----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -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 2.482182488627823 1.433088727987045 8.459686546666658 b -2.482182488627817 1.433088727987045 8.459686546666658 c 0.000000000000003 -2.866177455974095 8.459686546666658 Atomic positions (fractional): *1 Na 0.20719103226477 0.20719103226477 0.20719103226477 22.990 *2 Na 0.40216628320180 0.40216628320181 0.40216628320180 22.990 3 Na 0.79280896773524 0.79280896773524 0.79280896773524 22.990 4 Na 0.59783371679820 0.59783371679820 0.59783371679820 22.990 *5 P 0.90610958897782 0.90610958897781 0.90610958897782 30.974 6 P 0.09389041102218 0.09389041102219 0.09389041102218 30.974 *7 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.964364977255640 0.000000000000000 0.000000000000000 b -2.482182488627820 4.299266183961141 0.000000000000000 c 0.000000000000000 0.000000000000000 25.379059640000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.20719103226477 22.990 > 1 *2 Na 0.33333333333333 0.66666666666667 0.06883294986847 22.990 > 2 3 Na 0.66666666666667 0.33333333333333 0.12614230106857 22.990 > 3 4 Na 0.33333333333333 0.66666666666667 0.26450038346486 22.990 > 4 5 Na 0.66666666666667 0.33333333333333 0.54052436559810 22.990 > 1 6 Na 0.00000000000000 0.00000000000000 0.40216628320180 22.990 > 2 7 Na 0.33333333333333 0.66666666666667 0.45947563440190 22.990 > 3 8 Na 0.00000000000000 0.00000000000000 0.59783371679820 22.990 > 4 9 Na 0.33333333333333 0.66666666666667 0.87385769893143 22.990 > 1 10 Na 0.66666666666667 0.33333333333333 0.73549961653514 22.990 > 2 11 Na 0.00000000000000 0.00000000000000 0.79280896773523 22.990 > 3 12 Na 0.66666666666667 0.33333333333333 0.93116705013153 22.990 > 4 *13 P 0.66666666666667 0.33333333333333 0.23944292231115 30.974 > 5 14 P 0.00000000000000 0.00000000000000 0.09389041102218 30.974 > 6 15 P 0.33333333333333 0.66666666666667 0.57277625564448 30.974 > 5 16 P 0.66666666666667 0.33333333333333 0.42722374435552 30.974 > 6 17 P 0.00000000000000 0.00000000000000 0.90610958897781 30.974 > 5 18 P 0.33333333333333 0.66666666666667 0.76055707768885 30.974 > 6 *19 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 7 20 Hg 0.66666666666667 0.33333333333333 0.33333333333333 200.590 > 7 21 Hg 0.33333333333333 0.66666666666667 0.66666666666667 200.590 > 7 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.928729954511279 0.000000000000000 0.000000000000000 b -4.964364977255640 8.598532367922282 0.000000000000000 c 0.000000000000000 0.000000000000000 25.379059640000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.20719103226477 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.20719103226477 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.20719103226477 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.20719103226477 22.990 > 1 *5 Na 0.16666666666667 0.33333333333333 0.06883294986847 22.990 > 2 6 Na 0.66666666666667 0.33333333333333 0.06883294986847 22.990 > 2 7 Na 0.16666666666667 0.83333333333333 0.06883294986847 22.990 > 2 8 Na 0.66666666666667 0.83333333333333 0.06883294986847 22.990 > 2 9 Na 0.33333333333333 0.16666666666667 0.12614230106857 22.990 > 3 10 Na 0.83333333333333 0.16666666666667 0.12614230106857 22.990 > 3 11 Na 0.33333333333333 0.66666666666667 0.12614230106857 22.990 > 3 12 Na 0.83333333333333 0.66666666666667 0.12614230106857 22.990 > 3 13 Na 0.16666666666667 0.33333333333333 0.26450038346486 22.990 > 4 14 Na 0.66666666666667 0.33333333333333 0.26450038346486 22.990 > 4 15 Na 0.16666666666667 0.83333333333333 0.26450038346486 22.990 > 4 16 Na 0.66666666666667 0.83333333333333 0.26450038346486 22.990 > 4 17 Na 0.33333333333333 0.16666666666667 0.54052436559810 22.990 > 1 18 Na 0.83333333333333 0.16666666666667 0.54052436559810 22.990 > 1 19 Na 0.33333333333333 0.66666666666667 0.54052436559810 22.990 > 1 20 Na 0.83333333333333 0.66666666666667 0.54052436559810 22.990 > 1 21 Na 0.00000000000000 0.00000000000000 0.40216628320180 22.990 > 2 22 Na 0.50000000000000 0.00000000000000 0.40216628320180 22.990 > 2 23 Na 0.00000000000000 0.50000000000000 0.40216628320180 22.990 > 2 24 Na 0.50000000000000 0.50000000000000 0.40216628320180 22.990 > 2 25 Na 0.16666666666667 0.33333333333333 0.45947563440190 22.990 > 3 26 Na 0.66666666666667 0.33333333333333 0.45947563440190 22.990 > 3 27 Na 0.16666666666667 0.83333333333333 0.45947563440190 22.990 > 3 28 Na 0.66666666666667 0.83333333333333 0.45947563440190 22.990 > 3 29 Na 0.00000000000000 0.00000000000000 0.59783371679820 22.990 > 4 30 Na 0.50000000000000 0.00000000000000 0.59783371679820 22.990 > 4 31 Na 0.00000000000000 0.50000000000000 0.59783371679820 22.990 > 4 32 Na 0.50000000000000 0.50000000000000 0.59783371679820 22.990 > 4 33 Na 0.16666666666667 0.33333333333333 0.87385769893143 22.990 > 1 34 Na 0.66666666666667 0.33333333333333 0.87385769893143 22.990 > 1 35 Na 0.16666666666667 0.83333333333333 0.87385769893143 22.990 > 1 36 Na 0.66666666666667 0.83333333333333 0.87385769893143 22.990 > 1 37 Na 0.33333333333333 0.16666666666667 0.73549961653514 22.990 > 2 38 Na 0.83333333333333 0.16666666666667 0.73549961653514 22.990 > 2 39 Na 0.33333333333333 0.66666666666667 0.73549961653514 22.990 > 2 40 Na 0.83333333333333 0.66666666666667 0.73549961653514 22.990 > 2 41 Na 0.00000000000000 0.00000000000000 0.79280896773523 22.990 > 3 42 Na 0.50000000000000 0.00000000000000 0.79280896773523 22.990 > 3 43 Na 0.00000000000000 0.50000000000000 0.79280896773523 22.990 > 3 44 Na 0.50000000000000 0.50000000000000 0.79280896773523 22.990 > 3 45 Na 0.33333333333333 0.16666666666667 0.93116705013153 22.990 > 4 46 Na 0.83333333333333 0.16666666666667 0.93116705013153 22.990 > 4 47 Na 0.33333333333333 0.66666666666667 0.93116705013153 22.990 > 4 48 Na 0.83333333333333 0.66666666666667 0.93116705013153 22.990 > 4 *49 P 0.33333333333333 0.16666666666667 0.23944292231115 30.974 > 5 50 P 0.83333333333333 0.16666666666667 0.23944292231115 30.974 > 5 51 P 0.33333333333333 0.66666666666667 0.23944292231115 30.974 > 5 52 P 0.83333333333333 0.66666666666667 0.23944292231115 30.974 > 5 53 P 0.00000000000000 0.00000000000000 0.09389041102218 30.974 > 6 54 P 0.50000000000000 0.00000000000000 0.09389041102218 30.974 > 6 55 P 0.00000000000000 0.50000000000000 0.09389041102218 30.974 > 6 56 P 0.50000000000000 0.50000000000000 0.09389041102218 30.974 > 6 57 P 0.16666666666667 0.33333333333333 0.57277625564448 30.974 > 5 58 P 0.66666666666667 0.33333333333333 0.57277625564448 30.974 > 5 59 P 0.16666666666667 0.83333333333333 0.57277625564448 30.974 > 5 60 P 0.66666666666667 0.83333333333333 0.57277625564448 30.974 > 5 61 P 0.33333333333333 0.16666666666667 0.42722374435552 30.974 > 6 62 P 0.83333333333333 0.16666666666667 0.42722374435552 30.974 > 6 63 P 0.33333333333333 0.66666666666667 0.42722374435552 30.974 > 6 64 P 0.83333333333333 0.66666666666667 0.42722374435552 30.974 > 6 65 P 0.00000000000000 0.00000000000000 0.90610958897781 30.974 > 5 66 P 0.50000000000000 0.00000000000000 0.90610958897781 30.974 > 5 67 P 0.00000000000000 0.50000000000000 0.90610958897781 30.974 > 5 68 P 0.50000000000000 0.50000000000000 0.90610958897781 30.974 > 5 69 P 0.16666666666667 0.33333333333333 0.76055707768885 30.974 > 6 70 P 0.66666666666667 0.33333333333333 0.76055707768885 30.974 > 6 71 P 0.16666666666667 0.83333333333333 0.76055707768885 30.974 > 6 72 P 0.66666666666667 0.83333333333333 0.76055707768885 30.974 > 6 *73 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 7 74 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 7 75 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 7 76 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 7 77 Hg 0.33333333333333 0.16666666666667 0.33333333333333 200.590 > 7 78 Hg 0.83333333333333 0.16666666666667 0.33333333333333 200.590 > 7 79 Hg 0.33333333333333 0.66666666666667 0.33333333333333 200.590 > 7 80 Hg 0.83333333333333 0.66666666666667 0.33333333333333 200.590 > 7 81 Hg 0.16666666666667 0.33333333333333 0.66666666666667 200.590 > 7 82 Hg 0.66666666666667 0.33333333333333 0.66666666666667 200.590 > 7 83 Hg 0.16666666666667 0.83333333333333 0.66666666666667 200.590 > 7 84 Hg 0.66666666666667 0.83333333333333 0.66666666666667 200.590 > 7 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2087127 -0.0000000 0.0000000 0.0000000 5.2087127 0.0000000 0.0000000 0.0000000 8.3395148 -------------------------- Born effective charges -------------------------- 1 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 2 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 3 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 4 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 5 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 6 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 7 Hg -0.6593482 0.0000000 0.0000000 -0.0000000 -0.6593482 0.0000000 0.0000000 0.0000000 2.5028858 ---------------------------------------------------------------------------- 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: 324 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): 0.005 Solver_block: 80 / 80 - Time: 0.180 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.186 --------------------------------- 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: 324 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 2026-01-08 07:24:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:24:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -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 2.482182488627823 1.433088727987045 8.459686546666658 b -2.482182488627817 1.433088727987045 8.459686546666658 c 0.000000000000003 -2.866177455974095 8.459686546666658 Atomic positions (fractional): 1 Na 0.20719103226477 0.20719103226477 0.20719103226477 22.990 2 Na 0.40216628320180 0.40216628320181 0.40216628320180 22.990 3 Na 0.79280896773524 0.79280896773524 0.79280896773524 22.990 4 Na 0.59783371679820 0.59783371679820 0.59783371679820 22.990 5 P 0.90610958897782 0.90610958897781 0.90610958897782 30.974 6 P 0.09389041102218 0.09389041102219 0.09389041102218 30.974 7 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928729954511279 0.000000000000000 0.000000000000000 b -4.964364977255640 8.598532367922282 0.000000000000000 c 0.000000000000000 0.000000000000000 25.379059640000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.20719103226477 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.20719103226477 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.20719103226477 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.20719103226477 22.990 > 1 5 Na 0.16666666666667 0.33333333333333 0.06883294986847 22.990 > 5 6 Na 0.66666666666667 0.33333333333333 0.06883294986847 22.990 > 5 7 Na 0.16666666666667 0.83333333333333 0.06883294986847 22.990 > 5 8 Na 0.66666666666667 0.83333333333333 0.06883294986847 22.990 > 5 9 Na 0.33333333333333 0.16666666666667 0.12614230106857 22.990 > 9 10 Na 0.83333333333333 0.16666666666667 0.12614230106857 22.990 > 9 11 Na 0.33333333333333 0.66666666666667 0.12614230106857 22.990 > 9 12 Na 0.83333333333333 0.66666666666667 0.12614230106857 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.26450038346486 22.990 > 13 14 Na 0.66666666666667 0.33333333333333 0.26450038346486 22.990 > 13 15 Na 0.16666666666667 0.83333333333333 0.26450038346486 22.990 > 13 16 Na 0.66666666666667 0.83333333333333 0.26450038346486 22.990 > 13 17 Na 0.33333333333333 0.16666666666667 0.54052436559810 22.990 > 1 18 Na 0.83333333333333 0.16666666666667 0.54052436559810 22.990 > 1 19 Na 0.33333333333333 0.66666666666667 0.54052436559810 22.990 > 1 20 Na 0.83333333333333 0.66666666666667 0.54052436559810 22.990 > 1 21 Na 0.00000000000000 0.00000000000000 0.40216628320180 22.990 > 5 22 Na 0.50000000000000 0.00000000000000 0.40216628320180 22.990 > 5 23 Na 0.00000000000000 0.50000000000000 0.40216628320180 22.990 > 5 24 Na 0.50000000000000 0.50000000000000 0.40216628320180 22.990 > 5 25 Na 0.16666666666667 0.33333333333333 0.45947563440190 22.990 > 9 26 Na 0.66666666666667 0.33333333333333 0.45947563440190 22.990 > 9 27 Na 0.16666666666667 0.83333333333333 0.45947563440190 22.990 > 9 28 Na 0.66666666666667 0.83333333333333 0.45947563440190 22.990 > 9 29 Na 0.00000000000000 0.00000000000000 0.59783371679820 22.990 > 13 30 Na 0.50000000000000 0.00000000000000 0.59783371679820 22.990 > 13 31 Na 0.00000000000000 0.50000000000000 0.59783371679820 22.990 > 13 32 Na 0.50000000000000 0.50000000000000 0.59783371679820 22.990 > 13 33 Na 0.16666666666667 0.33333333333333 0.87385769893143 22.990 > 1 34 Na 0.66666666666667 0.33333333333333 0.87385769893143 22.990 > 1 35 Na 0.16666666666667 0.83333333333333 0.87385769893143 22.990 > 1 36 Na 0.66666666666667 0.83333333333333 0.87385769893143 22.990 > 1 37 Na 0.33333333333333 0.16666666666667 0.73549961653514 22.990 > 5 38 Na 0.83333333333333 0.16666666666667 0.73549961653514 22.990 > 5 39 Na 0.33333333333333 0.66666666666667 0.73549961653514 22.990 > 5 40 Na 0.83333333333333 0.66666666666667 0.73549961653514 22.990 > 5 41 Na 0.00000000000000 0.00000000000000 0.79280896773523 22.990 > 9 42 Na 0.50000000000000 0.00000000000000 0.79280896773523 22.990 > 9 43 Na 0.00000000000000 0.50000000000000 0.79280896773523 22.990 > 9 44 Na 0.50000000000000 0.50000000000000 0.79280896773523 22.990 > 9 45 Na 0.33333333333333 0.16666666666667 0.93116705013153 22.990 > 13 46 Na 0.83333333333333 0.16666666666667 0.93116705013153 22.990 > 13 47 Na 0.33333333333333 0.66666666666667 0.93116705013153 22.990 > 13 48 Na 0.83333333333333 0.66666666666667 0.93116705013153 22.990 > 13 49 P 0.33333333333333 0.16666666666667 0.23944292231115 30.974 > 49 50 P 0.83333333333333 0.16666666666667 0.23944292231115 30.974 > 49 51 P 0.33333333333333 0.66666666666667 0.23944292231115 30.974 > 49 52 P 0.83333333333333 0.66666666666667 0.23944292231115 30.974 > 49 53 P 0.00000000000000 0.00000000000000 0.09389041102218 30.974 > 53 54 P 0.50000000000000 0.00000000000000 0.09389041102218 30.974 > 53 55 P 0.00000000000000 0.50000000000000 0.09389041102218 30.974 > 53 56 P 0.50000000000000 0.50000000000000 0.09389041102218 30.974 > 53 57 P 0.16666666666667 0.33333333333333 0.57277625564448 30.974 > 49 58 P 0.66666666666667 0.33333333333333 0.57277625564448 30.974 > 49 59 P 0.16666666666667 0.83333333333333 0.57277625564448 30.974 > 49 60 P 0.66666666666667 0.83333333333333 0.57277625564448 30.974 > 49 61 P 0.33333333333333 0.16666666666667 0.42722374435552 30.974 > 53 62 P 0.83333333333333 0.16666666666667 0.42722374435552 30.974 > 53 63 P 0.33333333333333 0.66666666666667 0.42722374435552 30.974 > 53 64 P 0.83333333333333 0.66666666666667 0.42722374435552 30.974 > 53 65 P 0.00000000000000 0.00000000000000 0.90610958897781 30.974 > 49 66 P 0.50000000000000 0.00000000000000 0.90610958897781 30.974 > 49 67 P 0.00000000000000 0.50000000000000 0.90610958897781 30.974 > 49 68 P 0.50000000000000 0.50000000000000 0.90610958897781 30.974 > 49 69 P 0.16666666666667 0.33333333333333 0.76055707768885 30.974 > 53 70 P 0.66666666666667 0.33333333333333 0.76055707768885 30.974 > 53 71 P 0.16666666666667 0.83333333333333 0.76055707768885 30.974 > 53 72 P 0.66666666666667 0.83333333333333 0.76055707768885 30.974 > 53 73 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 73 74 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 73 75 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 73 76 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 73 77 Hg 0.33333333333333 0.16666666666667 0.33333333333333 200.590 > 73 78 Hg 0.83333333333333 0.16666666666667 0.33333333333333 200.590 > 73 79 Hg 0.33333333333333 0.66666666666667 0.33333333333333 200.590 > 73 80 Hg 0.83333333333333 0.66666666666667 0.33333333333333 200.590 > 73 81 Hg 0.16666666666667 0.33333333333333 0.66666666666667 200.590 > 73 82 Hg 0.66666666666667 0.33333333333333 0.66666666666667 200.590 > 73 83 Hg 0.16666666666667 0.83333333333333 0.66666666666667 200.590 > 73 84 Hg 0.66666666666667 0.83333333333333 0.66666666666667 200.590 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2087127 -0.0000000 0.0000000 0.0000000 5.2087127 0.0000000 0.0000000 0.0000000 8.3395148 -------------------------- Born effective charges -------------------------- 1 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 2 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 3 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 4 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 5 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 6 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 7 Hg -0.6593482 0.0000000 0.0000000 -0.0000000 -0.6593482 0.0000000 0.0000000 0.0000000 2.5028858 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 2026-01-08 07:24:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:24:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -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 2.482182488627823 1.433088727987045 8.459686546666658 b -2.482182488627817 1.433088727987045 8.459686546666658 c 0.000000000000003 -2.866177455974095 8.459686546666658 Atomic positions (fractional): 1 Na 0.20719103226477 0.20719103226477 0.20719103226477 22.990 2 Na 0.40216628320180 0.40216628320181 0.40216628320180 22.990 3 Na 0.79280896773524 0.79280896773524 0.79280896773524 22.990 4 Na 0.59783371679820 0.59783371679820 0.59783371679820 22.990 5 P 0.90610958897782 0.90610958897781 0.90610958897782 30.974 6 P 0.09389041102218 0.09389041102219 0.09389041102218 30.974 7 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.928729954511279 0.000000000000000 0.000000000000000 b -4.964364977255640 8.598532367922282 0.000000000000000 c 0.000000000000000 0.000000000000000 25.379059640000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.20719103226477 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.20719103226477 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.20719103226477 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.20719103226477 22.990 > 1 5 Na 0.16666666666667 0.33333333333333 0.06883294986847 22.990 > 5 6 Na 0.66666666666667 0.33333333333333 0.06883294986847 22.990 > 5 7 Na 0.16666666666667 0.83333333333333 0.06883294986847 22.990 > 5 8 Na 0.66666666666667 0.83333333333333 0.06883294986847 22.990 > 5 9 Na 0.33333333333333 0.16666666666667 0.12614230106857 22.990 > 9 10 Na 0.83333333333333 0.16666666666667 0.12614230106857 22.990 > 9 11 Na 0.33333333333333 0.66666666666667 0.12614230106857 22.990 > 9 12 Na 0.83333333333333 0.66666666666667 0.12614230106857 22.990 > 9 13 Na 0.16666666666667 0.33333333333333 0.26450038346486 22.990 > 13 14 Na 0.66666666666667 0.33333333333333 0.26450038346486 22.990 > 13 15 Na 0.16666666666667 0.83333333333333 0.26450038346486 22.990 > 13 16 Na 0.66666666666667 0.83333333333333 0.26450038346486 22.990 > 13 17 Na 0.33333333333333 0.16666666666667 0.54052436559810 22.990 > 1 18 Na 0.83333333333333 0.16666666666667 0.54052436559810 22.990 > 1 19 Na 0.33333333333333 0.66666666666667 0.54052436559810 22.990 > 1 20 Na 0.83333333333333 0.66666666666667 0.54052436559810 22.990 > 1 21 Na 0.00000000000000 0.00000000000000 0.40216628320180 22.990 > 5 22 Na 0.50000000000000 0.00000000000000 0.40216628320180 22.990 > 5 23 Na 0.00000000000000 0.50000000000000 0.40216628320180 22.990 > 5 24 Na 0.50000000000000 0.50000000000000 0.40216628320180 22.990 > 5 25 Na 0.16666666666667 0.33333333333333 0.45947563440190 22.990 > 9 26 Na 0.66666666666667 0.33333333333333 0.45947563440190 22.990 > 9 27 Na 0.16666666666667 0.83333333333333 0.45947563440190 22.990 > 9 28 Na 0.66666666666667 0.83333333333333 0.45947563440190 22.990 > 9 29 Na 0.00000000000000 0.00000000000000 0.59783371679820 22.990 > 13 30 Na 0.50000000000000 0.00000000000000 0.59783371679820 22.990 > 13 31 Na 0.00000000000000 0.50000000000000 0.59783371679820 22.990 > 13 32 Na 0.50000000000000 0.50000000000000 0.59783371679820 22.990 > 13 33 Na 0.16666666666667 0.33333333333333 0.87385769893143 22.990 > 1 34 Na 0.66666666666667 0.33333333333333 0.87385769893143 22.990 > 1 35 Na 0.16666666666667 0.83333333333333 0.87385769893143 22.990 > 1 36 Na 0.66666666666667 0.83333333333333 0.87385769893143 22.990 > 1 37 Na 0.33333333333333 0.16666666666667 0.73549961653514 22.990 > 5 38 Na 0.83333333333333 0.16666666666667 0.73549961653514 22.990 > 5 39 Na 0.33333333333333 0.66666666666667 0.73549961653514 22.990 > 5 40 Na 0.83333333333333 0.66666666666667 0.73549961653514 22.990 > 5 41 Na 0.00000000000000 0.00000000000000 0.79280896773523 22.990 > 9 42 Na 0.50000000000000 0.00000000000000 0.79280896773523 22.990 > 9 43 Na 0.00000000000000 0.50000000000000 0.79280896773523 22.990 > 9 44 Na 0.50000000000000 0.50000000000000 0.79280896773523 22.990 > 9 45 Na 0.33333333333333 0.16666666666667 0.93116705013153 22.990 > 13 46 Na 0.83333333333333 0.16666666666667 0.93116705013153 22.990 > 13 47 Na 0.33333333333333 0.66666666666667 0.93116705013153 22.990 > 13 48 Na 0.83333333333333 0.66666666666667 0.93116705013153 22.990 > 13 49 P 0.33333333333333 0.16666666666667 0.23944292231115 30.974 > 49 50 P 0.83333333333333 0.16666666666667 0.23944292231115 30.974 > 49 51 P 0.33333333333333 0.66666666666667 0.23944292231115 30.974 > 49 52 P 0.83333333333333 0.66666666666667 0.23944292231115 30.974 > 49 53 P 0.00000000000000 0.00000000000000 0.09389041102218 30.974 > 53 54 P 0.50000000000000 0.00000000000000 0.09389041102218 30.974 > 53 55 P 0.00000000000000 0.50000000000000 0.09389041102218 30.974 > 53 56 P 0.50000000000000 0.50000000000000 0.09389041102218 30.974 > 53 57 P 0.16666666666667 0.33333333333333 0.57277625564448 30.974 > 49 58 P 0.66666666666667 0.33333333333333 0.57277625564448 30.974 > 49 59 P 0.16666666666667 0.83333333333333 0.57277625564448 30.974 > 49 60 P 0.66666666666667 0.83333333333333 0.57277625564448 30.974 > 49 61 P 0.33333333333333 0.16666666666667 0.42722374435552 30.974 > 53 62 P 0.83333333333333 0.16666666666667 0.42722374435552 30.974 > 53 63 P 0.33333333333333 0.66666666666667 0.42722374435552 30.974 > 53 64 P 0.83333333333333 0.66666666666667 0.42722374435552 30.974 > 53 65 P 0.00000000000000 0.00000000000000 0.90610958897781 30.974 > 49 66 P 0.50000000000000 0.00000000000000 0.90610958897781 30.974 > 49 67 P 0.00000000000000 0.50000000000000 0.90610958897781 30.974 > 49 68 P 0.50000000000000 0.50000000000000 0.90610958897781 30.974 > 49 69 P 0.16666666666667 0.33333333333333 0.76055707768885 30.974 > 53 70 P 0.66666666666667 0.33333333333333 0.76055707768885 30.974 > 53 71 P 0.16666666666667 0.83333333333333 0.76055707768885 30.974 > 53 72 P 0.66666666666667 0.83333333333333 0.76055707768885 30.974 > 53 73 Hg 0.00000000000000 0.00000000000000 0.00000000000000 200.590 > 73 74 Hg 0.50000000000000 0.00000000000000 0.00000000000000 200.590 > 73 75 Hg 0.00000000000000 0.50000000000000 0.00000000000000 200.590 > 73 76 Hg 0.50000000000000 0.50000000000000 0.00000000000000 200.590 > 73 77 Hg 0.33333333333333 0.16666666666667 0.33333333333333 200.590 > 73 78 Hg 0.83333333333333 0.16666666666667 0.33333333333333 200.590 > 73 79 Hg 0.33333333333333 0.66666666666667 0.33333333333333 200.590 > 73 80 Hg 0.83333333333333 0.66666666666667 0.33333333333333 200.590 > 73 81 Hg 0.16666666666667 0.33333333333333 0.66666666666667 200.590 > 73 82 Hg 0.66666666666667 0.33333333333333 0.66666666666667 200.590 > 73 83 Hg 0.16666666666667 0.83333333333333 0.66666666666667 200.590 > 73 84 Hg 0.66666666666667 0.83333333333333 0.66666666666667 200.590 > 73 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2087127 -0.0000000 0.0000000 0.0000000 5.2087127 0.0000000 0.0000000 0.0000000 8.3395148 -------------------------- Born effective charges -------------------------- 1 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 2 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 3 Na 0.9422685 0.0000000 0.0000000 0.0000000 0.9422685 0.0000000 0.0000000 0.0000000 1.4890580 4 Na 1.1154598 0.0000000 0.0000000 0.0000000 1.1154598 0.0000000 0.0000000 0.0000000 0.5410682 5 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 6 P -1.7280542 -0.0000000 0.0000000 -0.0000000 -1.7280542 0.0000000 0.0000000 0.0000000 -3.2815692 7 Hg -0.6593482 0.0000000 0.0000000 -0.0000000 -0.6593482 0.0000000 0.0000000 0.0000000 2.5028858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) 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 ... [ 12 12 12 ] 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: 0.73, Number of G-points: 313, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 189 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 1.394 ( 0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.671 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.832 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 5.991 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 12.877 7.435 16.550) 22.248 0.465 ( 18.709 10.802 4.410) 22.049 0.723 ( 27.602 15.936 0.893) 31.885 1.509 ( 10.568 6.101 -5.690) 13.464 1.668 ( 21.011 12.131 3.420) 24.502 2.282 ( 6.554 3.784 2.743) 8.050 2.322 ( 5.488 3.169 -4.149) 7.575 3.028 ( 0.754 0.436 3.183) 3.300 3.193 ( 8.414 4.858 -0.151) 9.717 4.517 ( -6.076 -3.508 -2.765) 7.541 4.656 ( -2.933 -1.693 7.140) 7.902 4.986 ( -7.774 -4.488 -1.785) 9.152 5.097 ( -3.774 -2.179 1.965) 4.780 5.288 ( -7.701 -4.446 2.648) 9.279 5.361 ( -2.270 -1.310 -0.200) 2.628 5.877 ( 3.853 2.225 0.754) 4.513 5.897 ( 5.402 3.119 -0.463) 6.254 6.055 ( 4.849 2.799 -1.551) 5.810 7.173 ( 3.020 1.743 -37.798) 37.959 10.030 ( -5.431 -3.136 24.861) 25.639 10.182 ( -1.858 -1.073 11.506) 11.704 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 11.732 6.773 14.480) 19.829 0.836 ( 12.696 7.330 3.999) 15.196 1.172 ( 11.928 6.887 2.820) 14.059 1.801 ( 17.025 9.829 -8.542) 21.434 2.193 ( 21.107 12.186 3.557) 24.631 2.469 ( 7.709 4.451 -2.659) 9.290 2.513 ( 12.685 7.324 4.665) 15.372 3.097 ( 6.076 3.508 0.427) 7.029 3.514 ( 20.743 11.976 -1.557) 24.002 4.335 ( -8.683 -5.013 -1.165) 10.094 4.610 ( -2.175 -1.256 3.638) 4.421 4.760 ( -11.372 -6.566 -2.283) 13.329 5.022 ( -3.071 -1.773 -0.556) 3.590 5.077 ( -11.316 -6.533 2.889) 13.382 5.255 ( -7.020 -4.053 1.414) 8.229 5.988 ( 5.164 2.982 1.680) 6.195 6.035 ( 6.115 3.531 0.285) 7.067 6.160 ( 4.637 2.677 -2.240) 5.804 7.087 ( -2.580 -1.489 -18.313) 18.554 9.981 ( -2.778 -1.604 2.751) 4.225 10.171 ( -3.064 -1.769 14.673) 15.094 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 9.706 5.604 11.102) 15.775 1.058 ( 6.525 3.767 2.621) 7.978 1.327 ( 2.504 1.446 3.459) 4.508 2.194 ( 20.045 11.573 -7.908) 24.460 2.511 ( 6.572 3.794 2.194) 7.899 2.604 ( 3.998 2.308 0.112) 4.618 2.856 ( 15.915 9.189 5.149) 19.085 3.337 ( 13.805 7.970 -1.739) 16.035 4.034 ( 15.501 8.950 0.619) 17.910 4.193 ( 5.568 3.215 -1.878) 6.699 4.475 ( -13.154 -7.594 -2.424) 15.381 4.625 ( 3.978 2.297 1.524) 4.839 4.819 ( -12.298 -7.100 2.553) 14.428 4.949 ( -3.488 -2.014 -2.196) 4.587 5.082 ( -7.889 -4.555 1.640) 9.256 6.103 ( 4.362 2.519 2.284) 5.531 6.142 ( 2.727 1.575 1.468) 3.475 6.239 ( 3.132 1.808 -2.538) 4.418 6.934 ( -6.838 -3.948 -11.076) 13.602 9.931 ( -1.445 -0.834 -3.133) 3.549 10.141 ( -3.715 -2.145 13.556) 14.219 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 2.970 1.715 1.395) 3.702 1.177 ( 6.943 4.009 6.621) 10.398 1.357 ( -0.101 -0.058 3.206) 3.208 2.556 ( -2.048 -1.182 3.135) 3.927 2.625 ( 20.124 11.619 -6.114) 24.028 2.676 ( 3.000 1.732 -0.122) 3.466 3.234 ( 15.860 9.157 4.997) 18.983 3.574 ( 7.198 4.156 -4.072) 9.256 3.981 ( -5.806 -3.352 2.679) 7.220 4.161 ( -14.137 -8.162 -2.468) 16.509 4.549 ( -12.438 -7.181 1.930) 14.492 4.714 ( 20.814 12.017 -3.726) 24.321 4.812 ( -0.972 -0.561 1.121) 1.587 4.825 ( 6.101 3.523 4.619) 8.424 5.026 ( 7.788 4.496 -4.279) 9.959 6.152 ( -2.494 -1.440 1.853) 3.424 6.194 ( 2.945 1.700 2.619) 4.292 6.284 ( 1.713 0.989 -2.667) 3.320 6.703 ( -11.317 -6.534 -6.527) 14.607 9.900 ( -0.168 -0.097 -4.514) 4.519 10.096 ( -3.739 -2.159 10.714) 11.551 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 1.155 0.667 0.600) 1.462 1.307 ( 3.164 1.827 1.182) 3.840 1.366 ( 0.256 0.148 3.515) 3.527 2.500 ( -2.846 -1.643 2.077) 3.887 2.730 ( 1.685 0.973 0.114) 1.949 3.044 ( 18.705 10.799 -4.459) 22.054 3.571 ( 10.499 6.062 6.814) 13.907 3.671 ( 3.912 2.258 -4.350) 6.271 3.842 ( -11.563 -6.676 -4.282) 14.022 3.863 ( -5.546 -3.202 3.121) 7.124 4.276 ( -12.309 -7.107 1.110) 14.257 4.663 ( -5.158 -2.978 0.585) 5.985 4.813 ( -0.334 -0.193 -2.448) 2.478 5.265 ( 17.487 10.096 6.826) 21.314 5.442 ( 24.676 14.247 -6.089) 29.137 6.042 ( -7.343 -4.240 0.192) 8.481 6.251 ( 1.455 0.840 2.433) 2.957 6.302 ( 0.698 0.403 -2.406) 2.538 6.381 ( -16.255 -9.385 -2.310) 18.911 9.893 ( 0.639 0.369 -3.650) 3.724 10.050 ( -2.736 -1.579 6.585) 7.304 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 0.000 0.000 0.000) 0.000 1.335 ( 0.000 0.000 0.000) 0.000 1.384 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 -0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 -0.000) 0.000 3.451 ( -0.000 -0.000 0.000) 0.000 3.737 ( 0.000 0.000 -0.000) 0.000 3.773 ( -0.000 -0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 4.065 ( -0.000 -0.000 0.000) 0.000 4.605 ( 0.000 0.000 -0.000) 0.000 4.801 ( 0.000 0.000 -0.000) 0.000 5.530 ( 0.000 0.000 0.000) 0.000 5.879 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 -0.000) 0.000 5.979 ( -0.000 -0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.304 ( 0.000 0.000 -0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -0.000 12.524 22.032) 25.343 0.444 ( -0.000 21.472 0.191) 21.473 0.764 ( -0.000 30.553 9.527) 32.004 1.554 ( -0.000 14.395 3.214) 14.749 1.622 ( -0.000 23.027 -5.704) 23.723 2.254 ( -0.000 6.062 -2.643) 6.613 2.337 ( -0.000 7.933 -0.483) 7.948 3.045 ( -0.000 -0.278 5.511) 5.518 3.189 ( -0.000 9.277 -0.966) 9.328 4.515 ( 0.000 -6.125 -2.330) 6.553 4.676 ( -0.000 -7.123 9.295) 11.710 5.004 ( 0.000 -8.349 1.753) 8.531 5.079 ( 0.000 -3.168 -1.611) 3.554 5.263 ( 0.000 -9.497 -2.264) 9.763 5.354 ( 0.000 -3.799 -1.206) 3.986 5.870 ( -0.000 3.924 -0.590) 3.968 5.902 ( -0.000 6.205 0.731) 6.248 6.073 ( -0.000 6.241 1.995) 6.552 7.027 ( 0.000 16.215 -52.953) 55.380 10.100 ( -0.000 -9.204 12.618) 15.618 10.267 ( -0.000 -10.553 40.065) 41.432 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 7.145 9.748 18.854) 22.395 0.764 ( 10.702 14.265 3.865) 18.248 1.109 ( 7.195 14.963 6.606) 17.869 1.766 ( 4.801 22.486 -4.841) 23.497 2.008 ( 16.727 19.154 2.112) 25.517 2.384 ( 7.103 8.134 -3.785) 11.443 2.462 ( 4.849 9.290 2.408) 10.752 3.083 ( 1.871 4.186 2.131) 5.056 3.385 ( 10.152 16.340 -3.022) 19.473 4.391 ( -5.448 -7.821 -1.199) 9.607 4.600 ( -2.308 -6.690 3.221) 7.776 4.904 ( -5.379 -4.041 0.495) 6.745 5.002 ( -2.310 -5.899 1.321) 6.472 5.103 ( -5.103 -12.810 0.174) 13.790 5.305 ( -1.138 -5.760 -2.208) 6.273 5.952 ( 4.133 4.455 -0.398) 6.090 5.993 ( 3.198 5.872 0.389) 6.698 6.145 ( 0.906 5.910 1.005) 6.063 7.022 ( 1.037 3.995 -27.886) 28.190 10.021 ( -3.185 -5.016 5.130) 7.850 10.260 ( -3.170 -4.946 24.157) 24.861 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 7.958 6.733 14.123) 17.554 1.036 ( 6.152 8.912 5.259) 12.039 1.303 ( 3.751 3.402 5.213) 7.268 2.086 ( 9.202 22.442 -7.581) 25.412 2.424 ( 11.376 9.140 2.246) 14.765 2.568 ( 5.825 6.464 0.286) 8.706 2.699 ( 12.869 8.208 3.408) 15.640 3.241 ( 8.175 11.132 -0.616) 13.825 3.826 ( 20.658 21.301 -6.019) 30.277 4.205 ( -5.885 -7.794 0.314) 9.772 4.508 ( -2.666 -5.875 1.663) 6.662 4.754 ( -10.185 3.345 0.199) 10.723 4.865 ( -7.157 -13.768 0.927) 15.544 4.938 ( 0.888 -6.569 0.417) 6.642 5.178 ( -6.450 -5.472 -0.958) 8.513 6.062 ( 4.326 3.103 -0.324) 5.333 6.103 ( 3.899 2.639 0.436) 4.729 6.216 ( 1.434 3.792 0.712) 4.117 6.942 ( -3.152 -1.823 -15.512) 15.934 9.946 ( -2.436 -2.345 0.053) 3.381 10.229 ( -3.774 -3.619 17.414) 18.182 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 5.654 3.668 6.498) 9.362 1.194 ( 2.584 6.331 6.478) 9.419 1.367 ( 0.583 0.470 5.108) 5.163 2.437 ( 11.966 14.000 -6.119) 19.407 2.577 ( 2.574 2.134 1.057) 3.507 2.684 ( 2.013 7.346 1.189) 7.709 3.068 ( 16.776 10.002 3.938) 19.924 3.493 ( 7.889 8.833 -3.345) 12.306 3.994 ( -4.302 -9.268 1.274) 10.297 4.348 ( -8.712 -1.650 -1.528) 8.998 4.458 ( 20.447 19.837 -6.553) 29.232 4.607 ( -7.274 -13.548 0.866) 15.401 4.749 ( 4.568 6.962 4.573) 9.500 4.913 ( 0.634 -0.546 -1.494) 1.712 5.002 ( -7.182 -3.871 -0.015) 8.159 6.148 ( 2.920 -0.236 -2.093) 3.600 6.155 ( 1.862 -0.330 1.381) 2.341 6.267 ( 0.843 1.823 1.575) 2.553 6.780 ( -7.487 -5.102 -8.503) 12.425 9.897 ( -1.171 -0.761 -1.978) 2.421 10.179 ( -4.228 -3.091 13.042) 14.054 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 1.751 1.898 1.516) 2.994 1.299 ( 1.749 3.120 3.964) 5.339 1.391 ( -0.533 1.821 5.658) 5.967 2.534 ( -1.860 -1.938 2.055) 3.382 2.673 ( 4.629 0.405 -1.354) 4.840 2.918 ( 11.029 17.596 -3.528) 21.064 3.444 ( 15.006 9.479 3.330) 18.059 3.631 ( 3.453 4.931 -4.499) 7.515 3.823 ( -4.882 -11.130 1.319) 12.225 4.114 ( -15.602 1.598 0.540) 15.693 4.341 ( -8.468 -12.828 0.937) 15.400 4.770 ( 3.926 -0.799 -3.478) 5.305 4.801 ( -8.765 0.951 -0.133) 8.817 5.114 ( 14.031 10.037 1.257) 17.297 5.152 ( 23.765 16.972 -1.762) 29.256 6.091 ( -4.095 -5.004 -1.721) 6.691 6.209 ( 3.405 -1.284 -1.359) 3.885 6.289 ( -0.030 -0.213 2.866) 2.874 6.537 ( -12.075 -7.039 -3.080) 14.312 9.879 ( 0.106 0.284 -2.284) 2.304 10.117 ( -4.136 -2.427 9.075) 10.264 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.126 1.291 0.684) 1.467 1.337 ( 0.296 0.541 1.015) 1.187 1.416 ( -1.677 2.515 3.342) 4.507 2.485 ( -2.038 -0.772 1.202) 2.489 2.718 ( 2.223 -1.377 -0.834) 2.745 3.267 ( 13.330 12.692 -3.770) 18.788 3.602 ( -10.870 -8.580 3.218) 14.217 3.721 ( 3.706 6.472 -3.402) 8.197 3.777 ( 13.022 7.245 0.497) 14.910 3.895 ( -11.819 1.408 1.137) 11.957 4.075 ( -8.971 -12.101 0.411) 15.069 4.694 ( -5.763 3.930 0.261) 6.980 4.784 ( 1.108 -1.393 -0.519) 1.854 5.452 ( 12.088 6.785 0.150) 13.862 5.698 ( 22.570 13.548 -3.895) 26.611 5.919 ( -6.956 -5.515 -4.248) 9.841 6.171 ( -12.728 -10.369 4.083) 16.917 6.244 ( 0.416 -2.707 -0.072) 2.739 6.323 ( -2.157 0.317 1.143) 2.461 9.888 ( 0.882 0.688 -1.266) 1.689 10.058 ( -3.099 -1.359 4.725) 5.812 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.415 0.739 0.387) 1.642 1.339 ( -0.799 -0.220 1.669) 1.864 1.389 ( -3.824 1.122 -2.073) 4.493 2.476 ( 0.741 1.066 -0.660) 1.457 2.720 ( 0.345 -2.282 -0.537) 2.370 3.305 ( -17.297 -5.204 3.802) 18.459 3.556 ( 9.780 5.707 -5.771) 12.709 3.739 ( -7.252 -3.405 -0.392) 8.021 3.782 ( -7.360 -3.565 1.578) 8.328 3.890 ( 3.474 9.442 0.443) 10.071 4.072 ( 14.344 2.274 -0.165) 14.524 4.693 ( -0.763 7.046 0.044) 7.087 4.794 ( 1.521 -1.446 1.444) 2.547 5.430 ( -13.600 -7.249 -4.265) 15.991 5.714 ( -19.152 -9.714 -0.033) 21.475 5.938 ( 6.786 1.113 -1.769) 7.101 6.163 ( 16.102 5.960 2.915) 17.415 6.237 ( 1.166 -2.013 -0.886) 2.490 6.333 ( 1.543 2.362 2.780) 3.961 9.907 ( 0.454 0.246 2.157) 2.218 10.025 ( -0.636 0.232 -1.544) 1.685 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -3.563 -0.728 0.159) 3.640 1.270 ( -7.008 -0.548 -1.746) 7.243 1.348 ( -0.257 0.103 -2.907) 2.920 2.515 ( 2.239 1.269 -1.886) 3.191 2.682 ( -1.858 -3.045 0.554) 3.610 2.958 ( -21.210 -1.434 4.593) 21.749 3.395 ( -15.132 -7.608 -6.551) 18.160 3.671 ( -5.688 -0.728 3.311) 6.622 3.813 ( 11.448 -1.797 -0.718) 11.610 4.113 ( 7.195 13.562 0.579) 15.364 4.330 ( 14.636 1.274 -1.257) 14.745 4.792 ( 3.490 3.545 0.338) 4.986 4.812 ( 1.250 1.193 2.667) 3.178 5.032 ( -21.176 -5.383 -10.251) 24.135 5.229 ( -22.988 -13.048 8.599) 27.796 6.083 ( 6.452 1.618 -3.088) 7.333 6.202 ( -0.912 -1.863 -2.864) 3.536 6.289 ( 0.772 -2.362 2.859) 3.788 6.576 ( 13.496 7.240 4.636) 16.001 9.920 ( -0.300 -0.199 6.023) 6.034 10.032 ( 2.088 1.400 -7.916) 8.306 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -10.068 -3.719 -3.944) 11.434 1.154 ( -6.598 0.597 -1.984) 6.916 1.332 ( -0.737 -0.899 -1.931) 2.254 2.492 ( -12.074 -2.582 4.455) 13.126 2.570 ( -7.418 -0.784 0.224) 7.463 2.678 ( -8.687 1.183 0.055) 8.767 3.019 ( -16.726 -9.229 -5.979) 20.017 3.522 ( -12.305 -3.087 2.246) 12.884 3.981 ( 10.042 -0.234 -1.262) 10.124 4.355 ( 7.433 7.414 -0.220) 10.501 4.489 ( -24.309 -6.585 -0.922) 25.202 4.603 ( 10.276 -0.964 -0.280) 10.325 4.726 ( -6.309 -1.094 0.990) 6.479 4.930 ( -0.197 -0.382 1.847) 1.896 4.998 ( 6.146 3.696 -0.614) 7.197 6.138 ( -0.558 -0.954 -2.035) 2.316 6.148 ( -1.674 -0.965 -2.054) 2.820 6.270 ( -1.365 -1.907 2.138) 3.174 6.853 ( 10.737 4.108 5.698) 12.830 9.938 ( 0.146 0.030 5.965) 5.967 10.061 ( 3.148 1.360 -9.946) 10.520 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -13.248 -3.485 -5.054) 14.601 1.002 ( -11.284 -0.734 -1.703) 11.436 1.271 ( -5.181 -1.845 -1.132) 5.615 2.159 ( -24.045 1.902 7.072) 25.135 2.393 ( -14.409 -6.278 -3.763) 16.162 2.573 ( -6.476 -1.095 0.852) 6.623 2.662 ( -13.541 -5.401 -3.809) 15.068 3.247 ( -14.588 -2.027 0.491) 14.736 3.857 ( -28.753 -5.349 -0.023) 29.246 4.206 ( 9.681 0.901 0.359) 9.729 4.498 ( 6.046 -1.941 0.099) 6.351 4.754 ( 2.772 10.404 0.258) 10.770 4.854 ( 15.459 0.322 -1.330) 15.520 4.940 ( 4.444 -5.257 0.925) 6.946 5.177 ( 7.921 4.583 -1.080) 9.215 6.058 ( -5.238 -0.625 -1.132) 5.395 6.097 ( -4.029 -1.620 -0.786) 4.413 6.220 ( -3.484 -1.265 1.419) 3.969 7.055 ( 7.711 1.860 5.879) 9.873 9.961 ( 0.686 0.191 2.085) 2.203 10.096 ( 3.155 0.768 -6.991) 7.709 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -15.256 -0.000 0.000) 15.256 0.746 ( -17.917 -0.000 0.000) 17.917 1.077 ( -17.629 -0.000 0.000) 17.629 1.793 ( -21.793 -0.000 0.000) 21.793 1.994 ( -24.228 -0.000 0.000) 24.228 2.413 ( -12.168 -0.000 0.000) 12.168 2.441 ( -8.404 -0.000 0.000) 8.404 3.071 ( -5.630 -0.000 0.000) 5.630 3.400 ( -20.011 -0.000 0.000) 20.011 4.399 ( 10.399 0.000 -0.000) 10.399 4.580 ( 5.142 0.000 -0.000) 5.142 4.902 ( 6.352 0.000 -0.000) 6.352 4.996 ( 6.086 0.000 -0.000) 6.086 5.102 ( 13.764 0.000 -0.000) 13.764 5.316 ( 5.573 0.000 -0.000) 5.573 5.954 ( -6.064 -0.000 0.000) 6.064 5.991 ( -6.776 -0.000 0.000) 6.776 6.140 ( -5.397 -0.000 0.000) 5.397 7.185 ( 5.115 0.000 -0.000) 5.115 9.974 ( 0.606 0.000 -0.000) 0.606 10.137 ( 2.547 0.000 -0.000) 2.547 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.000 11.358 18.543) 21.745 0.814 ( -0.000 15.674 1.606) 15.757 1.227 ( -0.000 11.594 8.381) 14.306 1.941 ( -0.000 21.651 4.300) 22.074 2.106 ( -0.000 26.490 -3.848) 26.768 2.404 ( -0.000 11.868 -5.031) 12.890 2.516 ( -0.000 8.371 1.863) 8.575 3.119 ( -0.000 6.538 2.100) 6.867 3.467 ( -0.000 20.861 -5.625) 21.606 4.349 ( 0.000 -9.613 -0.036) 9.613 4.592 ( -0.000 -2.594 1.727) 3.117 4.809 ( 0.000 -12.562 2.092) 12.735 5.023 ( 0.000 -13.057 -1.929) 13.199 5.047 ( -0.000 -0.909 1.550) 1.797 5.203 ( 0.000 -9.404 -3.147) 9.916 5.955 ( -0.000 4.934 -1.454) 5.143 6.030 ( -0.000 5.427 0.062) 5.427 6.215 ( -0.000 6.175 2.887) 6.817 6.973 ( 0.000 4.092 -23.648) 24.000 10.009 ( -0.000 -5.445 3.500) 6.473 10.311 ( -0.000 -6.531 23.598) 24.485 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 2.850 9.172 12.997) 16.161 1.031 ( 6.631 9.928 5.040) 12.959 1.338 ( 0.192 5.454 7.966) 9.656 2.214 ( 3.039 24.226 -3.486) 24.663 2.371 ( 7.399 14.098 2.731) 16.154 2.548 ( 4.307 9.971 -1.693) 10.993 2.642 ( 5.324 8.027 1.373) 9.730 3.255 ( 4.289 13.311 0.360) 13.990 3.745 ( 10.870 21.833 -9.858) 26.306 4.217 ( -4.610 -8.634 0.798) 9.820 4.541 ( -3.985 -0.039 3.036) 5.010 4.769 ( 5.845 -7.833 0.752) 9.803 4.834 ( -5.167 -13.732 -0.167) 14.673 4.970 ( -8.036 -0.541 1.467) 8.187 5.127 ( 1.879 -9.548 -3.532) 10.353 6.025 ( 3.044 3.595 -1.733) 5.019 6.083 ( 1.630 2.589 -0.269) 3.071 6.270 ( -1.007 5.131 2.945) 6.001 6.917 ( -1.466 -0.517 -15.684) 15.761 9.956 ( -1.618 -3.526 1.548) 4.177 10.300 ( -2.418 -5.239 18.640) 19.512 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 3.571 5.408 7.362) 9.808 1.215 ( 4.286 5.127 5.257) 8.502 1.405 ( -0.422 3.648 9.081) 9.795 2.443 ( 3.000 15.497 -6.200) 16.959 2.548 ( 3.273 3.188 0.130) 4.571 2.731 ( 4.256 10.777 1.636) 11.702 2.911 ( 14.712 11.755 3.659) 19.184 3.473 ( 5.323 11.998 -1.953) 13.270 3.972 ( -2.387 -7.458 -1.265) 7.933 4.227 ( 14.128 14.123 -9.420) 22.086 4.523 ( -1.411 2.788 2.164) 3.801 4.604 ( -6.467 -10.105 1.913) 12.149 4.802 ( -2.117 -6.459 1.403) 6.940 4.866 ( 0.081 8.862 0.673) 8.887 5.042 ( -1.284 -6.401 -2.559) 7.012 6.087 ( 2.600 0.745 -2.702) 3.823 6.123 ( 1.619 -1.197 0.044) 2.014 6.303 ( -1.045 3.100 3.533) 4.815 6.804 ( -4.411 -4.280 -9.252) 11.107 9.907 ( -1.487 -1.529 0.099) 2.135 10.257 ( -3.666 -4.123 14.153) 15.190 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 2.104 2.659 2.654) 4.306 1.310 ( 1.678 1.730 3.089) 3.918 1.463 ( -1.184 4.708 9.655) 10.807 2.538 ( 0.301 0.779 -0.079) 0.839 2.617 ( 2.860 2.049 -1.704) 3.910 2.947 ( 5.795 17.116 -2.746) 18.277 3.290 ( 14.922 9.748 3.000) 18.075 3.619 ( 2.941 6.393 -3.539) 7.877 3.810 ( -4.517 -8.951 1.572) 10.149 4.350 ( -6.620 -12.438 0.203) 14.091 4.366 ( -8.794 3.041 1.132) 9.374 4.667 ( 3.805 1.429 -3.355) 5.270 4.825 ( 10.542 1.992 -5.755) 12.175 4.967 ( 2.639 5.248 -2.603) 6.425 5.103 ( 8.649 16.957 4.246) 19.503 6.089 ( -2.051 -3.402 -2.079) 4.484 6.123 ( 3.316 -3.327 -1.360) 4.891 6.314 ( -1.300 0.404 4.212) 4.426 6.626 ( -7.890 -6.579 -4.284) 11.130 9.880 ( -0.612 -0.083 -0.535) 0.817 10.194 ( -4.271 -3.129 10.171) 11.466 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.716 1.480 0.748) 1.806 1.342 ( 0.320 0.631 1.425) 1.591 1.505 ( -2.732 4.240 6.643) 8.341 2.517 ( -1.933 -0.944 1.392) 2.562 2.666 ( 2.358 0.038 -1.405) 2.745 3.204 ( 7.737 12.996 -3.728) 15.577 3.557 ( 7.243 -3.786 -2.139) 8.448 3.700 ( 3.259 3.050 3.436) 5.633 3.727 ( 1.247 5.427 -0.514) 5.592 4.122 ( -8.454 -8.336 -1.741) 11.999 4.180 ( -15.465 4.251 2.464) 16.226 4.710 ( 4.354 -3.435 0.602) 5.578 4.813 ( -3.826 0.282 -1.619) 4.164 5.285 ( 16.362 11.007 -5.619) 20.505 5.495 ( 15.597 15.286 -0.505) 21.844 5.966 ( -5.860 -5.156 -1.644) 7.976 6.139 ( 3.308 -4.297 -1.698) 5.683 6.281 ( -4.260 -4.520 5.470) 8.276 6.400 ( -8.586 -5.223 -1.046) 10.104 9.880 ( 0.371 0.673 -0.554) 0.948 10.124 ( -4.177 -2.040 6.485) 7.979 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.499 1.025 0.300) 1.179 1.349 ( -0.289 0.264 0.756) 0.852 1.487 ( -5.142 2.486 2.333) 6.169 2.489 ( -1.076 0.479 0.814) 1.432 2.687 ( 1.071 -0.910 -0.992) 1.720 3.400 ( 4.542 2.009 -2.639) 5.624 3.493 ( -1.072 -2.744 0.425) 2.977 3.816 ( -2.236 -6.163 0.491) 6.574 3.842 ( 1.618 1.081 1.300) 2.340 3.925 ( -2.938 6.947 -5.995) 9.635 4.042 ( -5.961 10.917 4.674) 13.288 4.749 ( 0.708 -3.059 0.617) 3.199 4.765 ( -0.040 2.803 -0.171) 2.809 5.527 ( -1.786 0.222 0.109) 1.803 5.738 ( 6.896 2.458 -13.790) 15.613 5.960 ( -0.411 3.314 -0.820) 3.438 6.022 ( -3.292 -6.029 9.186) 11.471 6.174 ( 2.561 -4.066 1.361) 4.994 6.331 ( 0.568 -0.464 1.182) 1.391 9.899 ( 1.088 0.729 0.178) 1.322 10.061 ( -3.299 -0.862 2.734) 4.370 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -2.125 0.575 0.475) 2.253 1.343 ( -0.762 -0.451 1.301) 1.573 1.397 ( -7.464 1.063 -2.108) 7.828 2.500 ( 0.867 1.643 -0.264) 1.876 2.678 ( -0.425 -1.552 -0.161) 1.617 3.276 ( -13.281 -0.216 3.262) 13.678 3.547 ( -14.162 -6.886 -5.624) 16.721 3.613 ( 9.927 -0.150 -0.814) 9.962 3.776 ( -5.722 -0.604 2.306) 6.199 4.093 ( 9.565 6.820 -2.487) 12.008 4.199 ( 4.541 12.214 2.398) 13.250 4.712 ( 1.963 -7.344 0.648) 7.629 4.831 ( 2.085 4.660 0.317) 5.115 5.288 ( -16.454 -2.506 -4.802) 17.322 5.546 ( -23.603 -8.699 4.038) 25.477 5.950 ( 9.927 1.992 -3.746) 10.796 6.157 ( 3.278 -2.113 -2.862) 4.838 6.234 ( 4.190 -1.625 4.006) 6.021 6.440 ( 10.741 4.743 2.534) 12.012 9.929 ( 1.286 0.233 2.732) 3.029 10.017 ( -1.633 0.245 -2.122) 2.689 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -7.551 -0.773 0.266) 7.596 1.263 ( -6.840 0.521 -1.150) 6.956 1.331 ( -0.607 -0.254 -1.059) 1.247 2.531 ( 0.649 1.057 -0.501) 1.338 2.644 ( -2.014 -1.292 0.671) 2.485 3.021 ( -20.753 4.217 4.690) 21.690 3.197 ( -16.200 -7.704 -6.051) 18.931 3.678 ( -7.335 -0.209 1.286) 7.449 3.784 ( 11.231 -0.679 -0.403) 11.259 4.317 ( 10.535 4.332 -1.554) 11.496 4.379 ( 5.328 5.721 0.887) 7.868 4.694 ( 4.941 -6.483 0.750) 8.186 4.886 ( -8.277 1.676 -2.108) 8.704 5.003 ( -10.783 4.065 -4.407) 12.338 5.064 ( -20.383 -7.870 6.686) 22.850 6.083 ( 5.199 0.340 -1.686) 5.476 6.158 ( -0.136 -0.965 -1.045) 1.429 6.261 ( 0.963 -1.424 1.217) 2.107 6.698 ( 12.873 2.622 2.070) 13.299 9.960 ( 0.084 -0.425 7.615) 7.628 10.001 ( 1.377 0.925 -8.273) 8.438 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -12.363 -0.000 0.000) 12.363 1.155 ( -7.392 -0.000 0.000) 7.392 1.313 ( -1.456 -0.000 0.000) 1.456 2.512 ( -4.372 -0.000 0.000) 4.372 2.555 ( -12.602 -0.000 0.000) 12.602 2.709 ( -15.613 -0.000 0.000) 15.613 2.865 ( -15.843 -0.000 0.000) 15.843 3.497 ( -14.234 -0.000 0.000) 14.234 3.974 ( 11.199 0.000 -0.000) 11.199 4.413 ( -32.396 -0.000 0.000) 32.396 4.421 ( 2.590 0.000 -0.000) 2.590 4.588 ( 15.149 0.000 -0.000) 15.149 4.785 ( 6.838 0.000 -0.000) 6.838 4.855 ( -5.248 -0.000 0.000) 5.248 5.069 ( 6.921 0.000 -0.000) 6.921 6.123 ( 0.068 0.000 -0.000) 0.068 6.126 ( -3.054 -0.000 0.000) 3.054 6.255 ( -1.165 -0.000 0.000) 1.165 6.915 ( 10.884 0.000 -0.000) 10.884 9.965 ( -0.344 -0.000 0.000) 0.344 10.034 ( 3.191 0.000 -0.000) 3.191 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.000 7.699 11.358) 13.722 1.070 ( -0.000 9.348 3.009) 9.821 1.420 ( -0.000 4.767 9.993) 11.071 2.406 ( -0.000 23.242 1.814) 23.312 2.443 ( -0.000 8.172 0.057) 8.172 2.642 ( -0.000 15.738 -4.609) 16.399 2.649 ( -0.000 3.864 1.970) 4.337 3.368 ( -0.000 16.363 0.811) 16.383 3.810 ( 0.000 17.056 -12.224) 20.984 4.196 ( 0.000 -3.960 0.428) 3.983 4.558 ( 0.000 -14.226 1.329) 14.288 4.692 ( -0.000 12.563 3.045) 12.927 4.751 ( 0.000 -13.963 -0.484) 13.972 4.984 ( 0.000 -9.418 -2.061) 9.641 5.042 ( -0.000 -1.225 0.925) 1.535 6.030 ( -0.000 3.870 -1.807) 4.271 6.082 ( 0.000 -0.105 -1.222) 1.227 6.339 ( -0.000 4.503 2.968) 5.393 6.873 ( 0.000 -2.247 -12.334) 12.537 9.941 ( 0.000 -3.142 1.590) 3.522 10.326 ( -0.000 -5.453 16.697) 17.565 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.669 5.075 5.893) 7.806 1.204 ( 3.822 4.771 3.900) 7.251 1.497 ( -0.714 5.342 11.629) 12.818 2.502 ( 1.347 2.103 0.481) 2.543 2.594 ( -2.331 11.594 -4.259) 12.569 2.753 ( 6.781 13.065 1.192) 14.768 2.857 ( 7.653 14.619 1.420) 16.562 3.526 ( 1.807 10.814 -1.157) 11.025 3.920 ( 1.362 -1.042 -4.876) 5.169 4.198 ( 1.408 11.637 -5.168) 12.810 4.466 ( 3.454 -9.973 -0.237) 10.557 4.578 ( -2.717 -11.573 0.536) 11.899 4.845 ( 0.154 7.415 2.245) 7.749 4.933 ( 1.448 -5.170 -0.742) 5.420 5.006 ( -3.020 8.153 0.168) 8.696 6.056 ( 0.461 -1.501 -2.080) 2.607 6.082 ( 1.722 -0.039 -1.063) 2.024 6.372 ( -1.648 3.258 3.024) 4.741 6.786 ( -2.175 -5.117 -8.039) 9.774 9.913 ( -0.851 -1.771 1.084) 2.244 10.308 ( -2.048 -4.643 13.427) 14.354 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 1.303 2.224 2.792) 3.800 1.298 ( 2.444 1.670 2.644) 3.969 1.573 ( -1.394 5.721 11.024) 12.498 2.534 ( 1.343 -0.473 0.904) 1.687 2.618 ( -0.959 3.762 -2.442) 4.586 3.000 ( 5.859 15.784 -5.295) 17.649 3.183 ( 11.532 12.861 4.712) 17.905 3.624 ( 1.929 4.471 -2.891) 5.663 3.811 ( -4.143 -6.976 0.634) 8.138 4.297 ( -1.064 -9.824 0.066) 9.882 4.395 ( 4.092 -2.712 0.285) 4.917 4.651 ( 9.574 8.596 -6.947) 14.622 4.757 ( -9.018 1.192 -0.130) 9.098 4.933 ( 4.129 -2.060 -1.531) 4.862 5.199 ( 3.072 21.915 1.504) 22.180 6.024 ( 1.876 -7.168 -0.934) 7.468 6.091 ( -0.739 -0.110 -1.582) 1.750 6.368 ( -2.611 1.087 3.385) 4.411 6.648 ( -4.576 -7.305 -4.286) 9.626 9.891 ( -0.773 -0.407 0.589) 1.054 10.260 ( -3.410 -3.524 9.875) 11.026 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 1.146 0.854 0.794) 1.635 1.343 ( 0.951 0.656 1.626) 1.995 1.621 ( -2.847 4.544 7.857) 9.512 2.539 ( -0.812 -0.207 1.106) 1.388 2.636 ( 1.256 1.043 -1.484) 2.206 3.212 ( 5.097 11.313 -4.262) 13.119 3.430 ( 4.601 2.087 -0.326) 5.063 3.660 ( 3.938 0.110 1.466) 4.204 3.767 ( 0.280 4.399 0.126) 4.410 4.136 ( -3.680 -9.544 -0.632) 10.248 4.455 ( -3.923 3.885 1.336) 5.680 4.584 ( -0.447 -5.180 2.363) 5.711 4.818 ( 1.150 -0.145 -4.287) 4.441 5.127 ( 13.356 13.217 -6.006) 19.727 5.477 ( 5.956 17.849 -0.519) 18.824 5.969 ( 0.452 -9.348 1.497) 9.478 6.059 ( -0.708 -0.491 -2.005) 2.182 6.327 ( -3.397 -1.765 3.648) 5.288 6.465 ( -6.986 -7.956 -1.730) 10.728 9.884 ( -0.204 0.412 0.261) 0.528 10.195 ( -4.078 -2.307 6.455) 7.976 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.704 0.426 -0.005) 0.823 1.359 ( -0.021 0.428 0.770) 0.882 1.610 ( -4.960 2.631 3.890) 6.831 2.519 ( -1.603 0.170 1.185) 2.001 2.664 ( 1.264 0.676 -1.021) 1.760 3.355 ( 3.872 4.929 -2.137) 6.622 3.415 ( 1.435 -6.230 -1.832) 6.650 3.797 ( 4.846 2.233 2.800) 6.026 3.821 ( 0.355 2.904 0.711) 3.011 4.010 ( -3.308 -1.260 -3.509) 4.984 4.336 ( -12.522 9.844 2.420) 16.111 4.667 ( 7.719 -1.788 2.088) 8.193 4.766 ( -2.088 -4.164 -2.597) 5.333 5.460 ( 12.994 9.616 -3.492) 16.538 5.667 ( 0.466 4.773 -6.532) 8.103 5.914 ( 3.778 -2.707 2.839) 5.446 6.072 ( 1.899 0.875 0.366) 2.123 6.189 ( -11.052 -6.691 3.981) 13.520 6.314 ( -1.125 -4.173 -0.312) 4.333 9.892 ( 0.505 0.582 0.128) 0.781 10.125 ( -4.046 -1.149 3.393) 5.404 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -0.249 0.259 -0.029) 0.361 1.357 ( -0.761 0.110 0.283) 0.819 1.532 ( -7.193 0.932 0.804) 7.297 2.508 ( -0.294 0.673 0.534) 0.908 2.674 ( -0.227 -0.026 -0.401) 0.461 3.376 ( -0.779 -0.926 -1.317) 1.789 3.457 ( 6.080 -2.025 0.660) 6.442 3.732 ( -10.894 -0.921 -0.760) 10.959 3.835 ( -1.474 -1.300 0.790) 2.118 4.024 ( 3.402 3.657 -1.891) 5.341 4.339 ( -2.584 15.041 2.513) 15.467 4.622 ( -2.571 -10.367 -0.918) 10.721 4.805 ( 5.201 1.279 0.106) 5.357 5.501 ( -11.799 -0.733 -0.928) 11.858 5.761 ( 10.550 4.402 -5.222) 12.568 5.867 ( -17.302 -5.493 2.971) 18.395 6.034 ( 7.651 -1.247 -1.725) 7.942 6.170 ( 3.945 0.904 3.811) 5.559 6.325 ( 6.119 -0.347 0.138) 6.131 9.912 ( 1.254 0.315 0.279) 1.323 10.062 ( -3.435 -0.287 0.872) 3.556 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( -2.241 -0.000 0.000) 2.241 1.342 ( -0.956 -0.000 0.000) 0.956 1.401 ( -8.716 -0.000 0.000) 8.716 2.521 ( 0.944 0.000 -0.000) 0.944 2.661 ( -0.954 -0.000 0.000) 0.954 3.315 ( -7.162 -0.000 0.000) 7.162 3.415 ( -16.350 -0.000 0.000) 16.350 3.619 ( 6.292 0.000 -0.000) 6.292 3.777 ( -4.584 -0.000 0.000) 4.584 4.144 ( 9.091 0.000 -0.000) 9.091 4.443 ( -3.228 -0.000 0.000) 3.228 4.533 ( 6.602 0.000 -0.000) 6.602 4.881 ( 3.085 0.000 -0.000) 3.085 5.260 ( -15.202 -0.000 0.000) 15.202 5.465 ( -25.490 -0.000 0.000) 25.490 5.960 ( 9.382 0.000 -0.000) 9.382 6.121 ( 3.771 0.000 -0.000) 3.771 6.227 ( 2.404 0.000 -0.000) 2.404 6.498 ( 12.344 0.000 -0.000) 12.344 9.943 ( 2.086 0.000 -0.000) 2.086 10.011 ( -2.506 -0.000 0.000) 2.506 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -0.000 2.082 3.683) 4.231 1.225 ( -0.000 4.818 3.186) 5.776 1.598 ( -0.000 5.899 11.905) 13.286 2.495 ( -0.000 -0.810 1.576) 1.772 2.699 ( -0.000 0.556 0.854) 1.019 2.821 ( -0.000 20.471 -7.780) 21.900 2.958 ( -0.000 17.309 4.096) 17.787 3.582 ( 0.000 4.914 -3.045) 5.781 3.887 ( 0.000 -3.149 -2.361) 3.935 4.286 ( 0.000 -14.270 0.494) 14.279 4.361 ( -0.000 22.898 -6.050) 23.683 4.481 ( 0.000 -13.870 0.664) 13.885 4.777 ( 0.000 -6.116 -1.149) 6.223 4.981 ( -0.000 -0.147 2.690) 2.694 5.171 ( -0.000 22.553 0.256) 22.555 6.000 ( 0.000 -7.386 -1.864) 7.617 6.081 ( -0.000 2.480 -1.489) 2.893 6.426 ( -0.000 2.667 2.325) 3.538 6.722 ( 0.000 -7.267 -5.569) 9.156 9.909 ( -0.000 -1.256 1.214) 1.747 10.322 ( -0.000 -4.296 11.232) 12.026 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.383 0.764 1.796) 1.989 1.290 ( 1.655 2.398 2.499) 3.839 1.683 ( -0.917 5.451 10.108) 11.520 2.504 ( 1.435 -0.790 2.004) 2.588 2.673 ( -2.475 0.649 -1.030) 2.758 3.030 ( 5.242 15.967 -8.732) 18.939 3.194 ( 5.837 15.758 6.189) 17.907 3.614 ( 1.349 1.525 -3.743) 4.261 3.808 ( -2.669 -5.735 -0.438) 6.341 4.208 ( 5.741 -11.369 1.770) 12.858 4.273 ( -5.507 -11.150 -0.200) 12.437 4.658 ( 5.733 20.882 -6.545) 22.622 4.764 ( 4.734 -4.819 -0.573) 6.779 4.935 ( -4.748 1.234 2.194) 5.374 5.406 ( 0.005 24.136 -0.387) 24.139 5.911 ( 0.839 -10.896 -1.235) 10.998 6.099 ( -0.008 1.259 -1.055) 1.643 6.434 ( -2.334 1.324 2.088) 3.400 6.611 ( -1.909 -9.138 -3.068) 9.826 9.900 ( -0.430 -0.429 0.943) 1.122 10.301 ( -1.839 -3.317 8.268) 9.097 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.984 0.085 0.578) 1.145 1.336 ( 1.225 0.843 1.512) 2.121 1.730 ( -2.298 3.787 6.765) 8.086 2.540 ( 1.629 0.758 2.044) 2.722 2.636 ( -1.239 -0.346 -1.732) 2.157 3.212 ( 3.874 9.183 -5.171) 11.228 3.442 ( 3.309 10.429 0.904) 10.978 3.594 ( 1.316 -4.068 1.061) 4.405 3.792 ( 2.186 4.548 -1.226) 5.193 4.077 ( -3.179 -11.297 0.748) 11.760 4.275 ( 11.709 -8.184 1.223) 14.337 4.720 ( -4.791 -0.301 -0.352) 4.814 4.806 ( -1.306 1.786 -2.296) 3.188 5.066 ( 8.324 17.313 -2.474) 19.369 5.609 ( -0.222 17.791 -2.813) 18.014 5.826 ( 2.823 -11.924 1.653) 12.365 6.092 ( -1.523 1.001 -0.337) 1.853 6.382 ( -3.962 -2.384 1.691) 4.923 6.472 ( -3.819 -7.689 -1.148) 8.661 9.894 ( -0.384 0.156 0.558) 0.695 10.254 ( -3.172 -2.061 5.115) 6.362 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.162 -0.005 0.013) 1.162 1.360 ( 0.634 0.264 0.595) 0.909 1.720 ( -4.042 1.701 2.923) 5.270 2.555 ( -1.783 0.670 1.110) 2.205 2.638 ( 2.292 0.103 -0.965) 2.489 3.300 ( 2.752 0.353 -0.949) 2.932 3.425 ( -4.058 0.952 -2.250) 4.737 3.730 ( 7.180 3.703 2.130) 8.355 3.858 ( -0.355 3.231 0.163) 3.255 3.976 ( 1.721 -5.633 -1.156) 6.003 4.451 ( 14.011 -2.500 0.988) 14.267 4.611 ( -8.690 3.764 1.156) 9.540 4.767 ( -3.205 -2.393 -1.661) 4.331 5.352 ( 9.206 10.959 -2.851) 14.593 5.717 ( 2.442 5.897 -6.504) 9.112 5.789 ( 1.445 -7.585 5.593) 9.534 6.095 ( -0.357 4.225 1.285) 4.431 6.282 ( -2.129 -6.318 -0.057) 6.667 6.323 ( -8.239 -2.812 0.414) 8.715 9.894 ( -0.032 0.259 0.208) 0.334 10.192 ( -3.886 -0.855 2.224) 4.558 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.824 0.000 -0.000) 0.824 1.366 ( -0.127 -0.000 0.000) 0.127 1.649 ( -5.802 -0.000 0.000) 5.802 2.527 ( -1.530 -0.000 0.000) 1.530 2.671 ( 1.057 0.000 -0.000) 1.057 3.337 ( 2.745 0.000 -0.000) 2.745 3.396 ( 0.535 0.000 -0.000) 0.535 3.822 ( 2.059 0.000 -0.000) 2.059 3.847 ( -3.189 -0.000 0.000) 3.189 3.996 ( 2.411 0.000 -0.000) 2.411 4.508 ( -6.002 -0.000 0.000) 6.002 4.645 ( -7.177 -0.000 0.000) 7.177 4.672 ( 10.897 0.000 -0.000) 10.897 5.563 ( 10.275 0.000 -0.000) 10.275 5.680 ( -6.976 -0.000 0.000) 6.976 5.864 ( 9.411 0.000 -0.000) 9.411 6.127 ( -13.345 -0.000 0.000) 13.345 6.145 ( 1.593 0.000 -0.000) 1.593 6.240 ( 2.196 0.000 -0.000) 2.196 9.899 ( 0.535 0.000 -0.000) 0.535 10.125 ( -3.967 -0.000 0.000) 3.967 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 -0.234 0.763) 0.798 1.307 ( -0.000 2.002 1.991) 2.824 1.769 ( -0.000 4.258 7.517) 8.639 2.494 ( -0.000 0.034 2.496) 2.496 2.684 ( 0.000 -1.904 -0.770) 2.054 3.102 ( -0.000 14.122 -8.104) 16.282 3.323 ( -0.000 15.401 5.853) 16.476 3.598 ( 0.000 0.967 -4.321) 4.427 3.781 ( 0.000 -5.308 0.395) 5.322 4.022 ( 0.000 -12.511 -0.573) 12.524 4.234 ( 0.000 -11.505 1.092) 11.557 4.672 ( 0.000 -1.420 0.662) 1.567 4.784 ( -0.000 13.293 -4.448) 14.018 5.022 ( -0.000 9.482 1.960) 9.682 5.632 ( -0.000 21.207 -2.450) 21.348 5.780 ( 0.000 -13.245 0.152) 13.246 6.109 ( 0.000 1.216 -0.785) 1.447 6.474 ( -0.000 1.150 1.239) 1.691 6.519 ( 0.000 -11.037 -1.502) 11.138 9.903 ( -0.000 -0.190 0.781) 0.804 10.311 ( -0.000 -2.468 5.742) 6.250 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.587 -0.251 0.225) 0.677 1.332 ( 0.663 0.760 0.966) 1.397 1.809 ( -1.310 2.209 3.867) 4.642 2.523 ( 1.866 1.062 1.965) 2.911 2.646 ( -1.592 -1.705 -1.226) 2.635 3.228 ( 3.174 7.978 -4.632) 9.756 3.485 ( 2.577 8.962 3.352) 9.909 3.575 ( -2.581 -2.585 -1.103) 3.815 3.765 ( 3.755 2.087 -1.097) 4.434 4.003 ( 9.692 -8.739 0.048) 13.050 4.075 ( -6.521 -7.488 0.865) 9.967 4.700 ( 3.182 -1.507 0.069) 3.522 4.837 ( -0.750 1.283 -1.442) 2.071 5.182 ( 1.016 19.316 0.311) 19.345 5.620 ( 1.075 -14.018 -2.564) 14.291 5.821 ( -1.154 13.107 0.842) 13.185 6.115 ( -0.140 1.015 -0.211) 1.046 6.386 ( -2.652 -8.850 -0.199) 9.241 6.473 ( -1.544 -0.429 0.437) 1.661 9.902 ( -0.251 0.025 0.394) 0.468 10.293 ( -1.720 -1.230 2.814) 3.520 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 1.064 0.000 -0.000) 1.064 1.349 ( 0.830 0.000 -0.000) 0.830 1.791 ( -2.759 -0.000 0.000) 2.759 2.581 ( 3.304 0.000 -0.000) 3.304 2.600 ( -2.259 -0.000 0.000) 2.259 3.285 ( 0.327 0.000 -0.000) 0.327 3.497 ( -4.077 -0.000 0.000) 4.077 3.626 ( 8.079 0.000 -0.000) 8.079 3.869 ( 4.966 0.000 -0.000) 4.966 3.927 ( -5.219 -0.000 0.000) 5.219 4.177 ( 15.240 0.000 -0.000) 15.240 4.711 ( -1.719 -0.000 0.000) 1.719 4.811 ( -2.474 -0.000 0.000) 2.474 5.331 ( 2.397 0.000 -0.000) 2.397 5.580 ( 6.059 0.000 -0.000) 6.059 5.848 ( -3.343 -0.000 0.000) 3.343 6.127 ( 0.176 0.000 -0.000) 0.176 6.283 ( -3.275 -0.000 0.000) 3.275 6.420 ( -4.595 -0.000 0.000) 4.595 9.898 ( -0.271 -0.000 0.000) 0.271 10.250 ( -3.069 -0.000 0.000) 3.069 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 0.000 0.000) 0.000 1.332 ( -0.000 0.000 0.000) 0.000 1.838 ( -0.000 0.000 0.000) 0.000 2.516 ( -0.000 0.000 0.000) 0.000 2.649 ( -0.000 0.000 0.000) 0.000 3.226 ( -0.000 0.000 -0.000) 0.000 3.543 ( -0.000 0.000 0.000) 0.000 3.591 ( -0.000 0.000 -0.000) 0.000 3.726 ( -0.000 0.000 0.000) 0.000 3.853 ( 0.000 -0.000 -0.000) 0.000 4.107 ( 0.000 -0.000 -0.000) 0.000 4.655 ( 0.000 0.000 -0.000) 0.000 4.848 ( -0.000 0.000 0.000) 0.000 5.311 ( -0.000 0.000 0.000) 0.000 5.494 ( 0.000 -0.000 0.000) 0.000 5.913 ( -0.000 0.000 0.000) 0.000 6.118 ( -0.000 0.000 0.000) 0.000 6.354 ( 0.000 -0.000 -0.000) 0.000 6.489 ( -0.000 0.000 0.000) 0.000 9.905 ( -0.000 0.000 0.000) 0.000 10.306 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.139 ( -0.000 -0.000 14.228) 14.228 0.139 ( -0.000 -0.000 14.228) 14.228 0.449 ( -0.000 -0.000 44.872) 44.872 1.382 ( 0.000 0.000 -2.579) 2.579 1.382 ( 0.000 0.000 -2.579) 2.579 2.206 ( 0.000 -0.000 0.256) 0.256 2.206 ( -0.000 -0.000 0.256) 0.256 3.102 ( 0.000 0.000 -0.731) 0.731 3.157 ( -0.000 -0.000 0.146) 0.146 4.594 ( 0.000 0.000 -0.002) 0.002 5.035 ( 0.000 0.000 -4.485) 4.485 5.084 ( 0.000 0.000 -0.236) 0.236 5.084 ( 0.000 0.000 -0.236) 0.236 5.377 ( -0.000 -0.000 0.475) 0.475 5.377 ( -0.000 -0.000 0.475) 0.475 5.833 ( -0.000 -0.000 0.180) 0.180 5.833 ( -0.000 -0.000 0.180) 0.180 5.993 ( -0.000 -0.000 0.547) 0.547 5.993 ( -0.000 -0.000 0.547) 0.547 10.191 ( -0.000 -0.000 1.604) 1.604 11.084 ( -0.000 -0.000 0.220) 0.220 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 17.633 10.180 8.444) 22.042 0.569 ( 13.003 7.507 18.830) 24.083 0.811 ( 20.459 11.812 20.379) 31.199 1.444 ( 9.013 5.204 -7.447) 12.797 1.688 ( 22.301 12.876 0.497) 25.756 2.276 ( 6.127 3.538 -3.886) 8.072 2.306 ( 7.495 4.327 2.117) 8.910 3.075 ( -2.026 -1.170 4.332) 4.924 3.186 ( 7.673 4.430 -1.165) 8.936 4.495 ( -6.511 -3.759 -1.173) 7.610 4.744 ( -7.292 -4.210 7.496) 11.273 4.971 ( -8.126 -4.692 -1.297) 9.472 5.116 ( -3.699 -2.136 1.812) 4.640 5.313 ( -7.337 -4.236 2.272) 8.772 5.345 ( -1.260 -0.728 -2.941) 3.281 5.884 ( 4.210 2.431 0.618) 4.900 5.893 ( 5.332 3.078 -0.319) 6.165 6.044 ( 4.353 2.513 -0.575) 5.059 6.680 ( 24.198 13.971 -43.676) 51.849 10.136 ( -5.539 -3.198 3.340) 7.215 10.555 ( -20.978 -12.112 39.371) 46.226 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 8.680 5.011 20.904) 23.183 0.889 ( 11.605 6.700 6.699) 14.981 1.231 ( 10.610 6.126 9.295) 15.378 1.715 ( 17.050 9.844 -8.783) 21.558 2.215 ( 20.850 12.038 0.786) 24.089 2.450 ( 9.347 5.397 -0.912) 10.832 2.550 ( 13.231 7.639 2.841) 15.540 3.106 ( 4.768 2.753 1.198) 5.634 3.481 ( 19.986 11.539 -4.924) 23.597 4.328 ( -7.859 -4.538 -0.287) 9.080 4.644 ( -3.295 -1.903 2.578) 4.596 4.741 ( -11.535 -6.659 -1.342) 13.386 5.022 ( -4.355 -2.514 0.593) 5.063 5.103 ( -11.333 -6.543 2.146) 13.262 5.257 ( -5.988 -3.457 -1.161) 7.011 6.001 ( 5.427 3.133 0.701) 6.306 6.036 ( 6.531 3.770 -0.223) 7.544 6.145 ( 4.385 2.532 -0.498) 5.088 6.856 ( 5.000 2.887 -24.889) 25.550 10.011 ( -5.599 -3.233 3.494) 7.350 10.377 ( -7.824 -4.517 23.563) 25.235 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 5.489 3.169 4.385) 7.708 1.099 ( 6.675 3.854 15.530) 17.337 1.376 ( 1.626 0.939 6.365) 6.636 2.121 ( 20.750 11.980 -6.915) 24.938 2.524 ( 7.366 4.253 0.642) 8.530 2.616 ( 3.749 2.165 2.023) 4.779 2.894 ( 16.157 9.328 2.589) 18.835 3.318 ( 12.454 7.190 -2.057) 14.527 4.004 ( 23.208 13.399 -6.708) 27.626 4.179 ( -1.341 -0.774 -0.241) 1.567 4.458 ( -13.273 -7.663 -1.101) 15.366 4.649 ( 4.274 2.467 2.758) 5.653 4.841 ( -12.401 -7.160 1.692) 14.419 4.932 ( -3.781 -2.183 -1.167) 4.520 5.091 ( -7.850 -4.532 0.228) 9.068 6.115 ( 4.547 2.625 -0.160) 5.253 6.148 ( 3.046 1.759 -0.295) 3.529 6.228 ( 2.943 1.699 0.537) 3.441 6.808 ( -3.056 -1.765 -13.340) 13.799 9.921 ( -3.113 -1.797 1.011) 3.734 10.292 ( -6.037 -3.486 16.027) 17.477 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 2.289 1.321 2.808) 3.856 1.260 ( 3.937 2.273 9.059) 10.135 1.399 ( -0.532 -0.307 5.320) 5.355 2.570 ( 20.727 11.967 -4.895) 24.429 2.585 ( -1.947 -1.124 2.744) 3.548 2.676 ( 2.736 1.579 0.004) 3.159 3.268 ( 16.159 9.329 1.901) 18.755 3.530 ( 6.715 3.877 -4.613) 9.022 4.005 ( -5.645 -3.259 1.951) 6.805 4.146 ( -14.295 -8.253 -0.516) 16.515 4.564 ( -12.634 -7.294 1.073) 14.628 4.629 ( 21.512 12.420 -11.118) 27.215 4.810 ( -5.565 -3.213 -0.476) 6.443 4.907 ( 15.688 9.058 8.469) 19.997 4.994 ( 3.153 1.820 -2.108) 4.207 6.152 ( -2.693 -1.555 -2.033) 3.715 6.198 ( 3.042 1.756 -2.020) 4.052 6.282 ( 1.580 0.912 2.475) 3.075 6.644 ( -8.776 -5.067 -5.079) 11.336 9.877 ( -0.978 -0.565 -0.266) 1.161 10.207 ( -5.561 -3.211 11.341) 13.032 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 0.660 0.381 1.936) 2.080 1.330 ( 0.949 0.548 2.391) 2.630 1.408 ( -0.379 -0.219 5.883) 5.899 2.521 ( -3.523 -2.034 2.249) 4.649 2.725 ( 1.657 0.957 -1.222) 2.271 3.004 ( 19.057 11.003 -3.607) 22.299 3.616 ( 14.004 8.085 1.786) 16.268 3.625 ( 4.158 2.401 -4.784) 6.778 3.817 ( -14.800 -8.545 -0.211) 17.091 3.889 ( -5.191 -2.997 1.882) 6.283 4.285 ( -12.459 -7.193 0.513) 14.396 4.671 ( -5.208 -3.007 0.927) 6.085 4.792 ( 1.074 0.620 -1.826) 2.207 5.278 ( 17.498 10.103 -5.065) 20.830 5.419 ( 24.226 13.987 2.325) 28.070 6.011 ( -8.484 -4.898 -5.724) 11.346 6.237 ( 1.413 0.816 -3.755) 4.094 6.318 ( 0.671 0.387 4.193) 4.263 6.387 ( -13.758 -7.943 2.834) 16.137 9.873 ( 0.616 0.356 -0.522) 0.883 10.121 ( -4.767 -2.752 7.589) 9.375 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.442 -0.255 1.368) 1.460 1.342 ( 0.153 0.089 -0.271) 0.324 1.396 ( -2.585 -1.493 4.145) 5.108 2.470 ( -1.061 -0.612 0.452) 1.305 2.741 ( 0.217 0.125 -1.653) 1.672 3.382 ( 13.458 7.770 -3.832) 16.006 3.471 ( -14.465 -8.351 2.919) 16.955 3.708 ( 4.502 2.599 -4.104) 6.623 3.792 ( -3.654 -2.110 2.155) 4.738 3.868 ( 2.557 1.476 -0.419) 2.983 4.068 ( -1.094 -0.632 0.589) 1.394 4.609 ( -0.395 -0.228 0.818) 0.937 4.806 ( 0.876 0.506 0.939) 1.380 5.525 ( -2.529 -1.460 -1.011) 3.091 5.760 ( 0.980 0.566 -16.623) 16.661 5.933 ( 7.683 4.436 -0.241) 8.874 6.103 ( -4.841 -2.795 13.306) 14.433 6.240 ( 0.083 0.048 -4.201) 4.202 6.339 ( -0.159 -0.092 4.583) 4.587 9.897 ( 1.512 0.873 0.140) 1.751 10.048 ( -3.337 -1.927 3.988) 5.546 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -1.632 -0.942 0.879) 2.079 1.307 ( -5.407 -3.122 -1.263) 6.370 1.345 ( -0.531 -0.307 2.070) 2.159 2.481 ( 2.011 1.161 -1.628) 2.835 2.724 ( -1.307 -0.755 -0.987) 1.804 3.091 ( -18.057 -10.425 5.060) 21.456 3.491 ( -8.376 -4.836 -9.003) 13.214 3.704 ( -3.292 -1.901 2.134) 4.359 3.832 ( 5.664 3.270 -2.985) 7.189 3.892 ( 9.636 5.563 5.417) 12.375 4.263 ( 11.919 6.881 -1.544) 13.849 4.659 ( 4.682 2.703 -0.179) 5.410 4.839 ( 1.267 0.731 2.796) 3.156 5.177 ( -19.803 -11.433 -9.913) 24.922 5.507 ( -21.388 -12.348 6.453) 25.525 6.007 ( 7.783 4.493 -6.220) 10.929 6.215 ( -1.152 -0.665 -4.052) 4.265 6.340 ( -1.043 -0.602 4.442) 4.602 6.427 ( 15.971 9.221 6.178) 19.450 9.937 ( 1.356 0.783 3.505) 3.839 10.002 ( -1.064 -0.614 -1.540) 1.970 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -9.050 -5.225 -1.313) 10.532 1.161 ( -3.587 -2.071 0.298) 4.152 1.340 ( -0.451 -0.261 0.340) 0.622 2.525 ( 1.752 1.011 -2.910) 3.544 2.679 ( -2.593 -1.497 0.364) 3.017 2.690 ( -19.448 -11.228 6.953) 23.509 3.170 ( -15.369 -8.873 -7.773) 19.374 3.606 ( -7.391 -4.267 2.264) 8.829 3.955 ( 6.003 3.466 -2.520) 7.376 4.192 ( 13.711 7.916 3.844) 16.292 4.527 ( 12.197 7.042 -2.472) 14.299 4.657 ( -20.685 -11.942 -11.285) 26.416 4.806 ( 3.147 1.817 -0.168) 3.638 4.848 ( -2.825 -1.631 5.553) 6.441 5.074 ( -12.989 -7.499 5.134) 15.853 6.119 ( 3.294 1.902 -4.462) 5.864 6.161 ( -2.557 -1.476 -3.553) 4.619 6.320 ( -2.092 -1.208 4.084) 4.745 6.761 ( 12.197 7.042 4.637) 14.828 9.964 ( -0.834 -0.482 6.880) 6.947 10.005 ( 2.774 1.601 -6.106) 6.895 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -11.647 -6.724 -0.267) 13.451 1.042 ( -7.344 -4.240 -0.504) 8.495 1.312 ( -2.845 -1.643 0.483) 3.321 2.275 ( -19.593 -11.312 8.303) 24.100 2.483 ( -6.381 -3.684 -3.185) 8.028 2.612 ( -3.904 -2.254 1.456) 4.737 2.794 ( -15.449 -8.919 -7.459) 19.335 3.351 ( -14.558 -8.405 1.209) 16.854 4.000 ( -13.049 -7.534 -5.857) 16.166 4.202 ( -4.518 -2.608 -0.140) 5.218 4.504 ( 12.904 7.450 3.240) 15.248 4.627 ( -6.423 -3.708 1.927) 7.662 4.792 ( 12.188 7.037 -2.892) 14.367 4.973 ( 3.853 2.225 2.538) 5.122 5.061 ( 6.859 3.960 -2.347) 8.260 6.077 ( -3.955 -2.283 -2.763) 5.337 6.122 ( -1.890 -1.091 -2.363) 3.217 6.270 ( -3.488 -2.014 3.563) 5.378 7.004 ( 8.467 4.888 2.262) 10.035 9.964 ( 0.050 0.029 0.173) 0.183 10.063 ( 2.787 1.609 1.638) 3.611 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -13.007 -7.510 5.856) 16.121 0.811 ( -13.359 -7.713 -1.102) 15.465 1.172 ( -11.484 -6.630 2.741) 13.541 1.881 ( -17.615 -10.170 7.477) 21.670 2.150 ( -21.711 -12.535 -4.819) 25.528 2.460 ( -11.691 -6.750 -5.853) 14.714 2.495 ( -7.006 -4.045 2.478) 8.460 3.101 ( -6.466 -3.733 1.233) 7.568 3.509 ( -20.035 -11.567 -2.540) 23.274 4.346 ( 9.079 5.242 0.740) 10.509 4.585 ( 1.422 0.821 -0.954) 1.899 4.785 ( 11.125 6.423 2.696) 13.126 5.032 ( 1.779 1.027 1.401) 2.486 5.048 ( 11.312 6.531 -2.940) 13.388 5.233 ( 7.667 4.427 -2.841) 9.298 5.971 ( -4.719 -2.724 -1.755) 5.724 6.031 ( -5.435 -3.138 -0.343) 6.286 6.186 ( -5.012 -2.894 2.904) 6.475 7.146 ( 4.351 2.512 -7.738) 9.226 9.976 ( 1.194 0.689 2.557) 2.904 10.137 ( 2.356 1.360 8.205) 8.644 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -0.000 19.537 4.590) 20.069 0.618 ( -0.000 13.771 18.974) 23.444 0.933 ( -0.000 20.324 25.198) 32.373 1.560 ( -0.000 22.819 -6.604) 23.756 1.568 ( -0.000 16.475 -0.628) 16.487 2.234 ( -0.000 4.635 -1.349) 4.827 2.334 ( -0.000 9.523 0.144) 9.524 3.095 ( -0.000 -1.834 3.764) 4.187 3.175 ( -0.000 7.794 -1.784) 7.996 4.500 ( 0.000 -6.774 -0.637) 6.804 4.758 ( 0.000 -12.100 5.287) 13.204 5.018 ( 0.000 -7.695 0.979) 7.758 5.067 ( 0.000 -1.465 -0.756) 1.649 5.247 ( 0.000 -10.097 -1.037) 10.150 5.343 ( 0.000 -5.273 -0.949) 5.358 5.865 ( -0.000 3.420 -0.377) 3.441 5.911 ( -0.000 6.241 0.938) 6.311 6.093 ( -0.000 6.782 2.044) 7.084 6.559 ( 0.000 29.894 -35.668) 46.539 10.148 ( 0.000 -5.758 3.390) 6.682 10.673 ( -0.000 -23.510 30.607) 38.594 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 11.260 11.255 7.927) 17.785 0.862 ( 7.366 9.036 17.374) 20.922 1.211 ( 4.455 11.289 14.074) 18.585 1.710 ( 1.973 24.507 -6.070) 25.324 2.023 ( 18.524 20.170 0.551) 27.391 2.356 ( 7.586 7.641 -1.406) 10.858 2.481 ( 5.818 9.835 1.516) 11.527 3.105 ( 0.798 3.011 2.114) 3.765 3.344 ( 9.478 14.346 -4.958) 17.895 4.382 ( -5.132 -7.019 -0.345) 8.702 4.627 ( -3.010 -8.232 1.613) 8.913 4.909 ( -6.752 -3.044 0.209) 7.410 5.020 ( -1.868 -6.470 2.074) 7.047 5.104 ( -3.574 -13.226 0.098) 13.701 5.276 ( -0.652 -6.309 -3.425) 7.208 5.947 ( 4.552 3.804 -0.662) 5.969 5.998 ( 2.935 5.844 0.634) 6.570 6.158 ( -0.134 6.988 1.593) 7.169 6.740 ( 5.358 11.889 -26.112) 29.187 10.064 ( -3.788 -5.943 4.229) 8.219 10.518 ( -6.624 -10.611 24.396) 27.416 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 6.148 4.465 10.341) 12.832 1.115 ( 6.167 7.173 10.975) 14.490 1.374 ( 2.584 2.776 9.174) 9.927 2.013 ( 8.905 22.639 -7.204) 25.372 2.438 ( 10.268 9.459 0.869) 13.987 2.581 ( 7.055 7.416 2.176) 10.464 2.727 ( 13.532 8.472 2.169) 16.112 3.235 ( 7.021 10.212 -0.684) 12.412 3.747 ( 20.566 19.348 -9.773) 29.880 4.213 ( -5.759 -7.618 1.214) 9.627 4.526 ( -3.097 -4.479 1.820) 5.742 4.754 ( -9.491 3.592 -0.412) 10.156 4.873 ( -6.553 -13.719 0.717) 15.221 4.947 ( -0.559 -7.043 1.309) 7.185 5.159 ( -4.930 -6.002 -2.856) 8.276 6.051 ( 4.541 2.029 -1.775) 5.280 6.107 ( 3.816 2.819 0.381) 4.760 6.232 ( 0.917 5.027 2.198) 5.563 6.781 ( 0.112 2.285 -15.881) 16.045 9.963 ( -3.697 -3.618 3.122) 6.041 10.406 ( -5.959 -5.917 17.444) 19.360 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 3.020 2.198 5.318) 6.498 1.272 ( 2.644 3.812 7.905) 9.165 1.433 ( -0.471 1.384 8.414) 8.540 2.378 ( 13.625 15.261 -5.529) 21.192 2.588 ( 2.707 1.337 1.119) 3.220 2.698 ( 0.968 6.597 1.646) 6.867 3.095 ( 16.413 10.435 1.697) 19.524 3.459 ( 6.797 8.436 -3.313) 11.329 4.002 ( -3.066 -8.889 0.153) 9.404 4.311 ( 11.420 8.274 -6.974) 15.732 4.399 ( -1.738 9.105 -3.452) 9.891 4.616 ( -7.787 -14.028 0.878) 16.068 4.797 ( 7.374 8.786 4.709) 12.400 4.902 ( -0.088 -1.282 -0.646) 1.439 4.997 ( -5.949 -3.880 -0.935) 7.164 6.116 ( 2.805 -1.128 -3.852) 4.897 6.163 ( 1.660 -0.229 0.128) 1.681 6.293 ( 0.530 2.893 3.175) 4.328 6.698 ( -4.876 -2.797 -7.687) 9.523 9.897 ( -2.095 -1.492 1.716) 3.092 10.307 ( -5.847 -4.512 12.529) 14.544 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.941 1.201 2.818) 3.204 1.334 ( 0.505 0.803 2.396) 2.577 1.462 ( -1.704 2.507 8.857) 9.361 2.555 ( -1.084 -2.253 2.037) 3.226 2.656 ( 5.286 0.682 -2.065) 5.715 2.888 ( 9.822 16.983 -2.557) 19.785 3.460 ( 14.839 9.358 -0.071) 17.544 3.587 ( 3.197 5.331 -4.096) 7.444 3.838 ( -4.798 -10.519 1.538) 11.663 4.122 ( -15.601 1.832 1.043) 15.743 4.349 ( -8.634 -13.025 0.611) 15.638 4.730 ( 7.580 3.297 -4.897) 9.608 4.800 ( -8.261 0.197 -0.148) 8.265 5.046 ( 17.149 8.972 -7.777) 20.858 5.210 ( 18.127 14.422 6.594) 24.085 6.055 ( -4.660 -5.012 -4.858) 8.392 6.190 ( 2.518 -1.117 -2.174) 3.509 6.326 ( 0.157 0.571 4.090) 4.133 6.519 ( -9.522 -6.154 -0.655) 11.357 9.873 ( -0.415 -0.064 0.903) 0.995 10.206 ( -5.552 -3.620 8.825) 11.037 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -0.354 0.735 1.868) 2.038 1.342 ( -0.140 0.360 -0.686) 0.787 1.467 ( -3.517 1.240 7.469) 8.348 2.500 ( -2.735 -1.226 1.653) 3.423 2.704 ( 2.384 -1.192 -2.093) 3.389 3.232 ( 13.153 12.454 -3.436) 18.437 3.616 ( -7.742 -8.717 -0.202) 11.661 3.684 ( 3.123 7.130 -3.764) 8.647 3.788 ( 10.279 7.970 1.406) 13.083 3.906 ( -11.222 1.098 1.144) 11.334 4.081 ( -8.674 -11.902 0.793) 14.748 4.698 ( -5.494 3.481 0.515) 6.524 4.784 ( 1.874 -0.740 0.313) 2.039 5.430 ( 15.665 8.945 -4.737) 18.651 5.641 ( 12.179 6.027 -6.478) 15.054 5.886 ( -2.908 -0.848 -1.981) 3.620 6.196 ( -0.613 -3.750 -0.888) 3.902 6.260 ( -9.841 -6.975 4.655) 12.929 6.349 ( -0.308 -0.487 3.632) 3.677 9.884 ( 0.929 0.723 0.440) 1.257 10.113 ( -4.707 -2.692 6.075) 8.143 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -1.570 0.389 1.455) 2.175 1.333 ( -0.919 0.407 -3.564) 3.703 1.413 ( -5.592 -1.083 7.547) 9.455 2.473 ( -0.307 0.825 -0.000) 0.880 2.709 ( 0.717 -1.713 -1.480) 2.374 3.342 ( -16.020 -5.286 3.635) 17.257 3.493 ( 5.389 5.159 -6.802) 10.096 3.717 ( -3.707 -3.494 -3.564) 6.217 3.798 ( -4.078 0.304 1.165) 4.252 3.906 ( 1.821 6.368 2.666) 7.140 4.071 ( 13.155 2.770 -0.133) 13.444 4.694 ( -0.931 6.678 0.274) 6.748 4.812 ( 2.237 -1.250 2.011) 3.257 5.371 ( -17.201 -8.083 -7.303) 20.360 5.705 ( -6.370 -2.753 -1.613) 7.124 5.900 ( 1.478 -1.082 -4.557) 4.912 6.179 ( 4.506 -1.242 -1.257) 4.840 6.261 ( 8.997 3.135 6.044) 11.283 6.368 ( 2.200 1.524 3.930) 4.755 9.918 ( 1.907 1.053 -0.164) 2.185 10.039 ( -3.408 -1.780 4.537) 5.947 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -4.027 -0.938 0.979) 4.249 1.254 ( -6.946 -0.782 -2.030) 7.278 1.355 ( -1.802 -1.221 5.308) 5.737 2.498 ( 1.554 1.674 -1.377) 2.667 2.685 ( -1.059 -2.328 0.022) 2.558 3.008 ( -20.934 -1.870 5.513) 21.729 3.318 ( -14.454 -6.721 -8.749) 18.184 3.690 ( -4.654 -0.697 0.462) 4.729 3.810 ( 9.748 -1.657 0.019) 9.888 4.126 ( 8.120 12.036 1.973) 14.653 4.316 ( 13.667 1.862 -1.555) 13.881 4.789 ( 3.572 6.602 -0.665) 7.536 4.843 ( 2.220 -2.264 3.279) 4.562 4.928 ( -22.602 -4.618 -10.623) 25.398 5.307 ( -22.287 -12.757 6.984) 26.613 6.038 ( 7.261 3.014 -5.648) 9.680 6.168 ( -0.794 -1.167 -3.430) 3.709 6.328 ( 0.355 -3.172 4.410) 5.443 6.619 ( 13.690 6.343 3.568) 15.504 9.959 ( 1.905 1.003 -4.918) 5.369 10.001 ( -1.240 -0.932 8.407) 8.549 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -10.932 -3.907 2.050) 11.789 1.150 ( -6.733 0.218 0.916) 6.798 1.335 ( -1.334 -1.353 2.921) 3.485 2.510 ( -2.704 -0.377 -0.360) 2.754 2.592 ( -13.140 -2.994 3.478) 13.919 2.687 ( -11.919 0.707 2.111) 12.125 2.953 ( -16.308 -7.794 -7.177) 19.448 3.536 ( -12.422 -3.595 0.649) 12.948 3.969 ( 9.154 0.516 -1.170) 9.243 4.332 ( -1.922 1.398 -4.987) 5.524 4.467 ( -9.712 2.157 -1.645) 10.084 4.593 ( 9.627 0.841 -1.509) 9.781 4.763 ( -8.523 -4.680 5.203) 11.028 4.945 ( 1.639 2.879 0.871) 3.425 4.993 ( 2.330 -0.496 -0.095) 2.384 6.115 ( 1.541 0.643 -3.057) 3.483 6.119 ( -3.017 -0.364 -2.756) 4.102 6.301 ( -1.515 -2.999 3.716) 5.010 6.883 ( 11.043 3.359 0.030) 11.543 9.955 ( 0.216 0.080 -4.768) 4.774 10.049 ( 2.342 0.354 9.619) 9.906 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -12.833 -3.094 8.270) 15.577 1.001 ( -11.770 -0.213 1.374) 11.852 1.282 ( -5.096 -2.079 3.384) 6.461 2.216 ( -24.087 -2.364 3.457) 24.448 2.362 ( -14.846 -4.704 -1.616) 15.657 2.571 ( -6.983 -2.017 -1.853) 7.501 2.636 ( -12.340 -1.630 -0.831) 12.475 3.251 ( -14.489 -2.488 0.415) 14.707 3.826 ( -26.929 -3.151 -6.078) 27.786 4.210 ( 9.801 0.531 0.491) 9.827 4.512 ( 4.093 -2.955 2.524) 5.644 4.760 ( 3.332 9.770 0.935) 10.365 4.841 ( 14.989 1.418 -1.161) 15.100 4.954 ( 4.335 -6.174 1.642) 7.720 5.158 ( 7.639 5.885 -2.673) 10.007 6.043 ( -5.085 0.443 -1.746) 5.395 6.089 ( -3.546 -0.712 -0.793) 3.703 6.241 ( -3.591 -2.763 2.700) 5.274 7.043 ( 6.634 0.692 -8.172) 10.549 9.957 ( 1.588 0.138 -1.570) 2.237 10.135 ( 3.148 0.307 13.031) 13.409 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -0.000 15.365 3.997) 15.876 0.950 ( -0.000 8.334 17.873) 19.721 1.332 ( -0.000 8.554 12.263) 14.952 1.953 ( -0.000 22.779 -2.304) 22.895 2.083 ( -0.000 28.335 -0.227) 28.335 2.373 ( -0.000 10.643 -0.812) 10.674 2.533 ( -0.000 8.968 1.411) 9.078 3.139 ( -0.000 5.527 1.771) 5.804 3.403 ( -0.000 17.785 -7.238) 19.202 4.349 ( 0.000 -8.640 0.347) 8.647 4.607 ( 0.000 -3.176 0.853) 3.288 4.822 ( 0.000 -12.426 0.361) 12.431 5.014 ( 0.000 -12.980 0.144) 12.981 5.060 ( -0.000 -0.311 1.092) 1.135 5.173 ( 0.000 -9.934 -2.840) 10.332 5.942 ( -0.000 4.513 -1.008) 4.624 6.033 ( -0.000 4.744 0.548) 4.775 6.241 ( -0.000 6.449 2.368) 6.870 6.740 ( 0.000 11.049 -21.832) 24.469 10.047 ( -0.000 -6.491 4.347) 7.813 10.538 ( -0.000 -10.702 20.604) 23.218 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.586 8.388 7.243) 11.994 1.112 ( 4.692 6.429 10.774) 13.395 1.433 ( -0.242 5.344 10.662) 11.929 2.160 ( 0.120 24.031 -7.183) 25.082 2.398 ( 7.624 13.694 2.676) 15.900 2.553 ( 6.857 11.971 2.843) 14.086 2.657 ( 5.387 7.326 1.531) 9.221 3.259 ( 3.398 12.880 0.554) 13.332 3.639 ( 10.420 19.046 -11.487) 24.561 4.227 ( -4.507 -8.363 1.255) 9.582 4.566 ( -3.222 1.217 1.820) 3.896 4.771 ( 5.168 -7.788 -0.557) 9.363 4.839 ( -4.557 -13.555 1.151) 14.347 4.981 ( -8.217 -0.730 0.850) 8.293 5.091 ( 1.758 -9.260 -3.518) 10.061 6.010 ( 2.776 3.195 -1.366) 4.448 6.084 ( 1.912 2.015 0.317) 2.796 6.297 ( -0.914 5.498 2.480) 6.100 6.760 ( 0.022 4.214 -15.197) 15.771 9.984 ( -2.109 -4.758 3.778) 6.431 10.476 ( -3.384 -7.734 16.243) 18.306 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 2.256 3.172 6.847) 7.876 1.267 ( 4.157 2.924 4.781) 6.977 1.506 ( -0.872 4.590 10.897) 11.856 2.376 ( 3.911 17.684 -7.134) 19.466 2.556 ( 3.063 1.964 1.452) 3.917 2.746 ( 3.372 8.737 1.356) 9.463 2.947 ( 14.633 12.458 3.457) 19.526 3.456 ( 4.142 11.462 -1.423) 12.271 3.939 ( 4.401 -0.320 -5.821) 7.304 4.153 ( 8.518 9.071 -5.020) 13.418 4.535 ( -3.198 -2.723 0.563) 4.237 4.625 ( -6.108 -8.148 2.150) 10.408 4.816 ( -1.604 -6.406 1.404) 6.752 4.869 ( 0.711 10.718 -0.065) 10.742 5.013 ( -0.681 -5.948 -3.056) 6.722 6.061 ( 1.889 0.649 -2.444) 3.156 6.125 ( 1.872 -1.532 0.485) 2.467 6.336 ( -0.745 3.422 3.091) 4.671 6.712 ( -2.709 -1.314 -8.878) 9.375 9.922 ( -2.087 -2.431 2.751) 4.223 10.388 ( -4.729 -5.822 12.152) 14.280 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 1.073 1.228 3.742) 4.082 1.335 ( 1.164 0.655 1.899) 2.322 1.561 ( -2.072 4.366 9.892) 11.009 2.532 ( 2.425 3.135 -1.213) 4.145 2.604 ( 2.180 0.982 -0.735) 2.502 2.924 ( 5.170 14.970 -1.953) 15.958 3.310 ( 13.597 9.780 1.243) 16.795 3.588 ( 2.579 6.736 -2.595) 7.665 3.823 ( -3.876 -8.359 0.825) 9.251 4.344 ( -8.063 -9.187 -0.971) 12.262 4.387 ( -5.614 0.202 2.534) 6.163 4.612 ( 7.138 10.960 -7.544) 15.099 4.785 ( 7.469 -5.347 -2.175) 9.440 4.944 ( -0.012 3.209 -2.091) 3.831 5.137 ( 10.388 16.348 2.826) 19.574 6.060 ( -1.836 -1.584 -3.184) 4.002 6.120 ( 2.146 -4.488 0.132) 4.977 6.353 ( -1.035 0.625 3.466) 3.671 6.587 ( -6.100 -5.116 -3.460) 8.681 9.888 ( -1.082 -0.651 1.842) 2.233 10.288 ( -5.240 -4.520 8.667) 11.091 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.361 0.551 1.984) 2.090 1.349 ( -0.222 0.567 -0.246) 0.657 1.577 ( -3.879 2.749 7.952) 9.265 2.533 ( -1.654 -1.185 1.847) 2.749 2.649 ( 2.327 0.354 -2.028) 3.107 3.170 ( 7.717 12.831 -3.173) 15.305 3.534 ( 6.015 -3.776 -2.488) 7.525 3.694 ( 3.590 7.539 -1.715) 8.524 3.754 ( 2.037 2.529 2.965) 4.397 4.099 ( -10.163 -8.172 -2.207) 13.227 4.211 ( -14.092 3.183 3.392) 14.840 4.719 ( 4.122 -2.333 1.146) 4.873 4.793 ( -2.227 -0.015 -2.360) 3.245 5.215 ( 17.947 12.839 -7.876) 23.430 5.496 ( 12.403 11.060 0.486) 16.625 5.947 ( -6.060 -2.283 -2.067) 6.798 6.128 ( 3.260 -3.979 -0.842) 5.212 6.330 ( -3.053 -4.082 4.378) 6.720 6.396 ( -7.459 -5.582 0.177) 9.318 9.884 ( 0.077 0.338 1.095) 1.148 10.186 ( -5.009 -3.366 6.045) 8.542 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.480 0.404 1.277) 1.423 1.343 ( -0.801 0.780 -2.147) 2.421 1.534 ( -5.933 0.363 7.048) 9.219 2.501 ( -1.685 0.222 1.556) 2.304 2.673 ( 1.326 -0.380 -1.698) 2.188 3.369 ( 5.547 3.080 -3.494) 7.243 3.496 ( -0.066 -3.026 0.242) 3.037 3.816 ( -8.932 -6.953 -1.395) 11.405 3.847 ( -0.838 6.810 -2.038) 7.158 3.879 ( 4.724 2.266 -0.605) 5.274 4.085 ( -6.364 10.913 4.142) 13.294 4.751 ( -1.083 -1.618 -0.612) 2.041 4.769 ( 2.512 0.888 1.191) 2.918 5.526 ( -6.990 -1.767 -0.816) 7.256 5.605 ( 11.668 7.152 -11.910) 18.142 5.947 ( -1.775 1.521 -1.894) 3.009 6.090 ( -1.225 -6.531 4.453) 7.999 6.198 ( 2.096 -1.850 3.531) 4.504 6.347 ( 1.231 -1.642 2.136) 2.961 9.901 ( 1.048 0.693 0.159) 1.267 10.099 ( -4.066 -2.354 4.728) 6.665 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -2.058 0.156 0.805) 2.216 1.318 ( -2.248 0.887 -4.091) 4.752 1.441 ( -6.689 -1.763 8.751) 11.155 2.501 ( 0.141 1.684 0.378) 1.732 2.673 ( 0.021 -1.151 -0.727) 1.362 3.303 ( -10.091 -0.676 1.785) 10.270 3.486 ( -16.291 -3.189 -5.917) 17.624 3.609 ( 8.958 -1.549 -0.520) 9.106 3.793 ( -5.307 -1.183 1.310) 5.592 4.073 ( 10.041 6.682 -1.356) 12.137 4.222 ( 3.602 12.131 2.213) 12.847 4.719 ( 2.485 -7.640 0.701) 8.065 4.832 ( 1.998 3.925 -0.011) 4.405 5.229 ( -18.567 -0.449 -6.816) 19.783 5.585 ( -20.679 -8.961 3.678) 22.835 5.904 ( 10.138 4.131 -5.204) 12.122 6.130 ( 2.873 -1.653 -2.338) 4.056 6.280 ( 3.123 -3.196 4.794) 6.554 6.463 ( 11.432 3.697 2.056) 12.190 9.928 ( 1.402 0.684 -2.316) 2.793 10.042 ( -2.196 -1.613 6.272) 6.838 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -7.231 -0.882 -0.136) 7.286 1.257 ( -4.757 1.037 0.402) 4.885 1.366 ( -2.953 -2.004 7.442) 8.254 2.527 ( 0.435 1.509 -0.221) 1.586 2.646 ( -1.635 -1.586 -0.333) 2.303 3.067 ( -21.952 2.681 4.018) 22.477 3.137 ( -14.826 -4.807 -5.389) 16.491 3.676 ( -6.393 -0.456 -1.477) 6.577 3.788 ( 10.260 -0.790 1.056) 10.345 4.305 ( 10.502 4.647 -0.932) 11.522 4.387 ( 4.369 5.489 0.638) 7.044 4.702 ( 4.507 -6.409 0.636) 7.860 4.841 ( -13.688 2.033 -6.295) 15.202 4.970 ( -3.417 5.259 -2.498) 6.751 5.127 ( -21.180 -9.088 5.749) 23.753 6.062 ( 5.528 2.427 -2.450) 6.516 6.137 ( -0.020 0.164 -2.667) 2.672 6.290 ( 0.692 -3.078 3.904) 5.020 6.705 ( 12.535 1.406 -0.657) 12.631 9.933 ( 0.323 0.195 -5.299) 5.312 10.049 ( 1.269 -0.904 10.216) 10.334 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -10.390 0.075 5.833) 11.916 1.172 ( -7.362 0.280 3.241) 8.049 1.336 ( -1.886 -0.815 4.724) 5.151 2.494 ( -9.624 -2.822 -3.725) 10.699 2.551 ( -8.154 0.066 -0.543) 8.172 2.716 ( -14.159 -1.326 1.239) 14.274 2.879 ( -16.493 4.877 2.568) 17.389 3.490 ( -13.896 -0.663 -1.342) 13.977 3.975 ( 10.607 0.529 0.116) 10.620 4.326 ( -19.311 5.651 -9.998) 22.468 4.486 ( -8.674 -3.942 5.411) 10.957 4.591 ( 14.563 -0.001 0.690) 14.580 4.790 ( 6.798 0.759 0.915) 6.901 4.858 ( -5.987 -2.680 0.702) 6.597 5.062 ( 6.722 1.203 -1.429) 6.977 6.112 ( -2.207 1.546 -2.095) 3.413 6.124 ( -0.304 1.300 -0.239) 1.357 6.270 ( -1.560 -1.918 2.785) 3.724 6.883 ( 9.358 -1.051 -6.165) 11.255 9.925 ( 0.908 -0.207 -3.810) 3.922 10.120 ( 3.374 -0.783 12.793) 13.254 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -0.000 9.114 4.037) 9.968 1.161 ( -0.000 3.648 9.991) 10.636 1.525 ( -0.000 5.457 10.550) 11.878 2.370 ( -0.000 22.878 -8.502) 24.406 2.457 ( -0.000 7.963 2.804) 8.442 2.644 ( -0.000 16.034 4.422) 16.632 2.668 ( -0.000 3.663 1.843) 4.100 3.379 ( -0.000 15.629 1.448) 15.696 3.686 ( 0.000 17.415 -12.571) 21.478 4.204 ( 0.000 -5.337 1.051) 5.439 4.560 ( 0.000 -14.019 -0.848) 14.045 4.713 ( -0.000 13.268 1.187) 13.321 4.757 ( 0.000 -14.003 1.629) 14.097 4.961 ( 0.000 -8.628 -2.243) 8.915 5.050 ( 0.000 -1.333 0.510) 1.427 6.016 ( -0.000 3.687 -1.012) 3.823 6.075 ( 0.000 -0.861 -0.238) 0.894 6.363 ( -0.000 4.579 1.914) 4.963 6.750 ( 0.000 1.938 -11.874) 12.031 9.968 ( -0.000 -4.253 3.510) 5.514 10.478 ( -0.000 -7.534 13.541) 15.496 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.745 3.283 5.722) 6.639 1.243 ( 3.216 2.900 3.967) 5.873 1.607 ( -0.705 5.623 9.984) 11.481 2.499 ( -1.079 10.299 -3.401) 10.899 2.548 ( 0.464 7.225 -2.256) 7.583 2.753 ( 5.311 7.097 -0.405) 8.874 2.900 ( 8.375 16.088 5.899) 19.073 3.514 ( 1.316 8.761 -1.189) 8.939 3.861 ( 4.517 7.097 -6.533) 10.651 4.165 ( -0.810 7.656 -1.781) 7.902 4.459 ( 3.104 -11.326 -1.161) 11.801 4.588 ( -2.951 -12.561 1.329) 12.972 4.857 ( 2.242 2.487 0.207) 3.355 4.932 ( -1.175 0.591 0.336) 1.357 5.000 ( -2.803 8.387 -1.217) 8.926 6.040 ( 0.267 -1.035 -1.252) 1.646 6.077 ( 2.016 -1.065 0.134) 2.284 6.396 ( -1.248 3.234 1.890) 3.948 6.706 ( -1.557 -2.016 -7.735) 8.143 9.933 ( -1.072 -2.668 2.790) 4.006 10.427 ( -2.473 -6.375 10.353) 12.407 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.749 0.354 3.764) 3.854 1.321 ( 2.115 1.196 1.801) 3.025 1.670 ( -1.686 4.842 8.256) 9.719 2.542 ( 0.537 1.300 0.381) 1.458 2.593 ( -0.099 3.981 -2.110) 4.507 2.954 ( 6.657 13.193 -3.937) 15.293 3.226 ( 9.960 12.880 4.028) 16.773 3.599 ( 2.201 4.390 -2.066) 5.328 3.813 ( -3.374 -6.626 -0.225) 7.439 4.300 ( -1.053 -8.466 0.499) 8.546 4.398 ( 5.328 1.216 0.217) 5.469 4.582 ( 8.772 6.538 -6.631) 12.793 4.760 ( -10.074 -1.035 0.551) 10.142 4.920 ( 3.247 -1.236 -1.110) 3.647 5.205 ( 3.701 21.118 -0.130) 21.440 6.018 ( 2.227 -6.127 -0.442) 6.534 6.082 ( -1.116 -0.760 -0.158) 1.360 6.396 ( -2.096 0.876 2.242) 3.191 6.606 ( -3.766 -5.397 -4.123) 7.766 9.905 ( -1.023 -1.073 1.981) 2.475 10.345 ( -3.929 -5.066 7.226) 9.660 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.771 -0.267 1.992) 2.152 1.353 ( 0.525 0.538 0.249) 0.792 1.690 ( -3.304 2.878 6.013) 7.440 2.550 ( -0.741 0.170 1.104) 1.340 2.621 ( 1.394 1.165 -1.477) 2.341 3.174 ( 5.842 11.538 -3.276) 13.341 3.426 ( 2.620 0.315 -0.470) 2.681 3.673 ( 4.822 2.949 1.313) 5.803 3.767 ( 0.877 3.649 -0.281) 3.764 4.129 ( -4.636 -9.946 -0.682) 10.994 4.473 ( -4.038 3.225 2.262) 5.641 4.604 ( 0.255 -5.032 1.645) 5.300 4.771 ( 2.693 2.648 -4.911) 6.196 5.074 ( 11.481 13.032 -4.533) 17.950 5.469 ( 5.726 15.503 -0.911) 16.551 5.987 ( 0.781 -8.462 1.997) 8.729 6.043 ( -1.008 0.867 -1.278) 1.844 6.357 ( -2.725 -2.120 2.410) 4.210 6.449 ( -6.324 -7.425 -1.544) 9.874 9.892 ( -0.413 -0.075 1.244) 1.312 10.250 ( -4.483 -3.781 4.645) 7.481 ======================= Grid point 205 (78/189) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.577 -0.161 1.114) 1.265 1.357 ( -0.437 0.680 -1.175) 1.427 1.652 ( -5.107 0.500 4.605) 6.894 2.532 ( -1.498 -0.309 1.527) 2.162 2.653 ( 1.259 1.252 -1.278) 2.188 3.333 ( 2.919 6.100 -2.316) 7.148 3.401 ( 2.854 -5.988 -1.041) 6.715 3.816 ( 4.611 3.124 1.311) 5.722 3.836 ( 1.129 2.383 1.538) 3.053 3.970 ( -5.448 -1.347 -4.166) 6.989 4.367 ( -11.493 9.390 3.673) 15.289 4.685 ( 8.044 -1.637 1.243) 8.303 4.739 ( -2.175 -4.540 -2.558) 5.647 5.418 ( 14.422 11.923 -4.881) 19.338 5.618 ( -1.741 3.740 -3.184) 5.211 5.936 ( 2.158 -1.919 1.242) 3.144 6.076 ( 1.693 1.090 0.578) 2.096 6.223 ( -8.818 -6.945 2.864) 11.584 6.314 ( -0.476 -4.639 0.250) 4.670 9.896 ( 0.318 0.287 0.502) 0.660 10.157 ( -4.183 -2.670 3.087) 5.844 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -0.303 -0.043 0.633) 0.703 1.344 ( -1.251 0.815 -2.206) 2.663 1.564 ( -6.490 -1.484 5.293) 8.505 2.516 ( -0.487 0.002 1.027) 1.137 2.668 ( -0.160 0.547 -0.810) 0.990 3.357 ( 0.128 0.334 -2.326) 2.353 3.462 ( 5.812 -2.160 0.423) 6.215 3.725 ( -12.226 -0.343 -0.833) 12.259 3.842 ( -1.405 -1.868 0.692) 2.437 4.005 ( 4.155 5.448 -1.780) 7.079 4.370 ( -3.206 13.964 3.512) 14.751 4.614 ( -1.985 -11.144 -0.841) 11.351 4.803 ( 5.169 1.239 -0.475) 5.336 5.479 ( -12.832 0.875 -3.481) 13.325 5.719 ( 10.454 6.466 -2.629) 12.570 5.879 ( -15.403 -3.933 -1.093) 15.935 6.028 ( 6.379 -1.970 0.893) 6.736 6.210 ( 3.555 -1.687 3.995) 5.607 6.325 ( 6.941 -0.775 -0.056) 6.984 9.909 ( 0.812 0.308 -0.780) 1.168 10.084 ( -2.935 -1.949 3.394) 4.892 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -2.682 -0.159 -0.764) 2.794 1.320 ( -1.917 1.058 -1.437) 2.619 1.454 ( -6.297 -2.627 8.019) 10.529 2.523 ( 0.903 -0.174 0.443) 1.021 2.658 ( -1.026 0.231 -0.632) 1.227 3.295 ( -9.090 -1.901 -3.441) 9.904 3.422 ( -13.165 3.064 1.123) 13.563 3.626 ( 5.002 1.125 1.384) 5.311 3.773 ( -4.605 -1.036 -0.583) 4.755 4.143 ( 9.198 1.150 -0.163) 9.271 4.444 ( -2.911 -2.898 0.083) 4.109 4.541 ( 6.257 1.138 1.497) 6.533 4.874 ( 2.772 0.410 -1.403) 3.134 5.239 ( -16.292 3.869 -4.084) 17.237 5.471 ( -24.013 -2.976 0.914) 24.214 5.958 ( 9.163 2.420 -0.156) 9.479 6.107 ( 3.128 1.510 -2.308) 4.170 6.246 ( 2.818 -2.578 3.522) 5.195 6.493 ( 12.046 -1.126 -0.858) 12.128 9.916 ( 0.257 0.203 -3.423) 3.438 10.055 ( -0.099 -1.661 6.716) 6.919 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -5.688 0.602 0.763) 5.770 1.280 ( -4.301 0.112 2.526) 4.989 1.378 ( -2.778 -1.735 7.365) 8.061 2.536 ( 0.427 -0.559 0.458) 0.839 2.633 ( -2.776 1.279 -1.517) 3.412 2.979 ( -19.585 -4.042 -3.770) 20.350 3.251 ( -16.310 8.404 4.783) 18.961 3.654 ( -7.102 -0.176 -3.237) 7.807 3.795 ( 10.760 0.526 1.479) 10.874 4.335 ( 10.846 -2.973 2.005) 11.423 4.370 ( 5.295 -6.561 -0.970) 8.486 4.686 ( 3.158 5.002 -1.051) 6.008 4.878 ( -7.084 2.811 -3.698) 8.471 5.002 ( -13.203 4.167 -4.840) 14.666 5.055 ( -17.780 -2.875 5.169) 18.737 6.094 ( 5.000 0.885 0.577) 5.111 6.148 ( 0.034 3.154 -2.752) 4.186 6.274 ( 0.767 -0.923 3.412) 3.617 6.667 ( 11.720 -3.492 -3.913) 12.840 9.902 ( -0.050 -0.117 -4.034) 4.036 10.092 ( 2.926 -1.628 10.082) 10.623 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 -0.279 4.229) 4.238 1.255 ( -0.000 4.330 2.808) 5.161 1.697 ( -0.000 5.468 7.781) 9.510 2.519 ( -0.000 -0.888 3.093) 3.218 2.707 ( -0.000 -0.181 0.563) 0.592 2.724 ( -0.000 20.510 -10.316) 22.958 3.020 ( -0.000 17.634 7.169) 19.036 3.548 ( 0.000 3.225 -3.809) 4.992 3.869 ( 0.000 0.277 -0.995) 1.033 4.279 ( 0.000 -13.926 -1.597) 14.017 4.316 ( -0.000 21.631 -3.169) 21.862 4.495 ( 0.000 -14.164 2.075) 14.315 4.768 ( 0.000 -5.640 -0.610) 5.673 5.000 ( -0.000 -0.896 1.257) 1.543 5.164 ( -0.000 23.196 -1.589) 23.250 5.990 ( 0.000 -7.723 -0.179) 7.725 6.071 ( -0.000 2.462 -0.444) 2.502 6.442 ( -0.000 2.607 0.913) 2.762 6.667 ( 0.000 -4.644 -5.285) 7.036 9.927 ( -0.000 -2.040 2.255) 3.041 10.417 ( -0.000 -5.966 7.725) 9.760 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 0.334 -0.882 2.798) 2.952 1.310 ( 1.420 1.951 1.539) 2.862 1.759 ( -0.921 4.268 4.967) 6.613 2.528 ( 1.080 -0.734 2.787) 3.078 2.659 ( -3.255 1.405 -1.767) 3.961 2.953 ( 6.494 15.443 -6.779) 18.072 3.255 ( 5.021 15.218 6.058) 17.132 3.579 ( 2.327 1.781 -3.223) 4.356 3.806 ( -3.016 -5.632 0.169) 6.391 4.211 ( 7.296 -11.579 -1.055) 13.727 4.284 ( -6.342 -10.546 2.238) 12.508 4.604 ( 4.536 20.708 -4.351) 21.641 4.762 ( 4.252 -4.400 0.105) 6.119 4.951 ( -4.638 2.037 1.115) 5.187 5.393 ( 0.140 23.354 -2.090) 23.448 5.909 ( 1.101 -10.458 0.587) 10.532 6.094 ( 0.063 1.252 0.050) 1.255 6.447 ( -1.981 1.146 0.691) 2.391 6.580 ( -1.761 -7.309 -3.054) 8.115 9.913 ( -0.505 -1.070 1.546) 1.947 10.366 ( -2.006 -4.933 4.856) 7.207 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.837 -0.917 1.849) 2.228 1.345 ( 0.988 0.507 0.212) 1.130 1.775 ( -2.257 2.017 2.208) 3.747 2.561 ( 1.342 1.017 2.153) 2.733 2.617 ( -1.363 -0.365 -1.997) 2.445 3.168 ( 5.274 10.562 -3.741) 12.384 3.452 ( -0.023 6.672 1.195) 6.778 3.613 ( 3.791 -0.856 2.653) 4.705 3.777 ( 2.421 4.200 -1.593) 5.103 4.083 ( -3.889 -11.323 0.371) 11.978 4.283 ( 12.153 -8.620 0.422) 14.906 4.719 ( -3.491 0.159 0.172) 3.498 4.781 ( -1.446 3.781 -2.510) 4.763 5.052 ( 6.043 17.013 -0.279) 18.056 5.577 ( -0.083 14.815 -3.497) 15.222 5.850 ( 3.305 -9.209 3.002) 10.234 6.092 ( -1.516 1.403 0.339) 2.093 6.393 ( -3.634 -3.604 0.550) 5.148 6.458 ( -3.657 -6.045 -1.647) 7.255 9.902 ( -0.457 -0.349 0.905) 1.073 10.291 ( -3.285 -3.658 2.280) 5.419 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 1.042 -0.522 1.383) 1.808 1.358 ( 0.423 0.178 -0.909) 1.018 1.736 ( -3.689 -0.409 0.405) 3.734 2.562 ( -2.044 -0.093 0.304) 2.068 2.630 ( 2.607 0.845 -0.402) 2.770 3.295 ( 3.526 1.571 -0.058) 3.861 3.406 ( -4.398 1.842 -1.469) 4.990 3.758 ( 6.347 2.464 3.579) 7.692 3.856 ( 0.723 3.698 -0.592) 3.814 3.961 ( 0.449 -5.514 -1.774) 5.810 4.453 ( 14.032 -3.102 -0.585) 14.383 4.626 ( -7.679 2.994 2.039) 8.491 4.752 ( -3.646 -1.251 -1.495) 4.134 5.334 ( 8.565 13.091 -0.668) 15.658 5.660 ( 1.753 4.118 -5.044) 6.743 5.847 ( 2.055 -5.806 5.858) 8.500 6.102 ( -0.232 4.505 0.079) 4.512 6.275 ( -2.615 -7.366 -1.221) 7.911 6.326 ( -7.318 -2.504 0.176) 7.736 9.897 ( -0.093 -0.092 0.438) 0.457 10.205 ( -3.760 -2.475 0.478) 4.527 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.716 -0.257 1.104) 1.341 1.357 ( -0.287 0.243 -1.611) 1.655 1.652 ( -4.770 -2.241 0.482) 5.292 2.527 ( -1.344 -0.820 0.029) 1.574 2.670 ( 0.934 0.582 -0.045) 1.102 3.335 ( 2.154 0.778 -0.239) 2.303 3.399 ( 0.796 1.258 0.414) 1.545 3.824 ( 1.340 -1.630 0.314) 2.134 3.846 ( -2.809 -0.711 -0.291) 2.913 3.993 ( 2.519 2.827 -0.469) 3.816 4.518 ( -6.197 -4.477 1.863) 7.869 4.623 ( -0.420 1.213 -2.970) 3.235 4.685 ( 4.605 1.937 1.430) 5.196 5.573 ( 10.336 1.660 2.075) 10.672 5.653 ( -5.855 4.624 -4.435) 8.679 5.896 ( 7.604 -1.821 5.257) 9.422 6.085 ( -7.797 -0.338 -5.172) 9.362 6.173 ( -3.934 -4.342 2.604) 6.411 6.238 ( 2.385 1.824 -0.370) 3.025 9.899 ( 0.364 -0.111 0.023) 0.381 10.125 ( -3.360 -1.695 -0.018) 3.764 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.622 -0.434 0.165) 0.776 1.345 ( -0.819 0.356 -1.186) 1.485 1.545 ( -5.206 -3.236 2.706) 6.701 2.506 ( -0.018 -1.189 0.049) 1.190 2.676 ( -0.432 0.511 -0.094) 0.676 3.381 ( -2.233 2.044 -0.233) 3.036 3.449 ( 5.479 2.137 -1.014) 5.968 3.743 ( -8.160 1.075 1.663) 8.397 3.827 ( -2.035 0.706 -0.771) 2.287 4.038 ( 2.875 -1.657 0.710) 3.394 4.322 ( -2.429 -16.418 -0.967) 16.625 4.633 ( -2.574 9.422 1.262) 9.848 4.800 ( 4.995 -0.922 -0.847) 5.149 5.501 ( -11.221 2.191 -0.800) 11.461 5.790 ( 6.516 3.040 -2.066) 7.482 5.849 ( -14.551 0.807 1.811) 14.686 6.053 ( 6.808 3.403 1.825) 7.826 6.143 ( 5.488 -5.716 -1.194) 8.013 6.323 ( 5.302 0.268 -0.338) 5.319 9.904 ( 0.362 -0.049 -1.096) 1.156 10.067 ( -1.655 -1.547 1.793) 2.889 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -2.317 -0.430 -0.414) 2.393 1.331 ( -1.245 0.334 0.193) 1.303 1.444 ( -4.396 -3.065 5.792) 7.891 2.506 ( 1.445 -1.473 0.852) 2.232 2.676 ( -0.848 1.903 -0.597) 2.168 3.241 ( -14.733 0.144 -3.722) 15.197 3.572 ( -4.655 9.685 -0.484) 10.756 3.646 ( 1.678 -1.346 5.713) 6.104 3.750 ( -6.274 -0.214 -2.802) 6.874 4.118 ( 10.076 -4.604 2.269) 11.308 4.177 ( 4.581 -14.298 -1.693) 15.109 4.708 ( 1.416 6.457 -0.125) 6.612 4.825 ( 1.993 -4.427 -0.866) 4.932 5.314 ( -15.168 5.723 0.040) 16.211 5.510 ( -25.030 7.577 -2.769) 26.298 5.973 ( 9.181 -1.157 0.706) 9.280 6.162 ( 1.892 4.759 -2.331) 5.627 6.230 ( 6.501 -1.839 3.909) 7.806 6.416 ( 9.621 -5.205 -2.080) 11.134 9.897 ( -0.527 0.108 -2.831) 2.882 10.062 ( 1.612 -1.895 5.873) 6.378 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -0.000 -1.321 1.970) 2.372 1.320 ( -0.000 1.414 0.663) 1.561 1.811 ( -0.000 2.755 1.023) 2.939 2.522 ( -0.000 -0.467 2.952) 2.988 2.676 ( 0.000 -2.334 -0.889) 2.498 3.031 ( -0.000 16.315 -6.148) 17.435 3.382 ( -0.000 14.225 6.049) 15.458 3.560 ( 0.000 1.779 -3.152) 3.619 3.792 ( 0.000 -5.245 1.934) 5.591 4.007 ( 0.000 -12.431 -2.360) 12.653 4.247 ( 0.000 -11.996 1.536) 12.093 4.680 ( 0.000 -1.589 0.843) 1.799 4.749 ( -0.000 14.378 -2.612) 14.613 5.040 ( -0.000 9.549 1.570) 9.677 5.598 ( -0.000 17.495 -3.978) 17.942 5.795 ( 0.000 -9.531 2.506) 9.855 6.106 ( -0.000 1.236 0.344) 1.283 6.478 ( -0.000 1.047 -0.315) 1.093 6.503 ( 0.000 -9.688 -1.636) 9.825 9.912 ( -0.000 -0.742 0.913) 1.177 10.350 ( 0.000 -4.119 2.069) 4.609 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 0.582 -0.999 1.654) 2.018 1.334 ( 0.602 0.250 -0.471) 0.804 1.815 ( -1.107 0.437 -2.495) 2.765 2.540 ( 1.793 -0.411 1.302) 2.254 2.636 ( -1.859 -0.912 -0.613) 2.160 3.192 ( 3.484 11.059 -2.631) 11.890 3.517 ( 0.992 6.243 3.244) 7.105 3.575 ( -0.438 -1.252 1.081) 1.711 3.759 ( 2.540 2.133 -0.059) 3.317 3.995 ( 9.874 -8.062 -1.566) 12.843 4.085 ( -6.103 -8.569 0.981) 10.565 4.701 ( 3.013 -1.607 0.261) 3.425 4.822 ( -0.592 2.919 -1.478) 3.325 5.194 ( 0.540 18.946 2.142) 19.074 5.596 ( 0.692 -10.606 -2.204) 10.855 5.834 ( -0.530 10.205 1.705) 10.360 6.117 ( -0.050 1.005 0.723) 1.239 6.381 ( -2.503 -8.629 -0.834) 9.023 6.470 ( -1.649 -0.161 -1.030) 1.951 9.906 ( -0.252 -0.422 0.387) 0.625 10.304 ( -1.687 -2.901 -0.596) 3.408 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 1.060 -0.605 1.586) 2.001 1.342 ( 0.823 -0.322 -1.314) 1.583 1.768 ( -2.184 -1.941 -4.695) 5.530 2.565 ( 1.682 -2.253 -2.296) 3.630 2.614 ( -0.689 1.993 1.983) 2.895 3.291 ( 0.322 2.437 1.147) 2.713 3.497 ( -3.790 1.876 0.074) 4.230 3.645 ( 7.649 -4.503 3.834) 9.669 3.864 ( 4.590 3.059 -1.023) 5.609 3.924 ( -5.017 -1.666 -0.652) 5.326 4.171 ( 15.022 -0.298 -1.294) 15.080 4.715 ( -1.538 -0.057 0.897) 1.781 4.808 ( -2.436 0.907 -0.651) 2.680 5.346 ( 2.463 0.363 2.965) 3.872 5.573 ( 5.305 2.818 -1.156) 6.118 5.860 ( -2.531 -1.596 2.445) 3.864 6.126 ( -0.226 -0.929 -0.131) 0.965 6.279 ( -3.232 0.730 -0.906) 3.435 6.414 ( -4.494 -0.059 -1.336) 4.689 9.899 ( -0.234 -0.330 0.170) 0.439 10.237 ( -2.825 -1.680 -2.646) 4.220 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 1.187 -0.587 1.488) 1.992 1.347 ( 0.687 -0.334 -1.729) 1.890 1.680 ( -2.858 -3.682 -5.033) 6.860 2.542 ( -1.101 -0.944 -1.413) 2.025 2.648 ( 1.681 0.269 1.115) 2.035 3.313 ( 1.878 0.499 1.725) 2.599 3.447 ( -4.218 0.783 2.071) 4.764 3.716 ( 7.367 -6.293 -0.599) 9.707 3.854 ( -0.965 -3.021 -0.516) 3.214 3.984 ( 2.574 6.412 0.608) 6.936 4.434 ( 14.235 2.554 -2.355) 14.653 4.604 ( -9.737 -5.075 -0.198) 10.982 4.783 ( -2.451 3.587 1.478) 4.589 5.388 ( 9.279 -9.710 4.445) 14.147 5.741 ( 1.310 10.005 -4.047) 10.872 5.784 ( 3.018 -8.628 6.795) 11.390 6.076 ( -1.532 -2.793 -2.430) 4.007 6.273 ( -3.195 3.753 -1.999) 5.319 6.321 ( -6.956 4.649 0.172) 8.368 9.894 ( 0.028 -0.422 0.350) 0.549 10.163 ( -3.268 -0.825 -3.651) 4.969 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 0.581 -0.968 0.930) 1.463 1.346 ( 0.172 -0.273 -1.339) 1.377 1.575 ( -3.000 -4.573 -3.304) 6.390 2.509 ( -1.429 -0.475 -0.651) 1.641 2.672 ( 1.059 -0.278 0.592) 1.245 3.373 ( 3.886 -2.568 1.346) 4.848 3.435 ( 0.135 5.627 1.876) 5.933 3.766 ( 4.105 -3.834 -2.970) 6.354 3.821 ( 1.375 -2.363 0.419) 2.766 4.035 ( -2.233 1.775 1.360) 3.160 4.321 ( -13.320 -10.438 -0.717) 16.938 4.648 ( 8.446 2.138 -1.806) 8.897 4.788 ( -2.655 3.932 1.753) 5.058 5.487 ( 9.788 -8.442 2.009) 13.081 5.737 ( 3.726 -2.922 7.053) 8.495 5.883 ( 3.865 -0.782 -3.558) 5.311 6.066 ( 2.213 3.312 -0.814) 4.065 6.152 ( -11.844 4.316 -2.888) 12.932 6.319 ( -1.855 4.257 0.470) 4.668 9.895 ( 0.364 -0.446 0.672) 0.885 10.092 ( -2.778 -0.572 -3.104) 4.205 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -0.732 -1.268 0.000) 1.464 1.342 ( -0.122 -0.211 -0.000) 0.244 1.478 ( -2.494 -4.320 -0.000) 4.988 2.485 ( -0.459 -0.795 0.000) 0.919 2.692 ( 0.730 1.265 -0.000) 1.461 3.414 ( 0.438 0.759 0.000) 0.877 3.490 ( 0.652 1.129 -0.000) 1.303 3.813 ( 2.940 5.093 -0.000) 5.881 3.835 ( -0.542 -0.939 0.000) 1.085 3.970 ( -2.342 -4.056 0.000) 4.683 4.004 ( -7.741 -13.407 -0.000) 15.481 4.746 ( 1.518 2.630 -0.000) 3.037 4.766 ( -1.389 -2.405 0.000) 2.777 5.526 ( -0.407 -0.705 -0.000) 0.814 5.837 ( 2.045 3.543 0.000) 4.091 5.945 ( 0.251 0.434 0.000) 0.501 5.965 ( -1.635 -2.831 -0.000) 3.270 6.168 ( 3.018 5.227 -0.000) 6.036 6.325 ( 0.043 0.075 0.000) 0.087 9.898 ( -0.037 -0.064 -0.000) 0.074 10.047 ( -0.631 -1.092 -0.000) 1.261 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -0.000 -0.673 1.556) 1.696 1.325 ( 0.000 -0.539 -1.442) 1.540 1.804 ( 0.000 -1.652 -6.711) 6.911 2.512 ( 0.000 -2.004 -0.791) 2.154 2.654 ( -0.000 0.980 1.059) 1.443 3.236 ( -0.000 4.466 1.883) 4.847 3.541 ( 0.000 -5.349 -0.437) 5.367 3.596 ( -0.000 2.553 0.953) 2.725 3.737 ( -0.000 -1.408 2.144) 2.565 3.853 ( -0.000 2.352 0.034) 2.352 4.104 ( 0.000 -0.875 -0.539) 1.028 4.653 ( 0.000 -0.444 -0.407) 0.603 4.847 ( -0.000 1.478 -0.278) 1.503 5.323 ( -0.000 -2.788 2.472) 3.726 5.497 ( -0.000 3.359 0.644) 3.420 5.916 ( -0.000 -0.097 0.572) 0.580 6.123 ( -0.000 0.014 1.126) 1.126 6.349 ( 0.000 0.461 -1.032) 1.131 6.481 ( 0.000 -0.105 -1.529) 1.533 9.905 ( 0.000 -0.371 0.001) 0.371 10.288 ( 0.000 -1.706 -3.475) 3.871 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 0.619 -0.629 1.450) 1.697 1.316 ( 0.770 -1.178 -2.107) 2.534 1.742 ( -0.903 -3.738 -9.336) 10.097 2.504 ( 1.762 -1.628 -1.903) 3.062 2.659 ( -1.401 1.688 1.475) 2.643 3.282 ( 2.447 -4.454 6.076) 7.921 3.452 ( 3.703 -11.198 -3.311) 12.250 3.596 ( -3.111 2.329 3.071) 4.953 3.779 ( 4.006 -1.731 1.531) 4.625 3.994 ( 7.429 7.718 -1.836) 10.869 4.069 ( -5.186 8.082 -0.290) 9.607 4.700 ( 3.783 1.558 0.030) 4.091 4.847 ( -1.255 0.682 0.548) 1.530 5.190 ( 1.767 -20.289 2.223) 20.487 5.645 ( 1.091 16.366 2.361) 16.571 5.819 ( -1.391 -15.369 0.622) 15.444 6.122 ( -0.479 -0.885 1.116) 1.503 6.383 ( -2.856 9.118 -0.984) 9.605 6.462 ( -1.337 1.075 -1.771) 2.465 9.900 ( -0.192 -0.330 -0.013) 0.382 10.249 ( -1.506 -0.474 -5.844) 6.054 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.143 -1.283 1.190) 2.090 1.317 ( 1.412 -1.072 -2.213) 2.836 1.646 ( -1.349 -5.208 -10.001) 11.356 2.521 ( 1.753 -0.327 -1.660) 2.437 2.651 ( -1.080 0.242 1.429) 1.808 3.265 ( 2.110 -7.222 5.136) 9.110 3.435 ( 7.089 -14.870 -0.382) 16.478 3.592 ( -1.752 6.367 0.516) 6.624 3.800 ( 1.651 -4.845 0.512) 5.144 4.069 ( -1.961 11.592 -0.647) 11.774 4.260 ( 10.823 8.152 -1.672) 13.652 4.724 ( -6.184 -0.071 0.276) 6.191 4.823 ( -0.634 0.657 1.206) 1.513 5.102 ( 10.126 -17.453 4.959) 20.779 5.626 ( 0.213 -20.451 0.293) 20.455 5.824 ( 1.850 13.528 1.549) 13.742 6.098 ( -1.837 -0.239 0.970) 2.091 6.359 ( -4.284 1.368 -2.993) 5.402 6.480 ( -3.803 9.498 0.375) 10.238 9.893 ( -0.220 -0.380 0.511) 0.674 10.192 ( -2.595 0.402 -7.250) 7.710 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.440 -2.053 0.885) 2.660 1.325 ( 1.250 -0.791 -1.745) 2.288 1.538 ( -1.227 -5.827 -8.705) 10.547 2.529 ( -0.724 0.490 -0.847) 1.217 2.649 ( 0.989 -0.861 1.165) 1.754 3.255 ( 4.030 -10.625 4.439) 12.199 3.430 ( 7.089 -5.277 -0.357) 8.844 3.643 ( 1.405 2.799 -1.907) 3.666 3.768 ( 0.558 -4.811 0.413) 4.861 4.141 ( -3.253 9.115 0.373) 9.685 4.446 ( -2.959 -4.235 -0.497) 5.190 4.560 ( -1.224 5.633 -2.348) 6.224 4.853 ( -0.163 1.865 2.889) 3.442 5.187 ( 13.577 -12.740 6.021) 19.568 5.478 ( 7.095 -20.361 -0.387) 21.565 5.959 ( -0.653 9.582 -0.482) 9.616 6.082 ( -0.295 2.135 2.568) 3.353 6.287 ( -3.957 1.391 -4.334) 6.031 6.482 ( -7.262 8.842 1.495) 11.540 9.890 ( 0.033 -0.476 1.613) 1.682 10.126 ( -3.028 0.727 -7.362) 7.994 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( -0.000 -1.100 0.955) 1.457 1.283 ( 0.000 -2.379 -2.761) 3.644 1.669 ( 0.000 -5.272 -12.244) 13.331 2.475 ( 0.000 -0.043 -1.475) 1.476 2.692 ( -0.000 1.161 0.832) 1.428 3.185 ( 0.000 -12.925 7.866) 15.130 3.270 ( 0.000 -15.965 -4.155) 16.496 3.642 ( -0.000 -0.545 4.462) 4.495 3.783 ( -0.000 5.198 0.783) 5.257 4.017 ( -0.000 12.187 -1.709) 12.306 4.228 ( -0.000 11.579 -0.006) 11.579 4.667 ( -0.000 2.050 -0.499) 2.110 4.833 ( 0.000 -9.680 5.020) 10.904 5.005 ( 0.000 -12.514 -1.132) 12.566 5.637 ( 0.000 -22.218 -1.428) 22.264 5.801 ( -0.000 13.723 4.405) 14.412 6.122 ( -0.000 -1.205 1.862) 2.218 6.454 ( 0.000 -1.244 -2.613) 2.894 6.529 ( -0.000 12.827 0.328) 12.831 9.899 ( -0.000 -0.128 0.111) 0.169 10.240 ( 0.000 0.757 -8.631) 8.664 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.505 -2.819 -0.094) 2.866 1.263 ( 1.863 -2.605 -2.652) 4.158 1.567 ( -0.487 -5.933 -12.842) 14.154 2.490 ( 1.480 1.083 -0.772) 1.990 2.680 ( -1.825 -0.665 0.521) 2.011 3.110 ( 7.234 -18.623 2.606) 20.148 3.145 ( 3.397 -14.058 0.941) 14.494 3.650 ( 0.856 -1.849 3.552) 4.095 3.812 ( -3.198 5.824 0.268) 6.649 4.182 ( 3.989 11.864 -3.176) 12.914 4.284 ( -4.001 11.708 1.532) 12.467 4.732 ( 5.857 -20.700 8.268) 23.047 4.773 ( 5.881 5.057 1.065) 7.829 4.909 ( -4.600 -0.679 -2.979) 5.522 5.398 ( -0.006 -24.669 -2.103) 24.759 5.935 ( 0.335 10.458 3.631) 11.075 6.114 ( -0.124 -1.223 2.007) 2.353 6.407 ( -2.601 -1.474 -3.276) 4.435 6.636 ( -2.053 11.391 1.760) 11.708 9.898 ( -0.274 0.074 0.735) 0.788 10.207 ( -1.439 1.624 -10.499) 10.721 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 2.029 -4.562 -0.995) 5.091 1.272 ( 2.673 -2.256 -2.356) 4.217 1.461 ( -0.612 -5.571 -11.158) 12.486 2.527 ( 1.433 0.924 -0.339) 1.739 2.637 ( -0.939 -2.683 1.437) 3.185 3.056 ( 5.453 -18.867 5.483) 20.390 3.136 ( 11.835 -12.243 -4.376) 17.581 3.653 ( 2.116 -4.835 2.893) 6.018 3.801 ( -4.987 7.433 -1.296) 9.045 4.299 ( -1.141 10.924 0.377) 10.990 4.392 ( 3.182 5.063 -0.427) 5.995 4.699 ( -0.819 -2.489 1.953) 3.268 4.779 ( 2.356 -9.031 5.148) 10.659 4.949 ( 4.925 2.099 1.815) 5.653 5.174 ( 2.725 -22.619 -3.657) 23.074 6.039 ( 0.853 6.997 1.988) 7.324 6.111 ( -0.172 0.060 2.387) 2.393 6.330 ( -3.010 -1.174 -4.098) 5.219 6.686 ( -5.135 9.587 3.084) 11.304 9.897 ( -0.384 0.073 2.048) 2.085 10.156 ( -2.494 1.924 -11.021) 11.463 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 0.000 -5.395 -2.555) 5.969 1.195 ( 0.000 -4.912 -2.831) 5.670 1.475 ( 0.000 -5.072 -12.197) 13.210 2.489 ( -0.000 1.018 0.331) 1.071 2.691 ( 0.000 -1.351 -0.837) 1.590 2.827 ( 0.000 -21.268 -5.462) 21.959 2.988 ( 0.000 -16.810 8.844) 18.995 3.607 ( 0.000 -6.743 1.882) 7.001 3.910 ( -0.000 5.714 2.319) 6.167 4.268 ( -0.000 14.772 -2.896) 15.053 4.437 ( 0.000 -23.440 9.229) 25.192 4.484 ( -0.000 13.714 1.284) 13.774 4.789 ( -0.000 6.425 1.243) 6.545 4.948 ( 0.000 -0.916 -3.981) 4.085 5.157 ( 0.000 -21.412 -2.540) 21.562 6.028 ( -0.000 6.499 3.750) 7.503 6.100 ( -0.000 -2.556 2.414) 3.515 6.397 ( 0.000 -2.678 -3.394) 4.323 6.770 ( -0.000 10.349 3.626) 10.966 9.907 ( -0.000 0.678 1.180) 1.361 10.201 ( 0.000 2.509 -12.930) 13.171 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.317 -8.579 -5.208) 10.122 1.169 ( 3.752 -5.710 -2.948) 7.441 1.393 ( -0.565 -3.684 -8.746) 9.507 2.503 ( 1.368 -1.388 0.674) 2.062 2.614 ( -0.282 -10.294 -0.342) 10.304 2.721 ( 8.446 -14.680 -4.362) 17.489 2.885 ( 3.832 -15.930 5.930) 17.424 3.535 ( 2.504 -12.081 0.638) 12.354 3.954 ( -2.089 6.329 2.178) 7.012 4.264 ( 2.798 -11.320 7.701) 13.975 4.464 ( 5.002 5.706 -0.415) 7.599 4.580 ( -3.289 10.423 0.876) 10.965 4.812 ( -0.579 -10.184 -4.423) 11.118 4.943 ( 2.997 7.179 0.957) 7.838 4.999 ( -3.165 -5.630 -0.984) 6.533 6.082 ( 0.394 1.459 3.120) 3.466 6.097 ( 1.388 -1.038 1.899) 2.571 6.338 ( -1.892 -3.145 -3.712) 5.220 6.855 ( -2.665 8.681 5.376) 10.553 9.917 ( -0.481 0.967 2.105) 2.366 10.171 ( -1.405 2.803 -13.889) 14.239 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 0.000 -11.913 -8.959) 14.906 1.047 ( 0.000 -9.106 -1.459) 9.222 1.341 ( 0.000 -3.803 -5.602) 6.771 2.354 ( 0.000 -22.580 -7.428) 23.770 2.454 ( 0.000 -7.790 2.255) 8.109 2.629 ( 0.000 -4.151 -1.923) 4.575 2.713 ( 0.000 -16.979 8.505) 18.990 3.361 ( 0.000 -16.851 -0.807) 16.871 3.921 ( 0.000 -16.395 10.032) 19.221 4.197 ( -0.000 0.601 0.479) 0.768 4.536 ( -0.000 14.551 -2.999) 14.857 4.657 ( 0.000 -10.796 -3.733) 11.423 4.766 ( -0.000 13.982 2.302) 14.170 4.992 ( -0.000 7.167 -0.849) 7.217 5.041 ( -0.000 4.308 1.208) 4.474 6.051 ( 0.000 -4.167 2.431) 4.824 6.099 ( -0.000 -0.986 2.164) 2.378 6.306 ( 0.000 -4.325 -3.556) 5.599 6.976 ( -0.000 7.161 7.531) 10.393 9.942 ( -0.000 1.664 1.801) 2.452 10.164 ( 0.000 3.160 -15.132) 15.458 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( -0.000 -0.000 14.805) 14.805 0.281 ( -0.000 -0.000 14.805) 14.805 0.877 ( -0.000 -0.000 41.579) 41.579 1.342 ( 0.000 0.000 -5.500) 5.500 1.342 ( 0.000 0.000 -5.500) 5.500 2.210 ( 0.000 -0.000 0.610) 0.610 2.210 ( -0.000 -0.000 0.610) 0.610 3.091 ( 0.000 0.000 -1.303) 1.303 3.159 ( -0.000 -0.000 0.217) 0.217 4.594 ( -0.000 -0.000 0.003) 0.003 4.971 ( 0.000 0.000 -8.379) 8.379 5.081 ( 0.000 0.000 -0.373) 0.373 5.081 ( 0.000 -0.000 -0.373) 0.373 5.383 ( -0.000 0.000 0.745) 0.745 5.383 ( -0.000 0.000 0.745) 0.745 5.835 ( -0.000 -0.000 0.212) 0.212 5.835 ( -0.000 -0.000 0.212) 0.212 6.002 ( -0.000 -0.000 1.096) 1.096 6.002 ( -0.000 -0.000 1.096) 1.096 10.216 ( -0.000 -0.000 3.436) 3.436 11.085 ( 0.000 0.000 -0.125) 0.125 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 16.167 9.334 11.514) 21.933 0.688 ( 20.319 11.731 8.715) 25.029 1.098 ( 7.950 4.590 32.817) 34.077 1.363 ( 8.029 4.635 -9.091) 12.984 1.675 ( 23.621 13.637 -2.972) 27.436 2.254 ( 5.701 3.292 -0.681) 6.619 2.323 ( 7.937 4.582 1.249) 9.250 3.102 ( -1.183 -0.683 1.430) 1.977 3.172 ( 5.783 3.339 -1.554) 6.856 4.491 ( -7.052 -4.072 0.078) 8.143 4.781 ( -7.606 -4.391 -0.098) 8.783 4.961 ( -8.253 -4.765 -0.588) 9.548 5.131 ( -2.102 -1.214 1.103) 2.667 5.309 ( -1.840 -1.062 -3.937) 4.473 5.331 ( -7.158 -4.132 1.371) 8.378 5.887 ( 4.279 2.470 0.038) 4.941 5.890 ( 5.119 2.955 -0.265) 5.917 6.045 ( 4.136 2.388 0.889) 4.857 6.384 ( 20.463 11.815 -18.815) 30.205 10.171 ( -4.888 -2.822 4.218) 7.047 10.823 ( -16.572 -9.568 17.165) 25.706 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 10.036 5.794 8.488) 14.365 1.044 ( 9.218 5.322 14.418) 17.921 1.359 ( 5.796 3.346 16.101) 17.437 1.630 ( 17.818 10.287 -8.408) 22.226 2.212 ( 21.269 12.280 -0.861) 24.575 2.453 ( 10.756 6.210 1.456) 12.505 2.569 ( 13.399 7.736 0.988) 15.504 3.118 ( 3.608 2.083 0.999) 4.284 3.422 ( 18.079 10.438 -6.746) 21.938 4.330 ( -7.175 -4.143 0.790) 8.323 4.654 ( -3.378 -1.950 -0.683) 3.960 4.734 ( -11.575 -6.683 -0.276) 13.368 5.033 ( -5.429 -3.134 1.508) 6.448 5.119 ( -11.345 -6.550 1.042) 13.141 5.233 ( -4.638 -2.677 -3.688) 6.502 5.999 ( 5.244 3.028 -0.940) 6.128 6.030 ( 6.529 3.769 -0.786) 7.580 6.152 ( 4.511 2.604 1.878) 5.536 6.641 ( 8.626 4.980 -17.747) 20.351 10.052 ( -6.259 -3.613 4.767) 8.657 10.588 ( -10.335 -5.967 18.093) 21.674 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 4.373 2.525 5.110) 7.184 1.239 ( 4.660 2.691 11.886) 13.047 1.454 ( 0.078 0.045 9.376) 9.377 2.060 ( 21.603 12.472 -5.167) 25.474 2.530 ( 7.834 4.523 0.916) 9.093 2.639 ( 3.590 2.073 2.369) 4.775 2.908 ( 16.169 9.335 0.196) 18.672 3.298 ( 10.972 6.335 -1.744) 12.789 3.911 ( 25.527 14.738 -11.494) 31.638 4.188 ( -4.673 -2.698 1.666) 5.647 4.454 ( -13.220 -7.633 0.247) 15.267 4.671 ( 6.175 3.565 1.657) 7.320 4.852 ( -12.467 -7.198 0.627) 14.409 4.925 ( -4.266 -2.463 -0.229) 4.932 5.087 ( -6.961 -4.019 -1.091) 8.111 6.101 ( 4.170 2.408 -2.404) 5.382 6.136 ( 2.678 1.546 -1.999) 3.683 6.249 ( 3.259 1.881 3.320) 5.018 6.690 ( 0.366 0.211 -10.216) 10.225 9.946 ( -4.219 -2.436 3.784) 6.168 10.441 ( -7.927 -4.577 13.742) 16.511 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 1.700 0.981 3.481) 3.996 1.330 ( 1.084 0.626 4.403) 4.577 1.473 ( -0.559 -0.323 9.957) 9.978 2.530 ( 21.160 12.217 -3.169) 24.638 2.608 ( -1.254 -0.724 1.743) 2.266 2.677 ( 1.453 0.839 0.221) 1.693 3.272 ( 16.088 9.288 -0.961) 18.601 3.488 ( 6.150 3.551 -3.739) 8.026 4.016 ( -5.433 -3.137 0.036) 6.274 4.150 ( -14.043 -8.108 1.320) 16.269 4.513 ( 23.546 13.594 -11.854) 29.661 4.570 ( -12.753 -7.363 0.142) 14.727 4.804 ( -4.728 -2.730 -0.877) 5.529 4.964 ( 5.572 3.217 1.868) 6.700 4.999 ( 11.707 6.759 4.227) 14.164 6.117 ( -3.676 -2.123 -4.541) 6.216 6.168 ( 2.656 1.534 -3.494) 4.649 6.319 ( 1.893 1.093 4.334) 4.854 6.607 ( -5.705 -3.294 -2.550) 7.064 9.890 ( -1.785 -1.031 2.589) 3.310 10.314 ( -7.005 -4.044 10.045) 12.897 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 0.274 0.158 2.768) 2.786 1.337 ( -0.368 -0.212 -0.948) 1.038 1.491 ( -1.273 -0.735 10.551) 10.653 2.543 ( -3.928 -2.268 2.149) 5.019 2.707 ( 1.296 0.749 -2.335) 2.774 2.974 ( 19.044 10.995 -2.437) 22.125 3.581 ( 4.154 2.398 -3.945) 6.211 3.605 ( 13.534 7.814 -3.516) 16.019 3.839 ( -14.023 -8.096 4.155) 16.717 3.897 ( -4.856 -2.804 -0.262) 5.613 4.287 ( -12.371 -7.142 -0.090) 14.285 4.681 ( -4.816 -2.780 0.985) 5.647 4.776 ( 3.267 1.886 -1.544) 4.076 5.201 ( 19.268 11.124 -8.785) 23.920 5.457 ( 19.598 11.315 4.206) 23.017 5.949 ( -8.802 -5.082 -6.159) 11.884 6.199 ( 1.246 0.719 -3.870) 4.129 6.363 ( 0.759 0.438 4.607) 4.689 6.421 ( -10.888 -6.286 3.631) 13.087 9.880 ( 0.093 0.054 1.604) 1.608 10.196 ( -5.944 -3.432 7.505) 10.171 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -0.772 -0.445 2.388) 2.549 1.320 ( -0.570 -0.329 -3.517) 3.578 1.473 ( -3.472 -2.005 10.564) 11.299 2.477 ( -1.995 -1.152 0.932) 2.485 2.719 ( 0.552 0.319 -2.605) 2.682 3.341 ( 13.015 7.514 -4.319) 15.636 3.499 ( -14.714 -8.495 2.553) 17.181 3.668 ( 4.789 2.765 -3.850) 6.738 3.803 ( -3.280 -1.893 -0.041) 3.787 3.863 ( 4.240 2.448 -0.584) 4.930 4.076 ( -1.729 -0.998 0.995) 2.231 4.620 ( -0.708 -0.409 1.398) 1.619 4.818 ( 1.618 0.934 1.403) 2.336 5.508 ( -9.500 -5.485 -2.958) 11.361 5.604 ( 10.375 5.990 -13.740) 18.229 5.933 ( 2.928 1.691 -0.087) 3.382 6.200 ( 0.059 0.034 -3.824) 3.825 6.216 ( -1.684 -0.972 9.520) 9.717 6.384 ( -0.192 -0.111 4.494) 4.500 9.899 ( 1.267 0.732 0.303) 1.494 10.102 ( -4.420 -2.552 6.606) 8.348 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.985 -1.146 2.115) 3.119 1.273 ( -3.064 -1.769 -4.036) 5.367 1.416 ( -4.136 -2.388 10.691) 11.710 2.469 ( 1.138 0.657 -0.822) 1.550 2.713 ( -0.611 -0.353 -1.231) 1.419 3.143 ( -17.147 -9.900 5.387) 20.520 3.398 ( -8.093 -4.672 -9.858) 13.583 3.708 ( -1.892 -1.092 -1.345) 2.566 3.808 ( 5.032 2.906 -1.787) 6.080 3.944 ( 9.394 5.423 5.100) 11.986 4.247 ( 11.315 6.533 -1.605) 13.164 4.660 ( 3.811 2.200 0.172) 4.404 4.864 ( 1.635 0.944 2.058) 2.793 5.081 ( -20.615 -11.902 -8.993) 25.446 5.565 ( -19.035 -10.990 5.250) 22.598 5.935 ( 8.657 4.998 -7.869) 12.721 6.177 ( -1.078 -0.623 -3.596) 3.805 6.384 ( -1.125 -0.649 4.304) 4.495 6.485 ( 14.458 8.347 5.032) 17.436 9.929 ( 1.391 0.803 -2.749) 3.184 10.051 ( -2.087 -1.205 8.877) 9.199 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -7.958 -4.594 1.534) 9.316 1.171 ( -4.038 -2.332 1.814) 5.003 1.376 ( -2.264 -1.307 7.113) 7.578 2.501 ( 1.288 0.744 -1.948) 2.451 2.683 ( -1.904 -1.099 0.637) 2.289 2.760 ( -18.793 -10.850 7.282) 22.889 3.083 ( -14.936 -8.623 -9.665) 19.770 3.617 ( -6.967 -4.023 -0.036) 8.045 3.932 ( 5.893 3.402 -2.191) 7.148 4.233 ( 13.236 7.642 4.101) 15.824 4.503 ( 11.973 6.912 -2.379) 14.028 4.540 ( -20.193 -11.659 -11.580) 26.035 4.800 ( 5.397 3.116 -0.912) 6.298 4.903 ( -2.224 -1.284 5.158) 5.762 5.122 ( -16.609 -9.589 4.430) 19.684 6.072 ( 4.505 2.601 -4.932) 7.168 6.127 ( -2.342 -1.352 -3.153) 4.154 6.360 ( -2.260 -1.305 4.023) 4.795 6.787 ( 11.239 6.489 0.371) 12.983 9.935 ( 0.494 0.285 -4.482) 4.518 10.076 ( 1.058 0.611 12.011) 12.073 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.000 16.480 8.194) 18.405 0.771 ( -0.000 19.056 13.631) 23.429 1.208 ( -0.000 7.557 25.857) 26.939 1.506 ( -0.000 25.083 -2.469) 25.204 1.538 ( -0.000 17.753 -5.479) 18.579 2.231 ( -0.000 4.041 0.738) 4.108 2.337 ( -0.000 9.673 0.427) 9.683 3.118 ( -0.000 0.454 0.796) 0.916 3.156 ( -0.000 4.664 -1.683) 4.958 4.500 ( 0.000 -7.201 0.398) 7.212 4.768 ( 0.000 -10.775 -2.894) 11.157 5.022 ( 0.000 -7.383 -0.257) 7.387 5.064 ( 0.000 -0.247 0.033) 0.249 5.244 ( 0.000 -10.329 0.630) 10.348 5.336 ( 0.000 -6.993 -0.450) 7.007 5.863 ( -0.000 3.029 -0.204) 3.036 5.919 ( -0.000 6.548 0.638) 6.579 6.112 ( -0.000 7.109 1.736) 7.318 6.313 ( 0.000 23.382 -16.317) 28.513 10.187 ( -0.000 -5.352 4.668) 7.102 10.875 ( -0.000 -16.223 12.588) 20.534 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 13.455 10.606 7.859) 18.849 1.016 ( 5.690 9.442 13.158) 17.166 1.360 ( 2.560 5.553 13.453) 14.777 1.657 ( 0.395 24.521 -3.968) 24.843 2.022 ( 19.042 22.486 0.212) 29.466 2.359 ( 8.017 7.999 1.925) 11.488 2.492 ( 6.125 10.127 0.508) 11.846 3.122 ( 0.217 2.420 1.296) 2.754 3.290 ( 8.326 11.817 -5.810) 15.580 4.384 ( -4.913 -6.724 0.717) 8.359 4.627 ( -2.835 -7.609 -1.536) 8.264 4.906 ( -7.181 -2.988 -0.756) 7.814 5.040 ( -1.159 -6.643 1.878) 7.000 5.105 ( -3.206 -12.756 0.024) 13.153 5.242 ( -1.638 -6.877 -3.161) 7.744 5.940 ( 4.364 3.407 -0.625) 5.572 6.003 ( 2.559 6.091 0.280) 6.613 6.175 ( -0.243 7.550 1.771) 7.758 6.531 ( 6.806 12.726 -16.205) 21.700 10.110 ( -3.823 -6.050 5.105) 8.791 10.713 ( -6.729 -10.817 14.994) 19.675 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 4.897 4.784 7.190) 9.928 1.220 ( 6.022 4.050 9.004) 11.564 1.477 ( 1.586 1.852 11.156) 11.419 1.946 ( 9.299 22.171 -6.282) 24.850 2.451 ( 9.917 10.228 2.144) 14.407 2.605 ( 6.808 7.563 2.486) 10.475 2.742 ( 13.594 9.450 0.806) 16.575 3.230 ( 5.988 9.485 -0.268) 11.220 3.641 ( 19.414 17.110 -11.298) 28.237 4.228 ( -5.444 -7.467 1.750) 9.405 4.542 ( -2.503 -2.822 1.389) 4.020 4.744 ( -8.770 3.527 -1.486) 9.569 4.879 ( -6.578 -13.486 0.565) 15.015 4.961 ( -1.293 -7.222 1.482) 7.485 5.124 ( -3.893 -6.049 -3.868) 8.168 6.032 ( 3.838 1.574 -1.998) 4.605 6.108 ( 3.392 3.330 -0.167) 4.756 6.257 ( 1.178 5.368 2.777) 6.158 6.645 ( 2.534 4.282 -11.373) 12.414 10.002 ( -4.267 -4.340 4.665) 7.668 10.558 ( -6.989 -7.130 12.966) 16.365 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 1.593 2.101 4.629) 5.327 1.331 ( 1.786 0.838 3.843) 4.320 1.530 ( -0.975 1.988 10.716) 10.942 2.331 ( 15.098 15.363 -3.862) 21.884 2.599 ( 2.353 1.121 1.154) 2.851 2.714 ( 0.348 5.792 1.472) 5.986 3.102 ( 15.493 11.044 -0.408) 19.031 3.432 ( 5.703 8.105 -1.937) 10.098 3.988 ( 1.199 -5.511 -3.544) 6.661 4.231 ( 17.803 12.376 -7.596) 22.974 4.388 ( -13.150 1.393 0.381) 13.229 4.623 ( -7.952 -13.658 0.364) 15.809 4.835 ( 8.384 9.831 2.704) 13.201 4.902 ( -0.262 -2.029 0.641) 2.144 4.984 ( -3.532 -3.645 -1.585) 5.318 6.078 ( 1.977 -1.439 -3.493) 4.264 6.157 ( 0.635 0.573 -1.325) 1.577 6.326 ( 0.905 2.894 3.494) 4.626 6.635 ( -2.120 -1.266 -5.050) 5.621 9.925 ( -2.726 -2.173 3.565) 4.986 10.418 ( -6.836 -5.583 9.882) 13.249 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.353 0.843 3.201) 3.329 1.342 ( -0.611 -0.135 -0.485) 0.792 1.561 ( -2.019 1.824 10.750) 11.089 2.574 ( 0.020 -2.198 1.935) 2.928 2.634 ( 5.151 0.688 -2.346) 5.701 2.868 ( 8.693 16.109 -1.518) 18.368 3.446 ( 13.739 9.181 -2.609) 16.729 3.553 ( 2.757 5.684 -2.681) 6.863 3.850 ( -3.855 -9.515 0.565) 10.282 4.134 ( -15.587 1.494 1.389) 15.720 4.352 ( -8.872 -12.602 0.100) 15.412 4.673 ( 12.868 8.013 -6.292) 16.413 4.797 ( -7.324 0.178 -0.513) 7.344 4.985 ( 12.456 5.212 -4.338) 14.182 5.266 ( 18.083 12.990 4.771) 22.770 6.006 ( -5.599 -4.545 -4.672) 8.593 6.166 ( 1.451 -0.298 -2.650) 3.036 6.366 ( 0.623 0.420 3.974) 4.044 6.519 ( -6.855 -5.446 0.502) 8.770 9.891 ( -0.933 -0.584 2.434) 2.671 10.287 ( -6.272 -4.511 7.454) 10.736 ======================= Grid point 339 (119/189) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -0.519 0.270 2.491) 2.558 1.322 ( -1.009 0.276 -2.905) 3.087 1.559 ( -3.637 0.045 10.787) 11.383 2.517 ( -3.292 -1.398 1.908) 4.053 2.679 ( 2.391 -0.932 -2.686) 3.715 3.201 ( 12.586 11.862 -2.640) 17.495 3.603 ( -3.158 -6.219 -2.183) 7.308 3.649 ( 2.543 7.442 -3.288) 8.525 3.796 ( 5.217 4.679 -0.233) 7.012 3.921 ( -9.987 2.113 1.986) 10.399 4.089 ( -8.224 -10.939 0.762) 13.707 4.703 ( -4.904 2.924 0.446) 5.727 4.789 ( 2.671 -0.088 0.805) 2.791 5.362 ( 19.123 11.331 -8.365) 23.750 5.591 ( 0.684 -0.793 -3.252) 3.416 5.875 ( 2.262 2.696 -0.756) 3.599 6.174 ( 1.003 -1.055 -2.684) 3.053 6.311 ( -9.245 -7.589 4.706) 12.853 6.388 ( 0.448 -1.067 3.940) 4.106 9.893 ( 0.399 0.287 1.155) 1.255 10.175 ( -5.002 -3.415 6.427) 8.831 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( -1.622 -0.121 1.927) 2.522 1.293 ( -1.780 0.306 -3.869) 4.270 1.512 ( -5.098 -1.941 11.791) 12.992 2.476 ( -1.303 0.654 0.747) 1.638 2.693 ( 1.210 -1.083 -1.813) 2.434 3.374 ( -11.642 -5.752 2.245) 13.179 3.427 ( -1.484 4.832 -5.870) 7.747 3.676 ( -0.307 -2.255 -4.474) 5.019 3.802 ( -2.949 1.585 -0.339) 3.365 3.937 ( 1.638 5.551 3.392) 6.708 4.069 ( 11.735 2.713 -0.140) 12.045 4.697 ( -0.958 5.895 0.291) 5.979 4.831 ( 2.674 -0.968 1.876) 3.407 5.295 ( -19.139 -8.358 -7.735) 22.271 5.686 ( 5.778 3.964 -2.010) 7.290 5.860 ( -6.444 -5.103 -3.413) 8.900 6.158 ( 0.972 -1.685 -2.406) 3.094 6.322 ( 9.845 2.471 5.491) 11.540 6.406 ( 2.631 0.947 3.734) 4.665 9.910 ( 0.865 0.493 -0.995) 1.408 10.103 ( -2.769 -2.171 7.718) 8.482 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -4.461 -1.763 -0.562) 4.830 1.243 ( -3.675 0.432 0.829) 3.792 1.443 ( -4.494 -2.616 11.622) 12.733 2.489 ( 0.789 1.849 -0.456) 2.061 2.684 ( -0.305 -1.902 -0.252) 1.942 3.065 ( -20.306 -2.077 5.984) 21.271 3.226 ( -14.081 -5.842 -9.724) 18.082 3.680 ( -2.967 -0.533 -2.269) 3.773 3.812 ( 7.712 -0.801 0.218) 7.757 4.151 ( 8.610 10.296 2.983) 13.750 4.300 ( 12.711 2.405 -1.716) 13.050 4.780 ( 3.044 5.762 -1.072) 6.604 4.824 ( -21.168 -2.476 -9.549) 23.354 4.878 ( 0.805 -4.040 3.115) 5.165 5.365 ( -21.745 -12.505 4.717) 25.524 5.981 ( 8.198 4.393 -5.509) 10.810 6.138 ( -0.879 -0.899 -2.791) 3.061 6.370 ( 0.107 -3.183 4.109) 5.199 6.641 ( 12.696 5.100 0.822) 13.707 9.917 ( 0.383 0.122 -3.142) 3.168 10.100 ( 0.520 -0.722 10.890) 10.926 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -0.000 14.454 6.027) 15.660 1.104 ( -0.000 7.185 13.462) 15.259 1.447 ( -0.000 6.212 10.032) 11.800 1.895 ( -0.000 22.570 -8.992) 24.296 2.109 ( -0.000 28.754 5.633) 29.300 2.389 ( -0.000 11.128 3.656) 11.713 2.544 ( -0.000 9.701 0.815) 9.735 3.153 ( -0.000 5.170 1.285) 5.328 3.328 ( -0.000 14.471 -7.777) 16.428 4.356 ( 0.000 -8.198 1.044) 8.265 4.603 ( 0.000 -2.144 -1.712) 2.744 4.817 ( 0.000 -12.483 -1.300) 12.550 5.025 ( 0.000 -12.833 2.011) 12.990 5.069 ( -0.000 -0.181 0.671) 0.695 5.148 ( 0.000 -10.456 -2.331) 10.712 5.935 ( -0.000 4.249 -0.464) 4.274 6.039 ( -0.000 4.426 0.500) 4.455 6.260 ( -0.000 6.580 1.408) 6.729 6.559 ( 0.000 13.019 -14.645) 19.595 10.094 ( -0.000 -6.874 5.038) 8.522 10.702 ( -0.000 -10.973 12.819) 16.874 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 6.324 8.173 6.047) 11.974 1.213 ( 2.145 3.432 8.949) 9.821 1.534 ( 0.095 5.186 9.333) 10.678 2.077 ( 0.404 22.997 -9.374) 24.837 2.431 ( 6.816 13.191 4.332) 15.466 2.593 ( 6.503 12.823 4.671) 15.117 2.671 ( 5.705 8.100 1.435) 10.011 3.268 ( 2.650 13.108 1.491) 13.456 3.524 ( 9.731 16.668 -11.724) 22.582 4.240 ( -4.324 -8.188 1.476) 9.376 4.576 ( -2.202 2.157 0.318) 3.099 4.758 ( 4.959 -7.434 -1.922) 9.141 4.854 ( -4.787 -13.411 1.709) 14.342 4.987 ( -8.089 -1.196 0.411) 8.188 5.060 ( 1.190 -8.849 -2.675) 9.321 5.999 ( 2.314 2.959 -0.782) 3.837 6.088 ( 2.058 1.891 0.450) 2.831 6.317 ( -0.483 5.596 1.592) 5.838 6.630 ( 1.081 6.536 -10.941) 12.790 10.026 ( -2.287 -5.515 4.495) 7.474 10.611 ( -3.672 -8.756 10.893) 14.450 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 1.436 2.357 5.751) 6.379 1.306 ( 3.301 1.110 3.081) 4.649 1.607 ( -0.609 4.201 9.079) 10.022 2.308 ( 5.622 18.438 -6.474) 20.335 2.576 ( 2.340 1.255 2.390) 3.572 2.756 ( 2.993 7.239 0.758) 7.870 2.977 ( 13.238 13.399 2.546) 19.007 3.449 ( 3.052 10.660 0.089) 11.089 3.861 ( 11.279 9.127 -9.128) 17.141 4.127 ( 2.006 1.807 -0.834) 2.826 4.538 ( -3.903 -5.359 0.173) 6.632 4.643 ( -6.250 -8.182 1.577) 10.416 4.828 ( -1.132 -6.083 1.076) 6.280 4.865 ( 2.045 11.878 -0.799) 12.080 4.984 ( -0.739 -5.228 -2.669) 5.916 6.041 ( 1.150 0.663 -1.705) 2.160 6.131 ( 1.682 -1.331 0.540) 2.212 6.362 ( -0.256 3.395 2.249) 4.081 6.636 ( -1.109 0.485 -6.453) 6.565 9.955 ( -2.387 -3.226 3.528) 5.343 10.490 ( -5.189 -7.005 8.384) 12.095 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.310 0.411 3.672) 3.708 1.345 ( 0.384 0.130 0.054) 0.409 1.652 ( -1.839 3.219 8.267) 9.060 2.517 ( 4.955 5.349 -1.481) 7.441 2.601 ( 0.804 -0.317 0.023) 0.865 2.908 ( 4.680 13.162 -1.186) 14.019 3.315 ( 11.881 10.150 -0.213) 15.628 3.570 ( 2.233 6.908 -1.029) 7.333 3.825 ( -3.206 -7.703 -0.417) 8.354 4.335 ( -8.481 -8.652 -0.832) 12.144 4.412 ( -1.140 1.763 2.459) 3.233 4.533 ( 5.819 13.570 -7.788) 16.693 4.775 ( 4.694 -8.519 -0.283) 9.731 4.925 ( -0.700 2.494 -1.675) 3.084 5.160 ( 11.844 15.653 1.785) 19.710 6.033 ( -2.282 -0.862 -2.151) 3.252 6.119 ( 1.097 -3.970 -0.278) 4.129 6.382 ( -0.644 0.497 2.595) 2.719 6.559 ( -4.210 -4.301 -2.120) 6.381 9.911 ( -1.379 -1.309 2.470) 3.118 10.361 ( -5.567 -5.633 6.114) 10.005 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.032 -0.147 2.017) 2.022 1.338 ( -1.004 0.634 -1.635) 2.021 1.657 ( -3.336 1.147 8.095) 8.830 2.553 ( -1.198 -1.250 2.138) 2.752 2.627 ( 2.028 0.659 -2.299) 3.135 3.144 ( 7.529 12.475 -1.954) 14.701 3.509 ( 5.324 -2.978 -2.476) 6.583 3.680 ( 2.787 8.483 -1.165) 9.005 3.769 ( 2.508 2.349 0.059) 3.436 4.084 ( -10.275 -8.911 -0.837) 13.627 4.243 ( -13.859 3.608 2.957) 14.623 4.731 ( 4.399 -0.796 1.229) 4.636 4.768 ( -0.433 -0.689 -2.654) 2.776 5.141 ( 16.846 13.256 -6.755) 22.475 5.504 ( 10.850 8.356 1.157) 13.744 5.927 ( -6.105 -0.405 -1.996) 6.436 6.119 ( 2.800 -2.918 -0.948) 4.153 6.366 ( -2.237 -4.031 2.883) 5.437 6.403 ( -5.858 -5.965 1.178) 8.443 9.897 ( -0.268 -0.196 1.407) 1.445 10.241 ( -4.951 -4.362 4.882) 8.208 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -0.563 -0.060 0.089) 0.573 1.319 ( -1.521 0.971 -1.526) 2.363 1.616 ( -4.750 -1.256 9.125) 10.364 2.519 ( -2.208 0.033 2.122) 3.063 2.654 ( 1.557 0.156 -2.018) 2.554 3.335 ( 5.014 3.052 -3.186) 6.679 3.498 ( 1.697 -2.510 0.075) 3.031 3.766 ( -11.850 -0.416 -7.078) 13.810 3.840 ( 3.820 6.498 0.770) 7.577 3.895 ( 1.957 -3.680 2.173) 4.701 4.123 ( -7.023 11.502 3.425) 13.905 4.741 ( -0.416 -0.792 -1.324) 1.598 4.784 ( 2.648 -0.668 1.616) 3.173 5.470 ( -5.068 -0.193 -9.220) 10.523 5.551 ( 8.560 7.374 -0.015) 11.298 5.923 ( -1.992 -0.171 -2.974) 3.584 6.116 ( -0.936 -4.564 1.342) 4.848 6.235 ( 2.394 -1.582 3.611) 4.612 6.371 ( 1.709 -2.845 2.566) 4.195 9.902 ( 0.352 0.194 -0.018) 0.402 10.150 ( -3.245 -3.168 5.412) 7.061 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -2.427 -0.133 -1.973) 3.131 1.298 ( -1.914 0.955 0.824) 2.292 1.541 ( -5.406 -2.939 10.927) 12.541 2.508 ( -0.587 1.582 1.054) 1.989 2.664 ( 0.436 -0.879 -1.117) 1.487 3.303 ( -6.306 -1.636 -2.050) 6.830 3.442 ( -19.211 -1.366 -2.509) 19.422 3.601 ( 8.192 -0.243 -1.043) 8.262 3.801 ( -5.080 -1.350 0.319) 5.266 4.066 ( 10.593 5.540 -0.114) 11.955 4.242 ( 2.523 12.684 1.961) 13.080 4.724 ( 2.910 -6.896 0.254) 7.489 4.831 ( 1.713 2.100 -0.367) 2.735 5.161 ( -19.894 0.437 -6.691) 20.993 5.615 ( -18.914 -9.461 2.317) 21.275 5.855 ( 10.548 6.439 -4.434) 13.130 6.111 ( 1.793 -1.677 -1.569) 2.914 6.324 ( 2.981 -3.433 4.088) 6.114 6.478 ( 11.204 2.515 0.841) 11.514 9.905 ( 0.101 0.014 -1.882) 1.885 10.116 ( -0.233 -2.014 8.029) 8.281 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -0.000 8.296 4.389) 9.386 1.249 ( -0.000 1.071 7.746) 7.819 1.615 ( -0.000 5.483 7.389) 9.202 2.266 ( -0.000 22.629 -11.461) 25.366 2.494 ( -0.000 7.001 4.461) 8.301 2.684 ( -0.000 3.466 1.436) 3.751 2.703 ( -0.000 16.890 6.857) 18.229 3.398 ( -0.000 13.735 2.213) 13.913 3.568 ( -0.000 19.488 -10.802) 22.282 4.215 ( 0.000 -6.016 1.142) 6.124 4.545 ( 0.000 -13.994 -2.043) 14.142 4.715 ( -0.000 13.710 -0.615) 13.724 4.779 ( 0.000 -14.064 2.580) 14.298 4.942 ( 0.000 -7.856 -1.691) 8.036 5.053 ( 0.000 -1.731 0.042) 1.732 6.011 ( -0.000 3.622 -0.102) 3.624 6.076 ( 0.000 -1.136 0.222) 1.158 6.375 ( -0.000 4.572 0.509) 4.600 6.648 ( 0.000 4.388 -8.507) 9.572 10.005 ( -0.000 -5.074 3.762) 6.317 10.587 ( -0.000 -8.637 8.534) 12.142 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 1.796 3.299 4.234) 5.660 1.281 ( 1.520 0.214 3.769) 4.069 1.685 ( -0.339 4.894 5.698) 7.519 2.431 ( -0.809 18.883 -8.095) 20.561 2.562 ( 1.495 0.705 2.957) 3.387 2.750 ( 4.430 4.203 -0.305) 6.114 2.960 ( 7.260 16.674 5.961) 19.138 3.500 ( 1.640 6.161 -1.882) 6.648 3.806 ( 5.172 14.307 -3.841) 15.691 4.157 ( -1.910 4.647 -0.166) 5.027 4.445 ( 3.702 -11.927 -1.571) 12.587 4.602 ( -3.905 -13.208 1.277) 13.833 4.855 ( 3.487 0.192 -0.180) 3.497 4.936 ( -2.020 5.098 0.240) 5.489 4.984 ( -3.143 6.748 -1.866) 7.674 6.031 ( -0.134 -0.647 -0.606) 0.897 6.084 ( 2.289 -1.439 1.121) 2.927 6.408 ( -0.712 3.111 0.495) 3.230 6.640 ( -1.111 -0.012 -5.555) 5.665 9.962 ( -1.150 -3.461 2.790) 4.592 10.508 ( -2.590 -7.624 6.061) 10.078 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.308 -0.895 3.659) 3.779 1.332 ( 1.624 0.820 0.415) 1.866 1.731 ( -1.109 3.440 4.029) 5.412 2.533 ( 0.058 6.528 -2.020) 6.834 2.586 ( 0.676 0.497 0.602) 1.032 2.923 ( 7.103 11.209 -2.468) 13.497 3.262 ( 8.089 13.008 3.194) 15.647 3.583 ( 2.945 4.439 -1.220) 5.465 3.808 ( -3.123 -6.118 -0.420) 6.882 4.307 ( -1.391 -7.843 0.949) 8.022 4.401 ( 6.702 7.607 0.589) 10.156 4.525 ( 6.414 0.808 -4.931) 8.131 4.766 ( -9.775 -1.748 0.504) 9.943 4.911 ( 2.514 -0.404 -0.588) 2.613 5.199 ( 4.521 20.360 -0.999) 20.880 6.014 ( 1.900 -4.437 -0.350) 4.840 6.088 ( -1.216 -1.659 1.104) 2.334 6.411 ( -1.488 0.606 0.968) 1.875 6.570 ( -3.043 -4.242 -2.996) 6.019 9.925 ( -1.111 -1.741 1.839) 2.765 10.400 ( -3.963 -6.340 3.818) 8.395 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.367 -0.913 2.076) 2.298 1.349 ( 0.024 0.424 -0.879) 0.976 1.736 ( -2.333 1.071 3.294) 4.177 2.560 ( -0.325 0.613 0.777) 1.042 2.608 ( 1.202 1.079 -1.032) 1.917 3.149 ( 6.335 11.599 -1.734) 13.329 3.422 ( 1.091 -0.339 -0.294) 1.180 3.687 ( 4.724 5.256 1.423) 7.209 3.760 ( 1.295 2.934 -1.077) 3.383 4.123 ( -5.526 -10.295 -0.392) 11.691 4.497 ( -3.084 2.082 2.273) 4.361 4.615 ( 0.248 -5.061 0.490) 5.091 4.727 ( 3.816 5.836 -3.571) 7.833 5.040 ( 9.192 12.646 -2.332) 15.807 5.461 ( 6.222 13.709 -0.651) 15.069 6.005 ( 0.185 -7.086 1.487) 7.243 6.034 ( -1.083 1.582 -0.673) 2.032 6.374 ( -2.162 -2.515 1.220) 3.534 6.436 ( -5.418 -7.325 -1.001) 9.166 9.905 ( -0.524 -0.586 1.044) 1.306 10.285 ( -4.211 -5.012 2.388) 6.968 ======================= Grid point 364 (133/189) ======================= q-point: ( 0.75 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.144 -0.243 0.494) 0.569 1.343 ( -0.750 0.610 -1.011) 1.399 1.696 ( -3.518 -1.427 4.050) 5.551 2.547 ( -1.057 -0.960 1.493) 2.066 2.640 ( 1.005 1.939 -1.194) 2.489 3.312 ( 1.676 5.852 -1.758) 6.336 3.395 ( 3.859 -4.761 -0.241) 6.133 3.828 ( 2.484 2.037 0.431) 3.242 3.837 ( 3.033 6.012 -1.039) 6.814 3.941 ( -6.715 -3.276 -1.211) 7.569 4.405 ( -10.834 9.606 3.818) 14.974 4.680 ( 7.117 -3.193 -2.426) 8.170 4.728 ( -0.641 -3.703 0.484) 3.789 5.371 ( 12.627 13.595 -4.241) 19.033 5.604 ( -0.862 2.752 0.245) 2.894 5.933 ( -1.030 -0.095 -1.928) 2.188 6.085 ( 2.727 0.398 1.254) 3.028 6.246 ( -6.670 -6.629 1.776) 9.570 6.319 ( -0.063 -5.579 0.678) 5.620 9.900 ( 0.014 -0.069 0.275) 0.284 10.184 ( -3.334 -3.833 2.339) 5.593 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -0.986 0.270 -1.443) 1.768 1.333 ( -0.999 0.631 0.560) 1.308 1.624 ( -4.278 -3.218 6.229) 8.213 2.528 ( -0.513 -0.736 1.353) 1.624 2.659 ( -0.264 1.102 -1.056) 1.549 3.333 ( 0.166 1.263 -2.295) 2.625 3.462 ( 4.670 -2.565 -0.751) 5.381 3.717 ( -11.475 1.265 -0.613) 11.561 3.849 ( -1.730 -2.290 0.618) 2.936 3.991 ( 4.514 5.996 -0.948) 7.565 4.405 ( -4.184 13.686 3.449) 14.721 4.606 ( -0.776 -11.538 -0.604) 11.580 4.796 ( 4.849 0.691 -1.011) 5.002 5.436 ( -12.860 2.587 -4.972) 14.028 5.713 ( 9.569 6.303 1.299) 11.532 5.846 ( -11.818 -1.892 -5.298) 13.089 6.049 ( 1.912 -2.965 2.860) 4.542 6.246 ( 3.852 -2.297 3.288) 5.561 6.324 ( 7.519 -1.732 -0.246) 7.719 9.900 ( -0.045 0.005 -0.860) 0.861 10.123 ( -1.091 -2.916 4.231) 5.253 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -0.000 -1.746 4.004) 4.368 1.278 ( -0.000 3.493 1.693) 3.882 1.746 ( -0.000 4.256 2.143) 4.765 2.553 ( -0.000 -1.043 3.520) 3.671 2.629 ( -0.000 21.676 -8.675) 23.347 2.709 ( 0.000 -0.844 -0.072) 0.847 3.091 ( -0.000 17.452 6.953) 18.786 3.509 ( 0.000 2.732 -3.992) 4.837 3.873 ( -0.000 2.424 1.981) 3.130 4.258 ( 0.000 -13.919 -2.667) 14.172 4.297 ( -0.000 20.815 -0.816) 20.831 4.518 ( 0.000 -14.413 2.357) 14.605 4.765 ( 0.000 -5.159 0.173) 5.162 5.006 ( 0.000 -1.450 -0.139) 1.457 5.143 ( -0.000 23.448 -2.564) 23.588 5.995 ( 0.000 -7.539 0.960) 7.599 6.072 ( -0.000 2.492 0.644) 2.574 6.443 ( -0.000 2.529 -0.673) 2.617 6.623 ( 0.000 -2.934 -3.632) 4.669 9.948 ( -0.000 -2.749 1.812) 3.293 10.472 ( 0.000 -7.299 3.460) 8.077 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.298 -1.908 3.111) 3.661 1.318 ( 1.182 1.371 0.122) 1.815 1.779 ( -0.428 2.616 -0.891) 2.796 2.557 ( 0.540 -0.681 2.850) 2.979 2.639 ( -3.771 2.726 -2.253) 5.170 2.899 ( 7.702 14.706 -4.249) 17.136 3.313 ( 3.973 14.860 5.668) 16.393 3.552 ( 3.362 2.602 -2.244) 4.807 3.813 ( -3.993 -5.669 1.317) 7.058 4.194 ( 7.397 -11.950 -2.156) 14.218 4.310 ( -5.536 -10.938 2.745) 12.562 4.575 ( 3.242 21.017 -1.548) 21.322 4.767 ( 3.965 -4.247 0.823) 5.869 4.957 ( -4.312 3.068 0.143) 5.295 5.368 ( 0.404 22.593 -2.853) 22.776 5.920 ( 1.027 -9.484 1.579) 9.669 6.100 ( 0.129 1.153 1.175) 1.652 6.447 ( -1.505 1.042 -0.796) 1.996 6.553 ( -1.770 -6.277 -2.263) 6.904 9.926 ( -0.498 -1.635 0.946) 1.953 10.396 ( -1.924 -6.317 1.070) 6.689 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.648 -1.403 2.483) 2.925 1.340 ( 0.792 0.146 -1.004) 1.287 1.773 ( -1.171 0.141 -2.489) 2.754 2.582 ( 1.277 1.000 2.034) 2.601 2.597 ( -1.684 -0.266 -2.032) 2.652 3.140 ( 6.196 11.518 -1.759) 13.197 3.466 ( -2.301 4.468 1.729) 5.315 3.642 ( 5.452 2.402 3.056) 6.696 3.764 ( 1.868 3.634 -0.910) 4.186 4.084 ( -3.963 -11.804 -0.130) 12.452 4.282 ( 11.921 -9.256 -0.766) 15.112 4.725 ( -1.945 1.388 1.127) 2.642 4.760 ( -2.187 3.896 -1.780) 4.810 5.059 ( 4.492 17.537 1.687) 18.182 5.544 ( 0.296 13.126 -2.995) 13.466 5.880 ( 3.545 -7.050 2.927) 8.417 6.098 ( -1.888 1.405 0.914) 2.525 6.394 ( -3.345 -4.536 -0.281) 5.643 6.439 ( -3.363 -5.249 -2.059) 6.565 9.909 ( -0.427 -0.728 0.402) 0.935 10.299 ( -2.932 -5.052 -0.612) 5.873 ======================= Grid point 376 (138/189) ======================= q-point: ( 0.75 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.666 -0.570 1.699) 1.911 1.346 ( 0.341 -0.041 -1.243) 1.289 1.728 ( -1.947 -2.345 -2.135) 3.722 2.560 ( -1.362 -0.977 -0.835) 1.873 2.631 ( 2.082 1.604 0.569) 2.689 3.299 ( 4.057 2.952 0.879) 5.094 3.396 ( -5.159 1.838 -0.544) 5.503 3.798 ( 4.718 2.489 4.295) 6.849 3.846 ( 1.878 4.739 -1.377) 5.281 3.944 ( -0.454 -6.494 -1.388) 6.657 4.437 ( 14.029 -3.889 -2.571) 14.783 4.651 ( -6.968 2.914 2.974) 8.117 4.738 ( -3.480 -0.782 -1.289) 3.792 5.340 ( 7.349 15.529 1.922) 17.287 5.620 ( 1.877 2.240 -2.902) 4.119 5.900 ( 2.004 -3.493 4.648) 6.150 6.097 ( -0.851 3.790 -0.981) 4.006 6.261 ( -2.857 -7.906 -1.500) 8.539 6.325 ( -5.983 -2.801 -0.444) 6.621 9.901 ( -0.120 -0.242 0.202) 0.337 10.202 ( -2.944 -3.873 -1.134) 4.995 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.016 0.027 0.000) 0.032 1.346 ( 0.013 0.022 -0.000) 0.026 1.655 ( -2.363 -4.093 -0.000) 4.726 2.528 ( -0.808 -1.400 0.000) 1.617 2.670 ( 0.571 0.990 -0.000) 1.143 3.334 ( 0.919 1.592 -0.000) 1.838 3.401 ( 1.016 1.760 0.000) 2.033 3.826 ( -0.948 -1.642 -0.000) 1.896 3.844 ( -0.947 -1.640 0.000) 1.894 3.990 ( 2.400 4.157 -0.000) 4.801 4.532 ( -5.393 -9.341 -0.000) 10.786 4.604 ( 2.387 4.134 0.000) 4.773 4.693 ( 1.745 3.022 0.000) 3.489 5.596 ( 6.018 10.423 0.000) 12.036 5.617 ( -1.316 -2.280 -0.000) 2.633 5.932 ( 1.764 3.055 0.000) 3.527 6.051 ( -3.276 -5.675 -0.000) 6.552 6.187 ( -3.688 -6.388 -0.000) 7.376 6.235 ( 2.098 3.634 0.000) 4.196 9.900 ( -0.008 -0.014 -0.000) 0.016 10.125 ( -1.774 -3.072 -0.000) 3.548 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.000 -1.933 2.804) 3.406 1.319 ( 0.000 0.777 -0.873) 1.168 1.789 ( 0.000 0.954 -5.281) 5.366 2.549 ( -0.000 -1.458 2.467) 2.865 2.668 ( 0.000 -2.111 -0.701) 2.224 2.983 ( -0.000 18.485 -3.685) 18.849 3.442 ( -0.000 13.328 6.096) 14.656 3.538 ( -0.000 2.810 -1.347) 3.116 3.818 ( -0.000 -5.165 3.251) 6.103 3.977 ( 0.000 -12.354 -3.663) 12.886 4.262 ( 0.000 -12.700 1.431) 12.780 4.688 ( 0.000 -2.810 0.667) 2.888 4.734 ( -0.000 14.356 -0.282) 14.359 5.054 ( -0.000 11.394 1.578) 11.503 5.560 ( -0.000 16.229 -3.704) 16.647 5.824 ( 0.000 -7.839 3.104) 8.431 6.115 ( -0.000 1.264 1.449) 1.922 6.468 ( 0.000 0.961 -1.853) 2.087 6.487 ( 0.000 -9.027 -1.449) 9.142 9.918 ( 0.000 -1.133 0.203) 1.151 10.352 ( 0.000 -5.576 -1.580) 5.795 ======================= Grid point 388 (141/189) ======================= q-point: ( 0.67 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.566 -1.383 2.830) 3.201 1.323 ( 0.616 -0.202 -1.741) 1.858 1.763 ( -0.357 -1.303 -7.863) 7.978 2.546 ( 1.380 -2.494 -0.315) 2.868 2.637 ( -1.926 0.641 0.921) 2.229 3.177 ( 3.636 13.574 -0.509) 14.062 3.548 ( -1.271 2.572 3.049) 4.187 3.593 ( 2.874 1.756 2.410) 4.141 3.766 ( 0.945 1.952 1.390) 2.576 3.974 ( 9.069 -6.983 -2.632) 11.745 4.092 ( -5.278 -10.090 0.516) 11.399 4.704 ( 3.332 -1.883 0.261) 3.836 4.809 ( -0.770 3.496 -1.162) 3.763 5.225 ( 0.401 19.712 4.367) 20.194 5.579 ( 0.117 -7.612 -1.212) 7.709 5.851 ( 0.219 8.028 1.732) 8.216 6.129 ( -0.207 0.870 1.615) 1.846 6.370 ( -2.410 -8.888 -1.564) 9.341 6.453 ( -1.660 -0.074 -2.389) 2.911 9.908 ( -0.195 -0.595 -0.097) 0.633 10.282 ( -1.420 -4.407 -3.621) 5.878 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.920 -0.899 2.711) 3.000 1.326 ( 0.944 -0.585 -1.848) 2.156 1.703 ( -0.674 -3.607 -8.071) 8.866 2.542 ( 1.274 -2.241 -2.403) 3.524 2.634 ( -0.456 1.812 2.064) 2.784 3.308 ( 0.269 4.465 2.282) 5.021 3.498 ( -3.344 1.730 0.024) 3.765 3.697 ( 6.851 -7.373 6.460) 11.959 3.852 ( 3.862 4.993 -1.313) 6.447 3.914 ( -4.638 -1.868 -1.500) 5.220 4.152 ( 14.384 -0.424 -2.480) 14.602 4.727 ( -1.047 -0.269 1.388) 1.759 4.798 ( -2.289 1.536 -1.260) 3.031 5.391 ( 2.515 -0.040 6.385) 6.863 5.560 ( 3.762 5.474 -1.322) 6.772 5.891 ( -0.838 -2.185 3.406) 4.133 6.124 ( -1.468 -1.941 -0.427) 2.471 6.264 ( -3.027 1.214 -2.161) 3.912 6.395 ( -4.122 -0.060 -2.280) 4.711 9.901 ( -0.132 -0.251 0.178) 0.335 10.201 ( -2.133 -3.221 -4.629) 6.030 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -0.000 -1.130 3.044) 3.247 1.305 ( 0.000 -0.920 -2.462) 2.629 1.712 ( 0.000 -3.060 -11.356) 11.761 2.501 ( 0.000 -3.041 -1.284) 3.301 2.669 ( -0.000 1.328 2.024) 2.421 3.262 ( -0.000 8.658 3.333) 9.278 3.534 ( 0.000 -10.342 -1.032) 10.394 3.610 ( -0.000 4.286 1.926) 4.699 3.764 ( -0.000 -2.383 3.086) 3.899 3.854 ( -0.000 4.305 0.197) 4.309 4.097 ( 0.000 -1.619 -0.946) 1.875 4.646 ( 0.000 -0.801 -0.946) 1.240 4.842 ( -0.000 2.339 -0.742) 2.454 5.364 ( -0.000 -6.024 6.088) 8.565 5.506 ( -0.000 7.212 1.244) 7.319 5.923 ( -0.000 0.176 0.772) 0.791 6.140 ( -0.000 0.029 2.180) 2.180 6.331 ( 0.000 0.519 -2.782) 2.830 6.459 ( 0.000 -0.185 -2.871) 2.877 9.904 ( 0.000 -0.319 -0.111) 0.337 10.240 ( 0.000 -3.290 -6.144) 6.969 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.628 -1.347 3.045) 3.388 1.293 ( 0.967 -1.375 -2.473) 2.990 1.633 ( -0.074 -4.853 -12.262) 13.187 2.487 ( 1.532 -1.471 -1.439) 2.565 2.675 ( -1.379 1.213 1.713) 2.512 3.345 ( 0.637 -1.251 6.406) 6.558 3.421 ( 5.461 -12.675 -2.876) 14.098 3.633 ( -2.623 0.957 4.226) 5.065 3.794 ( 3.505 -1.450 1.323) 4.017 3.969 ( 4.984 5.648 -3.003) 8.109 4.068 ( -3.741 9.833 0.054) 10.521 4.699 ( 4.667 1.763 -0.103) 4.990 4.846 ( -1.839 1.808 -0.884) 2.726 5.228 ( 2.359 -20.952 5.470) 21.782 5.666 ( 0.771 14.743 2.073) 14.908 5.833 ( -1.251 -14.182 2.102) 14.391 6.137 ( -1.068 -0.613 1.915) 2.277 6.364 ( -2.991 9.224 -3.017) 10.156 6.439 ( -0.995 2.098 -2.878) 3.698 9.902 ( -0.090 -0.069 0.552) 0.564 10.181 ( -1.078 -2.095 -7.732) 8.083 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -0.000 -2.387 2.866) 3.730 1.255 ( 0.000 -2.474 -2.799) 3.736 1.539 ( 0.000 -5.622 -13.539) 14.660 2.466 ( -0.000 0.455 -0.277) 0.533 2.701 ( -0.000 0.249 1.070) 1.099 3.194 ( 0.000 -18.285 -4.722) 18.885 3.302 ( -0.000 -10.438 9.135) 13.871 3.682 ( -0.000 -0.766 3.610) 3.691 3.794 ( -0.000 5.121 1.260) 5.274 3.989 ( -0.000 11.448 -3.809) 12.065 4.233 ( -0.000 12.236 1.088) 12.284 4.662 ( -0.000 3.155 -0.381) 3.178 4.869 ( -0.000 -1.539 1.655) 2.260 5.014 ( 0.000 -20.465 3.888) 20.831 5.610 ( 0.000 -20.983 -3.846) 21.333 5.859 ( -0.000 11.266 7.110) 13.323 6.145 ( -0.000 -1.212 2.819) 3.069 6.423 ( 0.000 -1.300 -3.661) 3.885 6.521 ( -0.000 14.776 -2.108) 14.926 9.907 ( -0.000 0.206 1.522) 1.536 10.146 ( 0.000 -0.876 -9.973) 10.012 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -0.000 -0.000 15.493) 15.493 0.431 ( -0.000 -0.000 15.493) 15.493 1.260 ( -0.000 -0.000 35.842) 35.842 1.273 ( 0.000 0.000 -8.667) 8.667 1.273 ( 0.000 0.000 -8.667) 8.667 2.218 ( -0.000 -0.000 0.928) 0.928 2.218 ( -0.000 -0.000 0.928) 0.928 3.077 ( 0.000 0.000 -1.677) 1.677 3.162 ( -0.000 -0.000 0.264) 0.264 4.594 ( -0.000 -0.000 0.052) 0.052 4.874 ( 0.000 0.000 -10.811) 10.811 5.077 ( 0.000 0.000 -0.386) 0.386 5.077 ( 0.000 -0.000 -0.386) 0.386 5.391 ( 0.000 -0.000 0.759) 0.759 5.391 ( -0.000 0.000 0.759) 0.759 5.837 ( -0.000 0.000 0.094) 0.094 5.837 ( -0.000 0.000 0.094) 0.094 6.015 ( -0.000 -0.000 1.485) 1.485 6.015 ( -0.000 -0.000 1.485) 1.485 10.258 ( -0.000 -0.000 5.098) 5.098 11.080 ( 0.000 0.000 -1.046) 1.046 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 14.686 8.479 13.507) 21.679 0.773 ( 20.394 11.775 9.110) 25.250 1.265 ( 7.819 4.515 -10.675) 13.981 1.390 ( 3.593 2.074 22.667) 23.043 1.646 ( 24.488 14.138 -0.154) 28.277 2.259 ( 5.722 3.303 1.513) 6.778 2.331 ( 7.899 4.560 0.341) 9.127 3.105 ( 1.283 0.741 -0.816) 1.692 3.159 ( 2.639 1.523 -0.917) 3.182 4.495 ( -7.021 -4.054 0.691) 8.137 4.748 ( -5.748 -3.318 -5.921) 8.894 4.959 ( -8.184 -4.725 0.118) 9.450 5.134 ( 0.554 0.320 -0.519) 0.824 5.279 ( -4.929 -2.846 -1.703) 5.941 5.339 ( -7.139 -4.122 0.232) 8.247 5.885 ( 3.979 2.297 -0.577) 4.631 5.888 ( 4.874 2.814 -0.139) 5.630 6.061 ( 4.307 2.487 2.166) 5.424 6.263 ( 14.805 8.548 -7.438) 18.644 10.219 ( -4.788 -2.764 5.364) 7.703 10.934 ( -10.624 -6.134 6.613) 13.936 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 7.876 4.547 8.004) 12.115 1.155 ( 10.444 6.030 8.857) 14.962 1.514 ( 1.423 0.822 13.315) 13.416 1.555 ( 19.550 11.287 -6.340) 23.448 2.213 ( 22.254 12.848 1.601) 25.746 2.473 ( 11.121 6.421 2.342) 13.053 2.570 ( 13.260 7.656 -0.703) 15.328 3.126 ( 2.966 1.713 0.658) 3.488 3.352 ( 15.514 8.957 -7.216) 19.313 4.342 ( -6.674 -3.853 1.593) 7.870 4.631 ( -2.368 -1.367 -3.657) 4.566 4.736 ( -11.504 -6.642 0.647) 13.299 5.050 ( -6.269 -3.619 1.898) 7.483 5.123 ( -11.323 -6.537 -0.147) 13.075 5.190 ( -3.468 -2.002 -4.644) 6.133 5.985 ( 4.785 2.763 -1.833) 5.821 6.022 ( 6.124 3.536 -0.779) 7.114 6.178 ( 4.854 2.803 3.254) 6.481 6.507 ( 9.127 5.270 -9.863) 14.434 10.103 ( -6.469 -3.735 5.326) 9.174 10.729 ( -9.870 -5.699 10.725) 15.650 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 3.515 2.029 4.149) 5.804 1.324 ( 3.048 1.760 5.471) 6.505 1.553 ( -0.470 -0.272 9.966) 9.981 2.023 ( 22.324 12.889 -2.146) 25.867 2.544 ( 7.326 4.230 1.836) 8.657 2.660 ( 3.514 2.029 2.017) 4.531 2.899 ( 15.989 9.231 -1.880) 18.557 3.287 ( 9.842 5.682 -0.328) 11.369 3.789 ( 24.569 14.185 -12.762) 31.108 4.206 ( -5.421 -3.130 1.849) 6.527 4.462 ( -13.019 -7.516 1.301) 15.089 4.681 ( 8.423 4.863 0.465) 9.737 4.853 ( -12.478 -7.204 -0.419) 14.414 4.925 ( -4.748 -2.741 0.030) 5.483 5.073 ( -5.550 -3.204 -1.479) 6.577 6.074 ( 3.777 2.181 -2.815) 5.191 6.113 ( 1.814 1.048 -2.436) 3.213 6.286 ( 3.549 2.049 4.020) 5.740 6.611 ( 2.613 1.509 -5.887) 6.615 9.989 ( -4.838 -2.793 4.508) 7.178 10.557 ( -8.664 -5.002 9.523) 13.813 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 1.403 0.810 3.131) 3.525 1.349 ( -0.823 -0.475 0.007) 0.950 1.581 ( -0.201 -0.116 11.189) 11.192 2.510 ( 21.264 12.277 -0.746) 24.565 2.617 ( -0.339 -0.196 -0.035) 0.393 2.682 ( -0.390 -0.225 0.937) 1.040 3.251 ( 15.734 9.084 -3.235) 18.454 3.460 ( 5.453 3.149 -1.759) 6.538 4.002 ( -4.306 -2.486 -2.915) 5.764 4.170 ( -13.482 -7.784 2.548) 15.775 4.406 ( 23.638 13.648 -9.441) 28.882 4.567 ( -12.787 -7.383 -0.714) 14.783 4.794 ( -4.165 -2.405 -1.185) 4.953 4.973 ( -0.987 -0.570 1.031) 1.537 5.046 ( 18.053 10.423 4.421) 21.309 6.071 ( -4.642 -2.680 -4.457) 6.971 6.134 ( 2.440 1.408 -3.263) 4.311 6.362 ( 2.022 1.167 4.262) 4.859 6.591 ( -3.411 -1.970 -0.910) 4.043 9.921 ( -2.406 -1.389 3.294) 4.309 10.401 ( -7.705 -4.449 7.534) 11.658 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.119 0.068 2.861) 2.864 1.317 ( -1.236 -0.714 -2.799) 3.142 1.604 ( -1.405 -0.811 11.807) 11.918 2.561 ( -3.809 -2.199 1.381) 4.610 2.683 ( 0.615 0.355 -2.322) 2.428 2.957 ( 18.568 10.720 -0.841) 21.457 3.549 ( 3.865 2.231 -2.425) 5.079 3.559 ( 11.804 6.815 -5.463) 14.684 3.884 ( -4.623 -2.669 -2.416) 5.860 3.887 ( -11.941 -6.894 5.133) 14.713 4.283 ( -12.068 -6.968 -0.625) 13.949 4.689 ( -4.048 -2.337 0.581) 4.711 4.759 ( 6.552 3.783 -1.797) 7.776 5.123 ( 16.932 9.776 -6.491) 20.601 5.494 ( 16.616 9.593 3.354) 19.478 5.895 ( -7.818 -4.514 -4.614) 10.138 6.163 ( 1.170 0.676 -3.287) 3.554 6.406 ( 0.772 0.445 4.131) 4.226 6.452 ( -8.963 -5.175 2.577) 10.666 9.899 ( -0.527 -0.304 1.984) 2.076 10.266 ( -6.245 -3.605 6.510) 9.715 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -0.904 -0.522 2.796) 2.985 1.282 ( -1.015 -0.586 -3.956) 4.126 1.591 ( -3.404 -1.965 12.746) 13.338 2.488 ( -2.616 -1.510 1.295) 3.286 2.693 ( 0.946 0.546 -2.652) 2.868 3.299 ( 10.655 6.151 -4.138) 12.980 3.520 ( -12.505 -7.220 1.795) 14.551 3.634 ( 4.501 2.599 -2.959) 5.981 3.792 ( -2.686 -1.551 -2.229) 3.820 3.857 ( 4.605 2.659 -0.450) 5.336 4.087 ( -1.787 -1.032 1.117) 2.346 4.634 ( -0.824 -0.476 1.415) 1.705 4.832 ( 2.076 1.199 1.258) 2.707 5.443 ( -11.507 -6.644 -9.389) 16.270 5.525 ( 12.852 7.420 -3.069) 15.154 5.930 ( 1.007 0.582 -0.502) 1.267 6.166 ( 0.040 0.023 -3.099) 3.100 6.290 ( -0.152 -0.088 5.664) 5.666 6.425 ( -0.195 -0.112 3.885) 3.892 9.902 ( 0.332 0.192 0.275) 0.472 10.172 ( -3.957 -2.285 7.324) 8.633 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -0.000 13.257 10.861) 17.138 0.902 ( -0.000 19.525 13.116) 23.522 1.316 ( -0.000 11.630 -3.474) 12.138 1.462 ( -0.000 18.099 -9.901) 20.630 1.606 ( -0.000 17.711 21.599) 27.932 2.247 ( -0.000 4.517 2.348) 5.091 2.339 ( -0.000 9.467 -0.111) 9.467 3.110 ( -0.000 4.360 -2.037) 4.813 3.148 ( 0.000 -0.167 -0.016) 0.168 4.507 ( 0.000 -6.999 1.004) 7.071 4.714 ( 0.000 -7.817 -7.328) 10.715 5.014 ( 0.000 -7.554 -1.192) 7.648 5.066 ( -0.000 0.309 0.496) 0.584 5.258 ( 0.000 -10.063 1.892) 10.239 5.331 ( 0.000 -8.235 -0.625) 8.258 5.861 ( -0.000 2.821 -0.044) 2.821 5.921 ( -0.000 7.036 -0.363) 7.046 6.126 ( -0.000 7.162 1.046) 7.238 6.207 ( -0.000 16.531 -6.204) 17.657 10.238 ( -0.000 -5.377 5.424) 7.638 10.954 ( 0.000 -10.320 4.530) 11.270 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 13.954 8.941 8.751) 18.742 1.124 ( 3.694 9.795 8.755) 13.647 1.434 ( 3.781 10.835 1.985) 11.646 1.634 ( 1.111 16.328 -2.069) 16.496 2.051 ( 17.108 23.791 6.221) 29.957 2.387 ( 7.889 8.845 3.404) 12.331 2.491 ( 6.040 10.431 -0.633) 12.070 3.132 ( 0.006 2.444 0.742) 2.554 3.233 ( 6.999 9.024 -5.652) 12.743 4.395 ( -4.763 -6.610 1.475) 8.280 4.599 ( -1.848 -5.611 -3.996) 7.133 4.896 ( -6.717 -3.959 -1.155) 7.882 5.053 ( 0.008 -6.068 0.593) 6.097 5.108 ( -4.786 -11.813 0.863) 12.775 5.216 ( -3.019 -7.663 -2.241) 8.536 5.936 ( 3.895 3.229 -0.301) 5.068 6.002 ( 2.243 6.617 -0.608) 7.014 6.193 ( 0.516 7.401 1.808) 7.636 6.413 ( 6.910 10.971 -8.287) 15.387 10.162 ( -3.821 -6.220 5.110) 8.910 10.821 ( -5.614 -9.065 7.509) 13.041 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 3.546 4.707 5.051) 7.762 1.288 ( 5.285 2.586 4.803) 7.595 1.578 ( 1.918 1.752 8.602) 8.985 1.892 ( 10.939 20.903 -4.338) 23.988 2.481 ( 8.985 10.386 3.826) 14.256 2.627 ( 6.036 7.164 1.975) 9.573 2.743 ( 13.055 10.849 -0.553) 16.983 3.233 ( 5.424 9.515 1.224) 11.021 3.529 ( 17.828 14.947 -11.195) 25.818 4.246 ( -5.244 -7.494 1.685) 9.300 4.553 ( -0.774 -0.985 0.856) 1.518 4.728 ( -8.470 3.011 -1.690) 9.147 4.883 ( -7.045 -13.138 0.255) 14.910 4.975 ( -1.337 -7.158 1.269) 7.391 5.086 ( -3.640 -5.767 -3.687) 7.752 6.014 ( 2.983 1.539 -1.477) 3.667 6.103 ( 2.684 3.955 -0.775) 4.842 6.285 ( 1.856 4.990 2.843) 6.035 6.558 ( 4.037 4.735 -6.417) 8.939 10.049 ( -4.485 -4.799 4.360) 7.884 10.660 ( -6.962 -7.333 7.709) 12.715 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.882 2.338 3.232) 4.085 1.351 ( 0.476 -0.481 0.494) 0.838 1.629 ( -0.278 1.840 8.846) 9.040 2.306 ( 16.466 14.722 -1.038) 22.112 2.608 ( 1.280 0.833 0.617) 1.647 2.727 ( 0.164 5.103 1.165) 5.236 3.088 ( 14.287 11.776 -2.243) 18.650 3.425 ( 4.544 7.693 0.475) 8.948 3.929 ( 9.121 2.441 -7.964) 12.352 4.179 ( 10.592 6.311 -2.947) 12.677 4.397 ( -14.178 -0.416 1.301) 14.243 4.624 ( -8.237 -13.007 -0.141) 15.397 4.851 ( 6.052 8.841 0.870) 10.749 4.913 ( 1.949 -0.702 1.434) 2.520 4.969 ( -0.511 -3.545 -1.322) 3.818 6.050 ( 1.065 -1.392 -2.288) 2.882 6.139 ( -0.549 1.399 -2.136) 2.612 6.360 ( 1.472 2.428 3.288) 4.344 6.598 ( -0.068 -0.526 -2.429) 2.487 9.960 ( -3.057 -2.690 3.244) 5.206 10.499 ( -7.062 -6.162 6.303) 11.294 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 0.076 0.705 2.608) 2.702 1.328 ( -1.504 -0.426 -2.187) 2.688 1.664 ( -1.168 1.083 9.649) 9.780 2.592 ( -0.156 -1.874 1.419) 2.356 2.612 ( 5.569 0.351 -1.859) 5.882 2.860 ( 8.021 15.256 -0.047) 17.236 3.412 ( 12.468 9.353 -4.153) 16.130 3.536 ( 2.071 5.741 -0.858) 6.163 3.847 ( -2.979 -8.505 -1.150) 9.084 4.150 ( -15.315 1.007 1.955) 15.472 4.349 ( -8.876 -11.773 -0.851) 14.768 4.614 ( 16.772 11.358 -5.339) 20.947 4.789 ( -6.401 0.683 -1.069) 6.526 4.960 ( 8.206 1.424 -1.142) 8.406 5.306 ( 18.333 12.153 3.589) 22.286 5.966 ( -6.566 -3.982 -3.381) 8.391 6.140 ( 0.914 0.315 -2.636) 2.808 6.403 ( 1.027 0.047 3.417) 3.569 6.526 ( -5.130 -4.936 0.797) 7.163 9.915 ( -1.301 -1.048 2.078) 2.666 10.350 ( -6.223 -4.999 5.277) 9.569 ======================= Grid point 498 (158/189) ======================= q-point: ( 0.75 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -1.095 -0.339 -2.472) 2.725 1.304 ( -1.000 0.538 1.489) 1.873 1.668 ( -2.627 -0.691 10.847) 11.182 2.535 ( -3.504 -1.112 1.618) 4.016 2.654 ( 2.242 -0.851 -2.323) 3.339 3.181 ( 11.530 11.021 -1.316) 16.004 3.578 ( 0.259 -3.302 -2.855) 4.372 3.619 ( 1.471 6.583 -2.841) 7.319 3.784 ( 2.258 1.777 -1.930) 3.461 3.946 ( -9.648 3.661 2.923) 10.725 4.094 ( -7.417 -10.051 0.194) 12.493 4.705 ( -4.057 2.361 0.052) 4.694 4.798 ( 3.261 0.593 0.986) 3.458 5.282 ( 18.343 11.039 -7.222) 22.593 5.574 ( -3.951 -2.873 -0.445) 4.905 5.866 ( 4.954 3.860 -1.162) 6.386 6.149 ( 0.886 -0.208 -2.351) 2.522 6.348 ( -7.458 -6.945 2.893) 10.594 6.424 ( 0.705 -1.358 3.416) 3.743 9.903 ( -0.178 -0.204 0.819) 0.862 10.235 ( -4.328 -3.625 5.651) 7.988 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 12.897 7.457) 14.897 1.215 ( -0.000 6.368 8.880) 10.927 1.520 ( -0.000 7.508 5.038) 9.041 1.788 ( -0.000 22.221 -12.164) 25.333 2.187 ( -0.000 26.059 9.079) 27.595 2.434 ( -0.000 12.331 5.165) 13.369 2.547 ( -0.000 10.678 -0.143) 10.679 3.165 ( -0.000 5.593 1.268) 5.735 3.254 ( 0.000 11.242 -7.019) 13.254 4.369 ( 0.000 -8.177 1.346) 8.287 4.577 ( 0.000 -0.201 -3.182) 3.189 4.800 ( 0.000 -12.616 -1.984) 12.771 5.049 ( 0.000 -12.754 2.729) 13.043 5.076 ( -0.000 -0.352 0.815) 0.888 5.127 ( 0.000 -10.795 -1.900) 10.961 5.933 ( -0.000 4.177 0.163) 4.180 6.040 ( -0.000 4.611 -0.328) 4.623 6.267 ( -0.000 6.569 0.108) 6.570 6.451 ( -0.000 12.466 -7.479) 14.537 10.142 ( -0.000 -7.225 4.435) 8.478 10.795 ( -0.000 -9.789 6.337) 11.661 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 6.468 6.985 5.307) 10.899 1.284 ( 0.467 2.488 5.427) 5.988 1.610 ( 0.986 5.077 5.838) 7.799 1.982 ( 2.372 22.532 -9.444) 24.546 2.480 ( 5.832 11.909 4.938) 14.150 2.635 ( 3.979 11.168 3.256) 12.295 2.686 ( 6.712 11.047 1.793) 13.050 3.292 ( 2.144 14.151 3.557) 14.748 3.412 ( 9.036 14.858 -10.576) 20.354 4.254 ( -4.193 -8.231 1.198) 9.315 4.574 ( -1.022 3.141 -0.666) 3.370 4.737 ( 4.951 -7.181 -2.207) 8.997 4.870 ( -5.464 -13.402 1.412) 14.542 4.990 ( -7.775 -1.886 0.234) 8.004 5.041 ( 0.442 -8.284 -1.224) 8.386 5.995 ( 1.754 2.818 -0.122) 3.321 6.091 ( 2.194 2.316 0.152) 3.194 6.328 ( 0.293 5.385 0.498) 5.416 6.547 ( 1.583 7.155 -5.970) 9.452 10.066 ( -2.318 -6.055 3.475) 7.356 10.691 ( -3.513 -8.886 5.528) 11.039 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 1.076 2.383 3.628) 4.472 1.327 ( 1.871 -0.077 1.203) 2.226 1.678 ( 0.254 3.298 5.020) 6.012 2.255 ( 7.921 18.540 -3.996) 20.553 2.598 ( 1.240 0.591 1.946) 2.382 2.761 ( 2.969 6.261 0.206) 6.932 2.996 ( 11.243 14.476 1.322) 18.377 3.457 ( 2.503 8.963 1.299) 9.396 3.777 ( 13.355 15.443 -7.062) 21.604 4.126 ( -0.659 -1.544 0.218) 1.693 4.539 ( -4.111 -6.546 0.066) 7.730 4.655 ( -6.111 -8.871 0.810) 10.803 4.837 ( -0.981 -5.728 0.653) 5.847 4.856 ( 3.717 12.460 -0.880) 13.032 4.963 ( -1.360 -4.460 -1.503) 4.899 6.028 ( 0.657 0.673 -0.822) 1.249 6.135 ( 1.025 -0.685 0.260) 1.260 6.380 ( 0.470 3.035 1.280) 3.327 6.588 ( 0.060 1.220 -3.336) 3.553 9.985 ( -2.462 -3.805 2.400) 5.129 10.552 ( -5.100 -7.698 4.148) 10.123 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.276 -0.038 2.494) 2.510 1.338 ( -0.299 0.149 -1.430) 1.468 1.719 ( -0.481 2.016 5.018) 5.429 2.508 ( 6.591 6.032 -0.270) 8.939 2.601 ( -0.205 -0.714 -0.232) 0.779 2.901 ( 4.592 12.017 -0.170) 12.865 3.307 ( 10.131 10.922 -1.360) 14.959 3.567 ( 1.978 6.610 0.293) 6.906 3.816 ( -2.868 -6.882 -1.082) 7.534 4.327 ( -8.118 -8.103 -0.816) 11.499 4.430 ( 12.789 11.229 0.164) 17.020 4.475 ( -8.213 5.342 -2.756) 10.178 4.773 ( 3.655 -9.261 -0.197) 9.958 4.913 ( -0.878 2.221 -0.867) 2.541 5.175 ( 13.120 15.053 1.346) 20.014 6.018 ( -2.847 -0.489 -0.968) 3.047 6.113 ( 0.025 -3.084 -0.993) 3.240 6.404 ( -0.061 0.066 1.694) 1.697 6.546 ( -2.821 -4.027 -0.572) 4.950 9.931 ( -1.476 -1.802 1.436) 2.737 10.406 ( -5.264 -6.377 3.046) 8.812 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -0.925 -0.452 -1.268) 1.634 1.330 ( -0.795 0.749 0.572) 1.233 1.729 ( -1.581 -0.173 6.191) 6.392 2.574 ( -0.777 -1.107 2.202) 2.584 2.604 ( 1.682 0.817 -2.238) 2.917 3.133 ( 7.225 11.949 -0.232) 13.965 3.486 ( 4.954 -1.684 -2.210) 5.680 3.667 ( 1.420 8.211 -1.770) 8.519 3.763 ( 2.200 2.325 -0.680) 3.272 4.082 ( -9.257 -9.319 0.179) 13.136 4.268 ( -14.011 4.658 2.019) 14.902 4.739 ( 4.067 2.979 -0.800) 5.104 4.748 ( 1.842 -3.784 -0.135) 4.210 5.087 ( 14.762 12.797 -4.123) 19.967 5.519 ( 10.549 7.103 2.065) 12.884 5.906 ( -6.659 0.112 -2.350) 7.063 6.109 ( 2.374 -1.753 -1.135) 3.162 6.387 ( -2.459 -4.828 1.330) 5.579 6.419 ( -3.762 -5.546 1.975) 6.987 9.908 ( -0.483 -0.609 0.630) 1.001 10.280 ( -4.151 -4.948 3.067) 7.150 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -0.000 6.880 3.715) 7.819 1.313 ( -0.000 -0.061 5.113) 5.114 1.667 ( -0.000 4.826 2.990) 5.677 2.156 ( -0.000 23.492 -10.379) 25.682 2.537 ( -0.000 5.922 3.769) 7.019 2.694 ( -0.000 3.292 0.467) 3.325 2.770 ( -0.000 17.354 6.432) 18.508 3.399 ( -0.000 7.870 -4.210) 8.925 3.505 ( -0.000 26.353 0.559) 26.359 4.225 ( 0.000 -6.485 0.715) 6.525 4.523 ( 0.000 -14.129 -2.378) 14.327 4.704 ( -0.000 14.004 -1.436) 14.077 4.805 ( 0.000 -14.153 2.545) 14.380 4.929 ( 0.000 -7.331 -0.891) 7.385 5.053 ( 0.000 -2.305 0.035) 2.305 6.014 ( -0.000 3.669 0.846) 3.765 6.078 ( 0.000 -0.855 0.275) 0.898 6.372 ( -0.000 4.510 -1.055) 4.632 6.585 ( 0.000 5.321 -4.330) 6.861 10.036 ( 0.000 -5.659 2.309) 6.112 10.646 ( 0.000 -9.143 3.515) 9.796 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 2.609 3.126 1.536) 4.351 1.317 ( -0.101 -1.352 3.368) 3.631 1.716 ( 0.285 3.558 0.578) 3.615 2.358 ( 1.064 20.814 -6.229) 21.752 2.590 ( 0.981 0.086 2.549) 2.732 2.745 ( 3.912 3.000 -0.636) 4.971 3.015 ( 5.858 17.082 5.058) 18.753 3.474 ( 3.052 5.028 -3.322) 6.755 3.798 ( 3.347 17.759 2.392) 18.229 4.158 ( -2.037 3.862 0.303) 4.376 4.429 ( 4.675 -12.340 -1.697) 13.305 4.613 ( -5.089 -13.497 0.939) 14.455 4.855 ( 4.054 1.319 0.077) 4.264 4.934 ( -0.998 7.533 -0.571) 7.621 4.968 ( -4.341 3.057 -1.245) 5.453 6.028 ( -0.632 -0.484 0.082) 0.800 6.098 ( 2.427 -1.087 1.742) 3.178 6.406 ( -0.050 2.918 -1.022) 3.092 6.599 ( -0.901 0.863 -2.704) 2.977 9.983 ( -1.125 -4.002 1.201) 4.327 10.546 ( -2.449 -8.466 1.645) 8.966 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -0.187 -1.518 2.230) 2.704 1.330 ( 1.235 0.731 -0.552) 1.538 1.747 ( 0.230 1.882 -0.675) 2.013 2.514 ( 1.069 8.772 -1.452) 8.955 2.595 ( 0.050 -0.742 0.867) 1.143 2.906 ( 7.498 10.149 -1.083) 12.665 3.289 ( 6.181 13.439 2.316) 14.972 3.573 ( 3.983 4.644 -0.846) 6.176 3.808 ( -3.676 -5.741 0.438) 6.831 4.317 ( -2.256 -9.191 1.065) 9.523 4.413 ( 7.363 17.075 1.968) 18.699 4.485 ( 5.248 -6.770 -3.142) 9.124 4.770 ( -9.725 -1.849 0.426) 9.908 4.908 ( 2.266 0.104 0.029) 2.268 5.187 ( 5.452 19.635 -1.253) 20.417 6.013 ( 1.446 -3.294 0.092) 3.598 6.101 ( -1.658 -1.849 1.412) 2.857 6.414 ( -0.732 0.300 -0.412) 0.892 6.549 ( -2.522 -3.939 -1.274) 4.847 9.937 ( -1.048 -2.151 0.403) 2.426 10.420 ( -3.568 -7.263 0.294) 8.097 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -0.455 -0.789 -0.000) 0.911 1.342 ( 0.133 0.230 0.000) 0.265 1.753 ( -0.302 -0.524 0.000) 0.605 2.564 ( 0.393 0.681 0.000) 0.786 2.602 ( 0.639 1.107 -0.000) 1.278 3.140 ( 6.657 11.530 -0.000) 13.314 3.420 ( -0.081 -0.140 -0.000) 0.161 3.696 ( 4.023 6.969 -0.000) 8.047 3.752 ( 1.276 2.210 0.000) 2.552 4.121 ( -5.984 -10.365 0.000) 11.969 4.510 ( -0.034 -0.059 -0.000) 0.068 4.616 ( -2.177 -3.771 -0.000) 4.354 4.709 ( 4.247 7.356 0.000) 8.494 5.028 ( 7.453 12.909 -0.000) 14.906 5.458 ( 7.278 12.605 -0.000) 14.555 6.013 ( -2.876 -4.981 -0.000) 5.752 6.030 ( 0.546 0.945 0.000) 1.091 6.381 ( -1.653 -2.863 -0.000) 3.306 6.431 ( -4.434 -7.680 0.000) 8.868 9.910 ( -0.484 -0.839 -0.000) 0.969 10.297 ( -3.381 -5.856 -0.000) 6.761 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -0.000 2.532 0.002) 2.532 1.311 ( -0.000 -2.333 3.297) 4.038 1.739 ( 0.000 2.557 -3.509) 4.342 2.558 ( -0.000 23.041 -5.751) 23.748 2.585 ( -0.000 -0.923 2.881) 3.025 2.705 ( 0.000 -1.336 -0.846) 1.581 3.155 ( -0.000 17.446 6.126) 18.490 3.474 ( 0.000 3.683 -2.940) 4.712 3.907 ( -0.000 1.661 4.844) 5.121 4.229 ( 0.000 -14.246 -3.097) 14.579 4.301 ( -0.000 21.748 1.652) 21.810 4.540 ( 0.000 -14.595 2.026) 14.735 4.771 ( 0.000 -4.791 0.866) 4.868 4.999 ( 0.000 -1.781 -1.114) 2.101 5.115 ( -0.000 23.169 -2.960) 23.357 6.009 ( 0.000 -6.983 1.905) 7.238 6.083 ( -0.000 2.559 1.686) 3.064 6.429 ( 0.000 2.458 -2.212) 3.307 6.596 ( 0.000 -2.243 -1.719) 2.826 9.958 ( 0.000 -3.166 0.101) 3.167 10.485 ( 0.000 -8.285 -0.702) 8.315 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.101 -1.984 2.358) 3.084 1.313 ( 1.114 0.657 -0.800) 1.521 1.743 ( 0.440 0.848 -6.103) 6.177 2.583 ( 0.102 -0.614 2.408) 2.487 2.617 ( -3.937 3.954 -2.030) 5.937 2.869 ( 8.584 14.253 -1.902) 16.747 3.366 ( 2.879 14.916 5.074) 16.016 3.536 ( 3.945 3.706 -0.874) 5.483 3.830 ( -5.084 -6.043 1.972) 8.140 4.171 ( 7.879 -12.407 -2.334) 14.882 4.335 ( -5.319 -12.354 2.067) 13.609 4.576 ( 2.217 21.563 2.015) 21.770 4.777 ( 3.846 -4.481 1.229) 6.031 4.956 ( -3.751 4.683 -0.114) 6.001 5.339 ( 0.791 22.099 -3.128) 22.334 5.939 ( 0.592 -8.452 2.313) 8.783 6.116 ( 0.116 1.011 2.099) 2.333 6.432 ( -0.973 1.000 -2.288) 2.680 6.536 ( -1.834 -6.153 -1.319) 6.554 9.929 ( -0.416 -1.858 -0.559) 1.985 10.389 ( -1.634 -7.357 -2.416) 7.914 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -0.000 -1.963 3.227) 3.778 1.304 ( 0.000 0.301 -2.171) 2.192 1.713 ( 0.000 -0.694 -9.864) 9.889 2.566 ( 0.000 -3.118 0.638) 3.183 2.667 ( -0.000 -0.773 0.714) 1.052 2.959 ( -0.000 20.263 -1.239) 20.301 3.502 ( -0.000 12.999 5.990) 14.313 3.534 ( -0.000 3.777 0.598) 3.824 3.853 ( -0.000 -5.190 3.561) 6.294 3.936 ( 0.000 -12.659 -4.643) 13.484 4.275 ( 0.000 -13.384 1.080) 13.428 4.691 ( 0.000 -3.800 0.036) 3.800 4.742 ( -0.000 11.855 1.554) 11.957 5.076 ( -0.000 14.991 3.198) 15.328 5.526 ( -0.000 16.988 -3.218) 17.290 5.856 ( 0.000 -7.893 3.538) 8.650 6.135 ( -0.000 1.299 2.452) 2.775 6.443 ( 0.000 0.909 -3.176) 3.304 6.473 ( 0.000 -9.210 -1.667) 9.359 9.914 ( 0.000 -1.096 -1.042) 1.512 10.321 ( 0.000 -6.686 -4.544) 8.084 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( -0.000 -0.000 16.002) 16.002 0.586 ( -0.000 -0.000 16.002) 16.002 1.172 ( 0.000 0.000 -11.626) 11.626 1.172 ( 0.000 0.000 -11.626) 11.626 1.573 ( -0.000 -0.000 27.162) 27.162 2.227 ( -0.000 -0.000 0.959) 0.959 2.227 ( -0.000 -0.000 0.959) 0.959 3.059 ( 0.000 0.000 -1.744) 1.744 3.164 ( -0.000 -0.000 0.301) 0.301 4.595 ( -0.000 -0.000 0.253) 0.253 4.766 ( 0.000 0.000 -10.709) 10.709 5.073 ( 0.000 0.000 -0.304) 0.304 5.073 ( 0.000 0.000 -0.304) 0.304 5.397 ( 0.000 -0.000 0.586) 0.586 5.397 ( -0.000 -0.000 0.586) 0.586 5.837 ( 0.000 0.000 -0.037) 0.037 5.837 ( 0.000 0.000 -0.037) 0.037 6.029 ( -0.000 -0.000 1.454) 1.454 6.029 ( -0.000 -0.000 1.454) 1.454 10.312 ( -0.000 -0.000 5.574) 5.574 11.065 ( 0.000 0.000 -1.877) 1.877 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 18.436 10.644 10.240) 23.623 0.889 ( 12.614 7.282 13.765) 20.040 1.156 ( 9.111 5.260 -11.225) 15.385 1.450 ( 14.306 8.259 -6.788) 17.859 1.755 ( 12.731 7.350 18.060) 23.287 2.279 ( 6.097 3.520 2.259) 7.393 2.329 ( 7.471 4.313 -0.593) 8.647 3.090 ( 2.885 1.666 -1.853) 3.812 3.154 ( 0.216 0.124 -0.184) 0.309 4.504 ( -6.658 -3.844 1.314) 7.799 4.677 ( -3.950 -2.280 -7.809) 9.044 4.963 ( -7.969 -4.601 0.708) 9.229 5.122 ( 1.841 1.063 -1.824) 2.801 5.276 ( -7.355 -4.246 0.847) 8.535 5.336 ( -7.258 -4.191 -0.870) 8.426 5.877 ( 3.495 2.018 -0.798) 4.114 5.888 ( 4.804 2.773 0.180) 5.550 6.085 ( 4.716 2.723 2.597) 6.033 6.214 ( 11.541 6.663 -3.233) 13.713 10.272 ( -4.873 -2.813 5.038) 7.553 10.972 ( -6.979 -4.029 1.912) 8.283 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.893 3.403 2.835) 7.372 1.228 ( 9.764 5.637 6.055) 12.797 1.519 ( 21.563 12.450 -0.018) 24.899 1.597 ( 1.887 1.090 3.498) 4.122 2.248 ( 21.493 12.409 4.929) 25.303 2.496 ( 10.911 6.300 2.350) 12.816 2.555 ( 12.884 7.439 -2.239) 15.045 3.133 ( 3.009 1.737 0.875) 3.583 3.284 ( 12.627 7.290 -6.484) 15.957 4.360 ( -6.512 -3.760 1.921) 7.761 4.589 ( -0.731 -0.422 -4.507) 4.585 4.745 ( -11.365 -6.562 1.324) 13.190 5.069 ( -6.833 -3.945 1.869) 8.108 5.116 ( -11.257 -6.499 -1.220) 13.056 5.147 ( -2.893 -1.670 -3.961) 5.182 5.966 ( 4.337 2.504 -1.859) 5.342 6.018 ( 5.549 3.204 -0.027) 6.408 6.212 ( 5.160 2.979 3.361) 6.841 6.437 ( 8.936 5.159 -4.868) 11.409 10.151 ( -6.599 -3.810 4.183) 8.692 10.805 ( -8.600 -4.965 5.158) 11.190 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 3.476 2.007 1.482) 4.278 1.354 ( 1.321 0.763 1.103) 1.882 1.635 ( 0.830 0.479 6.291) 6.364 2.023 ( 22.382 12.922 2.289) 25.945 2.561 ( 5.958 3.440 1.293) 7.000 2.679 ( 3.342 1.929 1.673) 4.206 2.872 ( 15.692 9.060 -3.664) 18.486 3.297 ( 9.177 5.298 2.502) 10.888 3.667 ( 23.242 13.419 -11.880) 29.350 4.221 ( -5.756 -3.323 1.173) 6.749 4.478 ( -12.739 -7.355 1.969) 14.840 4.684 ( 10.461 6.040 0.364) 12.085 4.844 ( -12.434 -7.179 -1.326) 14.418 4.924 ( -5.305 -3.063 -0.114) 6.126 5.061 ( -4.044 -2.335 -0.956) 4.766 6.048 ( 3.498 2.020 -2.444) 4.721 6.093 ( 0.819 0.473 -1.599) 1.858 6.324 ( 3.715 2.145 3.599) 5.600 6.570 ( 3.887 2.244 -2.442) 5.110 10.028 ( -5.135 -2.965 3.135) 6.707 10.628 ( -8.599 -4.964 5.121) 11.171 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 1.570 0.907 1.817) 2.567 1.338 ( -1.783 -1.030 -2.118) 2.954 1.680 ( 0.741 0.428 8.315) 8.359 2.518 ( 20.868 12.048 2.367) 24.212 2.608 ( -0.375 -0.217 -1.707) 1.761 2.694 ( -1.228 -0.709 1.297) 1.922 3.210 ( 15.342 8.857 -4.910) 18.383 3.455 ( 4.444 2.566 0.742) 5.185 3.960 ( -1.431 -0.826 -5.314) 5.565 4.198 ( -12.850 -7.419 3.089) 15.156 4.333 ( 21.357 12.330 -5.194) 25.202 4.557 ( -12.745 -7.358 -1.443) 14.787 4.781 ( -4.013 -2.317 -1.217) 4.790 4.986 ( -1.652 -0.954 1.408) 2.371 5.084 ( 19.389 11.194 3.423) 22.648 6.033 ( -5.401 -3.119 -3.142) 6.984 6.105 ( 2.306 1.332 -2.590) 3.715 6.400 ( 2.079 1.201 3.474) 4.223 6.587 ( -2.209 -1.275 0.243) 2.562 9.949 ( -2.747 -1.586 2.040) 3.772 10.460 ( -7.692 -4.441 4.373) 9.900 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 10.365 12.543) 16.271 1.024 ( -0.000 16.672 10.665) 19.791 1.251 ( -0.000 20.015 -6.895) 21.169 1.348 ( 0.000 18.134 -12.899) 22.253 1.811 ( -0.000 11.167 17.378) 20.656 2.273 ( -0.000 5.581 2.817) 6.251 2.334 ( -0.000 8.979 -0.976) 9.031 3.087 ( -0.000 4.278 -2.178) 4.801 3.150 ( 0.000 -1.100 0.267) 1.132 4.520 ( 0.000 -6.562 1.667) 6.770 4.638 ( 0.000 -5.578 -7.430) 9.291 5.000 ( 0.000 -7.972 -1.525) 8.117 5.073 ( -0.000 0.676 0.971) 1.183 5.279 ( 0.000 -9.562 2.395) 9.857 5.322 ( 0.000 -8.889 -1.214) 8.971 5.862 ( -0.000 2.835 0.157) 2.840 5.913 ( -0.000 7.049 -1.163) 7.144 6.131 ( -0.000 6.948 0.018) 6.948 6.175 ( -0.000 12.517 -1.075) 12.563 10.288 ( -0.000 -5.592 4.398) 7.114 10.978 ( 0.000 -6.973 1.014) 7.046 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 12.501 7.140 8.134) 16.535 1.177 ( 1.750 10.191 1.391) 10.433 1.446 ( 5.888 18.118 2.587) 19.226 1.591 ( 5.566 11.017 -6.436) 13.920 2.129 ( 13.287 21.430 7.745) 26.377 2.422 ( 7.336 9.690 3.369) 12.612 2.479 ( 5.776 10.693 -1.838) 12.292 3.139 ( 0.237 3.415 0.821) 3.520 3.183 ( 5.506 6.002 -4.240) 9.182 4.412 ( -4.686 -6.875 1.661) 8.485 4.557 ( -0.883 -3.233 -3.949) 5.180 4.886 ( -5.559 -5.447 -0.701) 7.814 5.054 ( -0.340 -4.793 -0.173) 4.808 5.120 ( -6.197 -11.497 1.236) 13.119 5.198 ( -3.862 -7.985 -1.387) 8.978 5.934 ( 3.214 3.295 0.029) 4.603 5.993 ( 2.542 6.831 -0.895) 7.343 6.210 ( 1.785 6.701 1.410) 7.077 6.358 ( 6.342 9.649 -3.451) 12.051 10.205 ( -3.832 -6.448 3.316) 8.201 10.870 ( -4.584 -7.570 2.856) 9.299 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.211 5.530 1.054) 6.049 1.319 ( 4.357 1.650 1.594) 4.925 1.640 ( 2.126 2.318 3.755) 4.898 1.868 ( 14.342 19.115 0.084) 23.897 2.515 ( 7.487 9.825 2.279) 12.561 2.644 ( 5.547 6.381 1.354) 8.563 2.731 ( 11.914 12.400 -1.825) 17.293 3.259 ( 5.503 10.480 4.160) 12.547 3.426 ( 16.080 13.076 -9.584) 22.834 4.259 ( -5.218 -7.662 0.906) 9.314 4.559 ( 1.526 0.841 0.593) 1.841 4.716 ( -8.638 1.953 -0.509) 8.870 4.884 ( -7.743 -12.648 -0.133) 14.830 4.985 ( -0.691 -7.201 0.835) 7.282 5.055 ( -4.251 -5.220 -2.581) 7.210 6.003 ( 2.289 1.818 -0.884) 3.054 6.096 ( 2.040 4.088 -0.649) 4.615 6.310 ( 2.669 4.347 2.221) 5.564 6.516 ( 4.873 4.782 -2.397) 7.236 10.082 ( -4.522 -5.082 2.214) 7.154 10.712 ( -6.513 -7.219 3.109) 10.207 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.836 3.006 1.027) 3.285 1.344 ( -0.599 -0.982 -1.836) 2.166 1.697 ( 1.202 1.847 4.538) 5.045 2.314 ( 17.358 13.352 2.687) 22.063 2.608 ( 0.118 0.650 -0.875) 1.097 2.737 ( 0.303 4.700 0.958) 4.806 3.058 ( 13.033 12.635 -3.787) 18.543 3.442 ( 3.306 6.735 2.829) 8.019 3.849 ( 13.608 8.604 -7.384) 17.712 4.163 ( 5.723 1.666 -0.776) 6.011 4.412 ( -13.779 -1.358 1.627) 13.941 4.620 ( -8.661 -12.169 -0.566) 14.948 4.855 ( 2.172 6.403 0.100) 6.762 4.926 ( 5.180 2.230 1.082) 5.743 4.962 ( 2.346 -3.768 -0.020) 4.439 6.033 ( 0.357 -1.146 -1.022) 1.576 6.118 ( -1.487 1.719 -2.144) 3.124 6.389 ( 2.016 1.917 2.424) 3.689 6.586 ( 1.014 -0.262 -0.012) 1.048 9.983 ( -3.120 -2.969 1.248) 4.484 10.542 ( -6.733 -6.379 2.452) 9.593 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -0.000 10.624 7.541) 13.029 1.274 ( -0.000 6.599 2.850) 7.188 1.560 ( -0.000 8.765 3.773) 9.543 1.666 ( -0.000 22.843 -12.123) 25.860 2.265 ( -0.000 23.067 5.717) 23.765 2.484 ( -0.000 13.391 4.782) 14.219 2.540 ( -0.000 11.727 -1.503) 11.822 3.173 ( -0.000 6.128 -1.353) 6.276 3.204 ( -0.000 9.263 -1.142) 9.333 4.379 ( 0.000 -8.366 0.594) 8.387 4.550 ( 0.000 1.368 -1.632) 2.130 4.780 ( 0.000 -12.768 -2.023) 12.927 5.076 ( 0.000 -12.787 2.625) 13.053 5.086 ( -0.000 -0.977 1.130) 1.494 5.111 ( 0.000 -10.462 -1.286) 10.541 5.938 ( -0.000 4.299 0.827) 4.378 6.033 ( -0.000 5.169 -1.093) 5.283 6.261 ( -0.000 6.443 -1.325) 6.578 6.406 ( -0.000 11.259 -1.979) 11.431 10.175 ( 0.000 -7.540 2.092) 7.825 10.834 ( 0.000 -8.871 1.904) 9.073 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 5.447 5.462 3.047) 8.294 1.319 ( -0.550 3.153 1.677) 3.613 1.648 ( 1.468 4.017 1.849) 4.659 1.901 ( 5.442 22.883 -6.335) 24.359 2.517 ( 5.134 10.822 2.040) 12.151 2.651 ( 2.272 8.177 0.173) 8.488 2.709 ( 6.687 15.194 2.541) 16.794 3.316 ( 5.954 9.845 -6.515) 13.222 3.347 ( 4.300 19.559 5.339) 20.726 4.262 ( -4.126 -8.364 0.293) 9.331 4.566 ( -0.157 3.396 -0.810) 3.495 4.719 ( 5.254 -7.064 -1.157) 8.879 4.880 ( -6.250 -13.319 0.719) 14.730 4.991 ( -6.932 -3.042 -0.218) 7.573 5.038 ( -0.870 -7.254 0.753) 7.344 5.996 ( 1.111 2.758 0.424) 3.003 6.092 ( 2.417 3.088 0.156) 3.924 6.326 ( 1.355 4.931 -0.881) 5.189 6.511 ( 1.636 7.032 -1.495) 7.373 10.089 ( -2.272 -6.386 0.888) 6.836 10.722 ( -3.220 -8.926 1.012) 9.543 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 1.531 2.651 -0.000) 3.062 1.332 ( -0.133 -0.230 0.000) 0.266 1.703 ( 1.411 2.445 0.000) 2.823 2.234 ( 10.282 17.808 -0.000) 20.563 2.609 ( 0.293 0.508 0.000) 0.587 2.762 ( 3.319 5.749 -0.000) 6.638 3.002 ( 9.057 15.688 -0.000) 18.115 3.465 ( 3.852 6.672 -0.000) 7.705 3.739 ( 11.311 19.592 0.000) 22.623 4.128 ( -1.366 -2.367 -0.000) 2.733 4.539 ( -4.025 -6.972 -0.000) 8.051 4.659 ( -5.486 -9.502 -0.000) 10.972 4.840 ( -3.530 -6.115 -0.000) 7.061 4.850 ( 7.463 12.926 -0.000) 14.926 4.956 ( -2.214 -3.835 0.000) 4.428 6.024 ( 0.412 0.714 -0.000) 0.825 6.136 ( 0.025 0.043 -0.000) 0.049 6.387 ( 1.427 2.471 -0.000) 2.853 6.571 ( 0.723 1.253 0.000) 1.447 9.998 ( -2.358 -4.085 -0.000) 4.717 10.572 ( -4.678 -8.103 -0.000) 9.356 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.000 5.181 1.641) 5.434 1.349 ( -0.000 0.154 2.190) 2.195 1.674 ( -0.000 3.208 -1.548) 3.562 2.069 ( -0.000 24.861 -7.008) 25.830 2.562 ( -0.000 5.738 1.228) 5.868 2.692 ( -0.000 3.443 -0.899) 3.559 2.828 ( -0.000 17.735 5.209) 18.485 3.339 ( 0.000 9.626 -5.937) 11.310 3.562 ( -0.000 26.067 9.000) 27.577 4.228 ( 0.000 -6.740 -0.155) 6.742 4.499 ( 0.000 -14.384 -2.309) 14.568 4.691 ( -0.000 13.598 -1.074) 13.641 4.828 ( 0.000 -14.261 2.052) 14.408 4.924 ( 0.000 -6.795 -0.139) 6.797 5.054 ( 0.000 -3.245 0.346) 3.264 6.027 ( -0.000 3.811 1.732) 4.186 6.082 ( -0.000 -0.096 0.631) 0.638 6.355 ( -0.000 4.415 -2.517) 5.082 6.561 ( -0.000 5.236 -0.646) 5.275 10.046 ( 0.000 -5.957 -0.396) 5.971 10.658 ( 0.000 -9.533 -0.927) 9.578 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 -0.000 16.052) 16.052 0.744 ( -0.000 -0.000 16.052) 16.052 1.046 ( 0.000 0.000 -13.942) 13.942 1.046 ( 0.000 0.000 -13.942) 13.942 1.784 ( -0.000 -0.000 15.006) 15.006 2.235 ( -0.000 -0.000 0.607) 0.607 2.235 ( -0.000 -0.000 0.607) 0.607 3.044 ( 0.000 0.000 -1.221) 1.221 3.167 ( -0.000 -0.000 0.232) 0.232 4.601 ( -0.000 -0.000 0.987) 0.987 4.674 ( 0.000 0.000 -7.612) 7.612 5.071 ( 0.000 0.000 -0.165) 0.165 5.071 ( 0.000 -0.000 -0.165) 0.165 5.402 ( -0.000 -0.000 0.314) 0.314 5.402 ( -0.000 0.000 0.314) 0.314 5.836 ( 0.000 0.000 -0.065) 0.065 5.836 ( 0.000 0.000 -0.065) 0.065 6.041 ( -0.000 -0.000 0.902) 0.902 6.041 ( -0.000 -0.000 0.902) 0.902 10.361 ( -0.000 -0.000 3.836) 3.836 11.046 ( 0.000 0.000 -1.626) 1.626 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 15.517 8.959 10.426) 20.730 0.973 ( 4.921 2.841 -3.800) 6.836 1.094 ( 16.922 9.770 5.739) 20.365 1.351 ( 19.107 11.031 -11.645) 24.948 1.900 ( 8.635 4.986 9.440) 13.731 2.301 ( 6.551 3.782 2.148) 7.864 2.319 ( 6.757 3.901 -1.549) 7.955 3.074 ( 3.076 1.776 -1.110) 3.721 3.153 ( -0.672 -0.388 -0.044) 0.777 4.522 ( -6.300 -3.637 2.258) 7.617 4.607 ( -3.027 -1.748 -5.804) 6.775 4.973 ( -7.662 -4.424 1.153) 8.922 5.103 ( 1.540 0.889 -1.914) 2.612 5.290 ( -7.984 -4.609 1.772) 9.388 5.323 ( -7.499 -4.330 -1.747) 8.834 5.870 ( 3.022 1.745 -0.676) 3.554 5.892 ( 5.055 2.918 0.662) 5.874 6.109 ( 5.197 3.001 2.156) 6.377 6.190 ( 9.979 5.761 -1.830) 11.667 10.311 ( -5.011 -2.893 2.556) 6.325 10.981 ( -5.140 -2.968 0.251) 5.940 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 6.782 3.916 -4.496) 9.030 1.273 ( 7.728 4.462 2.739) 9.334 1.562 ( 21.197 12.238 8.283) 25.840 1.595 ( 5.384 3.109 -2.797) 6.817 2.286 ( 19.716 11.383 1.520) 22.816 2.520 ( 10.668 6.159 2.345) 12.539 2.526 ( 12.324 7.115 -3.644) 14.690 3.147 ( 4.008 2.314 2.238) 5.141 3.229 ( 9.710 5.606 -4.505) 12.083 4.377 ( -6.918 -3.994 1.184) 8.076 4.553 ( 0.876 0.506 -2.271) 2.486 4.761 ( -11.206 -6.470 1.772) 13.060 5.086 ( -6.134 -3.541 1.357) 7.212 5.100 ( -11.161 -6.444 -2.071) 13.053 5.115 ( -3.747 -2.164 -2.315) 4.908 5.950 ( 3.974 2.294 -1.439) 4.809 6.022 ( 5.006 2.890 0.876) 5.847 6.242 ( 5.399 3.117 2.595) 6.753 6.406 ( 9.055 5.228 -1.639) 10.584 10.180 ( -6.650 -3.839 1.312) 7.790 10.836 ( -7.712 -4.453 1.386) 9.012 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -0.000 7.741 12.837) 14.990 1.059 ( -0.000 13.469 -5.285) 14.469 1.213 ( 0.000 18.633 -14.074) 23.350 1.245 ( -0.000 25.352 7.747) 26.510 1.924 ( -0.000 9.524 4.754) 10.644 2.299 ( -0.000 6.752 2.397) 7.164 2.320 ( -0.000 8.256 -1.758) 8.441 3.072 ( -0.000 3.689 -0.731) 3.761 3.153 ( 0.000 -1.107 0.156) 1.118 4.536 ( 0.000 -7.033 0.844) 7.084 4.583 ( 0.000 -3.683 -2.481) 4.441 4.985 ( 0.000 -8.427 -1.449) 8.551 5.086 ( -0.000 1.148 1.493) 1.883 5.303 ( 0.000 -9.063 2.289) 9.347 5.308 ( 0.000 -9.195 -1.718) 9.354 5.865 ( -0.000 3.069 0.416) 3.097 5.901 ( -0.000 6.458 -1.125) 6.555 6.126 ( -0.000 6.532 -1.157) 6.634 6.176 ( -0.000 11.151 0.980) 11.194 10.318 ( 0.000 -5.793 1.290) 5.935 10.982 ( 0.000 -5.577 0.012) 5.577 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 4.707 8.152 0.000) 9.414 1.170 ( 6.219 10.772 -0.000) 12.438 1.480 ( 10.461 18.119 0.000) 20.922 1.538 ( 5.820 10.081 -0.000) 11.641 2.171 ( 11.642 20.165 -0.000) 23.284 2.448 ( 6.331 10.965 -0.000) 12.661 2.460 ( 5.873 10.172 0.000) 11.745 3.149 ( 3.781 6.549 0.000) 7.562 3.155 ( 1.258 2.179 -0.000) 2.516 4.422 ( -4.387 -7.599 -0.000) 8.775 4.535 ( -0.909 -1.575 0.000) 1.818 4.883 ( -3.895 -6.747 -0.000) 7.790 5.053 ( -2.014 -3.488 -0.000) 4.027 5.127 ( -6.709 -11.621 -0.000) 13.419 5.190 ( -4.422 -7.659 0.000) 8.844 5.935 ( 2.167 3.753 -0.000) 4.333 5.988 ( 3.665 6.349 -0.000) 7.331 6.217 ( 3.331 5.770 -0.000) 6.662 6.341 ( 5.518 9.557 0.000) 11.036 10.222 ( -3.802 -6.584 -0.000) 7.603 10.883 ( -4.084 -7.074 -0.000) 8.168 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 0.000 -0.000) 0.000 0.897 ( 0.000 0.000 -0.000) 0.000 0.904 ( -0.000 -0.000 0.000) 0.000 0.904 ( -0.000 -0.000 0.000) 0.000 1.859 ( 0.000 0.000 -0.000) 0.000 2.238 ( -0.000 -0.000 0.000) 0.000 2.238 ( -0.000 -0.000 0.000) 0.000 3.038 ( -0.000 -0.000 0.000) 0.000 3.168 ( 0.000 0.000 -0.000) 0.000 4.620 ( -0.000 -0.000 0.000) 0.000 4.620 ( 0.000 0.000 -0.000) 0.000 5.070 ( -0.000 0.000 0.000) 0.000 5.070 ( -0.000 -0.000 0.000) 0.000 5.404 ( -0.000 0.000 0.000) 0.000 5.404 ( -0.000 -0.000 0.000) 0.000 5.836 ( -0.000 -0.000 0.000) 0.000 5.836 ( -0.000 -0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.046 ( -0.000 -0.000 0.000) 0.000 10.381 ( -0.000 -0.000 0.000) 0.000 11.038 ( 0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36288 10.0 452.794 452.794 601.658 0.000 -0.000 -0.000 3/36288 20.0 136.284 136.284 157.331 0.000 -0.000 -0.000 3/36288 30.0 50.617 50.617 60.959 0.000 -0.000 -0.000 3/36288 40.0 26.295 26.295 31.545 0.000 -0.000 -0.000 3/36288 50.0 16.891 16.891 19.782 0.000 -0.000 -0.000 3/36288 60.0 12.322 12.322 14.017 0.000 -0.000 -0.000 3/36288 70.0 9.719 9.719 10.754 0.000 -0.000 -0.000 3/36288 80.0 8.057 8.057 8.707 0.000 -0.000 -0.000 3/36288 90.0 6.905 6.905 7.320 0.000 -0.000 -0.000 3/36288 100.0 6.058 6.058 6.325 0.000 -0.000 -0.000 3/36288 110.0 5.407 5.407 5.578 0.000 -0.000 -0.000 3/36288 120.0 4.889 4.889 4.997 0.000 -0.000 -0.000 3/36288 130.0 4.467 4.467 4.532 0.000 -0.000 -0.000 3/36288 140.0 4.115 4.115 4.151 0.000 -0.000 -0.000 3/36288 150.0 3.816 3.816 3.833 0.000 -0.000 -0.000 3/36288 160.0 3.560 3.560 3.563 0.000 -0.000 -0.000 3/36288 170.0 3.337 3.337 3.330 0.000 -0.000 -0.000 3/36288 180.0 3.141 3.141 3.127 0.000 -0.000 -0.000 3/36288 190.0 2.967 2.967 2.949 0.000 -0.000 -0.000 3/36288 200.0 2.812 2.812 2.790 0.000 -0.000 -0.000 3/36288 210.0 2.673 2.673 2.649 0.000 -0.000 -0.000 3/36288 220.0 2.547 2.547 2.521 0.000 -0.000 -0.000 3/36288 230.0 2.433 2.433 2.406 0.000 -0.000 -0.000 3/36288 240.0 2.329 2.329 2.301 0.000 -0.000 -0.000 3/36288 250.0 2.233 2.233 2.206 0.000 -0.000 -0.000 3/36288 260.0 2.145 2.145 2.118 0.000 -0.000 -0.000 3/36288 270.0 2.064 2.064 2.037 0.000 -0.000 -0.000 3/36288 280.0 1.989 1.989 1.962 0.000 -0.000 -0.000 3/36288 290.0 1.919 1.919 1.892 0.000 -0.000 -0.000 3/36288 300.0 1.854 1.854 1.827 0.000 -0.000 -0.000 3/36288 310.0 1.793 1.793 1.767 0.000 -0.000 -0.000 3/36288 320.0 1.736 1.736 1.711 0.000 -0.000 -0.000 3/36288 330.0 1.683 1.683 1.658 0.000 -0.000 -0.000 3/36288 340.0 1.633 1.633 1.608 0.000 -0.000 -0.000 3/36288 350.0 1.585 1.585 1.561 0.000 -0.000 -0.000 3/36288 360.0 1.541 1.541 1.517 0.000 -0.000 -0.000 3/36288 370.0 1.499 1.499 1.476 0.000 -0.000 -0.000 3/36288 380.0 1.459 1.459 1.436 0.000 -0.000 -0.000 3/36288 390.0 1.421 1.421 1.399 0.000 -0.000 -0.000 3/36288 400.0 1.385 1.385 1.364 0.000 -0.000 -0.000 3/36288 410.0 1.351 1.351 1.330 0.000 -0.000 -0.000 3/36288 420.0 1.319 1.319 1.298 0.000 -0.000 -0.000 3/36288 430.0 1.288 1.288 1.267 0.000 -0.000 -0.000 3/36288 440.0 1.258 1.258 1.238 0.000 -0.000 -0.000 3/36288 450.0 1.230 1.230 1.211 0.000 -0.000 -0.000 3/36288 460.0 1.203 1.203 1.184 0.000 -0.000 -0.000 3/36288 470.0 1.178 1.178 1.159 0.000 -0.000 -0.000 3/36288 480.0 1.153 1.153 1.134 0.000 -0.000 -0.000 3/36288 490.0 1.129 1.129 1.111 0.000 -0.000 -0.000 3/36288 500.0 1.107 1.107 1.089 0.000 -0.000 -0.000 3/36288 510.0 1.085 1.085 1.067 0.000 -0.000 -0.000 3/36288 520.0 1.064 1.064 1.046 0.000 -0.000 -0.000 3/36288 530.0 1.044 1.044 1.027 0.000 -0.000 -0.000 3/36288 540.0 1.024 1.024 1.008 0.000 -0.000 -0.000 3/36288 550.0 1.005 1.005 0.989 0.000 -0.000 -0.000 3/36288 560.0 0.987 0.987 0.971 0.000 -0.000 -0.000 3/36288 570.0 0.970 0.970 0.954 0.000 -0.000 -0.000 3/36288 580.0 0.953 0.953 0.938 0.000 -0.000 -0.000 3/36288 590.0 0.937 0.937 0.922 0.000 -0.000 -0.000 3/36288 600.0 0.921 0.921 0.906 0.000 -0.000 -0.000 3/36288 610.0 0.906 0.906 0.891 0.000 -0.000 -0.000 3/36288 620.0 0.892 0.892 0.877 0.000 -0.000 -0.000 3/36288 630.0 0.877 0.877 0.863 0.000 -0.000 -0.000 3/36288 640.0 0.864 0.864 0.849 0.000 -0.000 -0.000 3/36288 650.0 0.850 0.850 0.836 0.000 -0.000 -0.000 3/36288 660.0 0.837 0.837 0.824 0.000 -0.000 -0.000 3/36288 670.0 0.825 0.825 0.811 0.000 -0.000 -0.000 3/36288 680.0 0.813 0.813 0.799 0.000 -0.000 -0.000 3/36288 690.0 0.801 0.801 0.788 0.000 -0.000 -0.000 3/36288 700.0 0.789 0.789 0.776 0.000 -0.000 -0.000 3/36288 710.0 0.778 0.778 0.765 0.000 -0.000 -0.000 3/36288 720.0 0.767 0.767 0.755 0.000 -0.000 -0.000 3/36288 730.0 0.757 0.757 0.744 0.000 -0.000 -0.000 3/36288 740.0 0.747 0.747 0.734 0.000 -0.000 -0.000 3/36288 750.0 0.737 0.737 0.725 0.000 -0.000 -0.000 3/36288 760.0 0.727 0.727 0.715 0.000 -0.000 -0.000 3/36288 770.0 0.717 0.717 0.706 0.000 -0.000 -0.000 3/36288 780.0 0.708 0.708 0.697 0.000 -0.000 -0.000 3/36288 790.0 0.699 0.699 0.688 0.000 -0.000 -0.000 3/36288 800.0 0.691 0.691 0.679 0.000 -0.000 -0.000 3/36288 810.0 0.682 0.682 0.671 0.000 -0.000 -0.000 3/36288 820.0 0.674 0.674 0.663 0.000 -0.000 -0.000 3/36288 830.0 0.666 0.666 0.655 0.000 -0.000 -0.000 3/36288 840.0 0.658 0.658 0.647 0.000 -0.000 -0.000 3/36288 850.0 0.650 0.650 0.639 0.000 -0.000 -0.000 3/36288 860.0 0.642 0.642 0.632 0.000 -0.000 -0.000 3/36288 870.0 0.635 0.635 0.624 0.000 -0.000 -0.000 3/36288 880.0 0.628 0.628 0.617 0.000 -0.000 -0.000 3/36288 890.0 0.621 0.621 0.610 0.000 -0.000 -0.000 3/36288 900.0 0.614 0.614 0.604 0.000 -0.000 -0.000 3/36288 910.0 0.607 0.607 0.597 0.000 -0.000 -0.000 3/36288 920.0 0.600 0.600 0.590 0.000 -0.000 -0.000 3/36288 930.0 0.594 0.594 0.584 0.000 -0.000 -0.000 3/36288 940.0 0.588 0.588 0.578 0.000 -0.000 -0.000 3/36288 950.0 0.581 0.581 0.572 0.000 -0.000 -0.000 3/36288 960.0 0.575 0.575 0.566 0.000 -0.000 -0.000 3/36288 970.0 0.569 0.569 0.560 0.000 -0.000 -0.000 3/36288 980.0 0.564 0.564 0.554 0.000 -0.000 -0.000 3/36288 990.0 0.558 0.558 0.549 0.000 -0.000 -0.000 3/36288 1000.0 0.552 0.552 0.543 0.000 -0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:26:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|