144 (44/146) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -11.723 -6.768 -0.241) 13.539 1.694 ( 2.619 1.512 4.490) 5.414 1.806 ( -16.355 -9.443 4.118) 19.329 1.847 ( 1.998 1.154 -2.633) 3.501 2.329 ( -5.791 -3.344 -8.720) 10.989 2.655 ( 4.949 2.857 5.287) 7.785 2.705 ( 4.970 2.869 1.484) 5.928 3.151 ( -11.101 -6.409 -2.916) 13.145 3.255 ( 7.161 4.135 -0.307) 8.275 3.358 ( -9.265 -5.349 -8.161) 13.455 3.603 ( -8.889 -5.132 9.392) 13.913 3.850 ( -4.775 -2.757 -4.076) 6.857 4.133 ( -4.408 -2.545 2.363) 5.612 4.515 ( 0.199 0.115 -0.118) 0.259 4.533 ( 4.555 2.630 -4.206) 6.735 4.758 ( -0.054 -0.031 0.097) 0.116 5.361 ( 13.639 7.875 4.885) 16.489 9.900 ( -0.153 -0.088 1.070) 1.085 9.975 ( -0.295 -0.170 -1.321) 1.364 10.749 ( 1.539 0.889 0.568) 1.866 25.492 ( 3.145 1.816 0.071) 3.632 ======================= Grid point 145 (45/146) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -14.985 -8.652 4.203) 17.807 1.432 ( -19.108 -11.032 3.943) 22.414 1.792 ( 3.958 2.285 1.395) 4.779 1.878 ( 1.380 0.796 -2.637) 3.081 2.109 ( -10.397 -6.003 -4.680) 12.885 2.642 ( -28.021 -16.178 -3.347) 32.528 2.820 ( 7.497 4.329 2.291) 8.955 2.833 ( 4.766 2.751 2.054) 5.874 3.105 ( -13.203 -7.623 -3.172) 15.572 3.401 ( 6.140 3.545 -0.574) 7.113 3.513 ( -1.255 -0.724 4.060) 4.311 3.799 ( -0.805 -0.465 -3.037) 3.176 4.098 ( 0.093 0.054 1.480) 1.484 4.522 ( 0.483 0.279 0.115) 0.570 4.602 ( 2.790 1.611 -2.535) 4.099 4.753 ( -0.494 -0.285 -0.115) 0.582 5.636 ( 10.052 5.804 3.170) 12.033 9.899 ( -0.269 -0.155 1.040) 1.085 9.964 ( -0.283 -0.164 -1.244) 1.286 10.788 ( 1.846 1.066 0.178) 2.139 25.578 ( 4.468 2.579 0.436) 5.177 ======================= Grid point 146 (46/146) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -15.584 -8.998 15.436) 23.709 1.002 ( -21.318 -12.308 4.076) 24.951 1.633 ( -24.894 -14.373 -4.625) 29.115 1.872 ( -4.220 -2.436 1.886) 5.225 1.873 ( -9.353 -5.400 -3.261) 11.281 2.202 ( -2.045 -1.181 -1.061) 2.589 2.749 ( -12.628 -7.291 1.516) 14.660 2.978 ( 6.116 3.531 1.494) 7.218 2.999 ( 5.028 2.903 2.173) 6.199 3.514 ( 4.250 2.454 -0.488) 4.932 3.532 ( 1.665 0.961 -0.775) 2.073 3.743 ( -3.541 -2.044 -3.134) 5.152 4.132 ( 2.072 1.196 2.046) 3.148 4.540 ( 1.187 0.685 0.097) 1.374 4.639 ( 1.179 0.681 -0.699) 1.530 4.733 ( -1.309 -0.756 -0.172) 1.522 5.819 ( 6.084 3.513 -1.052) 7.103 9.896 ( -0.330 -0.191 0.877) 0.956 9.954 ( -0.164 -0.094 -1.209) 1.224 10.827 ( 1.696 0.979 -0.600) 2.048 25.685 ( 4.567 2.637 3.791) 6.495 ======================= Grid point 149 (47/146) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.000 23.091 8.628) 24.650 0.776 ( 0.000 26.458 10.760) 28.562 1.075 ( 0.000 19.995 35.516) 40.758 1.637 ( -0.000 6.298 -6.778) 9.252 1.704 ( -0.000 10.928 -3.807) 11.573 2.301 ( 0.000 -6.696 0.126) 6.697 2.705 ( 0.000 -4.097 9.945) 10.755 3.124 ( 0.000 -3.967 4.111) 5.713 3.162 ( 0.000 -2.595 4.790) 5.447 3.546 ( -0.000 -3.017 -2.489) 3.912 3.567 ( -0.000 -2.330 -1.787) 2.937 3.634 ( -0.000 3.523 0.757) 3.603 4.287 ( 0.000 -11.836 5.587) 13.088 4.575 ( 0.000 -2.147 0.039) 2.148 4.659 ( 0.000 -0.205 0.962) 0.983 4.693 ( -0.000 2.228 -0.175) 2.235 5.609 ( -0.000 14.659 -25.495) 29.409 9.900 ( 0.000 0.508 0.835) 0.977 9.916 ( -0.000 1.436 -1.673) 2.205 10.856 ( 0.000 -2.570 1.015) 2.763 26.071 ( 0.000 -18.514 16.483) 24.788 ======================= Grid point 150 (48/146) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 7.001 23.157 3.763) 24.483 1.082 ( 5.657 11.053 21.192) 24.561 1.559 ( 16.089 21.306 15.244) 30.744 1.756 ( 7.591 8.149 -6.225) 12.758 1.866 ( 6.885 11.344 1.626) 13.369 2.220 ( -0.646 -3.124 -0.250) 3.200 2.725 ( 0.330 4.133 5.121) 6.589 3.067 ( -3.105 -4.853 4.653) 7.405 3.112 ( -4.502 -3.203 6.776) 8.743 3.476 ( -2.236 -5.037 -2.358) 5.994 3.541 ( 0.315 -0.275 -2.633) 2.666 3.738 ( 6.255 0.389 -0.139) 6.269 4.171 ( -4.193 -5.055 1.091) 6.658 4.585 ( 0.721 0.276 1.314) 1.525 4.627 ( -1.372 -0.981 0.291) 1.712 4.717 ( 0.606 0.662 -0.340) 0.960 5.618 ( -0.964 3.290 -19.015) 19.321 9.896 ( -0.671 0.582 0.349) 0.955 9.940 ( 1.450 0.481 -0.879) 1.762 10.820 ( -1.443 -2.316 -0.079) 2.730 25.911 ( -6.581 -11.092 12.365) 17.867 ======================= Grid point 151 (49/146) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 9.834 18.257 -0.586) 20.745 1.327 ( 5.675 6.453 15.454) 17.683 1.849 ( -2.020 2.596 8.591) 9.199 1.925 ( 7.144 1.377 3.272) 7.977 2.058 ( 6.761 7.400 2.112) 10.244 2.480 ( 20.001 19.053 -0.047) 27.624 2.800 ( 0.593 3.946 -2.122) 4.520 3.000 ( -6.068 -3.775 5.553) 9.050 3.046 ( 2.121 2.750 5.567) 6.561 3.371 ( -2.619 -6.705 -1.679) 7.392 3.546 ( -0.664 2.866 -0.401) 2.969 3.803 ( 3.521 -2.839 -1.561) 4.785 4.078 ( -2.592 -2.231 -1.210) 3.628 4.561 ( -3.548 1.472 1.052) 3.983 4.646 ( 2.184 -1.272 1.973) 3.206 4.727 ( 1.491 -1.383 -0.011) 2.034 5.504 ( -5.684 -2.786 -13.912) 15.285 9.894 ( -0.312 0.428 0.384) 0.654 9.961 ( 1.052 0.201 -0.671) 1.263 10.772 ( -1.679 -1.709 -1.001) 2.596 25.749 ( -6.810 -7.471 7.960) 12.867 ======================= Grid point 152 (50/146) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 4.446 2.563 4.106) 6.572 1.559 ( 8.762 5.974 -0.590) 10.621 1.823 ( -3.330 6.114 4.835) 8.476 2.005 ( -1.618 0.112 17.139) 17.215 2.308 ( 9.608 12.319 -2.620) 15.841 2.700 ( -3.215 -0.600 -2.113) 3.894 2.819 ( -8.455 -2.561 5.936) 10.643 3.027 ( 12.678 5.807 -4.641) 14.696 3.247 ( 5.298 2.082 -0.794) 5.747 3.292 ( 4.869 4.880 0.020) 6.894 3.577 ( -0.713 7.132 3.580) 8.012 3.815 ( 3.976 -3.059 -3.988) 6.409 4.057 ( 2.566 0.056 1.021) 2.763 4.530 ( -1.867 1.025 0.132) 2.134 4.641 ( -0.674 -4.640 3.514) 5.860 4.747 ( 1.584 -0.749 1.036) 2.035 5.286 ( -9.806 -6.424 -10.580) 15.791 9.896 ( -0.134 0.331 0.580) 0.681 9.974 ( 0.719 0.061 -0.808) 1.084 10.731 ( -1.181 -0.925 -1.153) 1.892 25.607 ( -5.812 -5.276 4.868) 9.236 ======================= Grid point 153 (51/146) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 3.250 -2.144 0.295) 3.905 1.622 ( 0.819 -3.600 0.923) 3.805 1.952 ( 1.514 8.961 4.034) 9.943 2.029 ( -3.002 7.583 12.697) 15.091 2.500 ( 1.323 2.650 -3.848) 4.856 2.629 ( -4.503 -0.293 -0.963) 4.614 2.690 ( -4.193 5.955 5.699) 9.248 3.046 ( -1.736 -8.483 -0.190) 8.661 3.345 ( 6.683 4.002 -9.314) 12.143 3.410 ( -3.548 6.698 1.500) 7.727 3.718 ( 3.340 5.541 6.118) 8.904 3.894 ( 10.006 1.864 -11.146) 15.094 4.207 ( 11.079 2.420 7.323) 13.499 4.520 ( -0.786 0.709 0.404) 1.133 4.578 ( -1.424 -6.026 4.093) 7.422 4.759 ( 0.356 -0.658 0.908) 1.177 4.998 ( -11.733 -8.096 -7.652) 16.179 9.900 ( -0.072 0.265 0.847) 0.890 9.980 ( 0.410 -0.079 -1.100) 1.177 10.710 ( -0.303 -0.161 -0.675) 0.757 25.501 ( -3.708 -3.209 2.826) 5.660 ======================= Grid point 154 (52/146) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -1.385 -4.301 -0.517) 4.548 1.625 ( 2.447 -1.042 0.861) 2.796 1.920 ( -8.071 -1.090 11.863) 14.390 2.184 ( 1.133 8.654 -2.356) 9.041 2.394 ( -8.439 2.883 1.192) 8.997 2.589 ( 0.507 0.265 -0.216) 0.612 2.755 ( -4.508 5.369 -1.412) 7.151 2.980 ( 4.159 -3.813 3.068) 6.423 3.372 ( -4.419 7.395 -4.173) 9.573 3.448 ( 2.010 2.742 -3.180) 4.655 3.779 ( -1.042 -0.620 8.662) 8.747 4.012 ( 4.601 -0.323 -13.312) 14.088 4.318 ( 0.106 -5.336 1.045) 5.438 4.500 ( -7.389 -6.425 3.129) 10.279 4.509 ( 0.073 -1.119 1.684) 2.023 4.776 ( -2.280 0.140 -0.408) 2.320 4.867 ( 12.042 2.689 0.970) 12.377 9.904 ( -0.100 0.197 1.071) 1.094 9.979 ( 0.113 -0.192 -1.349) 1.368 10.712 ( 0.594 0.361 -0.070) 0.699 25.450 ( -0.854 -1.263 1.580) 2.195 ======================= Grid point 155 (53/146) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -7.821 -3.202 0.660) 8.477 1.665 ( 2.873 -2.129 4.703) 5.908 1.828 ( -3.144 -1.966 3.072) 4.815 2.047 ( -15.641 -1.816 2.247) 15.905 2.426 ( -4.867 10.982 -7.048) 13.927 2.603 ( 2.383 -2.370 1.814) 3.819 2.703 ( 0.479 2.158 2.182) 3.106 3.089 ( 5.865 1.338 2.618) 6.561 3.358 ( -4.159 7.277 -5.017) 9.768 3.433 ( -7.083 -0.218 -4.332) 8.306 3.722 ( -7.294 -4.762 8.241) 11.991 3.879 ( -6.289 -6.879 -6.591) 11.416 4.189 ( -6.529 -6.433 1.681) 9.319 4.438 ( 5.559 -0.775 -2.344) 6.082 4.524 ( 0.518 1.373 -0.355) 1.510 4.750 ( -0.180 -1.421 0.295) 1.463 5.190 ( 16.602 5.570 3.346) 17.828 9.908 ( -0.198 0.083 1.128) 1.148 9.971 ( -0.121 -0.199 -1.383) 1.403 10.733 ( 1.324 0.582 0.130) 1.452 25.460 ( 2.069 0.243 1.070) 2.342 ======================= Grid point 156 (54/146) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -14.332 -4.470 7.697) 16.871 1.705 ( -15.962 -3.223 4.638) 16.931 1.731 ( 3.463 -1.847 1.755) 4.299 1.844 ( -0.830 0.918 -1.631) 2.047 2.263 ( -14.190 0.287 -4.591) 14.917 2.723 ( 7.931 2.413 1.412) 8.410 2.797 ( 4.544 3.343 1.423) 5.818 3.016 ( -25.830 -2.587 -1.244) 25.989 3.209 ( -6.037 -3.134 -3.894) 7.837 3.324 ( 0.328 -0.104 -2.615) 2.637 3.586 ( -5.451 -2.927 7.572) 9.779 3.788 ( 0.349 -0.768 -3.033) 3.148 4.095 ( -0.662 -2.292 0.526) 2.443 4.520 ( 2.957 0.945 -0.197) 3.111 4.554 ( 2.157 2.067 -1.878) 3.529 4.738 ( 0.554 -2.049 0.050) 2.123 5.493 ( 13.673 3.307 1.442) 14.141 9.907 ( -0.305 -0.123 0.930) 0.987 9.962 ( -0.251 -0.019 -1.119) 1.147 10.765 ( 1.826 0.563 -0.282) 1.931 25.525 ( 4.367 1.020 1.583) 4.756 ======================= Grid point 157 (55/146) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -16.117 -4.609 17.907) 24.529 1.331 ( -23.623 -3.449 2.099) 23.965 1.799 ( -1.948 0.509 -1.906) 2.772 1.872 ( 3.628 -0.487 0.243) 3.668 1.994 ( -14.642 -3.223 -0.041) 14.992 2.457 ( -29.257 -0.917 -3.140) 29.439 2.890 ( 6.653 0.490 0.550) 6.693 2.901 ( -3.015 0.381 2.853) 4.169 2.979 ( -6.477 -2.344 1.648) 7.083 3.396 ( 7.018 -1.340 -0.615) 7.171 3.554 ( -0.605 1.084 0.929) 1.551 3.780 ( -1.570 1.325 -2.631) 3.338 4.102 ( 2.249 -0.625 0.772) 2.458 4.556 ( -0.026 2.677 0.983) 2.852 4.600 ( 2.317 -0.511 -0.790) 2.501 4.730 ( 0.496 -1.251 -0.403) 1.405 5.703 ( 9.609 0.689 -2.634) 9.988 9.902 ( -0.333 -0.412 0.546) 0.761 9.956 ( -0.322 0.347 -0.751) 0.888 10.799 ( 2.026 0.352 -1.043) 2.306 25.629 ( 5.820 0.974 4.178) 7.231 ======================= Grid point 161 (56/146) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( -0.000 22.480 4.724) 22.971 1.209 ( 0.000 11.581 11.532) 16.343 1.722 ( 0.000 20.696 19.886) 28.701 1.746 ( -0.000 10.230 -7.271) 12.551 1.947 ( -0.000 13.875 3.756) 14.375 2.175 ( -0.000 -1.930 -1.101) 2.222 2.807 ( 0.000 8.382 5.056) 9.789 3.066 ( 0.000 -5.702 5.908) 8.211 3.119 ( 0.000 -7.262 7.839) 10.686 3.475 ( -0.000 -5.466 -3.039) 6.254 3.485 ( -0.000 0.438 -3.474) 3.502 3.689 ( -0.000 2.260 -1.918) 2.965 4.164 ( 0.000 -4.095 -0.638) 4.144 4.545 ( 0.000 -1.304 0.328) 1.345 4.654 ( 0.000 -1.932 2.614) 3.250 4.727 ( -0.000 1.564 -0.292) 1.591 5.593 ( -0.000 2.145 -18.298) 18.424 9.918 ( 0.000 0.620 0.875) 1.072 9.922 ( -0.000 0.481 -1.229) 1.320 10.807 ( 0.000 -2.815 -0.043) 2.815 25.891 ( 0.000 -12.109 10.461) 16.002 ======================= Grid point 162 (57/146) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.942 11.551 2.900) 12.268 1.356 ( 3.071 14.388 3.151) 15.046 1.855 ( 3.476 4.687 -0.674) 5.874 1.966 ( 3.816 8.006 16.887) 19.074 2.037 ( 1.662 4.155 5.908) 7.412 2.388 ( 12.746 22.790 -2.124) 26.198 2.878 ( -3.717 5.845 0.573) 6.950 2.999 ( -1.775 -6.610 5.973) 9.084 3.101 ( 1.453 -1.186 7.612) 7.840 3.365 ( -3.503 -4.935 -1.961) 6.362 3.544 ( 3.648 4.017 -2.633) 6.031 3.710 ( 1.775 -0.996 -3.717) 4.238 4.099 ( -3.058 -2.239 -1.413) 4.045 4.577 ( 4.012 -1.613 0.330) 4.337 4.628 ( -1.638 -1.977 4.006) 4.759 4.721 ( -1.719 0.649 -0.174) 1.845 5.505 ( -3.454 -2.277 -15.046) 15.605 9.909 ( -0.710 0.516 0.119) 0.886 9.943 ( 1.138 0.286 -0.387) 1.235 10.772 ( -0.942 -2.303 -0.600) 2.559 25.784 ( -3.724 -9.739 7.690) 12.956 ======================= Grid point 163 (58/146) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 3.237 3.041 1.879) 4.822 1.513 ( 1.646 6.195 -4.720) 7.960 1.916 ( 1.436 5.062 5.275) 7.450 2.140 ( -0.976 7.200 24.082) 25.154 2.252 ( 10.783 11.743 -1.714) 16.035 2.727 ( 0.625 2.181 -1.616) 2.786 2.862 ( 5.133 6.525 0.682) 8.330 2.925 ( -0.402 -2.337 -1.821) 2.990 3.228 ( 1.086 3.059 1.369) 3.523 3.286 ( 2.788 4.259 2.191) 5.542 3.642 ( 3.047 3.895 -3.311) 5.951 3.709 ( 1.461 1.046 -1.040) 2.076 4.037 ( -1.083 -1.230 -0.942) 1.890 4.575 ( -1.780 -0.842 0.555) 2.046 4.610 ( -0.247 -5.586 3.546) 6.621 4.718 ( 1.182 0.675 1.615) 2.112 5.328 ( -7.226 -6.189 -11.699) 15.079 9.906 ( -0.349 0.440 0.450) 0.719 9.959 ( 0.850 0.080 -0.692) 1.099 10.734 ( -0.991 -1.343 -0.909) 1.901 25.655 ( -4.757 -7.150 5.053) 9.965 ======================= Grid point 164 (59/146) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.277 -1.780 -2.158) 2.811 1.560 ( 3.530 -0.657 -0.264) 3.600 2.052 ( 1.542 11.665 3.811) 12.369 2.238 ( -5.337 6.996 20.055) 21.901 2.464 ( 3.521 2.493 -1.535) 4.579 2.683 ( -0.937 1.589 -1.323) 2.270 2.799 ( -2.298 -2.075 1.435) 3.413 3.069 ( -2.988 5.035 -1.084) 5.955 3.218 ( 6.660 1.660 -4.555) 8.238 3.492 ( 3.146 8.783 -0.698) 9.355 3.685 ( 9.315 -2.007 -11.549) 14.973 3.807 ( -1.412 9.944 7.813) 12.725 4.081 ( 7.905 0.880 2.855) 8.451 4.528 ( -1.601 -8.809 4.465) 10.005 4.554 ( -0.989 0.777 -0.976) 1.593 4.746 ( 0.650 -1.139 2.361) 2.701 5.073 ( -10.198 -8.697 -8.656) 15.955 9.908 ( -0.163 0.364 0.774) 0.871 9.967 ( 0.557 -0.081 -1.013) 1.159 10.711 ( -0.447 -0.404 -0.707) 0.929 25.539 ( -4.034 -4.696 3.037) 6.896 ======================= Grid point 165 (60/146) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 1.992 -4.097 -0.686) 4.607 1.596 ( 1.022 0.532 -0.790) 1.396 2.121 ( -8.190 2.461 12.805) 15.398 2.274 ( -2.358 8.962 0.923) 9.313 2.458 ( 0.887 -3.379 0.184) 3.499 2.625 ( -3.897 -0.854 1.386) 4.223 2.873 ( -1.265 9.555 -4.660) 10.706 3.002 ( -4.354 3.332 4.785) 7.277 3.343 ( 5.196 3.495 -6.696) 9.168 3.538 ( -2.216 5.409 0.666) 5.883 3.814 ( 6.783 -2.646 -1.430) 7.420 3.872 ( 0.789 7.655 -3.985) 8.666 4.242 ( 4.249 -2.864 2.874) 5.875 4.463 ( 3.322 -5.628 2.863) 7.135 4.556 ( -2.593 -2.863 2.559) 4.634 4.735 ( 2.592 -1.657 -0.503) 3.118 4.822 ( -5.838 -4.284 -3.557) 8.068 9.912 ( -0.112 0.254 0.952) 0.991 9.969 ( 0.284 -0.147 -1.183) 1.225 10.707 ( 0.268 0.180 -0.288) 0.432 25.462 ( -2.061 -2.527 1.758) 3.705 ======================= Grid point 166 (61/146) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.164 -2.442 0.894) 2.606 1.607 ( 1.388 -0.307 -2.381) 2.773 1.975 ( -12.137 -2.498 11.681) 17.029 2.249 ( -8.086 1.320 -1.273) 8.291 2.499 ( 4.241 1.753 1.228) 4.750 2.608 ( -0.046 2.861 -0.602) 2.924 2.780 ( -10.503 3.645 -2.370) 11.367 3.090 ( 2.049 7.095 3.853) 8.330 3.398 ( 0.437 4.063 -7.609) 8.637 3.559 ( -2.991 5.650 1.236) 6.511 3.797 ( -2.770 -7.909 9.440) 12.623 3.898 ( -4.979 2.832 -11.250) 12.624 4.210 ( -1.830 -5.722 -1.552) 6.205 4.361 ( -3.436 -7.675 1.728) 8.585 4.511 ( 2.687 0.064 1.202) 2.944 4.743 ( -0.928 -2.396 0.168) 2.575 4.961 ( 16.627 3.725 1.042) 17.071 9.915 ( -0.167 0.032 0.792) 0.810 9.966 ( 0.048 -0.015 -0.983) 0.984 10.719 ( 0.904 0.332 -0.136) 0.972 25.439 ( 0.584 -0.930 1.238) 1.655 ======================= Grid point 167 (62/146) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -7.623 -1.095 4.324) 8.832 1.633 ( 4.227 -2.207 -2.319) 5.302 1.830 ( -6.142 -1.887 8.897) 10.975 2.052 ( -15.625 0.320 0.918) 15.655 2.498 ( -10.780 -0.933 -1.651) 10.946 2.638 ( 3.420 6.295 -1.101) 7.248 2.746 ( 4.202 0.724 1.732) 4.602 3.185 ( 2.632 2.403 2.164) 4.169 3.355 ( -8.793 2.581 -9.113) 12.924 3.454 ( -16.352 2.330 -1.415) 16.577 3.670 ( -6.329 -9.342 10.959) 15.730 3.770 ( -2.596 2.009 -5.216) 6.163 4.085 ( -1.916 -3.958 -0.567) 4.434 4.424 ( 7.778 0.596 -0.608) 7.824 4.555 ( 1.418 1.500 0.705) 2.181 4.713 ( -0.247 -1.971 0.135) 1.991 5.265 ( 16.495 0.957 -0.448) 16.529 9.912 ( -0.264 -0.301 0.296) 0.498 9.964 ( -0.144 0.320 -0.409) 0.539 10.740 ( 1.415 0.188 -0.510) 1.516 25.471 ( 3.255 -0.146 1.612) 3.635 ======================= Grid point 168 (63/146) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -13.319 -1.383 13.931) 19.323 1.627 ( -9.024 -2.722 -5.257) 10.792 1.764 ( -2.965 -0.434 7.621) 8.190 1.865 ( -1.973 1.011 0.913) 2.397 2.260 ( -16.495 1.846 0.390) 16.603 2.763 ( 5.990 0.543 -0.900) 6.082 2.830 ( 2.774 -0.401 0.232) 2.812 3.000 ( -24.788 1.003 -1.632) 24.862 3.185 ( -14.692 0.670 1.325) 14.767 3.283 ( 3.912 -0.055 -1.646) 4.245 3.576 ( -1.903 -2.778 4.454) 5.584 3.786 ( 1.314 2.261 -2.572) 3.668 4.064 ( 1.202 -0.606 -0.920) 1.631 4.533 ( 3.996 0.055 0.605) 4.042 4.591 ( 1.116 1.261 1.162) 2.046 4.705 ( 0.739 -0.041 -0.325) 0.809 5.500 ( 13.114 -1.645 -3.843) 13.764 9.903 ( -0.322 -0.521 -0.077) 0.617 9.965 ( -0.292 0.629 0.026) 0.694 10.764 ( 1.801 -0.100 -1.226) 2.180 25.551 ( 5.490 -0.297 3.268) 6.396 ======================= Grid point 173 (64/146) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 4.167 1.706) 4.503 1.519 ( -0.000 18.733 -0.702) 18.746 1.912 ( 0.000 -7.760 3.396) 8.470 1.916 ( -0.000 11.914 -3.250) 12.350 2.162 ( 0.000 8.534 21.717) 23.334 2.536 ( -0.000 28.183 -0.310) 28.185 2.976 ( 0.000 -4.677 5.521) 7.235 2.995 ( 0.000 -6.683 6.315) 9.195 3.029 ( 0.000 1.754 0.836) 1.943 3.330 ( -0.000 -6.753 -3.433) 7.576 3.549 ( -0.000 7.236 -2.786) 7.753 3.714 ( -0.000 5.275 -3.179) 6.159 4.112 ( -0.000 -0.834 -0.826) 1.174 4.523 ( 0.000 -1.266 -0.061) 1.267 4.620 ( 0.000 -4.591 5.067) 6.837 4.752 ( -0.000 1.165 0.068) 1.167 5.451 ( -0.000 -4.389 -14.259) 14.919 9.921 ( -0.000 0.218 -0.760) 0.791 9.934 ( 0.000 0.547 0.549) 0.775 10.755 ( 0.000 -2.213 -0.641) 2.304 25.746 ( 0.000 -9.521 6.166) 11.343 ======================= Grid point 174 (65/146) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 2.016 2.648 0.110) 3.330 1.600 ( -5.969 6.370 -4.291) 9.727 1.910 ( 6.129 2.677 4.065) 7.827 2.142 ( 11.893 10.634 -0.450) 15.960 2.322 ( -0.050 8.502 19.862) 21.606 2.785 ( -4.695 6.492 0.465) 8.025 2.856 ( 0.984 0.107 6.425) 6.500 2.941 ( -1.196 2.872 -1.922) 3.657 3.178 ( 10.863 0.811 0.056) 10.894 3.250 ( -1.044 -4.980 -1.983) 5.461 3.583 ( 0.295 0.095 -5.453) 5.462 3.804 ( 0.389 15.161 -0.277) 15.168 4.072 ( -3.753 0.401 0.578) 3.818 4.542 ( 2.892 -1.747 -0.556) 3.424 4.582 ( -1.118 -6.093 6.011) 8.632 4.747 ( -1.479 1.462 0.788) 2.224 5.314 ( -4.010 -7.517 -12.049) 14.757 9.917 ( -0.325 0.290 -0.020) 0.435 9.946 ( 0.578 0.284 -0.157) 0.663 10.730 ( -0.462 -1.471 -0.759) 1.718 25.660 ( -2.444 -7.660 4.215) 9.078 ======================= Grid point 175 (66/146) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.042 -1.980 -2.744) 3.541 1.530 ( -0.293 2.488 0.274) 2.520 2.097 ( 6.533 8.024 2.443) 10.632 2.431 ( 7.471 7.054 1.223) 10.347 2.445 ( -2.547 6.692 14.979) 16.602 2.657 ( -0.434 -4.005 1.273) 4.225 2.802 ( -3.853 -5.434 0.687) 6.697 3.130 ( 5.957 11.725 -0.974) 13.187 3.191 ( -2.367 0.088 -0.529) 2.427 3.386 ( 13.867 1.771 -7.603) 15.913 3.561 ( 0.264 0.283 -3.737) 3.757 3.976 ( 3.391 12.869 0.673) 13.326 4.027 ( -4.346 3.084 4.392) 6.906 4.498 ( -3.300 -8.154 4.810) 10.025 4.559 ( 1.017 -0.364 -0.763) 1.322 4.749 ( -0.599 0.446 2.225) 2.347 5.095 ( -7.262 -10.236 -9.388) 15.673 9.916 ( -0.158 0.271 0.486) 0.579 9.955 ( 0.469 0.075 -0.638) 0.795 10.710 ( -0.339 -0.566 -0.619) 0.905 25.562 ( -3.243 -5.258 2.447) 6.645 ======================= Grid point 176 (67/146) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -0.414 -2.673 -0.645) 2.781 1.584 ( 1.787 2.087 -0.492) 2.791 2.255 ( 2.478 4.786 4.663) 7.127 2.398 ( -5.069 -0.351 -2.806) 5.804 2.457 ( -6.849 -0.502 8.927) 11.263 2.665 ( -1.662 -2.428 1.259) 3.200 2.868 ( 10.299 6.722 -1.085) 12.346 3.122 ( -4.175 0.333 -1.239) 4.368 3.317 ( 3.091 9.140 0.780) 9.680 3.566 ( 6.917 0.573 -5.700) 8.981 3.606 ( 6.725 3.858 -5.285) 9.384 4.009 ( -3.629 2.501 5.430) 6.993 4.162 ( 6.446 7.055 1.461) 9.667 4.374 ( -2.744 -8.057 2.745) 8.943 4.571 ( -0.563 0.228 0.475) 0.771 4.728 ( -2.376 -2.246 1.346) 3.536 4.846 ( -6.103 -8.465 -5.722) 11.901 9.919 ( -0.091 0.125 0.635) 0.653 9.959 ( 0.329 0.047 -0.758) 0.828 10.704 ( 0.063 0.037 -0.296) 0.305 25.480 ( -2.594 -2.996 1.220) 4.147 ======================= Grid point 177 (68/146) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 2.158 -1.214 0.963) 2.657 1.603 ( -0.546 0.656 -2.402) 2.549 2.197 ( -11.950 -3.400 8.028) 14.792 2.332 ( -2.450 0.980 -1.943) 3.277 2.432 ( 3.118 -0.348 0.743) 3.224 2.630 ( -1.551 -0.535 0.981) 1.912 2.994 ( -6.915 6.354 -3.376) 9.979 3.099 ( 4.132 1.187 2.333) 4.892 3.425 ( 0.683 8.192 -2.280) 8.531 3.624 ( 0.142 3.026 0.485) 3.068 3.714 ( 4.648 -5.330 -1.899) 7.322 3.994 ( -1.288 3.431 0.313) 3.678 4.216 ( -4.872 3.399 -1.101) 6.041 4.381 ( -0.055 -6.081 -1.440) 6.250 4.431 ( -0.753 -7.299 4.250) 8.480 4.731 ( 0.764 -0.413 0.408) 0.960 4.781 ( 6.270 0.753 -1.335) 6.454 9.919 ( -0.143 -0.178 0.282) 0.363 9.963 ( 0.213 0.271 -0.369) 0.505 10.709 ( 0.468 0.181 -0.136) 0.520 25.434 ( -0.866 -1.330 0.685) 1.729 ======================= Grid point 178 (69/146) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.475 0.213 3.142) 3.478 1.574 ( -0.736 -0.170 -5.097) 5.153 1.987 ( -10.865 -4.529 9.206) 14.943 2.268 ( -9.192 1.025 0.598) 9.268 2.474 ( 3.822 -1.259 -0.842) 4.112 2.647 ( 4.118 -0.083 -0.522) 4.151 2.857 ( -12.389 2.346 0.884) 12.640 3.156 ( 1.673 -2.681 -0.497) 3.199 3.472 ( -3.790 8.266 -7.054) 11.508 3.622 ( -3.158 0.128 -0.151) 3.165 3.646 ( -0.828 -9.101 5.944) 10.901 3.996 ( -11.789 10.007 -4.725) 16.170 4.087 ( -6.118 -5.233 2.298) 8.372 4.302 ( 6.422 0.351 1.192) 6.541 4.522 ( 4.320 -0.353 1.714) 4.661 4.712 ( -0.750 -0.335 -0.168) 0.838 4.986 ( 15.826 -0.950 -1.786) 15.954 9.913 ( -0.231 -0.440 -0.165) 0.524 9.969 ( 0.066 0.543 0.127) 0.561 10.720 ( 0.817 0.006 -0.396) 0.908 25.433 ( 1.456 -0.532 0.924) 1.805 ======================= Grid point 179 (70/146) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -6.490 0.640 7.237) 9.742 1.580 ( 3.466 -0.015 -3.723) 5.087 1.867 ( -3.433 -1.753 8.688) 9.505 2.041 ( -16.402 -2.291 0.426) 16.566 2.500 ( -5.724 2.974 -1.240) 6.568 2.697 ( -2.452 -1.123 1.754) 3.217 2.728 ( 5.215 -4.654 1.864) 7.234 3.120 ( 1.358 -5.908 -3.020) 6.773 3.392 ( -9.393 7.684 -9.708) 15.541 3.490 ( -13.434 -0.809 1.130) 13.505 3.602 ( -2.523 -4.554 9.030) 10.423 3.836 ( -8.346 7.315 -0.495) 11.109 4.056 ( -0.486 1.707 -1.702) 2.459 4.453 ( 7.436 1.801 2.127) 7.941 4.563 ( 1.769 -1.329 0.628) 2.300 4.712 ( -0.024 1.758 0.460) 1.817 5.219 ( 15.801 -3.696 -4.469) 16.831 9.903 ( -0.284 -0.489 -0.270) 0.626 9.975 ( -0.120 0.666 0.274) 0.730 10.733 ( 1.163 -0.277 -1.007) 1.563 25.477 ( 3.864 -0.704 2.028) 4.420 ======================= Grid point 185 (71/146) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -0.000 2.829 0.500) 2.873 1.766 ( 0.000 -8.066 0.808) 8.107 1.789 ( -0.000 12.382 -5.211) 13.434 2.153 ( -0.000 12.462 3.068) 12.834 2.453 ( 0.000 6.518 12.642) 14.223 2.862 ( 0.000 -6.918 12.248) 14.067 2.887 ( 0.000 -8.561 2.774) 8.999 3.016 ( -0.000 2.473 -7.985) 8.359 3.044 ( -0.000 18.145 -1.497) 18.207 3.195 ( 0.000 -4.976 -1.520) 5.203 3.568 ( -0.000 -0.789 -4.549) 4.617 3.938 ( -0.000 13.560 -3.640) 14.040 4.146 ( 0.000 5.065 4.793) 6.973 4.497 ( 0.000 -1.138 -0.269) 1.169 4.567 ( 0.000 -4.102 6.511) 7.696 4.771 ( -0.000 0.716 0.199) 0.743 5.223 ( -0.000 -9.941 -11.183) 14.963 9.921 ( -0.000 0.130 -0.107) 0.168 9.945 ( -0.000 0.359 0.010) 0.359 10.718 ( -0.000 -1.094 -0.664) 1.280 25.624 ( 0.000 -6.598 2.780) 7.159 ======================= Grid point 186 (72/146) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.116 2.335 -0.078) 2.339 1.597 ( -6.561 -2.356 -0.093) 6.971 2.014 ( 11.038 6.147 -1.954) 12.784 2.348 ( 8.205 8.372 2.501) 11.986 2.541 ( 1.311 3.157 6.046) 6.946 2.713 ( -7.762 -4.674 3.358) 9.663 2.820 ( -3.615 -5.422 0.383) 6.527 3.075 ( 9.941 -5.249 -2.775) 11.579 3.149 ( 0.607 0.509 0.815) 1.136 3.288 ( 4.464 15.083 -0.765) 15.749 3.546 ( 0.798 -0.398 -3.043) 3.171 3.999 ( -0.979 4.963 -5.223) 7.271 4.205 ( -2.716 5.889 8.551) 10.732 4.503 ( 0.502 -2.119 0.525) 2.240 4.555 ( -2.007 3.659 4.080) 5.837 4.773 ( -0.576 0.518 0.702) 1.045 5.046 ( -3.857 -12.477 -9.385) 16.082 9.921 ( -0.058 0.112 0.347) 0.369 9.949 ( 0.208 0.203 -0.379) 0.478 10.707 ( -0.125 -0.439 -0.450) 0.641 25.562 ( -1.698 -4.583 1.280) 5.052 ======================= Grid point 187 (73/146) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -3.804 -0.596 0.613) 3.899 1.571 ( 1.531 0.958 -0.291) 1.829 2.204 ( 6.405 2.214 0.836) 6.828 2.485 ( -1.363 3.248 -3.095) 4.689 2.571 ( -3.662 -3.772 -0.030) 5.258 2.626 ( 1.428 -3.500 3.561) 5.193 2.749 ( 4.974 1.329 -0.971) 5.239 3.136 ( 1.444 -0.398 -1.586) 2.182 3.248 ( 10.780 -0.921 0.663) 10.839 3.483 ( 4.097 11.181 1.103) 11.958 3.580 ( 2.887 1.483 -0.909) 3.370 4.008 ( 0.937 2.099 -3.457) 4.152 4.193 ( -2.473 -4.650 7.073) 8.819 4.455 ( -5.254 1.993 0.468) 5.639 4.613 ( -2.008 8.162 1.819) 8.600 4.757 ( -2.178 -1.069 0.604) 2.500 4.816 ( -4.424 -11.285 -6.109) 13.574 9.922 ( -0.096 -0.039 0.469) 0.481 9.953 ( 0.300 0.192 -0.457) 0.580 10.703 ( -0.011 0.077 -0.122) 0.145 25.497 ( -2.312 -2.424 0.142) 3.352 ======================= Grid point 188 (74/146) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -0.651 0.872 2.070) 2.339 1.594 ( 0.983 -0.539 -2.060) 2.345 2.270 ( 0.640 -2.420 1.095) 2.732 2.387 ( -6.243 -5.699 -4.271) 9.471 2.451 ( -3.920 3.447 -0.950) 5.306 2.630 ( 0.228 -2.663 0.212) 2.681 2.940 ( 11.923 -0.193 1.236) 11.989 3.130 ( -2.697 1.773 -0.489) 3.264 3.413 ( 7.960 0.358 -0.168) 7.970 3.623 ( 2.041 -0.037 0.259) 2.058 3.647 ( 2.511 6.787 2.432) 7.634 4.003 ( -1.373 -3.547 -0.078) 3.804 4.197 ( 8.738 -2.011 0.596) 8.986 4.370 ( -6.420 -1.077 -0.234) 6.514 4.511 ( -9.323 -1.813 -2.434) 9.804 4.735 ( -0.770 -2.115 -0.050) 2.252 4.747 ( -0.758 6.086 1.348) 6.280 9.919 ( -0.201 -0.318 0.093) 0.388 9.961 ( 0.382 0.390 -0.059) 0.549 10.706 ( 0.127 0.224 0.106) 0.278 25.447 ( -1.834 -0.762 -0.381) 2.023 ======================= Grid point 189 (75/146) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 1.808 2.201 2.311) 3.668 1.576 ( -0.785 -1.020 -3.228) 3.475 2.112 ( -8.359 -7.798 -0.340) 11.437 2.374 ( 0.292 4.102 1.147) 4.269 2.417 ( -0.142 -3.334 -0.501) 3.374 2.595 ( -0.592 -1.298 -1.079) 1.789 3.041 ( -5.950 -1.651 -0.089) 6.176 3.064 ( 2.037 -5.291 0.185) 5.673 3.520 ( 5.146 -0.615 4.506) 6.868 3.605 ( -2.407 -2.488 -1.276) 3.690 3.672 ( -3.619 0.726 -3.148) 4.851 4.018 ( 4.438 2.165 1.207) 5.083 4.239 ( -3.477 -4.697 0.543) 5.869 4.355 ( 0.440 2.003 -1.602) 2.602 4.409 ( 1.020 6.415 0.499) 6.515 4.722 ( 0.646 0.384 -0.193) 0.776 4.798 ( 2.510 1.575 0.267) 2.975 9.911 ( -0.256 -0.475 -0.174) 0.567 9.972 ( 0.327 0.548 0.205) 0.670 10.711 ( 0.231 0.077 0.024) 0.245 25.423 ( -0.450 0.035 -0.192) 0.491 ======================= Grid point 190 (76/146) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 2.183 2.482 3.354) 4.709 1.544 ( -0.889 0.690 -3.070) 3.270 1.933 ( -5.343 -6.116 4.401) 9.237 2.263 ( -11.829 -2.325 0.411) 12.062 2.477 ( 5.043 0.628 -1.225) 5.228 2.608 ( 3.596 -2.712 0.087) 4.505 2.851 ( -12.048 -3.199 4.043) 13.105 3.008 ( 1.913 -9.151 -3.419) 9.955 3.520 ( -4.016 -0.806 -4.495) 6.081 3.569 ( -4.634 -0.209 -7.616) 8.918 3.607 ( 1.902 -2.760 10.985) 11.485 4.100 ( -0.543 5.832 -2.111) 6.227 4.149 ( -10.825 6.700 0.858) 12.759 4.375 ( 3.431 4.579 3.312) 6.611 4.517 ( 3.693 -1.114 1.225) 4.047 4.740 ( -1.209 3.285 -0.049) 3.501 4.907 ( 13.392 -4.623 -3.556) 14.607 9.902 ( -0.255 -0.445 -0.127) 0.528 9.982 ( 0.143 0.572 0.133) 0.605 10.715 ( 0.382 -0.154 -0.391) 0.568 25.432 ( 1.504 -0.135 0.684) 1.657 ======================= Grid point 197 (77/146) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 2.908 1.141) 3.124 1.638 ( 0.000 -5.171 0.296) 5.179 1.941 ( -0.000 6.649 -1.508) 6.818 2.373 ( 0.000 5.938 2.634) 6.496 2.546 ( 0.000 -0.346 1.128) 1.180 2.731 ( 0.000 -6.519 -0.793) 6.567 2.771 ( -0.000 -6.988 -14.687) 16.265 2.981 ( 0.000 2.114 10.504) 10.714 3.124 ( 0.000 -1.899 -0.417) 1.944 3.412 ( 0.000 13.599 5.500) 14.669 3.508 ( -0.000 -2.436 -3.271) 4.078 4.042 ( -0.000 4.582 -5.221) 6.946 4.258 ( 0.000 -4.604 8.495) 9.663 4.482 ( 0.000 -0.335 0.162) 0.372 4.691 ( -0.000 14.409 4.107) 14.983 4.780 ( -0.000 0.146 -0.120) 0.189 4.917 ( -0.000 -14.186 -8.356) 16.465 9.924 ( 0.000 0.059 0.633) 0.636 9.948 ( -0.000 0.127 -0.565) 0.579 10.705 ( -0.000 -0.042 -0.172) 0.177 25.542 ( 0.000 -2.924 -0.061) 2.925 ======================= Grid point 198 (78/146) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -5.837 2.436 1.959) 6.621 1.545 ( 0.527 -2.456 -0.341) 2.535 2.098 ( 9.586 2.391 1.467) 9.988 2.421 ( 4.697 -2.015 -0.263) 5.118 2.526 ( -0.492 -7.410 -10.515) 12.873 2.625 ( -1.735 -2.478 -4.472) 5.399 2.722 ( 0.368 0.850 -2.717) 2.871 3.049 ( 3.748 1.815 1.592) 4.458 3.164 ( 3.706 1.184 4.809) 6.186 3.504 ( 4.258 -3.227 0.027) 5.343 3.547 ( 1.239 6.661 6.416) 9.331 4.045 ( -2.140 4.716 -5.897) 7.848 4.199 ( -2.732 -7.901 7.217) 11.044 4.488 ( 0.162 0.039 -0.118) 0.204 4.701 ( -3.321 -12.858 -6.354) 14.722 4.777 ( -0.544 -0.743 -0.319) 0.975 4.847 ( -3.537 15.964 3.425) 16.706 9.926 ( -0.169 -0.069 0.717) 0.740 9.948 ( 0.285 0.104 -0.589) 0.662 10.706 ( -0.032 0.362 0.182) 0.406 25.510 ( -1.349 -0.940 -1.160) 2.012 ======================= Grid point 199 (79/146) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.812 2.454 2.926) 5.396 1.551 ( 1.317 -1.850 -1.296) 2.614 2.208 ( 4.048 -3.980 0.952) 5.756 2.345 ( -2.130 -9.683 -17.008) 19.687 2.544 ( -3.001 2.199 -2.353) 4.402 2.565 ( 7.041 -2.148 2.423) 7.750 2.756 ( 5.478 -1.104 0.051) 5.588 3.149 ( 2.745 2.699 -0.930) 3.961 3.276 ( 7.023 0.594 3.629) 7.927 3.577 ( 6.320 -2.297 0.068) 6.725 3.632 ( 3.259 -0.562 10.492) 11.000 3.999 ( -3.455 -1.724 -7.707) 8.620 4.123 ( -0.640 -3.159 4.532) 5.562 4.419 ( -5.714 -5.922 -2.942) 8.739 4.558 ( -0.340 -2.153 -2.589) 3.384 4.746 ( -1.835 -1.307 -0.237) 2.265 4.935 ( -6.285 15.649 3.640) 17.253 9.921 ( -0.351 -0.348 0.207) 0.536 9.956 ( 0.556 0.288 -0.070) 0.630 10.711 ( -0.099 0.528 0.481) 0.721 25.475 ( -2.027 0.668 -1.702) 2.730 ======================= Grid point 200 (80/146) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -1.141 3.754 2.433) 4.617 1.545 ( 1.196 -2.376 -1.837) 3.232 2.100 ( -3.386 -10.207 -10.463) 15.004 2.287 ( 5.682 -6.985 -3.435) 9.637 2.458 ( -3.751 1.307 2.077) 4.483 2.644 ( -2.148 3.825 -0.152) 4.389 2.868 ( 9.394 -7.246 -0.974) 11.904 3.148 ( -4.609 -1.140 0.935) 4.839 3.396 ( 8.166 -3.444 6.640) 11.074 3.611 ( -0.014 -2.217 1.424) 2.635 3.705 ( -0.681 -1.243 -3.216) 3.515 3.945 ( 7.252 -4.188 3.401) 9.038 4.114 ( 4.391 -8.093 -2.632) 9.576 4.320 ( -2.731 5.722 -2.037) 6.659 4.543 ( -2.214 2.626 -1.976) 3.963 4.711 ( -0.362 -0.454 -0.176) 0.607 4.957 ( -8.841 12.193 3.660) 15.499 9.911 ( -0.345 -0.486 0.004) 0.596 9.969 ( 0.578 0.413 0.085) 0.715 10.715 ( -0.232 0.440 0.576) 0.761 25.446 ( -1.864 1.435 -1.529) 2.805 ======================= Grid point 209 (81/146) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 0.000 -3.524 -0.731) 3.599 1.652 ( 0.000 4.524 2.153) 5.010 2.014 ( 0.000 -1.313 4.965) 5.136 2.312 ( 0.000 -9.473 -2.928) 9.915 2.382 ( -0.000 -11.479 -20.289) 23.311 2.632 ( -0.000 4.007 -4.459) 5.994 2.726 ( -0.000 4.332 -1.193) 4.494 3.105 ( 0.000 1.947 8.090) 8.321 3.126 ( -0.000 2.896 -0.276) 2.909 3.402 ( 0.000 -9.183 1.276) 9.271 3.612 ( 0.000 2.504 7.771) 8.165 4.079 ( -0.000 1.692 -6.708) 6.918 4.182 ( 0.000 -6.144 6.213) 8.738 4.488 ( 0.000 0.565 0.661) 0.870 4.572 ( -0.000 -12.592 -5.960) 13.931 4.776 ( -0.000 -0.309 -0.475) 0.567 5.059 ( -0.000 17.553 3.665) 17.931 9.932 ( 0.000 -0.023 1.232) 1.232 9.942 ( -0.000 -0.111 -1.036) 1.042 10.713 ( 0.000 0.751 0.538) 0.923 25.515 ( -0.000 0.940 -2.322) 2.505 ======================= Grid point 210 (82/146) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 1.126 -3.207 -1.960) 3.923 1.634 ( -6.475 4.211 3.687) 8.559 2.058 ( 6.297 -9.696 1.354) 11.641 2.177 ( -0.414 -12.262 -22.440) 25.575 2.333 ( 12.497 -5.286 0.705) 13.587 2.635 ( -3.959 4.882 -1.742) 6.523 2.754 ( -0.955 3.074 -2.571) 4.120 3.130 ( 2.331 5.609 -0.357) 6.084 3.221 ( 2.869 -1.049 6.105) 6.826 3.367 ( 8.415 -12.972 3.513) 15.856 3.648 ( 0.102 0.444 6.707) 6.722 3.998 ( -3.676 -6.826 -9.619) 12.354 4.130 ( -2.104 -5.381 5.736) 8.142 4.447 ( -3.109 -0.753 -2.997) 4.384 4.523 ( 2.222 0.393 -0.086) 2.258 4.759 ( -1.298 -0.942 -0.539) 1.692 5.195 ( -4.410 15.892 3.438) 16.847 9.926 ( -0.560 -0.331 0.131) 0.663 9.947 ( 0.707 0.065 0.073) 0.714 10.723 ( -0.172 1.011 0.849) 1.332 25.510 ( -1.367 2.526 -2.993) 4.148 ======================= Grid point 211 (83/146) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 2.378 -3.638 -4.928) 6.571 1.589 ( -4.766 3.221 4.923) 7.572 1.980 ( -0.419 -9.455 -16.776) 19.262 2.068 ( 7.543 -12.822 -3.054) 15.186 2.476 ( 6.723 -8.962 2.244) 11.426 2.636 ( 1.806 6.579 -0.457) 6.838 2.766 ( -1.127 3.765 -1.936) 4.381 3.199 ( -1.500 1.591 -0.378) 2.219 3.257 ( 6.196 -7.371 8.567) 12.888 3.446 ( 12.526 -11.340 0.329) 16.900 3.701 ( 1.603 2.176 6.813) 7.329 3.792 ( -3.214 -11.863 -10.750) 16.329 4.067 ( -1.773 -3.089 2.674) 4.453 4.427 ( -2.744 6.974 -1.285) 7.603 4.564 ( 0.954 1.760 -0.663) 2.109 4.717 ( -1.584 -1.263 -0.601) 2.113 5.243 ( -8.117 13.631 3.617) 16.272 9.913 ( -0.464 -0.507 0.007) 0.688 9.962 ( 0.755 0.206 0.128) 0.793 10.731 ( -0.491 1.027 1.031) 1.536 25.496 ( -2.334 3.268 -2.909) 4.959 ======================= Grid point 221 (84/146) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.000 -4.955 -4.608) 6.767 1.767 ( -0.000 5.641 1.561) 5.853 1.866 ( 0.000 -16.612 0.026) 16.613 1.998 ( -0.000 -9.691 -21.958) 24.001 2.156 ( 0.000 -6.775 4.889) 8.354 2.731 ( -0.000 7.297 -1.574) 7.465 2.787 ( -0.000 5.139 -5.916) 7.836 3.097 ( 0.000 -17.051 2.418) 17.222 3.180 ( 0.000 -8.081 7.477) 11.010 3.233 ( -0.000 7.196 1.576) 7.366 3.663 ( 0.000 -1.058 3.352) 3.515 3.901 ( -0.000 -12.548 -6.750) 14.248 4.126 ( 0.000 -2.900 2.434) 3.786 4.484 ( -0.000 4.239 -0.738) 4.302 4.507 ( 0.000 0.824 0.519) 0.974 4.764 ( -0.000 -0.510 -0.392) 0.644 5.388 ( -0.000 14.217 3.111) 14.554 9.929 ( -0.000 -0.323 -1.295) 1.335 9.940 ( 0.000 -0.130 1.526) 1.532 10.740 ( 0.000 1.445 1.112) 1.823 25.542 ( -0.000 4.168 -3.928) 5.727 ======================= Grid point 222 (85/146) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.897 -9.088 -11.289) 14.616 1.695 ( -1.785 -8.926 3.376) 9.708 1.817 ( 1.937 -4.541 -7.442) 8.931 1.859 ( 1.166 -4.767 -8.958) 10.214 2.214 ( 10.176 -10.226 4.066) 14.989 2.746 ( -4.340 6.831 -2.663) 8.520 2.804 ( 1.058 1.883 -0.071) 2.161 3.002 ( 9.456 -20.665 1.808) 22.798 3.175 ( 4.127 -5.428 1.864) 7.069 3.295 ( -1.668 3.536 2.405) 4.590 3.654 ( 1.922 -6.535 -3.222) 7.535 3.763 ( -2.657 -3.273 0.394) 4.234 4.092 ( -2.197 -0.894 1.052) 2.594 4.517 ( -1.147 5.125 -0.146) 5.254 4.545 ( 2.414 1.624 0.003) 2.909 4.738 ( -2.126 -0.844 -0.094) 2.289 5.485 ( -4.597 12.211 3.068) 13.404 9.916 ( -0.470 -0.490 -0.586) 0.898 9.951 ( 0.688 -0.038 0.780) 1.040 10.756 ( -0.436 1.622 1.245) 2.090 25.557 ( -1.668 4.958 -4.122) 6.660 ======================= Grid point 233 (86/146) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( -0.000 -14.168 -18.705) 23.465 1.475 ( 0.000 -21.903 -3.789) 22.228 1.803 ( -0.000 -1.915 -1.870) 2.677 1.879 ( -0.000 5.581 -2.897) 6.288 2.043 ( 0.000 -10.382 6.869) 12.448 2.598 ( 0.000 -31.154 4.253) 31.443 2.862 ( -0.000 7.250 -5.143) 8.888 2.870 ( -0.000 6.789 -4.322) 8.048 3.065 ( 0.000 -12.662 3.649) 13.177 3.388 ( -0.000 7.213 1.736) 7.419 3.556 ( -0.000 -5.409 -3.074) 6.222 3.767 ( 0.000 -1.507 2.723) 3.112 4.112 ( -0.000 0.631 -0.973) 1.160 4.523 ( -0.000 0.713 -0.068) 0.717 4.580 ( -0.000 4.127 1.153) 4.285 4.752 ( 0.000 -0.721 0.066) 0.724 5.641 ( -0.000 10.371 2.508) 10.670 9.912 ( -0.000 -0.440 -1.254) 1.329 9.948 ( 0.000 -0.208 1.512) 1.526 10.782 ( 0.000 1.966 1.226) 2.317 25.608 ( -0.000 5.873 -4.791) 7.579 ======================= Grid point 270 (87/146) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 -0.000 15.918) 15.918 0.352 ( 0.000 -0.000 15.918) 15.918 1.107 ( 0.000 -0.000 45.942) 45.942 1.551 ( -0.000 0.000 -7.745) 7.745 1.551 ( -0.000 0.000 -7.745) 7.745 2.372 ( -0.000 0.000 -0.000) 0.000 2.840 ( 0.000 -0.000 5.002) 5.002 3.184 ( 0.000 -0.000 4.731) 4.731 3.184 ( 0.000 -0.000 4.731) 4.731 3.576 ( -0.000 0.000 -2.243) 2.243 3.576 ( -0.000 0.000 -2.243) 2.243 3.595 ( 0.000 -0.000 1.604) 1.604 4.614 ( -0.000 0.000 -0.289) 0.289 4.614 ( -0.000 0.000 -0.289) 0.289 4.655 ( 0.000 -0.000 0.126) 0.126 4.655 ( -0.000 -0.000 0.126) 0.126 5.150 ( -0.000 0.000 -19.586) 19.586 9.895 ( 0.000 -0.000 0.686) 0.686 9.895 ( 0.000 -0.000 0.686) 0.686 10.900 ( 0.000 -0.000 2.280) 2.280 26.381 ( -0.000 0.000 -0.026) 0.026 ======================= Grid point 271 (88/146) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 15.715 9.073 8.888) 20.206 0.881 ( 24.240 13.995 9.024) 29.409 1.366 ( 11.628 6.713 36.172) 38.583 1.608 ( 7.249 4.185 -7.719) 11.386 1.660 ( 11.758 6.789 -5.899) 14.803 2.305 ( -5.362 -3.096 0.410) 6.205 2.770 ( -4.971 -2.870 10.411) 11.888 3.156 ( -3.963 -2.288 4.670) 6.538 3.172 ( -3.335 -1.926 5.837) 6.993 3.532 ( -1.076 -0.621 -2.703) 2.975 3.536 ( -2.177 -1.257 -3.171) 4.046 3.712 ( 6.561 3.788 1.421) 7.708 4.321 ( -12.659 -7.309 3.561) 15.045 4.585 ( -2.043 -1.179 0.295) 2.377 4.645 ( -0.167 -0.096 -0.745) 0.769 4.688 ( 2.237 1.291 -0.330) 2.604 5.400 ( 13.005 7.509 -25.663) 29.734 9.892 ( -0.163 -0.094 0.626) 0.654 9.923 ( 1.597 0.922 -0.515) 1.915 10.866 ( -2.961 -1.710 1.961) 3.942 26.165 ( -14.315 -8.264 10.045) 19.342 ======================= Grid point 272 (89/146) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 17.442 10.070 3.464) 20.437 1.268 ( 9.448 5.455 12.197) 16.364 1.790 ( 10.738 6.200 14.501) 19.079 1.801 ( 12.308 7.106 -6.375) 15.577 1.987 ( 13.436 7.757 4.461) 16.143 2.238 ( 6.816 3.935 2.257) 8.188 2.752 ( 0.577 0.333 4.275) 4.326 3.082 ( -3.135 -1.810 5.228) 6.359 3.082 ( -6.831 -3.944 6.679) 10.336 3.462 ( -3.487 -2.013 -3.643) 5.430 3.513 ( -0.218 -0.126 -1.369) 1.392 3.824 ( 2.677 1.545 0.736) 3.177 4.130 ( -5.992 -3.459 -0.853) 6.971 4.545 ( -1.578 -0.911 0.352) 1.855 4.660 ( 1.349 0.779 1.414) 2.104 4.730 ( 1.622 0.936 -0.284) 1.894 5.456 ( 0.834 0.481 -19.490) 19.514 9.892 ( -0.027 -0.015 0.679) 0.679 9.950 ( 1.107 0.639 -0.965) 1.602 10.804 ( -2.917 -1.684 0.400) 3.392 25.922 ( -11.283 -6.514 9.471) 16.107 ======================= Grid point 273 (90/146) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 16.312 9.418 0.319) 18.839 1.456 ( 5.425 3.132 4.960) 7.990 1.850 ( -5.624 -3.247 7.479) 9.905 2.076 ( 14.054 8.114 -5.043) 16.994 2.090 ( -0.200 -0.116 16.125) 16.127 2.661 ( 10.202 5.890 0.273) 11.784 2.828 ( 13.082 7.553 -2.837) 15.370 2.930 ( -9.147 -5.281 7.128) 12.743 3.139 ( 8.056 4.651 3.038) 9.786 3.357 ( -4.922 -2.842 -3.156) 6.501 3.510 ( 0.036 0.021 2.237) 2.237 3.838 ( -0.242 -0.139 -3.446) 3.457 4.057 ( 0.065 0.038 -0.239) 0.250 4.519 ( -0.875 -0.505 0.005) 1.011 4.696 ( 0.294 0.170 4.605) 4.618 4.756 ( 0.735 0.424 0.014) 0.849 5.332 ( -6.103 -3.524 -14.253) 15.900 9.895 ( 0.064 0.037 0.845) 0.848 9.966 ( 0.725 0.418 -1.166) 1.435 10.748 ( -2.066 -1.193 -0.588) 2.457 25.730 ( -8.907 -5.142 6.291) 12.056 ======================= Grid point 274 (91/146) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 3.500 2.021 -0.030) 4.042 1.698 ( 14.586 8.421 -1.627) 16.921 1.732 ( -5.919 -3.418 2.463) 7.265 2.104 ( -5.021 -2.899 22.818) 23.543 2.351 ( 11.767 6.793 -5.166) 14.536 2.643 ( -3.203 -1.849 -1.951) 4.181 2.745 ( -9.677 -5.587 7.854) 13.658 3.162 ( 11.247 6.494 -7.202) 14.851 3.227 ( -5.924 -3.421 -1.827) 7.081 3.335 ( 4.111 2.373 2.248) 5.252 3.594 ( 9.133 5.273 -0.946) 10.589 3.846 ( 3.160 1.824 -4.481) 5.778 4.156 ( 8.576 4.951 5.375) 11.267 4.506 ( -0.273 -0.158 -0.491) 0.584 4.682 ( -3.356 -1.937 5.352) 6.607 4.764 ( 0.082 0.048 0.375) 0.387 5.100 ( -10.586 -6.112 -10.058) 15.830 9.900 ( 0.096 0.056 1.082) 1.087 9.974 ( 0.413 0.239 -1.420) 1.498 10.713 ( -0.845 -0.488 -0.649) 1.172 25.580 ( -6.312 -3.644 3.889) 8.261 ======================= Grid point 275 (92/146) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -5.049 -2.915 -0.843) 5.890 1.625 ( 2.983 1.722 -0.352) 3.462 1.982 ( 11.869 6.853 -3.490) 14.143 2.039 ( -8.007 -4.623 20.579) 22.561 2.433 ( -6.268 -3.619 -0.134) 7.239 2.588 ( -0.674 -0.389 -1.338) 1.548 2.659 ( 2.166 1.250 2.694) 3.676 3.107 ( -3.766 -2.174 0.340) 4.361 3.248 ( 0.227 0.131 -3.776) 3.786 3.396 ( 2.943 1.699 -1.318) 3.645 3.771 ( 5.029 2.903 -1.429) 5.980 3.936 ( 6.131 3.540 -6.421) 9.558 4.378 ( 3.316 1.915 3.675) 5.307 4.503 ( 0.140 0.081 -0.818) 0.834 4.616 ( -3.817 -2.204 6.629) 7.960 4.765 ( -0.177 -0.102 0.610) 0.643 4.858 ( -3.912 -2.258 -5.036) 6.765 9.907 ( 0.059 0.034 1.306) 1.308 9.974 ( 0.123 0.071 -1.661) 1.667 10.706 ( 0.292 0.169 -0.251) 0.421 25.487 ( -3.143 -1.815 2.467) 4.388 ======================= Grid point 276 (93/146) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -5.553 -3.206 -0.371) 6.422 1.692 ( 3.027 1.748 1.137) 3.676 1.919 ( -8.067 -4.657 14.858) 17.536 2.114 ( -4.588 -2.649 -1.908) 5.631 2.274 ( -1.625 -0.938 -1.330) 2.300 2.614 ( 3.211 1.854 -0.240) 3.715 2.685 ( -1.189 -0.686 2.303) 2.681 3.115 ( 4.328 2.499 0.558) 5.028 3.224 ( -1.050 -0.606 -2.551) 2.825 3.427 ( -0.643 -0.371 -3.268) 3.351 3.791 ( -3.077 -1.776 -1.134) 3.730 3.967 ( -3.806 -2.197 -2.306) 4.963 4.292 ( -6.507 -3.757 -2.234) 7.839 4.472 ( -5.279 -3.048 2.510) 6.593 4.505 ( 0.357 0.206 -0.774) 0.877 4.763 ( -0.182 -0.105 0.584) 0.620 5.065 ( 15.451 8.920 2.729) 18.048 9.912 ( -0.054 -0.031 1.429) 1.431 9.968 ( -0.100 -0.058 -1.765) 1.768 10.721 ( 1.070 0.618 -0.074) 1.238 25.462 ( 0.167 0.096 1.937) 1.946 ======================= Grid point 277 (94/146) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -9.257 -5.345 7.131) 12.850 1.767 ( 2.639 1.523 5.852) 6.597 1.833 ( -2.330 -1.345 3.881) 4.722 1.847 ( -15.953 -9.210 3.117) 18.683 2.232 ( -4.518 -2.608 -8.493) 9.967 2.718 ( 5.878 3.394 1.048) 6.868 2.720 ( 3.878 2.239 6.296) 7.726 3.122 ( -13.187 -7.614 -2.445) 15.422 3.247 ( 6.854 3.957 -1.027) 7.981 3.267 ( -8.625 -4.980 -8.312) 12.972 3.675 ( -5.552 -3.205 2.444) 6.861 3.838 ( -6.333 -3.656 3.040) 7.920 4.144 ( -4.330 -2.500 -0.407) 5.017 4.494 ( 4.441 2.564 -2.513) 5.710 4.512 ( 0.448 0.258 -0.390) 0.647 4.760 ( -0.246 -0.142 0.301) 0.414 5.396 ( 13.305 7.682 1.436) 15.430 9.914 ( -0.220 -0.127 1.405) 1.428 9.958 ( -0.196 -0.113 -1.674) 1.690 10.749 ( 1.508 0.871 -0.481) 1.806 25.506 ( 3.002 1.733 2.456) 4.248 ======================= Grid point 282 (95/146) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 19.624 9.467) 21.788 0.849 ( -0.000 28.711 5.676) 29.267 1.487 ( 0.000 9.166 35.722) 36.879 1.550 ( -0.000 6.644 -8.836) 11.055 1.651 ( -0.000 14.610 -5.674) 15.673 2.303 ( 0.000 -6.652 0.302) 6.659 2.816 ( 0.000 -4.673 11.825) 12.715 3.178 ( 0.000 -3.719 5.622) 6.741 3.224 ( 0.000 -0.854 6.689) 6.743 3.512 ( -0.000 -3.162 -3.682) 4.853 3.541 ( -0.000 -2.524 -3.011) 3.929 3.648 ( 0.000 1.902 1.463) 2.399 4.315 ( 0.000 -14.050 -0.366) 14.055 4.576 ( 0.000 -1.897 0.196) 1.907 4.673 ( 0.000 0.627 1.563) 1.684 4.691 ( -0.000 2.063 -0.270) 2.081 5.325 ( -0.000 17.785 -26.423) 31.851 9.906 ( -0.000 0.721 -0.307) 0.783 9.909 ( 0.000 0.567 0.760) 0.948 10.875 ( 0.000 -3.607 2.207) 4.229 26.198 ( 0.000 -14.997 7.735) 16.875 ======================= Grid point 283 (96/146) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 4.963 20.627 4.729) 21.737 1.210 ( 9.683 12.109 4.558) 16.160 1.679 ( 8.843 9.147 -6.830) 14.440 1.793 ( 7.695 14.542 22.343) 27.747 1.883 ( 10.841 16.875 2.125) 20.170 2.219 ( -0.788 -4.562 -0.033) 4.630 2.805 ( -2.766 0.015 10.072) 10.445 3.125 ( -3.308 -4.444 6.010) 8.174 3.194 ( -5.055 -2.166 8.232) 9.900 3.445 ( -1.754 -4.566 -3.259) 5.877 3.507 ( 0.858 -0.327 -3.587) 3.703 3.734 ( 6.388 -1.810 -0.794) 6.687 4.166 ( -4.244 -6.466 -2.314) 8.073 4.603 ( 3.498 -0.016 1.736) 3.905 4.630 ( -4.410 0.885 0.388) 4.515 4.717 ( 0.644 0.708 0.641) 1.152 5.389 ( 1.563 7.202 -22.424) 23.604 9.901 ( -0.509 0.414 0.500) 0.825 9.933 ( 1.195 0.535 -0.523) 1.410 10.827 ( -2.031 -3.315 1.268) 4.090 26.025 ( -7.060 -11.899 8.438) 16.206 ======================= Grid point 284 (97/146) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 8.816 15.299 0.403) 17.662 1.410 ( 5.656 4.054 1.722) 7.168 1.891 ( 4.729 3.527 -0.089) 5.900 2.021 ( 0.279 9.056 6.435) 11.113 2.115 ( 6.929 5.055 12.579) 15.225 2.484 ( 20.459 15.705 0.643) 25.799 2.793 ( -2.710 1.622 1.562) 3.523 3.059 ( -4.843 -5.459 5.634) 9.220 3.121 ( -1.735 3.575 7.698) 8.663 3.350 ( -2.550 -5.686 -2.157) 6.595 3.537 ( 1.515 3.548 -1.257) 4.057 3.771 ( 3.445 -5.202 -4.591) 7.746 4.060 ( -2.065 -1.825 -1.888) 3.340 4.568 ( -4.071 1.409 0.168) 4.311 4.683 ( 3.334 -0.128 4.985) 5.999 4.729 ( 1.178 -1.295 0.527) 1.828 5.334 ( -3.449 -0.152 -16.912) 17.261 9.901 ( -0.189 0.309 0.806) 0.884 9.952 ( 0.914 0.336 -1.076) 1.451 10.767 ( -2.124 -2.233 0.090) 3.083 25.829 ( -7.846 -8.682 6.451) 13.362 ======================= Grid point 285 (98/146) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 5.305 1.861 -1.990) 5.964 1.556 ( 8.155 4.201 -1.078) 9.236 1.868 ( -4.940 4.938 3.903) 8.001 2.228 ( 2.450 6.167 14.092) 15.576 2.287 ( 4.195 9.088 5.968) 11.654 2.681 ( -3.814 -0.932 -1.064) 4.067 2.886 ( -6.369 -2.585 6.156) 9.227 2.962 ( 11.915 4.069 -6.489) 14.164 3.244 ( -1.469 -4.156 -0.450) 4.430 3.299 ( 7.480 9.523 1.249) 12.174 3.594 ( -0.411 6.024 -1.423) 6.203 3.763 ( 4.544 -1.888 -4.241) 6.496 4.077 ( 5.479 0.838 2.189) 5.960 4.528 ( -2.080 0.996 -0.324) 2.329 4.689 ( -0.716 -5.428 4.916) 7.358 4.763 ( 1.445 0.250 2.039) 2.511 5.162 ( -8.001 -4.593 -12.008) 15.143 9.906 ( -0.029 0.259 1.090) 1.120 9.962 ( 0.610 0.167 -1.425) 1.559 10.722 ( -1.249 -1.037 -0.409) 1.675 25.657 ( -6.655 -6.161 4.185) 9.988 ======================= Grid point 286 (99/146) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 4.507 -1.892 -1.618) 5.149 1.613 ( 0.401 -4.270 -1.576) 4.569 1.967 ( 2.779 14.749 0.805) 15.031 2.241 ( -9.058 -0.793 22.705) 24.458 2.458 ( 2.261 5.256 -3.815) 6.876 2.615 ( -2.625 1.119 -1.442) 3.197 2.746 ( -6.372 0.806 3.986) 7.559 3.044 ( -0.083 -6.154 -0.140) 6.157 3.260 ( 4.138 3.653 -6.202) 8.303 3.433 ( -1.838 5.527 2.683) 6.413 3.680 ( 7.768 7.495 -13.137) 17.003 3.852 ( 4.757 0.113 3.816) 6.100 4.274 ( 11.483 2.030 4.749) 12.591 4.520 ( -0.648 1.887 -0.290) 2.016 4.622 ( -0.284 -6.670 3.588) 7.580 4.772 ( -0.680 -0.668 1.602) 1.864 4.916 ( -9.850 -6.638 -6.797) 13.685 9.912 ( 0.011 0.195 1.307) 1.321 9.965 ( 0.315 0.029 -1.648) 1.678 10.704 ( -0.140 -0.088 -0.295) 0.338 25.532 ( -4.233 -3.807 2.684) 6.294 ======================= Grid point 287 (100/146) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -2.407 -3.868 0.110) 4.557 1.610 ( 4.685 -1.140 -3.006) 5.682 2.097 ( -8.636 -2.778 18.103) 20.249 2.158 ( -1.686 8.135 -0.867) 8.354 2.407 ( -7.907 1.887 1.089) 8.202 2.589 ( -0.278 0.828 0.333) 0.935 2.737 ( -2.530 3.189 -1.756) 4.433 3.015 ( 3.102 -1.380 3.174) 4.647 3.300 ( -0.736 4.614 -7.190) 8.575 3.455 ( -2.049 4.709 2.589) 5.751 3.792 ( 1.564 3.363 -9.511) 10.208 3.933 ( 4.072 -2.209 2.213) 5.134 4.312 ( -3.001 -6.406 -2.105) 7.381 4.495 ( -1.194 -1.646 -0.995) 2.264 4.565 ( -7.892 -7.100 5.616) 12.010 4.773 ( -1.293 -0.299 -0.029) 1.327 4.876 ( 15.421 4.843 0.519) 16.172 9.918 ( -0.046 0.050 1.341) 1.343 9.962 ( 0.053 0.005 -1.660) 1.660 10.711 ( 0.719 0.404 -0.178) 0.844 25.470 ( -1.084 -1.662 2.089) 2.881 ======================= Grid point 288 (101/146) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -5.052 -1.993 2.527) 5.990 1.673 ( 6.300 -2.566 -2.740) 7.334 1.946 ( -9.588 -5.109 17.932) 20.966 2.063 ( -13.738 -1.529 0.655) 13.839 2.362 ( -8.364 10.410 -4.494) 14.089 2.620 ( 4.835 -1.508 1.343) 5.240 2.728 ( 1.668 1.275 2.334) 3.140 3.116 ( 4.704 3.132 2.094) 6.027 3.291 ( -2.388 3.708 -6.617) 7.952 3.400 ( -12.416 1.072 -2.664) 12.744 3.724 ( -4.015 -0.588 -6.418) 7.593 3.896 ( -4.242 -8.129 8.330) 12.388 4.180 ( -5.270 -5.572 -3.105) 8.275 4.427 ( 3.120 -1.762 0.490) 3.617 4.522 ( -0.013 1.735 0.030) 1.735 4.754 ( -0.189 -1.537 0.419) 1.605 5.211 ( 16.645 4.840 0.350) 17.338 9.920 ( -0.142 -0.256 1.059) 1.099 9.956 ( -0.167 0.206 -1.313) 1.339 10.731 ( 1.252 0.511 -0.535) 1.454 25.480 ( 2.183 0.021 2.455) 3.285 ======================= Grid point 294 (102/146) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -0.000 19.918 3.156) 20.167 1.266 ( -0.000 11.943 1.524) 12.039 1.670 ( -0.000 11.668 -6.206) 13.216 1.948 ( 0.000 12.622 13.052) 18.157 2.003 ( 0.000 23.324 10.932) 25.759 2.167 ( 0.000 -4.682 -0.109) 4.684 2.888 ( 0.000 3.635 9.810) 10.462 3.135 ( 0.000 -5.412 6.604) 8.538 3.214 ( 0.000 -7.968 9.904) 12.712 3.436 ( -0.000 -5.583 -4.156) 6.960 3.444 ( -0.000 1.111 -3.928) 4.082 3.666 ( -0.000 0.385 -2.650) 2.678 4.140 ( -0.000 -3.698 -3.581) 5.148 4.549 ( 0.000 -1.414 0.302) 1.446 4.694 ( 0.000 -1.088 4.787) 4.909 4.724 ( -0.000 1.693 -0.220) 1.707 5.370 ( -0.000 6.530 -21.888) 22.841 9.913 ( -0.000 0.358 -0.427) 0.557 9.925 ( 0.000 0.598 0.431) 0.737 10.813 ( 0.000 -3.857 1.009) 3.987 25.987 ( 0.000 -13.028 7.118) 14.846 ======================= Grid point 295 (103/146) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 1.412 15.947 -1.642) 16.093 1.381 ( 2.960 5.662 0.292) 6.396 1.850 ( 7.558 10.965 -0.140) 13.318 2.037 ( 3.185 -2.818 1.799) 4.617 2.209 ( 0.454 11.841 16.602) 20.397 2.379 ( 11.517 22.660 0.900) 25.435 2.899 ( -5.861 1.597 2.973) 6.763 3.077 ( -2.946 -6.917 8.757) 11.541 3.184 ( 1.607 -3.070 7.550) 8.307 3.343 ( -2.263 -4.616 -2.102) 5.554 3.507 ( 4.303 4.368 -3.752) 7.188 3.662 ( 1.075 -1.094 -5.346) 5.562 4.078 ( -2.830 -1.249 -2.302) 3.856 4.576 ( 3.326 -2.004 -0.293) 3.894 4.687 ( -1.046 -0.258 6.524) 6.612 4.722 ( -1.311 0.004 0.731) 1.502 5.322 ( -2.052 1.138 -18.017) 18.170 9.911 ( -0.294 0.348 0.300) 0.546 9.938 ( 0.677 0.426 -0.445) 0.915 10.770 ( -1.167 -3.000 0.242) 3.228 25.857 ( -4.103 -10.952 5.457) 12.906 ======================= Grid point 296 (104/146) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 0.289 5.393 -2.144) 5.811 1.473 ( 4.744 2.776 -2.197) 5.919 1.977 ( 0.746 4.758 5.558) 7.354 2.225 ( 10.709 12.680 -3.011) 16.868 2.386 ( 0.700 7.136 19.223) 20.517 2.713 ( 1.566 3.376 -1.147) 3.894 2.842 ( 4.794 9.268 -2.833) 10.812 2.954 ( -5.153 -8.218 6.009) 11.411 3.237 ( -1.898 -3.009 0.422) 3.582 3.310 ( 4.284 5.608 1.502) 7.215 3.572 ( 2.739 -2.576 -7.724) 8.591 3.711 ( 3.713 10.123 0.272) 10.786 4.032 ( -0.288 -0.697 -0.040) 0.756 4.569 ( -1.411 -0.748 -0.959) 1.863 4.668 ( -1.536 -6.396 5.574) 8.622 4.743 ( 1.960 1.277 3.496) 4.207 5.189 ( -5.624 -3.800 -13.342) 14.969 9.913 ( -0.096 0.318 0.824) 0.889 9.949 ( 0.561 0.241 -1.046) 1.212 10.728 ( -1.089 -1.604 -0.267) 1.958 25.702 ( -5.208 -8.189 3.555) 10.336 ======================= Grid point 297 (105/146) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.909 -1.646 -1.572) 2.451 1.548 ( 3.455 0.352 -1.597) 3.822 2.090 ( 0.950 11.944 3.203) 12.403 2.418 ( -0.684 2.340 4.739) 5.329 2.487 ( -2.338 3.838 12.707) 13.478 2.666 ( -1.099 2.686 -1.852) 3.443 2.795 ( -2.227 -5.150 -1.759) 5.880 3.076 ( -1.003 8.034 2.626) 8.511 3.188 ( 3.675 0.103 -1.184) 3.863 3.470 ( 6.430 7.814 -5.370) 11.456 3.558 ( 3.786 -1.600 -9.045) 9.935 3.881 ( -0.586 10.145 5.493) 11.552 4.108 ( 10.910 0.786 1.828) 11.090 4.545 ( -0.492 1.046 -0.517) 1.266 4.574 ( -2.606 -9.349 3.491) 10.314 4.776 ( 0.137 -1.265 3.246) 3.487 4.977 ( -8.433 -7.139 -8.267) 13.799 9.919 ( -0.011 0.219 1.089) 1.111 9.954 ( 0.371 0.125 -1.319) 1.375 10.706 ( -0.374 -0.402 -0.279) 0.616 25.568 ( -4.300 -5.459 2.142) 7.272 ======================= Grid point 298 (106/146) ======================= q-point: ( 0.73 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 2.719 -3.604 -0.588) 4.552 1.577 ( 0.116 0.834 -1.952) 2.126 2.218 ( -0.426 9.202 2.264) 9.486 2.332 ( -9.713 -4.393 11.412) 15.616 2.471 ( -0.328 -1.682 2.317) 2.882 2.640 ( -3.314 -0.095 1.275) 3.552 2.813 ( -2.229 8.258 -5.796) 10.332 3.059 ( -2.527 3.679 5.187) 6.843 3.286 ( 2.455 4.613 -3.744) 6.429 3.550 ( -1.047 4.808 1.350) 5.102 3.687 ( 11.237 4.562 -13.715) 18.308 3.922 ( -2.767 3.373 5.443) 6.976 4.265 ( 1.966 -4.896 0.996) 5.369 4.474 ( 1.043 -5.491 -0.663) 5.629 4.590 ( 1.729 -2.740 3.489) 4.762 4.732 ( 0.251 -2.791 0.347) 2.824 4.791 ( -2.462 -2.163 -2.196) 3.945 9.923 ( -0.048 -0.050 0.898) 0.901 9.955 ( 0.191 0.231 -1.114) 1.154 10.704 ( 0.332 0.213 -0.174) 0.431 25.480 ( -2.066 -3.074 1.529) 4.008 ======================= Grid point 299 (107/146) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.262 -1.778 1.495) 2.644 1.565 ( 0.672 -0.600 -3.976) 4.077 2.140 ( -11.501 -6.317 16.899) 21.396 2.234 ( -6.083 2.282 -0.879) 6.556 2.518 ( 3.539 1.851 2.126) 4.524 2.593 ( -3.341 2.432 -2.125) 4.647 2.761 ( -6.772 4.216 -1.060) 8.047 3.128 ( 1.574 5.599 2.880) 6.490 3.326 ( -1.046 4.750 -5.536) 7.369 3.571 ( -3.592 4.803 0.918) 6.068 3.757 ( -2.300 1.006 -11.916) 12.178 3.909 ( -2.842 -3.290 8.629) 9.662 4.175 ( -1.974 -4.494 -4.397) 6.590 4.386 ( -3.391 -8.048 2.801) 9.171 4.531 ( 0.856 -0.374 2.342) 2.522 4.745 ( -0.698 -2.318 0.078) 2.422 4.961 ( 17.120 2.975 -1.111) 17.412 9.921 ( -0.139 -0.434 0.289) 0.540 9.958 ( 0.010 0.535 -0.470) 0.712 10.716 ( 0.789 0.282 -0.415) 0.935 25.456 ( 0.880 -1.311 1.761) 2.365 ======================= Grid point 306 (108/146) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.000 3.837 0.375) 3.855 1.495 ( -0.000 16.321 -3.462) 16.684 1.901 ( -0.000 14.510 0.501) 14.519 1.938 ( 0.000 -9.257 1.506) 9.379 2.350 ( 0.000 10.386 11.077) 15.184 2.561 ( -0.000 26.395 5.173) 26.897 3.001 ( -0.000 1.477 -1.983) 2.473 3.059 ( 0.000 -7.700 5.017) 9.190 3.090 ( 0.000 -10.818 10.686) 15.206 3.292 ( -0.000 -5.875 -3.389) 6.783 3.520 ( -0.000 6.027 -1.976) 6.343 3.670 ( -0.000 7.130 -4.686) 8.532 4.101 ( -0.000 1.059 -1.094) 1.523 4.522 ( 0.000 -1.474 -0.082) 1.476 4.692 ( 0.000 -4.304 8.104) 9.177 4.753 ( -0.000 1.307 0.097) 1.311 5.280 ( -0.000 -1.023 -16.631) 16.662 9.917 ( -0.000 0.264 0.061) 0.271 9.937 ( -0.000 0.491 -0.148) 0.513 10.752 ( 0.000 -2.754 -0.055) 2.755 25.802 ( 0.000 -10.706 3.920) 11.401 ======================= Grid point 307 (109/146) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.265 2.762 -0.092) 3.040 1.560 ( -5.250 7.512 -3.006) 9.645 1.943 ( 7.619 -0.948 1.639) 7.851 2.142 ( 10.668 13.251 1.087) 17.046 2.487 ( 1.749 6.377 9.904) 11.908 2.787 ( -5.221 6.747 -0.158) 8.533 2.894 ( -0.516 8.911 -1.685) 9.083 2.976 ( -2.949 -7.435 8.161) 11.427 3.173 ( 10.156 -4.733 0.474) 11.215 3.232 ( -0.388 -3.888 -1.132) 4.068 3.531 ( -0.613 0.608 -3.913) 4.007 3.786 ( 2.019 14.986 -2.499) 15.327 4.086 ( -3.742 3.637 1.590) 5.455 4.535 ( 2.369 -1.772 -0.693) 3.038 4.659 ( -1.839 -6.601 7.599) 10.232 4.759 ( -0.276 1.422 1.666) 2.207 5.173 ( -3.133 -4.895 -13.337) 14.548 9.920 ( -0.041 0.260 0.584) 0.641 9.942 ( 0.263 0.350 -0.653) 0.786 10.724 ( -0.488 -1.689 -0.315) 1.786 25.696 ( -2.574 -8.710 2.280) 9.365 ======================= Grid point 308 (110/146) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -1.281 -0.990 -0.998) 1.902 1.530 ( -0.246 3.176 -0.040) 3.186 2.118 ( 7.893 6.339 1.145) 10.188 2.421 ( 5.281 6.446 -0.604) 8.355 2.586 ( 1.497 2.700 8.274) 8.831 2.671 ( -1.464 -1.057 0.931) 2.032 2.793 ( -5.549 -7.566 -2.329) 9.668 3.145 ( 3.790 4.968 1.076) 6.340 3.201 ( -0.599 9.787 3.285) 10.341 3.294 ( 10.037 -2.735 -6.468) 12.250 3.534 ( 1.065 2.364 -1.543) 3.017 3.958 ( 6.892 6.388 -2.389) 9.696 4.085 ( -5.460 10.401 4.454) 12.563 4.542 ( -0.696 -3.585 1.163) 3.832 4.561 ( -2.596 -5.357 2.915) 6.629 4.777 ( 0.024 -0.387 3.013) 3.037 4.991 ( -5.960 -8.504 -9.183) 13.863 9.924 ( -0.022 0.136 0.871) 0.881 9.946 ( 0.288 0.272 -0.922) 1.004 10.706 ( -0.293 -0.536 -0.265) 0.665 25.581 ( -3.282 -6.094 1.018) 6.996 ======================= Grid point 309 (111/146) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -0.386 -1.652 0.222) 1.711 1.574 ( 1.222 1.963 -0.833) 2.458 2.296 ( 5.190 6.158 2.424) 8.410 2.372 ( -4.640 -2.857 -1.670) 5.699 2.529 ( -8.128 -8.103 3.670) 12.049 2.675 ( -0.539 -0.724 0.486) 1.025 2.856 ( 7.942 9.175 -0.705) 12.156 3.111 ( -2.108 -1.082 -0.593) 2.442 3.349 ( -0.121 7.489 4.116) 8.547 3.478 ( 12.166 7.164 -7.344) 15.915 3.586 ( 1.627 3.476 -0.478) 3.867 4.053 ( -1.261 0.808 2.188) 2.651 4.173 ( 4.833 7.228 0.459) 8.707 4.399 ( -4.000 -9.012 1.537) 9.979 4.573 ( 0.136 0.910 -0.080) 0.924 4.747 ( -4.103 -5.510 2.040) 7.166 4.791 ( -2.814 -4.815 -4.016) 6.872 9.925 ( -0.118 -0.196 0.452) 0.507 9.952 ( 0.308 0.439 -0.504) 0.736 10.702 ( 0.095 0.132 -0.092) 0.187 25.489 ( -2.422 -3.636 0.450) 4.391 ======================= Grid point 310 (112/146) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 2.117 -0.263 -0.515) 2.195 1.581 ( -1.288 0.105 -0.523) 1.394 2.272 ( -6.165 -6.145 2.909) 9.178 2.330 ( -4.753 0.255 3.690) 6.022 2.441 ( 4.595 -1.166 0.813) 4.809 2.634 ( -2.315 -1.709 -0.204) 2.885 2.960 ( -6.260 8.744 -2.605) 11.065 3.120 ( 3.791 -0.433 1.448) 4.081 3.412 ( -2.106 8.266 -0.289) 8.535 3.626 ( -0.100 2.127 -0.148) 2.135 3.681 ( 7.177 1.498 -3.589) 8.163 4.000 ( -3.999 -0.522 0.516) 4.066 4.205 ( -5.643 4.073 -0.870) 7.014 4.370 ( 0.411 -5.855 -0.459) 5.888 4.476 ( 1.344 -8.091 3.805) 9.042 4.734 ( -0.151 -1.054 0.151) 1.075 4.764 ( 6.753 1.774 -1.632) 7.170 9.920 ( -0.206 -0.456 0.001) 0.500 9.961 ( 0.239 0.622 -0.068) 0.669 10.708 ( 0.342 0.230 -0.156) 0.440 25.441 ( -0.443 -1.814 0.636) 1.972 ======================= Grid point 318 (113/146) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 3.080 1.804) 3.570 1.737 ( -0.000 12.826 -4.124) 13.473 1.772 ( 0.000 -8.388 0.027) 8.388 2.193 ( -0.000 13.254 4.131) 13.883 2.538 ( 0.000 2.844 4.291) 5.148 2.868 ( -0.000 -7.471 -14.511) 16.321 2.902 ( 0.000 -10.236 -0.267) 10.239 2.983 ( 0.000 6.056 3.098) 6.803 3.120 ( 0.000 13.112 15.792) 20.526 3.184 ( 0.000 -4.168 -0.347) 4.183 3.520 ( -0.000 -0.895 -4.123) 4.219 3.894 ( -0.000 11.683 -3.872) 12.308 4.195 ( 0.000 9.443 3.668) 10.130 4.496 ( 0.000 -1.076 -0.003) 1.076 4.649 ( 0.000 -5.696 8.348) 10.106 4.772 ( -0.000 0.657 0.002) 0.657 5.095 ( -0.000 -7.610 -11.710) 13.965 9.924 ( 0.000 0.216 0.814) 0.842 9.941 ( -0.000 0.315 -0.760) 0.823 10.713 ( 0.000 -1.121 -0.349) 1.175 25.644 ( 0.000 -7.560 0.836) 7.606 ======================= Grid point 319 (114/146) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -1.302 2.599 1.556) 3.297 1.598 ( -5.995 -1.508 0.113) 6.183 1.994 ( 12.336 6.385 -1.617) 13.985 2.379 ( 6.342 7.738 3.156) 10.491 2.580 ( 2.025 -0.029 2.141) 2.947 2.686 ( -3.348 -6.739 -11.689) 13.901 2.785 ( -3.106 -7.946 -2.282) 8.832 3.058 ( 4.365 -1.221 -1.295) 4.714 3.178 ( 2.578 -1.380 2.981) 4.176 3.341 ( 1.847 16.139 11.172) 19.715 3.514 ( 2.107 0.118 -2.881) 3.571 3.948 ( -0.660 4.749 -4.287) 6.432 4.280 ( -2.949 8.313 4.894) 10.087 4.507 ( 1.658 -1.493 0.500) 2.286 4.604 ( -4.129 0.602 4.451) 6.101 4.782 ( 0.295 -0.047 0.937) 0.983 4.943 ( -3.204 -10.704 -8.899) 14.284 9.929 ( -0.089 0.085 0.952) 0.960 9.942 ( 0.210 0.276 -0.833) 0.902 10.704 ( -0.095 -0.289 -0.196) 0.362 25.568 ( -1.635 -5.400 -0.306) 5.650 ======================= Grid point 320 (115/146) ======================= q-point: ( 0.73 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -3.885 0.549 1.750) 4.296 1.567 ( 0.931 0.309 -0.104) 0.986 2.216 ( 7.746 3.158 1.132) 8.441 2.441 ( -3.147 -1.127 -6.133) 6.985 2.522 ( -1.135 -8.344 -7.125) 11.031 2.647 ( 1.154 -2.840 0.287) 3.078 2.759 ( 7.949 2.506 3.450) 9.021 3.108 ( 3.115 -0.165 -3.611) 4.772 3.259 ( 6.632 1.517 1.483) 6.963 3.548 ( 1.966 11.891 9.018) 15.053 3.568 ( 2.925 2.975 -0.130) 4.174 3.971 ( 2.974 0.518 -3.667) 4.749 4.253 ( -4.308 -3.711 3.438) 6.645 4.461 ( -4.827 -0.740 0.980) 4.981 4.618 ( -3.471 6.289 -1.126) 7.271 4.750 ( -3.555 -6.866 -2.723) 8.197 4.776 ( -0.895 -1.743 0.151) 1.965 9.928 ( -0.250 -0.221 0.215) 0.397 9.949 ( 0.406 0.421 -0.092) 0.592 10.703 ( 0.006 0.288 0.053) 0.293 25.494 ( -2.059 -3.090 -0.829) 3.804 ======================= Grid point 330 (116/146) ======================= q-point: ( 0.64 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.000 1.837 2.723) 3.285 1.640 ( 0.000 -4.271 -0.065) 4.271 1.935 ( -0.000 9.425 0.488) 9.438 2.400 ( 0.000 2.865 2.298) 3.673 2.531 ( -0.000 -10.233 -13.303) 16.783 2.580 ( -0.000 -0.842 -8.592) 8.634 2.716 ( -0.000 -5.560 -1.923) 5.883 3.093 ( 0.000 2.580 8.924) 9.290 3.118 ( 0.000 -2.256 -0.609) 2.337 3.467 ( -0.000 -0.326 -3.831) 3.845 3.514 ( 0.000 11.976 12.198) 17.094 3.990 ( -0.000 4.121 -4.368) 6.005 4.343 ( 0.000 -4.365 6.589) 7.904 4.486 ( 0.000 -0.143 0.561) 0.579 4.720 ( -0.000 10.467 0.549) 10.481 4.777 ( -0.000 0.013 -0.408) 0.409 4.833 ( -0.000 -10.042 -5.927) 11.660 9.936 ( 0.000 0.099 1.459) 1.462 9.938 ( -0.000 0.115 -1.232) 1.237 10.704 ( -0.000 0.225 -0.006) 0.225 25.534 ( -0.000 -3.671 -1.403) 3.930 ======================= Grid point 331 (117/146) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.555 -3.601 -0.413) 3.667 1.573 ( -4.892 3.459 3.340) 6.860 2.120 ( 9.057 4.689 2.443) 10.487 2.337 ( -0.502 -12.729 -21.163) 24.701 2.416 ( 4.965 -4.237 -0.659) 6.560 2.597 ( 1.498 -0.533 -1.233) 2.012 2.720 ( 1.533 0.589 1.219) 2.045 3.044 ( -0.122 1.899 -1.898) 2.688 3.227 ( 4.171 1.691 6.316) 7.756 3.486 ( 4.929 -1.027 -2.584) 5.659 3.658 ( 1.251 5.716 12.539) 13.837 3.985 ( -2.647 2.997 -5.389) 6.711 4.271 ( -3.152 -8.072 5.464) 10.245 4.488 ( -0.565 -0.506 0.202) 0.785 4.630 ( -2.600 -12.282 -6.414) 14.098 4.774 ( -0.187 -0.768 -0.161) 0.807 4.873 ( -3.605 17.100 1.269) 17.522 9.930 ( -0.300 -0.139 -0.562) 0.652 9.946 ( 0.388 0.186 0.810) 0.917 10.708 ( -0.026 0.673 0.246) 0.717 25.493 ( -1.152 -1.601 -1.938) 2.765 ======================= Grid point 342 (118/146) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.000 -4.619 -0.462) 4.642 1.679 ( 0.000 4.409 2.510) 5.073 2.071 ( 0.000 -0.510 5.153) 5.179 2.135 ( -0.000 -12.704 -23.022) 26.295 2.282 ( 0.000 -8.691 -2.189) 8.962 2.613 ( -0.000 4.239 -0.322) 4.251 2.709 ( -0.000 1.801 -1.903) 2.620 3.121 ( -0.000 3.942 -0.502) 3.974 3.178 ( 0.000 0.235 5.540) 5.545 3.411 ( 0.000 -4.651 0.495) 4.678 3.711 ( 0.000 -0.915 9.975) 10.017 4.007 ( -0.000 -0.966 -6.338) 6.411 4.247 ( 0.000 -6.453 5.443) 8.442 4.496 ( 0.000 0.543 0.852) 1.010 4.513 ( -0.000 -10.153 -4.795) 11.229 4.770 ( -0.000 -0.299 -0.626) 0.694 5.080 ( -0.000 18.189 0.128) 18.189 9.928 ( -0.000 -0.088 -1.464) 1.467 9.948 ( 0.000 -0.060 1.761) 1.762 10.718 ( 0.000 1.097 0.431) 1.179 25.487 ( -0.000 0.286 -2.552) 2.568 ======================= Grid point 403 (119/146) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 0.000 -0.000 15.112) 15.112 0.521 ( 0.000 -0.000 15.112) 15.112 1.454 ( -0.000 0.000 -9.932) 9.932 1.454 ( -0.000 0.000 -9.932) 9.932 1.548 ( 0.000 -0.000 34.113) 34.113 2.372 ( 0.000 -0.000 0.082) 0.082 2.937 ( 0.000 -0.000 13.789) 13.789 3.243 ( 0.000 -0.000 5.832) 5.832 3.243 ( 0.000 -0.000 5.832) 5.832 3.546 ( -0.000 0.000 -3.290) 3.290 3.546 ( -0.000 0.000 -3.290) 3.290 3.613 ( 0.000 -0.000 1.533) 1.533 4.611 ( -0.000 0.000 -0.296) 0.296 4.611 ( -0.000 0.000 -0.296) 0.296 4.657 ( 0.000 -0.000 0.121) 0.121 4.657 ( -0.000 -0.000 0.121) 0.121 4.895 ( -0.000 0.000 -26.836) 26.836 9.903 ( 0.000 -0.000 0.745) 0.745 9.903 ( 0.000 -0.000 0.745) 0.745 10.926 ( 0.000 -0.000 2.440) 2.440 26.380 ( -0.000 0.000 -0.028) 0.028 ======================= Grid point 404 (120/146) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 11.897 6.869 10.864) 17.514 0.955 ( 22.659 13.082 5.310) 26.697 1.515 ( 8.131 4.694 -9.098) 13.074 1.592 ( 15.098 8.717 -5.860) 18.393 1.720 ( 6.506 3.756 26.457) 27.503 2.309 ( -5.064 -2.924 0.354) 5.858 2.913 ( -5.874 -3.391 16.559) 17.894 3.216 ( -3.944 -2.277 6.267) 7.747 3.241 ( -2.971 -1.715 6.679) 7.509 3.496 ( -2.473 -1.428 -4.251) 5.121 3.501 ( -1.116 -0.644 -2.928) 3.199 3.723 ( 6.473 3.737 0.457) 7.488 4.326 ( -12.752 -7.363 -3.086) 15.045 4.587 ( -1.836 -1.060 0.139) 2.125 4.639 ( 0.584 0.337 -0.269) 0.726 4.685 ( 2.114 1.221 -0.253) 2.454 5.128 ( 14.016 8.092 -23.658) 28.664 9.900 ( -0.165 -0.096 0.830) 0.851 9.921 ( 0.980 0.566 -0.107) 1.137 10.891 ( -3.461 -1.998 2.275) 4.599 26.240 ( -10.915 -6.302 4.563) 13.405 ======================= Grid point 405 (121/146) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 15.010 8.666 5.362) 18.142 1.322 ( 9.856 5.691 0.094) 11.381 1.728 ( 13.356 7.711 -6.828) 16.866 1.952 ( 9.994 5.770 11.901) 16.577 2.030 ( 11.229 6.483 3.727) 13.492 2.269 ( 10.047 5.800 2.998) 11.982 2.837 ( -5.451 -3.147 11.499) 13.109 3.146 ( -3.367 -1.944 6.650) 7.703 3.159 ( -6.760 -3.903 7.194) 10.616 3.416 ( -3.253 -1.878 -4.726) 6.037 3.498 ( 1.256 0.725 -1.247) 1.913 3.818 ( 1.444 0.834 -2.234) 2.787 4.102 ( -6.104 -3.524 -4.255) 8.234 4.549 ( -1.631 -0.942 0.307) 1.908 4.691 ( 2.977 1.719 4.771) 5.880 4.727 ( 1.714 0.989 -0.302) 2.002 5.237 ( 3.697 2.135 -19.988) 20.439 9.901 ( 0.001 0.000 0.998) 0.998 9.939 ( 0.872 0.504 -1.039) 1.447 10.814 ( -3.745 -2.162 1.201) 4.488 26.006 ( -11.591 -6.692 6.045) 14.686 ======================= Grid point 406 (122/146) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 14.802 8.546 2.139) 17.226 1.462 ( 4.555 2.630 -2.018) 5.633 1.907 ( -7.628 -4.404 3.404) 9.443 2.019 ( 14.488 8.365 -5.303) 17.550 2.291 ( 6.070 3.505 16.960) 18.351 2.676 ( 8.311 4.798 2.503) 9.918 2.796 ( 7.857 4.536 -1.731) 9.236 3.008 ( -9.082 -5.244 6.876) 12.541 3.183 ( 5.938 3.428 4.622) 8.269 3.319 ( -4.234 -2.445 -3.786) 6.184 3.532 ( 0.995 0.574 1.841) 2.170 3.770 ( -1.107 -0.639 -8.808) 8.900 4.062 ( 2.426 1.401 0.962) 2.962 4.520 ( -1.110 -0.641 0.047) 1.283 4.755 ( 0.925 0.534 -0.038) 1.068 4.762 ( 0.472 0.272 7.505) 7.525 5.171 ( -3.484 -2.011 -14.671) 15.213 9.907 ( 0.113 0.065 1.214) 1.221 9.951 ( 0.638 0.368 -1.539) 1.706 10.746 ( -2.498 -1.442 0.192) 2.891 25.789 ( -9.777 -5.645 4.490) 12.150 ======================= Grid point 407 (123/146) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.387 1.956 -3.348) 5.148 1.689 ( 13.398 7.735 0.188) 15.471 1.752 ( -6.971 -4.025 1.488) 8.186 2.294 ( 11.605 6.700 -5.114) 14.343 2.372 ( -4.814 -2.779 24.484) 25.107 2.625 ( -3.818 -2.204 -0.916) 4.502 2.824 ( -9.448 -5.455 6.412) 12.654 3.081 ( 10.623 6.133 -6.941) 14.094 3.206 ( -4.875 -2.815 -1.881) 5.936 3.366 ( 6.094 3.519 1.638) 7.225 3.530 ( 2.961 1.709 -9.071) 9.694 3.831 ( 6.047 3.491 1.312) 7.104 4.204 ( 10.241 5.913 3.083) 12.221 4.501 ( -0.523 -0.302 -0.429) 0.740 4.740 ( -4.436 -2.561 4.174) 6.608 4.768 ( 0.262 0.151 0.326) 0.445 5.000 ( -8.056 -4.651 -7.152) 11.734 9.914 ( 0.146 0.084 1.410) 1.420 9.956 ( 0.365 0.211 -1.778) 1.828 10.709 ( -0.883 -0.510 -0.103) 1.024 25.618 ( -6.923 -3.997 2.963) 8.526 ======================= Grid point 408 (124/146) ======================= q-point: ( 0.73 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -0.103 -0.059 -3.859) 3.860 1.635 ( -1.962 -1.133 0.803) 2.404 1.950 ( 10.261 5.924 -2.223) 12.055 2.288 ( -10.171 -5.872 24.138) 26.844 2.422 ( -1.230 -0.710 -1.661) 2.185 2.575 ( -0.124 -0.072 -1.050) 1.060 2.690 ( -2.271 -1.311 2.810) 3.843 3.112 ( -2.741 -1.582 0.569) 3.216 3.181 ( 2.176 1.256 -7.449) 7.862 3.420 ( 0.408 0.236 4.185) 4.212 3.665 ( 9.141 5.278 -14.152) 17.655 3.944 ( 3.414 1.971 4.079) 5.673 4.390 ( -1.193 -0.689 -1.700) 2.188 4.494 ( 0.036 0.021 -0.807) 0.808 4.686 ( -1.175 -0.678 5.893) 6.047 4.771 ( -0.101 -0.058 0.593) 0.605 4.816 ( -1.280 -0.739 -2.213) 2.661 9.922 ( 0.081 0.047 1.509) 1.511 9.954 ( 0.109 0.063 -1.858) 1.863 10.704 ( 0.335 0.194 -0.107) 0.402 25.513 ( -3.412 -1.970 2.286) 4.556 ======================= Grid point 415 (125/146) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 0.000 15.841 8.559) 18.005 0.913 ( -0.000 23.620 5.952) 24.359 1.452 ( -0.000 7.741 -8.929) 11.817 1.587 ( -0.000 18.974 -5.791) 19.838 1.806 ( 0.000 6.434 22.006) 22.927 2.306 ( 0.000 -6.516 0.288) 6.522 2.980 ( 0.000 -6.231 18.008) 19.055 3.244 ( 0.000 -3.437 6.284) 7.163 3.309 ( 0.000 1.015 9.018) 9.075 3.469 ( -0.000 -3.546 -3.958) 5.314 3.502 ( -0.000 -2.791 -4.169) 5.017 3.659 ( -0.000 0.917 0.285) 0.960 4.279 ( -0.000 -14.213 -6.347) 15.566 4.579 ( 0.000 -1.689 0.302) 1.716 4.688 ( -0.000 1.955 -0.291) 1.976 4.694 ( 0.000 2.279 2.260) 3.209 5.045 ( -0.000 17.918 -24.109) 30.039 9.907 ( 0.000 0.176 0.331) 0.375 9.916 ( 0.000 0.504 0.443) 0.671 10.899 ( 0.000 -4.012 2.115) 4.535 26.256 ( 0.000 -11.520 3.459) 12.028 ======================= Grid point 416 (126/146) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.174 16.767 4.551) 17.868 1.229 ( 9.178 11.430 0.126) 14.659 1.606 ( 9.686 11.458 -6.028) 16.169 1.882 ( 11.846 20.456 0.873) 23.655 2.016 ( 6.033 12.536 14.094) 19.803 2.218 ( -0.853 -5.669 -0.219) 5.737 2.942 ( -5.024 -4.386 13.922) 15.437 3.198 ( -3.167 -3.930 7.411) 8.967 3.292 ( -6.654 -1.101 9.655) 11.777 3.406 ( -1.440 -3.803 -3.824) 5.582 3.467 ( 1.989 -0.762 -3.220) 3.861 3.713 ( 5.628 -4.258 -3.501) 7.878 4.121 ( -3.613 -5.855 -5.531) 8.828 4.615 ( 3.699 -2.095 0.378) 4.268 4.641 ( -3.906 4.143 1.548) 5.901 4.737 ( 0.409 1.749 3.359) 3.809 5.148 ( 3.626 8.791 -21.106) 23.149 9.907 ( -0.157 0.196 0.670) 0.716 9.928 ( 0.623 0.462 -0.460) 0.901 10.843 ( -2.408 -4.017 1.431) 4.897 26.095 ( -6.691 -11.339 4.552) 13.930 ======================= Grid point 417 (127/146) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 8.529 11.834 1.330) 14.648 1.404 ( 5.232 3.950 -1.653) 6.761 1.882 ( 9.229 11.096 -1.332) 14.494 2.044 ( -4.716 1.145 0.573) 4.886 2.257 ( 10.039 12.593 9.589) 18.744 2.486 ( 19.582 13.112 -0.500) 23.572 2.842 ( -6.524 -3.620 6.864) 10.139 3.129 ( -6.679 -6.183 7.328) 11.685 3.205 ( -2.796 3.610 7.294) 8.605 3.325 ( -2.632 -3.936 -2.442) 5.328 3.524 ( 3.643 3.002 -0.726) 4.776 3.695 ( 2.169 -6.449 -9.733) 11.876 4.042 ( -0.192 -0.634 -1.125) 1.306 4.568 ( -3.801 0.947 -0.077) 3.918 4.722 ( 3.591 0.416 0.611) 3.667 4.770 ( 0.938 -0.649 8.276) 8.354 5.149 ( -1.127 1.776 -16.173) 16.309 9.911 ( 0.023 0.217 1.029) 1.052 9.939 ( 0.584 0.372 -1.202) 1.387 10.771 ( -2.498 -2.744 0.501) 3.744 25.885 ( -8.172 -9.209 3.750) 12.870 ======================= Grid point 418 (128/146) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 4.650 1.404 -1.676) 5.138 1.540 ( 8.364 2.865 -1.187) 8.920 1.910 ( -6.149 5.606 3.600) 9.067 2.213 ( 8.652 14.129 -4.379) 17.136 2.483 ( 1.509 4.099 14.975) 15.599 2.688 ( -5.640 -3.630 3.710) 7.665 2.898 ( 12.523 5.434 -4.678) 14.431 2.951 ( -7.514 -4.431 5.467) 10.295 3.234 ( -2.742 -3.303 -1.159) 4.447 3.305 ( 4.882 6.973 -1.625) 8.666 3.543 ( -2.294 -0.212 -6.240) 6.652 3.744 ( 8.215 5.238 0.378) 9.750 4.097 ( 7.182 1.027 1.132) 7.342 4.526 ( -2.186 0.748 -0.033) 2.311 4.727 ( -0.580 -4.724 1.399) 4.960 4.800 ( -0.406 -0.558 4.037) 4.096 5.043 ( -5.158 -2.972 -7.960) 9.940 9.919 ( 0.108 0.209 1.274) 1.296 9.945 ( 0.427 0.245 -1.549) 1.625 10.721 ( -1.357 -1.226 0.049) 1.829 25.694 ( -6.970 -6.689 2.433) 9.962 ======================= Grid point 419 (129/146) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 3.997 -0.569 -2.740) 4.880 1.601 ( 1.181 -5.354 -0.590) 5.515 1.978 ( 0.601 14.759 1.287) 14.827 2.415 ( 3.224 6.886 -3.050) 8.192 2.491 ( -9.166 -3.450 21.107) 23.268 2.599 ( -1.716 1.875 -1.419) 2.911 2.774 ( -5.976 -3.971 1.283) 7.289 3.046 ( 0.339 -1.431 0.669) 1.616 3.209 ( 0.694 2.834 -3.323) 4.422 3.458 ( 3.633 5.740 -1.032) 6.871 3.522 ( 5.064 5.198 -11.857) 13.902 3.902 ( 4.305 1.637 4.473) 6.421 4.304 ( 10.728 1.911 0.526) 10.909 4.514 ( -1.091 1.768 -0.730) 2.203 4.639 ( 0.652 -6.110 -1.145) 6.250 4.789 ( -1.235 0.233 0.481) 1.345 4.877 ( -7.832 -6.865 1.393) 10.508 9.927 ( 0.092 0.075 1.272) 1.278 9.947 ( 0.206 0.188 -1.547) 1.572 10.703 ( -0.132 -0.136 -0.010) 0.189 25.556 ( -4.274 -4.133 1.758) 6.200 ======================= Grid point 427 (130/146) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.000 16.692 -0.040) 16.692 1.274 ( -0.000 11.282 0.598) 11.297 1.620 ( -0.000 14.227 -2.675) 14.476 2.002 ( -0.000 20.523 2.541) 20.680 2.116 ( 0.000 5.821 2.701) 6.417 2.201 ( 0.000 6.436 7.345) 9.766 3.000 ( 0.000 -2.415 8.838) 9.162 3.207 ( 0.000 -5.583 6.465) 8.542 3.330 ( 0.000 -9.130 8.200) 12.272 3.385 ( -0.000 -5.396 -5.012) 7.364 3.418 ( 0.000 2.727 2.527) 3.718 3.626 ( -0.000 -1.684 -4.581) 4.880 4.092 ( -0.000 -1.929 -4.790) 5.164 4.551 ( 0.000 -1.578 0.192) 1.590 4.723 ( -0.000 1.843 -0.086) 1.845 4.759 ( 0.000 0.455 7.240) 7.255 5.134 ( -0.000 9.064 -20.586) 22.493 9.912 ( 0.000 0.230 0.301) 0.379 9.927 ( -0.000 0.481 -0.151) 0.504 10.824 ( 0.000 -4.606 0.957) 4.704 26.045 ( 0.000 -12.903 3.566) 13.387 ======================= Grid point 428 (131/146) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 1.507 13.399 -2.184) 13.659 1.381 ( 2.323 5.725 0.040) 6.178 1.854 ( 9.597 15.659 0.835) 18.385 2.048 ( 1.095 -6.126 0.411) 6.237 2.312 ( 6.521 15.914 3.062) 17.469 2.419 ( 5.152 21.144 5.629) 22.479 2.926 ( -6.325 -4.334 1.055) 7.740 3.177 ( -2.220 -6.993 7.705) 10.639 3.259 ( 0.424 -4.832 5.293) 7.179 3.319 ( -0.415 -4.949 -2.119) 5.399 3.484 ( 2.065 3.425 1.353) 4.222 3.594 ( 0.360 0.776 -6.710) 6.765 4.054 ( -2.019 0.382 -1.947) 2.831 4.572 ( 2.678 -2.326 -0.410) 3.571 4.720 ( -1.393 2.602 0.478) 2.989 4.783 ( -0.016 -1.954 9.181) 9.387 5.130 ( -0.565 3.555 -16.275) 16.668 9.916 ( 0.030 0.292 0.716) 0.774 9.932 ( 0.269 0.412 -0.734) 0.884 10.774 ( -1.303 -3.565 0.306) 3.808 25.900 ( -4.161 -11.490 2.451) 12.464 ======================= Grid point 429 (132/146) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 1.817 5.020 -1.170) 5.466 1.459 ( 3.027 3.053 -0.655) 4.349 2.027 ( 0.489 3.030 3.039) 4.319 2.194 ( 10.400 15.107 -2.129) 18.464 2.529 ( 3.989 7.842 6.638) 11.021 2.703 ( 1.837 3.290 -0.544) 3.807 2.820 ( 2.296 5.635 -0.990) 6.165 3.028 ( -5.951 -7.467 5.711) 11.126 3.239 ( -2.326 -4.020 -0.038) 4.644 3.310 ( 2.345 0.736 -1.106) 2.695 3.502 ( 1.128 -0.633 -3.859) 4.069 3.711 ( 6.549 12.816 -0.136) 14.393 4.033 ( 0.157 0.073 0.159) 0.235 4.561 ( -1.026 -1.133 -0.390) 1.578 4.706 ( -1.700 -3.864 1.343) 4.430 4.802 ( 0.728 -1.318 5.740) 5.934 5.058 ( -3.282 -2.124 -8.793) 9.622 9.924 ( 0.089 0.268 1.055) 1.092 9.937 ( 0.305 0.327 -1.143) 1.228 10.727 ( -1.130 -1.853 -0.016) 2.170 25.729 ( -5.256 -8.795 1.265) 10.323 ======================= Grid point 430 (133/146) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.709 -1.304 -0.589) 1.597 1.534 ( 3.189 0.925 -0.816) 3.419 2.117 ( 0.524 11.032 1.398) 11.133 2.420 ( 2.987 5.338 -0.522) 6.139 2.635 ( -0.840 2.203 8.026) 8.365 2.642 ( -2.005 1.267 -1.544) 2.830 2.776 ( -3.841 -7.834 -0.662) 8.750 3.121 ( -1.572 7.388 4.642) 8.866 3.191 ( 3.646 2.519 2.179) 4.938 3.352 ( 6.125 3.764 -12.817) 14.696 3.524 ( 1.051 2.385 0.143) 2.610 3.928 ( 0.410 10.000 3.361) 10.557 4.114 ( 12.291 0.830 -0.900) 12.352 4.543 ( -0.520 1.146 0.066) 1.260 4.590 ( -4.161 -9.281 -0.862) 10.207 4.803 ( -0.687 -0.721 -0.087) 1.000 4.924 ( -5.646 -7.521 0.792) 9.438 9.929 ( 0.024 -0.021 0.555) 0.556 9.941 ( 0.274 0.422 -0.660) 0.830 10.704 ( -0.344 -0.468 0.014) 0.581 25.583 ( -4.141 -5.889 0.658) 7.229 ======================= Grid point 439 (134/146) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.000 4.216 1.501) 4.475 1.450 ( -0.000 15.247 -4.326) 15.849 1.922 ( -0.000 16.266 3.085) 16.556 1.945 ( 0.000 -9.611 -0.278) 9.615 2.414 ( -0.000 13.797 2.234) 13.977 2.628 ( -0.000 22.170 6.029) 22.975 2.946 ( -0.000 -4.943 -8.107) 9.495 3.094 ( 0.000 -9.654 0.896) 9.696 3.204 ( 0.000 -7.208 7.458) 10.372 3.266 ( 0.000 -4.330 -0.816) 4.406 3.524 ( 0.000 0.097 3.275) 3.276 3.624 ( -0.000 10.481 -2.690) 10.821 4.088 ( -0.000 3.133 -1.209) 3.358 4.521 ( 0.000 -1.550 -0.079) 1.552 4.754 ( -0.000 1.335 0.097) 1.339 4.790 ( 0.000 -4.086 9.315) 10.172 5.108 ( -0.000 1.472 -13.756) 13.834 9.922 ( 0.000 0.361 0.866) 0.938 9.931 ( -0.000 0.379 -0.800) 0.885 10.752 ( 0.000 -3.154 -0.053) 3.155 25.829 ( 0.000 -11.346 1.046) 11.394 ======================= Grid point 440 (135/146) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.067 3.469 0.884) 3.581 1.538 ( -3.544 8.391 -0.899) 9.153 1.941 ( 8.572 -2.713 -1.836) 9.177 2.169 ( 8.873 14.697 3.555) 17.532 2.547 ( 3.188 5.942 1.304) 6.868 2.762 ( -5.124 -2.118 -6.084) 8.231 2.871 ( -0.279 10.208 -0.427) 10.221 3.003 ( 0.520 -7.702 -3.267) 8.383 3.222 ( 0.793 -3.053 2.174) 3.831 3.242 ( 2.890 -1.143 7.585) 8.197 3.506 ( -0.540 -0.330 -0.071) 0.637 3.759 ( 2.289 13.541 -2.160) 13.902 4.100 ( -3.252 6.204 0.607) 7.031 4.528 ( 1.905 -1.692 -0.445) 2.586 4.722 ( -3.427 -4.125 2.700) 6.004 4.796 ( 1.059 -1.617 4.624) 5.012 5.045 ( -1.881 -3.290 -8.361) 9.180 9.929 ( -0.007 0.279 0.788) 0.836 9.933 ( 0.182 0.369 -0.680) 0.795 10.722 ( -0.467 -1.838 -0.171) 1.904 25.708 ( -2.512 -9.307 -0.119) 9.641 ======================= Grid point 451 (136/146) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 0.000 3.479 3.324) 4.812 1.702 ( -0.000 14.033 -2.220) 14.208 1.766 ( 0.000 -8.350 -1.014) 8.411 2.241 ( 0.000 13.417 4.691) 14.214 2.554 ( -0.000 1.880 -3.478) 3.953 2.682 ( -0.000 -10.328 -16.128) 19.152 2.880 ( -0.000 -10.913 -3.715) 11.528 3.019 ( 0.000 11.068 4.379) 11.903 3.189 ( 0.000 -4.480 1.124) 4.618 3.301 ( 0.000 10.165 14.367) 17.599 3.483 ( -0.000 -2.139 -1.721) 2.746 3.857 ( -0.000 10.075 -3.033) 10.522 4.218 ( -0.000 11.746 0.478) 11.756 4.497 ( 0.000 -0.882 0.250) 0.917 4.734 ( 0.000 -6.951 5.770) 9.033 4.771 ( -0.000 0.508 -0.188) 0.542 4.990 ( -0.000 -6.535 -6.015) 8.882 9.929 ( -0.000 0.244 -1.290) 1.313 9.938 ( 0.000 0.324 1.530) 1.564 10.710 ( 0.000 -1.108 -0.173) 1.121 25.642 ( 0.000 -8.065 -1.248) 8.162 ======================= Grid point 537 (137/146) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 0.000 -0.000 12.854) 12.854 0.675 ( 0.000 -0.000 12.854) 12.854 1.343 ( -0.000 0.000 -10.010) 10.010 1.343 ( -0.000 0.000 -10.010) 10.010 1.831 ( 0.000 -0.000 17.796) 17.796 2.373 ( 0.000 -0.000 0.084) 0.084 3.148 ( 0.000 -0.000 24.379) 24.379 3.308 ( 0.000 -0.000 5.946) 5.946 3.308 ( 0.000 -0.000 5.946) 5.946 3.506 ( -0.000 0.000 -4.105) 4.105 3.506 ( -0.000 0.000 -4.105) 4.105 3.626 ( 0.000 -0.000 0.598) 0.598 4.581 ( -0.000 0.000 -29.711) 29.711 4.608 ( -0.000 0.000 -0.216) 0.216 4.608 ( -0.000 0.000 -0.216) 0.216 4.658 ( 0.000 -0.000 0.083) 0.083 4.658 ( -0.000 -0.000 0.083) 0.083 9.910 ( 0.000 -0.000 0.569) 0.569 9.910 ( 0.000 -0.000 0.569) 0.569 10.950 ( 0.000 -0.000 1.835) 1.835 26.380 ( -0.000 0.000 -0.021) 0.021 ======================= Grid point 538 (138/146) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 9.223 5.325 9.853) 14.509 0.999 ( 17.916 10.344 2.556) 20.845 1.418 ( 9.181 5.301 -8.091) 13.337 1.535 ( 19.280 11.131 -4.051) 22.628 1.929 ( 4.696 2.712 12.228) 13.376 2.312 ( -4.978 -2.874 0.070) 5.749 3.115 ( -8.357 -4.825 17.986) 20.411 3.295 ( -3.671 -2.120 8.529) 9.524 3.314 ( -2.468 -1.425 6.568) 7.159 3.445 ( -2.939 -1.697 -5.067) 6.098 3.476 ( -0.737 -0.425 -0.809) 1.174 3.717 ( 5.826 3.364 -2.176) 7.071 4.247 ( -10.876 -6.279 -11.068) 16.740 4.588 ( -1.601 -0.925 -0.071) 1.851 4.647 ( 3.034 1.752 2.273) 4.176 4.683 ( 1.934 1.116 -0.083) 2.234 4.908 ( 12.503 7.218 -15.941) 21.507 9.909 ( -0.065 -0.037 0.770) 0.774 9.919 ( 0.472 0.273 -0.173) 0.572 10.912 ( -3.593 -2.074 1.555) 4.431 26.274 ( -8.836 -5.101 1.900) 10.378 ======================= Grid point 539 (139/146) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 13.061 7.541 5.669) 16.112 1.306 ( 9.455 5.459 -2.140) 11.125 1.660 ( 14.200 8.198 -5.463) 17.282 2.020 ( 21.345 12.324 1.833) 24.715 2.077 ( -2.034 -1.174 4.310) 4.909 2.288 ( 12.049 6.957 0.117) 13.914 2.974 ( -8.630 -4.982 11.417) 15.154 3.230 ( -3.953 -2.282 8.900) 10.002 3.234 ( -6.993 -4.038 6.324) 10.257 3.361 ( -2.770 -1.599 -5.046) 5.974 3.492 ( 2.159 1.247 0.579) 2.559 3.757 ( -1.828 -1.055 -9.928) 10.150 4.055 ( -2.876 -1.661 -3.180) 4.598 4.552 ( -1.606 -0.927 0.163) 1.862 4.724 ( 1.744 1.007 -0.222) 2.026 4.768 ( 4.564 2.635 9.302) 10.691 5.037 ( 4.996 2.884 -15.969) 16.979 9.912 ( 0.109 0.063 1.001) 1.009 9.928 ( 0.515 0.297 -0.991) 1.155 10.826 ( -4.202 -2.426 0.876) 4.930 26.054 ( -11.275 -6.510 2.721) 13.301 ======================= Grid point 540 (140/146) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 13.594 7.849 3.626) 16.110 1.434 ( 4.113 2.375 -2.657) 5.442 1.934 ( -8.237 -4.756 1.699) 9.662 1.964 ( 14.605 8.432 -4.574) 17.474 2.407 ( 11.859 6.847 4.472) 14.405 2.680 ( 16.952 9.787 -2.933) 19.793 2.839 ( -6.172 -3.563 9.668) 12.011 3.072 ( -9.146 -5.280 4.563) 11.504 3.226 ( 1.643 0.949 2.341) 3.013 3.280 ( -3.496 -2.018 -2.983) 5.019 3.549 ( -1.239 -0.716 0.711) 1.598 3.661 ( 4.009 2.314 -9.686) 10.735 4.074 ( 3.453 1.994 1.299) 4.193 4.520 ( -1.281 -0.739 0.068) 1.481 4.755 ( 1.079 0.623 -0.075) 1.249 4.839 ( -1.556 -0.899 3.729) 4.139 5.044 ( -0.084 -0.048 -5.467) 5.468 9.920 ( 0.211 0.122 1.198) 1.222 9.935 ( 0.465 0.269 -1.413) 1.512 10.750 ( -2.773 -1.601 0.302) 3.217 25.824 ( -10.014 -5.782 1.880) 11.715 ======================= Grid point 549 (141/146) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 12.007 4.237) 12.732 0.972 ( -0.000 18.649 4.665) 19.224 1.370 ( -0.000 9.689 -5.282) 11.035 1.533 ( -0.000 23.239 -3.823) 23.551 1.967 ( 0.000 5.373 8.207) 9.809 2.309 ( 0.000 -6.317 0.204) 6.320 3.167 ( 0.000 -9.921 13.487) 16.743 3.312 ( 0.000 -3.002 6.221) 6.907 3.392 ( -0.000 0.803 0.174) 0.821 3.451 ( -0.000 -3.228 -5.142) 6.071 3.472 ( 0.000 -1.755 11.039) 11.178 3.644 ( -0.000 0.130 -3.644) 3.646 4.185 ( -0.000 -10.871 -9.436) 14.395 4.583 ( 0.000 -1.591 0.326) 1.624 4.685 ( -0.000 1.941 -0.235) 1.955 4.725 ( 0.000 4.980 3.747) 6.232 4.822 ( -0.000 14.675 -16.089) 21.776 9.911 ( 0.000 0.004 0.494) 0.494 9.918 ( -0.000 0.338 -0.014) 0.339 10.917 ( 0.000 -4.124 1.138) 4.278 26.280 ( 0.000 -9.696 1.261) 9.777 ======================= Grid point 550 (142/146) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 5.186 12.773 2.057) 13.938 1.226 ( 7.437 11.195 -0.307) 13.444 1.557 ( 9.343 13.917 -2.491) 16.947 1.888 ( 13.480 23.130 0.233) 26.772 2.114 ( 5.504 11.735 4.362) 13.676 2.213 ( -2.156 -6.497 -0.467) 6.861 3.060 ( -5.620 -8.279 5.953) 11.643 3.283 ( -2.115 -3.364 7.729) 8.691 3.358 ( -2.240 -3.306 -5.253) 6.599 3.372 ( -4.314 -0.811 2.020) 4.832 3.482 ( -0.678 -0.548 8.317) 8.362 3.647 ( 2.966 -6.325 -8.425) 10.945 4.064 ( -2.210 -3.270 -3.551) 5.309 4.616 ( 0.357 -1.695 -0.018) 1.732 4.654 ( 0.399 3.544 0.625) 3.621 4.798 ( 0.969 3.880 7.736) 8.709 4.949 ( 4.850 8.128 -14.471) 17.291 9.915 ( 0.104 0.136 0.705) 0.726 9.922 ( 0.194 0.331 -0.592) 0.705 10.855 ( -2.541 -4.344 0.597) 5.068 26.127 ( -6.313 -10.842 1.418) 12.626 ======================= Grid point 551 (143/146) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 9.207 9.039 1.989) 13.055 1.387 ( 4.508 4.381 -1.181) 6.396 1.866 ( 10.293 15.927 -1.395) 19.015 2.048 ( -6.332 -2.339 0.222) 6.754 2.316 ( 11.203 15.599 1.998) 19.308 2.468 ( 17.571 12.445 -3.004) 21.740 2.910 ( -4.913 -7.496 4.240) 9.915 3.202 ( -8.893 -6.237 3.977) 11.567 3.269 ( -2.536 1.928 3.437) 4.686 3.304 ( -3.406 -2.049 -0.421) 3.996 3.533 ( 2.822 -0.168 2.646) 3.872 3.569 ( 2.317 -2.138 -11.584) 12.005 4.039 ( 1.362 -0.400 0.580) 1.534 4.568 ( -3.490 0.824 0.202) 3.592 4.723 ( 2.841 0.161 -0.156) 2.850 4.851 ( -0.229 -0.949 1.850) 2.092 5.023 ( 2.164 3.070 -2.117) 4.312 9.922 ( 0.204 0.231 0.915) 0.965 9.926 ( 0.292 0.326 -0.993) 1.085 10.775 ( -2.616 -2.997 0.170) 3.982 25.910 ( -8.109 -9.374 0.689) 12.414 ======================= Grid point 561 (144/146) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.000 14.598 -3.762) 15.075 1.285 ( -0.000 10.808 1.528) 10.916 1.617 ( -0.000 16.253 2.070) 16.384 2.022 ( -0.000 24.654 1.019) 24.675 2.111 ( -0.000 -3.452 -2.036) 4.008 2.268 ( -0.000 13.545 3.999) 14.123 3.045 ( 0.000 -7.905 -1.075) 7.978 3.266 ( 0.000 -7.532 2.898) 8.070 3.319 ( -0.000 -4.825 -6.079) 7.762 3.335 ( -0.000 -3.546 -2.767) 4.497 3.506 ( 0.000 0.958 1.620) 1.882 3.620 ( 0.000 -4.102 10.214) 11.007 4.050 ( -0.000 -0.550 -2.256) 2.322 4.553 ( 0.000 -1.743 0.023) 1.743 4.722 ( -0.000 1.964 0.076) 1.965 4.841 ( 0.000 2.082 4.202) 4.690 4.952 ( -0.000 9.515 -8.625) 12.843 9.918 ( 0.000 0.297 0.773) 0.828 9.922 ( -0.000 0.305 -0.685) 0.750 10.831 ( 0.000 -4.935 0.093) 4.936 26.066 ( 0.000 -12.787 0.369) 12.792 ======================= Grid point 672 (145/146) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 0.000 -0.000 6.099) 6.099 0.785 ( 0.000 -0.000 6.099) 6.099 1.254 ( -0.000 0.000 -5.193) 5.193 1.254 ( -0.000 0.000 -5.193) 5.193 1.949 ( 0.000 -0.000 4.903) 4.903 2.374 ( 0.000 -0.000 0.023) 0.023 3.366 ( 0.000 -0.000 4.075) 4.075 3.366 ( 0.000 -0.000 4.075) 4.075 3.415 ( 0.000 -0.000 19.828) 19.828 3.461 ( -0.000 0.000 -3.409) 3.409 3.461 ( -0.000 0.000 -3.409) 3.409 3.619 ( -0.000 0.000 -2.317) 2.317 4.297 ( -0.000 0.000 -18.145) 18.145 4.606 ( -0.000 0.000 -0.079) 0.079 4.606 ( -0.000 0.000 -0.079) 0.079 4.658 ( 0.000 0.000 0.029) 0.029 4.658 ( -0.000 -0.000 0.029) 0.029 9.914 ( 0.000 -0.000 0.212) 0.212 9.914 ( 0.000 -0.000 0.212) 0.212 10.964 ( 0.000 -0.000 0.678) 0.678 26.380 ( -0.000 0.000 -0.008) 0.008 ======================= Grid point 673 (146/146) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 366 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 8.369 4.832 4.263) 10.563 1.006 ( 14.823 8.558 -1.280) 17.164 1.355 ( 9.685 5.592 -2.776) 11.522 1.511 ( 21.599 12.470 -0.099) 24.941 2.001 ( 4.345 2.509 1.596) 5.265 2.311 ( -5.194 -2.999 -0.148) 5.999 3.232 ( -10.085 -5.822 2.313) 11.872 3.366 ( -1.553 -0.897 2.922) 3.428 3.368 ( -1.018 -0.588 -0.903) 1.482 3.400 ( -4.378 -2.528 1.127) 5.180 3.529 ( -3.336 -1.926 9.163) 9.940 3.654 ( 4.645 2.682 -9.716) 11.099 4.141 ( -7.074 -4.084 -4.205) 9.188 4.586 ( -1.427 -0.824 -0.247) 1.666 4.683 ( 1.768 1.021 0.102) 2.044 4.697 ( 7.375 4.258 7.449) 11.314 4.784 ( 8.036 4.639 -7.609) 12.000 9.916 ( 0.106 0.061 0.467) 0.482 9.916 ( 0.131 0.076 -0.379) 0.409 10.922 ( -3.598 -2.077 0.252) 4.163 26.285 ( -8.048 -4.647 0.262) 9.297 =================== 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 3/27951 10.0 215.679 215.679 360.005 -0.000 -0.000 -0.000 3/27951 20.0 46.798 46.798 66.717 -0.000 -0.000 -0.000 3/27951 30.0 20.052 20.052 25.632 -0.000 -0.000 -0.000 3/27951 40.0 11.867 11.867 14.140 -0.000 -0.000 -0.000 3/27951 50.0 8.331 8.331 9.495 -0.000 -0.000 -0.000 3/27951 60.0 7.134 7.134 7.532 -0.000 -0.000 -0.000 3/27951 70.0 15.382 15.382 11.469 -0.000 -0.000 -0.000 3/27951 80.0 75.409 75.409 44.876 -0.000 -0.000 -0.000 3/27951 90.0 317.326 317.326 180.687 -0.000 -0.000 -0.000 3/27951 100.0 1009.634 1009.634 569.099 -0.000 -0.000 -0.000 3/27951 110.0 2568.967 2568.967 1442.538 -0.000 -0.000 -0.000 3/27951 120.0 5516.942 5516.942 3091.177 -0.000 -0.000 -0.000 3/27951 130.0 10403.412 10403.412 5820.010 -0.000 -0.000 -0.000 3/27951 140.0 17726.182 17726.182 9904.243 -0.000 -0.000 -0.000 3/27951 150.0 27869.659 27869.659 15555.433 -0.000 -0.000 -0.000 3/27951 160.0 41071.577 41071.577 22903.326 -0.000 -0.000 -0.000 3/27951 170.0 57416.333 57416.333 31992.484 -0.000 -0.000 -0.000 3/27951 180.0 76848.055 76848.055 42789.792 -0.000 -0.000 -0.000 3/27951 190.0 99195.309 99195.309 55198.353 -0.000 -0.000 -0.000 3/27951 200.0 124200.493 124200.493 69073.892 -0.000 -0.000 -0.000 3/27951 210.0 151548.970 151548.970 84240.940 -0.000 -0.000 -0.000 3/27951 220.0 180894.949 180894.949 100507.179 -0.000 -0.000 -0.000 3/27951 230.0 211882.729 211882.729 117675.172 -0.000 -0.000 -0.000 3/27951 240.0 244162.967 244162.967 135551.315 -0.000 -0.000 -0.000 3/27951 250.0 277404.288 277404.288 153952.218 -0.000 -0.000 -0.000 3/27951 260.0 311300.915 311300.915 172708.862 -0.000 -0.000 -0.000 3/27951 270.0 345577.056 345577.056 191668.976 -0.000 -0.000 -0.000 3/27951 280.0 379988.814 379988.814 210698.051 -0.000 -0.000 -0.000 3/27951 290.0 414324.295 414324.295 229679.353 -0.000 -0.000 -0.000 3/27951 300.0 448402.450 448402.450 248513.254 -0.000 -0.000 -0.000 3/27951 310.0 482071.113 482071.113 267116.121 -0.000 -0.000 -0.000 3/27951 320.0 515204.566 515204.566 285418.952 -0.000 -0.000 -0.000 3/27951 330.0 547700.881 547700.881 303365.884 -0.000 -0.000 -0.000 3/27951 340.0 579479.214 579479.214 320912.695 -0.000 -0.000 -0.000 3/27951 350.0 610477.176 610477.176 338025.339 -0.000 -0.000 -0.000 3/27951 360.0 640648.353 640648.353 354678.570 -0.000 -0.000 -0.000 3/27951 370.0 669960.017 669960.017 370854.675 -0.000 -0.000 -0.000 3/27951 380.0 698391.058 698391.058 386542.332 -0.000 -0.000 -0.000 3/27951 390.0 725930.136 725930.136 401735.584 -0.000 -0.000 -0.000 3/27951 400.0 752574.049 752574.049 416432.942 -0.000 -0.000 -0.000 3/27951 410.0 778326.303 778326.303 430636.593 -0.000 -0.000 -0.000 3/27951 420.0 803195.879 803195.879 444351.725 -0.000 -0.000 -0.000 3/27951 430.0 827196.164 827196.164 457585.931 -0.000 -0.000 -0.000 3/27951 440.0 850344.040 850344.040 470348.715 -0.000 -0.000 -0.000 3/27951 450.0 872659.110 872659.110 482651.061 -0.000 -0.000 -0.000 3/27951 460.0 894163.044 894163.044 494505.077 -0.000 -0.000 -0.000 3/27951 470.0 914879.025 914879.025 505923.688 -0.000 -0.000 -0.000 3/27951 480.0 934831.291 934831.291 516920.386 -0.000 -0.000 -0.000 3/27951 490.0 954044.751 954044.751 527509.021 -0.000 -0.000 -0.000 3/27951 500.0 972544.673 972544.673 537703.628 -0.000 -0.000 -0.000 3/27951 510.0 990356.422 990356.422 547518.284 -0.000 -0.000 -0.000 3/27951 520.0 1007505.253 1007505.253 556966.995 -0.000 -0.000 -0.000 3/27951 530.0 1024016.140 1024016.140 566063.605 -0.000 -0.000 -0.000 3/27951 540.0 1039913.642 1039913.642 574821.719 -0.000 -0.000 -0.000 3/27951 550.0 1055221.803 1055221.803 583254.649 -0.000 -0.000 -0.000 3/27951 560.0 1069964.064 1069964.064 591375.373 -0.000 -0.000 -0.000 3/27951 570.0 1084163.207 1084163.207 599196.495 -0.000 -0.000 -0.000 3/27951 580.0 1097841.312 1097841.312 606730.230 -0.000 -0.000 -0.000 3/27951 590.0 1111019.729 1111019.729 613988.382 -0.000 -0.000 -0.000 3/27951 600.0 1123719.056 1123719.056 620982.340 -0.000 -0.000 -0.000 3/27951 610.0 1135959.135 1135959.135 627723.069 -0.000 -0.000 -0.000 3/27951 620.0 1147759.048 1147759.048 634221.115 -0.000 -0.000 -0.000 3/27951 630.0 1159137.127 1159137.127 640486.604 -0.000 -0.000 -0.000 3/27951 640.0 1170110.959 1170110.959 646529.252 -0.000 -0.000 -0.000 3/27951 650.0 1180697.405 1180697.405 652358.369 -0.000 -0.000 -0.000 3/27951 660.0 1190912.616 1190912.616 657982.873 -0.000 -0.000 -0.000 3/27951 670.0 1200772.048 1200772.048 663411.299 -0.000 -0.000 -0.000 3/27951 680.0 1210290.493 1210290.493 668651.809 -0.000 -0.000 -0.000 3/27951 690.0 1219482.090 1219482.090 673712.209 -0.000 -0.000 -0.000 3/27951 700.0 1228360.356 1228360.356 678599.957 -0.000 -0.000 -0.000 3/27951 710.0 1236938.207 1236938.207 683322.181 -0.000 -0.000 -0.000 3/27951 720.0 1245227.982 1245227.982 687885.686 -0.000 -0.000 -0.000 3/27951 730.0 1253241.462 1253241.462 692296.975 -0.000 -0.000 -0.000 3/27951 740.0 1260989.903 1260989.903 696562.254 -0.000 -0.000 -0.000 3/27951 750.0 1268484.049 1268484.049 700687.449 -0.000 -0.000 -0.000 3/27951 760.0 1275734.159 1275734.159 704678.219 -0.000 -0.000 -0.000 3/27951 770.0 1282750.028 1282750.028 708539.965 -0.000 -0.000 -0.000 3/27951 780.0 1289541.008 1289541.008 712277.844 -0.000 -0.000 -0.000 3/27951 790.0 1296116.029 1296116.029 715896.778 -0.000 -0.000 -0.000 3/27951 800.0 1302483.617 1302483.617 719401.469 -0.000 -0.000 -0.000 3/27951 810.0 1308651.914 1308651.914 722796.406 -0.000 -0.000 -0.000 3/27951 820.0 1314628.696 1314628.696 726085.873 -0.000 -0.000 -0.000 3/27951 830.0 1320421.390 1320421.390 729273.967 -0.000 -0.000 -0.000 3/27951 840.0 1326037.090 1326037.090 732364.595 -0.000 -0.000 -0.000 3/27951 850.0 1331482.575 1331482.575 735361.496 -0.000 -0.000 -0.000 3/27951 860.0 1336764.323 1336764.323 738268.238 -0.000 -0.000 -0.000 3/27951 870.0 1341888.525 1341888.525 741088.232 -0.000 -0.000 -0.000 3/27951 880.0 1346861.098 1346861.098 743824.741 -0.000 -0.000 -0.000 3/27951 890.0 1351687.699 1351687.699 746480.880 -0.000 -0.000 -0.000 3/27951 900.0 1356373.741 1356373.741 749059.633 -0.000 -0.000 -0.000 3/27951 910.0 1360924.399 1360924.399 751563.850 -0.000 -0.000 -0.000 3/27951 920.0 1365344.623 1365344.623 753996.258 -0.000 -0.000 -0.000 3/27951 930.0 1369639.152 1369639.152 756359.469 -0.000 -0.000 -0.000 3/27951 940.0 1373812.521 1373812.521 758655.980 -0.000 -0.000 -0.000 3/27951 950.0 1377869.070 1377869.070 760888.183 -0.000 -0.000 -0.000 3/27951 960.0 1381812.959 1381812.959 763058.368 -0.000 -0.000 -0.000 3/27951 970.0 1385648.168 1385648.168 765168.728 -0.000 -0.000 -0.000 3/27951 980.0 1389378.512 1389378.512 767221.365 -0.000 -0.000 -0.000 3/27951 990.0 1393007.647 1393007.647 769218.292 -0.000 -0.000 -0.000 3/27951 1000.0 1396539.076 1396539.076 771161.438 -0.000 -0.000 -0.000 3/27951 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:37:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|