----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:19:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.889757888275680 0.000000000000000 0.000000000000000 b -2.444878944137840 4.234654549602090 0.000000000000000 c 0.000000000000000 0.000000000000000 5.433878480000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *2 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 3 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 *4 O 0.00000000000000 0.38300740224012 0.30728494058285 15.999 5 O 0.00000000000000 0.61699259775988 0.69271505941715 15.999 6 O 0.38300740224012 0.00000000000000 0.30728494058285 15.999 7 O 0.61699259775988 0.00000000000000 0.69271505941715 15.999 8 O 0.38300740224012 0.38300740224012 0.69271505941715 15.999 9 O 0.61699259775988 0.61699259775988 0.30728494058285 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.889757888275680 0.000000000000000 0.000000000000000 b -2.444878944137840 4.234654549602090 0.000000000000000 c 0.000000000000000 0.000000000000000 5.433878480000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 *2 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 > 2 3 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 > 3 *4 O 0.00000000000000 0.38300740224012 0.30728494058285 15.999 > 4 5 O 0.00000000000000 0.61699259775988 0.69271505941715 15.999 > 5 6 O 0.38300740224012 0.00000000000000 0.30728494058285 15.999 > 6 7 O 0.61699259775988 0.00000000000000 0.69271505941715 15.999 > 7 8 O 0.38300740224012 0.38300740224012 0.69271505941715 15.999 > 8 9 O 0.61699259775988 0.61699259775988 0.30728494058285 15.999 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.779515776551360 0.000000000000000 0.000000000000000 b -4.889757888275680 8.469309099204180 0.000000000000000 c 0.000000000000000 0.000000000000000 10.867756959999999 Atomic positions (fractional): *1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 *9 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 2 10 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 2 11 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 2 12 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 2 13 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 2 14 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 2 15 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 2 16 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 2 17 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 3 18 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 3 19 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 3 20 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 3 21 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 3 22 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 3 23 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 3 24 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 3 *25 O 0.00000000000000 0.19150370112006 0.15364247029142 15.999 > 4 26 O 0.50000000000000 0.19150370112006 0.15364247029142 15.999 > 4 27 O 0.00000000000000 0.69150370112006 0.15364247029142 15.999 > 4 28 O 0.50000000000000 0.69150370112006 0.15364247029142 15.999 > 4 29 O 0.00000000000000 0.19150370112006 0.65364247029142 15.999 > 4 30 O 0.50000000000000 0.19150370112006 0.65364247029142 15.999 > 4 31 O 0.00000000000000 0.69150370112006 0.65364247029142 15.999 > 4 32 O 0.50000000000000 0.69150370112006 0.65364247029142 15.999 > 4 33 O 0.00000000000000 0.30849629887994 0.34635752970858 15.999 > 5 34 O 0.50000000000000 0.30849629887994 0.34635752970858 15.999 > 5 35 O 0.00000000000000 0.80849629887994 0.34635752970858 15.999 > 5 36 O 0.50000000000000 0.80849629887994 0.34635752970858 15.999 > 5 37 O 0.00000000000000 0.30849629887994 0.84635752970858 15.999 > 5 38 O 0.50000000000000 0.30849629887994 0.84635752970858 15.999 > 5 39 O 0.00000000000000 0.80849629887994 0.84635752970858 15.999 > 5 40 O 0.50000000000000 0.80849629887994 0.84635752970858 15.999 > 5 41 O 0.19150370112006 0.00000000000000 0.15364247029142 15.999 > 6 42 O 0.69150370112006 0.00000000000000 0.15364247029142 15.999 > 6 43 O 0.19150370112006 0.50000000000000 0.15364247029142 15.999 > 6 44 O 0.69150370112006 0.50000000000000 0.15364247029142 15.999 > 6 45 O 0.19150370112006 0.00000000000000 0.65364247029142 15.999 > 6 46 O 0.69150370112006 0.00000000000000 0.65364247029142 15.999 > 6 47 O 0.19150370112006 0.50000000000000 0.65364247029142 15.999 > 6 48 O 0.69150370112006 0.50000000000000 0.65364247029142 15.999 > 6 49 O 0.30849629887994 0.00000000000000 0.34635752970858 15.999 > 7 50 O 0.80849629887994 0.00000000000000 0.34635752970858 15.999 > 7 51 O 0.30849629887994 0.50000000000000 0.34635752970858 15.999 > 7 52 O 0.80849629887994 0.50000000000000 0.34635752970858 15.999 > 7 53 O 0.30849629887994 0.00000000000000 0.84635752970858 15.999 > 7 54 O 0.80849629887994 0.00000000000000 0.84635752970858 15.999 > 7 55 O 0.30849629887994 0.50000000000000 0.84635752970858 15.999 > 7 56 O 0.80849629887994 0.50000000000000 0.84635752970858 15.999 > 7 57 O 0.19150370112006 0.19150370112006 0.34635752970858 15.999 > 8 58 O 0.69150370112006 0.19150370112006 0.34635752970858 15.999 > 8 59 O 0.19150370112006 0.69150370112006 0.34635752970858 15.999 > 8 60 O 0.69150370112006 0.69150370112006 0.34635752970858 15.999 > 8 61 O 0.19150370112006 0.19150370112006 0.84635752970858 15.999 > 8 62 O 0.69150370112006 0.19150370112006 0.84635752970858 15.999 > 8 63 O 0.19150370112006 0.69150370112006 0.84635752970858 15.999 > 8 64 O 0.69150370112006 0.69150370112006 0.84635752970858 15.999 > 8 65 O 0.30849629887994 0.30849629887994 0.15364247029142 15.999 > 9 66 O 0.80849629887994 0.30849629887994 0.15364247029142 15.999 > 9 67 O 0.30849629887994 0.80849629887994 0.15364247029142 15.999 > 9 68 O 0.80849629887994 0.80849629887994 0.15364247029142 15.999 > 9 69 O 0.30849629887994 0.30849629887994 0.65364247029142 15.999 > 9 70 O 0.80849629887994 0.30849629887994 0.65364247029142 15.999 > 9 71 O 0.30849629887994 0.80849629887994 0.65364247029142 15.999 > 9 72 O 0.80849629887994 0.80849629887994 0.65364247029142 15.999 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6968135 -0.0000000 0.0000000 0.0000000 3.6968135 0.0000000 0.0000000 0.0000000 3.0636865 -------------------------- Born effective charges -------------------------- 1 Sr 2.4882419 -0.0000000 0.0000000 -0.0000000 2.4882419 0.0000000 0.0000000 0.0000000 3.5496690 2 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 3 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 4 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 5 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 6 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 7 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 8 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 9 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 ---------------------------------------------------------------------------- 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: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 189 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 49), data: True |-- (104, 102), data: True |-- (140, 136), data: True ----- Solver_atoms: 1 -- 72 / 72 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 160 - Time: 0.189 Solver_block: 160 / 160 - Time: 0.096 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.289 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 216/216 Permutation basis: 3186/3186 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 298 Number of blocks in projector: 189 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 140 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 104 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 52 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (298, 289), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (52, 49), data: True |-- (104, 102), data: True |-- (140, 136), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:19:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.889757888275680 0.000000000000000 0.000000000000000 b -2.444878944137840 4.234654549602090 0.000000000000000 c 0.000000000000000 0.000000000000000 5.433878480000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 3 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 4 O 0.00000000000000 0.38300740224012 0.30728494058285 15.999 5 O 0.00000000000000 0.61699259775988 0.69271505941715 15.999 6 O 0.38300740224012 0.00000000000000 0.30728494058285 15.999 7 O 0.61699259775988 0.00000000000000 0.69271505941715 15.999 8 O 0.38300740224012 0.38300740224012 0.69271505941715 15.999 9 O 0.61699259775988 0.61699259775988 0.30728494058285 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.779515776551360 0.000000000000000 0.000000000000000 b -4.889757888275680 8.469309099204180 0.000000000000000 c 0.000000000000000 0.000000000000000 10.867756959999999 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 9 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 9 10 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 9 11 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 9 12 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 9 13 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 9 14 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 9 15 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 9 16 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 9 17 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 17 18 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 17 19 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 17 20 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 17 21 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 17 22 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 17 23 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 17 24 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 17 25 O 0.00000000000000 0.19150370112006 0.15364247029142 15.999 > 25 26 O 0.50000000000000 0.19150370112006 0.15364247029142 15.999 > 25 27 O 0.00000000000000 0.69150370112006 0.15364247029142 15.999 > 25 28 O 0.50000000000000 0.69150370112006 0.15364247029142 15.999 > 25 29 O 0.00000000000000 0.19150370112006 0.65364247029142 15.999 > 25 30 O 0.50000000000000 0.19150370112006 0.65364247029142 15.999 > 25 31 O 0.00000000000000 0.69150370112006 0.65364247029142 15.999 > 25 32 O 0.50000000000000 0.69150370112006 0.65364247029142 15.999 > 25 33 O 0.00000000000000 0.30849629887994 0.34635752970858 15.999 > 33 34 O 0.50000000000000 0.30849629887994 0.34635752970858 15.999 > 33 35 O 0.00000000000000 0.80849629887994 0.34635752970858 15.999 > 33 36 O 0.50000000000000 0.80849629887994 0.34635752970858 15.999 > 33 37 O 0.00000000000000 0.30849629887994 0.84635752970858 15.999 > 33 38 O 0.50000000000000 0.30849629887994 0.84635752970858 15.999 > 33 39 O 0.00000000000000 0.80849629887994 0.84635752970858 15.999 > 33 40 O 0.50000000000000 0.80849629887994 0.84635752970858 15.999 > 33 41 O 0.19150370112006 0.00000000000000 0.15364247029142 15.999 > 41 42 O 0.69150370112006 0.00000000000000 0.15364247029142 15.999 > 41 43 O 0.19150370112006 0.50000000000000 0.15364247029142 15.999 > 41 44 O 0.69150370112006 0.50000000000000 0.15364247029142 15.999 > 41 45 O 0.19150370112006 0.00000000000000 0.65364247029142 15.999 > 41 46 O 0.69150370112006 0.00000000000000 0.65364247029142 15.999 > 41 47 O 0.19150370112006 0.50000000000000 0.65364247029142 15.999 > 41 48 O 0.69150370112006 0.50000000000000 0.65364247029142 15.999 > 41 49 O 0.30849629887994 0.00000000000000 0.34635752970858 15.999 > 49 50 O 0.80849629887994 0.00000000000000 0.34635752970858 15.999 > 49 51 O 0.30849629887994 0.50000000000000 0.34635752970858 15.999 > 49 52 O 0.80849629887994 0.50000000000000 0.34635752970858 15.999 > 49 53 O 0.30849629887994 0.00000000000000 0.84635752970858 15.999 > 49 54 O 0.80849629887994 0.00000000000000 0.84635752970858 15.999 > 49 55 O 0.30849629887994 0.50000000000000 0.84635752970858 15.999 > 49 56 O 0.80849629887994 0.50000000000000 0.84635752970858 15.999 > 49 57 O 0.19150370112006 0.19150370112006 0.34635752970858 15.999 > 57 58 O 0.69150370112006 0.19150370112006 0.34635752970858 15.999 > 57 59 O 0.19150370112006 0.69150370112006 0.34635752970858 15.999 > 57 60 O 0.69150370112006 0.69150370112006 0.34635752970858 15.999 > 57 61 O 0.19150370112006 0.19150370112006 0.84635752970858 15.999 > 57 62 O 0.69150370112006 0.19150370112006 0.84635752970858 15.999 > 57 63 O 0.19150370112006 0.69150370112006 0.84635752970858 15.999 > 57 64 O 0.69150370112006 0.69150370112006 0.84635752970858 15.999 > 57 65 O 0.30849629887994 0.30849629887994 0.15364247029142 15.999 > 65 66 O 0.80849629887994 0.30849629887994 0.15364247029142 15.999 > 65 67 O 0.30849629887994 0.80849629887994 0.15364247029142 15.999 > 65 68 O 0.80849629887994 0.80849629887994 0.15364247029142 15.999 > 65 69 O 0.30849629887994 0.30849629887994 0.65364247029142 15.999 > 65 70 O 0.80849629887994 0.30849629887994 0.65364247029142 15.999 > 65 71 O 0.30849629887994 0.80849629887994 0.65364247029142 15.999 > 65 72 O 0.80849629887994 0.80849629887994 0.65364247029142 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6968135 -0.0000000 0.0000000 0.0000000 3.6968135 0.0000000 0.0000000 0.0000000 3.0636865 -------------------------- Born effective charges -------------------------- 1 Sr 2.4882419 -0.0000000 0.0000000 -0.0000000 2.4882419 0.0000000 0.0000000 0.0000000 3.5496690 2 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 3 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 4 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 5 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 6 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 7 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 8 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 9 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 ---------------------------------------------------------------------------- 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[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000157 (yxz) -0.00000157 (yxz) -0.00000157 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000110 (zx) 0.00000110 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:19:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31m (162) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.889757888275680 0.000000000000000 0.000000000000000 b -2.444878944137840 4.234654549602090 0.000000000000000 c 0.000000000000000 0.000000000000000 5.433878480000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 2 As 0.33333333333333 0.66666666666667 0.50000000000000 74.922 3 As 0.66666666666667 0.33333333333333 0.50000000000000 74.922 4 O 0.00000000000000 0.38300740224012 0.30728494058285 15.999 5 O 0.00000000000000 0.61699259775988 0.69271505941715 15.999 6 O 0.38300740224012 0.00000000000000 0.30728494058285 15.999 7 O 0.61699259775988 0.00000000000000 0.69271505941715 15.999 8 O 0.38300740224012 0.38300740224012 0.69271505941715 15.999 9 O 0.61699259775988 0.61699259775988 0.30728494058285 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.779515776551360 0.000000000000000 0.000000000000000 b -4.889757888275680 8.469309099204180 0.000000000000000 c 0.000000000000000 0.000000000000000 10.867756959999999 Atomic positions (fractional): 1 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 1 2 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 1 6 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 7 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 1 8 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 9 As 0.16666666666667 0.33333333333333 0.25000000000000 74.922 > 9 10 As 0.66666666666667 0.33333333333333 0.25000000000000 74.922 > 9 11 As 0.16666666666667 0.83333333333333 0.25000000000000 74.922 > 9 12 As 0.66666666666667 0.83333333333333 0.25000000000000 74.922 > 9 13 As 0.16666666666667 0.33333333333333 0.75000000000000 74.922 > 9 14 As 0.66666666666667 0.33333333333333 0.75000000000000 74.922 > 9 15 As 0.16666666666667 0.83333333333333 0.75000000000000 74.922 > 9 16 As 0.66666666666667 0.83333333333333 0.75000000000000 74.922 > 9 17 As 0.33333333333333 0.16666666666667 0.25000000000000 74.922 > 17 18 As 0.83333333333333 0.16666666666667 0.25000000000000 74.922 > 17 19 As 0.33333333333333 0.66666666666667 0.25000000000000 74.922 > 17 20 As 0.83333333333333 0.66666666666667 0.25000000000000 74.922 > 17 21 As 0.33333333333333 0.16666666666667 0.75000000000000 74.922 > 17 22 As 0.83333333333333 0.16666666666667 0.75000000000000 74.922 > 17 23 As 0.33333333333333 0.66666666666667 0.75000000000000 74.922 > 17 24 As 0.83333333333333 0.66666666666667 0.75000000000000 74.922 > 17 25 O 0.00000000000000 0.19150370112006 0.15364247029142 15.999 > 25 26 O 0.50000000000000 0.19150370112006 0.15364247029142 15.999 > 25 27 O 0.00000000000000 0.69150370112006 0.15364247029142 15.999 > 25 28 O 0.50000000000000 0.69150370112006 0.15364247029142 15.999 > 25 29 O 0.00000000000000 0.19150370112006 0.65364247029142 15.999 > 25 30 O 0.50000000000000 0.19150370112006 0.65364247029142 15.999 > 25 31 O 0.00000000000000 0.69150370112006 0.65364247029142 15.999 > 25 32 O 0.50000000000000 0.69150370112006 0.65364247029142 15.999 > 25 33 O 0.00000000000000 0.30849629887994 0.34635752970858 15.999 > 33 34 O 0.50000000000000 0.30849629887994 0.34635752970858 15.999 > 33 35 O 0.00000000000000 0.80849629887994 0.34635752970858 15.999 > 33 36 O 0.50000000000000 0.80849629887994 0.34635752970858 15.999 > 33 37 O 0.00000000000000 0.30849629887994 0.84635752970858 15.999 > 33 38 O 0.50000000000000 0.30849629887994 0.84635752970858 15.999 > 33 39 O 0.00000000000000 0.80849629887994 0.84635752970858 15.999 > 33 40 O 0.50000000000000 0.80849629887994 0.84635752970858 15.999 > 33 41 O 0.19150370112006 0.00000000000000 0.15364247029142 15.999 > 41 42 O 0.69150370112006 0.00000000000000 0.15364247029142 15.999 > 41 43 O 0.19150370112006 0.50000000000000 0.15364247029142 15.999 > 41 44 O 0.69150370112006 0.50000000000000 0.15364247029142 15.999 > 41 45 O 0.19150370112006 0.00000000000000 0.65364247029142 15.999 > 41 46 O 0.69150370112006 0.00000000000000 0.65364247029142 15.999 > 41 47 O 0.19150370112006 0.50000000000000 0.65364247029142 15.999 > 41 48 O 0.69150370112006 0.50000000000000 0.65364247029142 15.999 > 41 49 O 0.30849629887994 0.00000000000000 0.34635752970858 15.999 > 49 50 O 0.80849629887994 0.00000000000000 0.34635752970858 15.999 > 49 51 O 0.30849629887994 0.50000000000000 0.34635752970858 15.999 > 49 52 O 0.80849629887994 0.50000000000000 0.34635752970858 15.999 > 49 53 O 0.30849629887994 0.00000000000000 0.84635752970858 15.999 > 49 54 O 0.80849629887994 0.00000000000000 0.84635752970858 15.999 > 49 55 O 0.30849629887994 0.50000000000000 0.84635752970858 15.999 > 49 56 O 0.80849629887994 0.50000000000000 0.84635752970858 15.999 > 49 57 O 0.19150370112006 0.19150370112006 0.34635752970858 15.999 > 57 58 O 0.69150370112006 0.19150370112006 0.34635752970858 15.999 > 57 59 O 0.19150370112006 0.69150370112006 0.34635752970858 15.999 > 57 60 O 0.69150370112006 0.69150370112006 0.34635752970858 15.999 > 57 61 O 0.19150370112006 0.19150370112006 0.84635752970858 15.999 > 57 62 O 0.69150370112006 0.19150370112006 0.84635752970858 15.999 > 57 63 O 0.19150370112006 0.69150370112006 0.84635752970858 15.999 > 57 64 O 0.69150370112006 0.69150370112006 0.84635752970858 15.999 > 57 65 O 0.30849629887994 0.30849629887994 0.15364247029142 15.999 > 65 66 O 0.80849629887994 0.30849629887994 0.15364247029142 15.999 > 65 67 O 0.30849629887994 0.80849629887994 0.15364247029142 15.999 > 65 68 O 0.80849629887994 0.80849629887994 0.15364247029142 15.999 > 65 69 O 0.30849629887994 0.30849629887994 0.65364247029142 15.999 > 65 70 O 0.80849629887994 0.30849629887994 0.65364247029142 15.999 > 65 71 O 0.30849629887994 0.80849629887994 0.65364247029142 15.999 > 65 72 O 0.80849629887994 0.80849629887994 0.65364247029142 15.999 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6968135 -0.0000000 0.0000000 0.0000000 3.6968135 0.0000000 0.0000000 0.0000000 3.0636865 -------------------------- Born effective charges -------------------------- 1 Sr 2.4882419 -0.0000000 0.0000000 -0.0000000 2.4882419 0.0000000 0.0000000 0.0000000 3.5496690 2 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 3 As 4.8008685 0.0000000 0.0000000 -0.0000000 4.8008685 0.0000000 0.0000000 0.0000000 2.6691657 4 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 5 O -2.2266633 -0.3666176 0.1583622 -0.3666176 -1.8033297 -0.2742914 0.1980872 -0.3430972 -1.4813334 6 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 7 O -1.5916629 -0.0000000 -0.3167245 -0.0000000 -2.4383300 0.0000000 -0.3961745 0.0000000 -1.4813334 8 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 9 O -2.2266633 0.3666176 0.1583622 0.3666176 -1.8033297 0.2742914 0.1980872 0.3430972 -1.4813334 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000157 (yxz) -0.00000157 (yxz) -0.00000157 (yzx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 9 ] 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: 0.86, Number of G-points: 303, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/143) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 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 3.820 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 6.066 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.232 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 11.813 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.583 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 14.941 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 17.058 ( 0.000 0.000 0.000) 0.000 18.222 ( 0.000 0.000 0.000) 0.000 19.349 ( 0.000 0.000 0.000) 0.000 19.917 ( 0.000 0.000 0.000) 0.000 21.411 ( 0.000 0.000 0.000) 0.000 21.644 ( 0.000 0.000 0.000) 0.000 21.644 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/143) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 22.338 12.897 0.000) 25.794 0.805 ( 35.221 20.335 0.000) 40.670 1.476 ( 63.636 36.740 0.000) 73.481 3.743 ( -6.451 -3.725 0.000) 7.449 4.275 ( -0.142 -0.082 0.000) 0.164 4.743 ( -3.542 -2.045 0.000) 4.090 6.078 ( 0.789 0.455 0.000) 0.911 7.362 ( 1.819 1.050 0.000) 2.100 7.375 ( 2.600 1.501 0.000) 3.002 9.434 ( -4.544 -2.623 0.000) 5.247 10.001 ( -0.993 -0.573 0.000) 1.146 10.154 ( -6.746 -3.895 0.000) 7.790 11.436 ( -7.947 -4.588 0.000) 9.177 11.869 ( 4.595 2.653 0.000) 5.306 11.874 ( 4.783 2.761 0.000) 5.522 14.557 ( -2.211 -1.276 0.000) 2.553 14.627 ( 3.126 1.805 0.000) 3.610 14.981 ( 4.090 2.361 0.000) 4.722 17.054 ( -0.216 -0.125 0.000) 0.250 17.127 ( 5.955 3.438 0.000) 6.876 18.222 ( -0.121 -0.070 0.000) 0.140 19.290 ( -5.097 -2.943 0.000) 5.886 19.934 ( 1.304 0.753 0.000) 1.506 20.711 ( -3.705 -2.139 0.000) 4.279 21.411 ( -0.109 -0.063 0.000) 0.126 21.639 ( -0.466 -0.269 0.000) 0.538 21.645 ( -0.056 -0.033 0.000) 0.065 ======================= Grid point 2 (3/143) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 22.043 12.727 0.000) 25.453 1.597 ( 34.446 19.887 0.000) 39.775 2.831 ( 52.711 30.433 0.000) 60.866 3.548 ( -10.114 -5.839 0.000) 11.679 4.321 ( 6.901 3.984 0.000) 7.968 4.654 ( -3.676 -2.123 0.000) 4.245 6.078 ( -1.422 -0.821 0.000) 1.642 7.427 ( 3.962 2.288 0.000) 4.575 7.439 ( 2.714 1.567 0.000) 3.133 9.295 ( -7.250 -4.186 0.000) 8.371 9.936 ( -12.110 -6.992 0.000) 13.984 9.976 ( -1.123 -0.648 0.000) 1.296 11.177 ( -14.912 -8.610 0.000) 17.219 12.003 ( 6.814 3.934 0.000) 7.868 12.011 ( 7.021 4.053 0.000) 8.107 14.493 ( -3.130 -1.807 0.000) 3.615 14.676 ( 0.457 0.264 0.000) 0.528 15.162 ( 12.067 6.967 0.000) 13.934 17.061 ( 1.214 0.701 0.000) 1.402 17.319 ( 10.663 6.156 0.000) 12.313 18.207 ( -1.510 -0.872 0.000) 1.743 19.125 ( -9.228 -5.328 0.000) 10.656 19.963 ( 0.786 0.454 0.000) 0.908 20.607 ( -4.901 -2.830 0.000) 5.659 21.404 ( -0.531 -0.306 0.000) 0.613 21.624 ( -0.814 -0.470 0.000) 0.940 21.637 ( -0.668 -0.386 0.000) 0.772 ======================= Grid point 3 (4/143) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 19.647 11.343 0.000) 22.686 2.368 ( 33.410 19.289 0.000) 38.579 3.304 ( -11.080 -6.397 0.000) 12.794 3.597 ( 12.073 6.970 0.000) 13.941 4.601 ( -0.673 -0.388 0.000) 0.777 4.856 ( 42.710 24.659 0.000) 49.317 5.983 ( -7.531 -4.348 0.000) 8.696 7.497 ( 2.537 1.465 0.000) 2.929 7.545 ( 6.435 3.715 0.000) 7.431 9.127 ( -7.004 -4.044 0.000) 8.088 9.619 ( -15.442 -8.915 0.000) 17.831 9.944 ( -1.967 -1.136 0.000) 2.272 10.755 ( -22.191 -12.812 0.000) 25.624 12.160 ( 6.681 3.857 0.000) 7.714 12.182 ( 7.774 4.488 0.000) 8.976 14.424 ( -2.829 -1.633 0.000) 3.267 14.649 ( -2.553 -1.474 0.000) 2.948 15.508 ( 17.663 10.198 0.000) 20.396 17.120 ( 4.021 2.322 0.000) 4.643 17.597 ( 13.478 7.781 0.000) 15.563 18.143 ( -4.207 -2.429 0.000) 4.858 18.884 ( -11.620 -6.709 0.000) 13.417 19.941 ( -3.269 -1.887 0.000) 3.775 20.519 ( -2.176 -1.257 0.000) 2.513 21.387 ( -0.957 -0.553 0.000) 1.105 21.604 ( -0.947 -0.547 0.000) 1.093 21.612 ( -1.552 -0.896 0.000) 1.792 ======================= Grid point 4 (5/143) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 15.874 9.165 0.000) 18.329 3.033 ( -5.089 -2.938 0.000) 5.877 3.130 ( 25.744 14.864 0.000) 29.727 3.655 ( -2.188 -1.263 0.000) 2.526 4.625 ( 2.485 1.435 0.000) 2.870 5.725 ( -15.031 -8.678 0.000) 17.356 5.985 ( 51.765 29.887 0.000) 59.773 7.559 ( 2.815 1.625 0.000) 3.250 7.718 ( 8.637 4.987 0.000) 9.973 8.999 ( -3.918 -2.262 0.000) 4.524 9.252 ( -16.396 -9.466 0.000) 18.933 9.878 ( -3.926 -2.267 0.000) 4.533 10.173 ( -28.780 -16.616 0.000) 33.232 12.297 ( 5.231 3.020 0.000) 6.040 12.352 ( 6.844 3.951 0.000) 7.902 14.368 ( -2.050 -1.184 0.000) 2.368 14.575 ( -3.588 -2.071 0.000) 4.143 15.929 ( 18.586 10.731 0.000) 21.462 17.240 ( 6.266 3.617 0.000) 7.235 17.913 ( 13.816 7.976 0.000) 15.953 18.015 ( -6.852 -3.956 0.000) 7.911 18.614 ( -11.788 -6.806 0.000) 13.612 19.811 ( -7.680 -4.434 0.000) 8.868 20.514 ( 1.306 0.754 0.000) 1.508 21.361 ( -1.285 -0.742 0.000) 1.484 21.572 ( -1.833 -1.058 0.000) 2.116 21.583 ( -0.820 -0.474 0.000) 0.947 ======================= Grid point 5 (6/143) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 13.252 7.651 0.000) 15.302 2.782 ( -11.788 -6.806 0.000) 13.611 3.590 ( -2.599 -1.501 0.000) 3.002 3.808 ( 27.795 16.048 0.000) 32.095 4.685 ( 1.968 1.136 0.000) 2.273 5.326 ( -18.814 -10.862 0.000) 21.725 7.104 ( 45.145 26.064 0.000) 52.129 7.616 ( 2.008 1.159 0.000) 2.318 7.917 ( 7.752 4.475 0.000) 8.951 8.898 ( -13.994 -8.079 0.000) 16.158 8.952 ( -0.492 -0.284 0.000) 0.568 9.477 ( -30.831 -17.800 0.000) 35.601 9.779 ( -4.152 -2.397 0.000) 4.795 12.392 ( 2.944 1.700 0.000) 3.400 12.479 ( 4.086 2.359 0.000) 4.718 14.332 ( -1.115 -0.644 0.000) 1.288 14.501 ( -2.563 -1.479 0.000) 2.959 16.310 ( 13.717 7.920 0.000) 15.839 17.377 ( 4.863 2.808 0.000) 5.615 17.860 ( -5.733 -3.310 0.000) 6.620 18.195 ( 10.075 5.817 0.000) 11.634 18.370 ( -8.934 -5.158 0.000) 10.316 19.630 ( -7.191 -4.152 0.000) 8.303 20.554 ( 1.728 0.998 0.000) 1.995 21.331 ( -1.159 -0.669 0.000) 1.338 21.536 ( -1.125 -0.650 0.000) 1.299 21.568 ( -0.472 -0.273 0.000) 0.545 ======================= Grid point 6 (7/143) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 193 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.000 -0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 3.558 ( 0.000 0.000 0.000) 0.000 4.224 ( 0.000 0.000 0.000) 0.000 4.685 ( -0.000 -0.000 0.000) 0.000 5.038 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.850 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 14.319 ( 0.000 0.000 0.000) 0.000 14.471 ( 0.000 0.000 0.000) 0.000 16.482 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 17.796 ( 0.000 0.000 0.000) 0.000 18.256 ( 0.000 0.000 0.000) 0.000 18.320 ( 0.000 0.000 0.000) 0.000 19.537 ( 0.000 0.000 0.000) 0.000 20.576 ( 0.000 0.000 0.000) 0.000 21.317 ( 0.000 0.000 0.000) 0.000 21.523 ( 0.000 0.000 0.000) 0.000 21.563 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/143) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 14.744 25.538 5.671) 30.029 1.356 ( 19.693 34.110 13.610) 41.672 2.488 ( 33.012 57.179 -11.187) 66.965 3.611 ( -5.237 -9.071 -5.846) 11.995 4.285 ( 1.300 2.252 5.199) 5.813 4.678 ( -2.277 -3.944 0.609) 4.595 6.085 ( -0.116 -0.201 -0.709) 0.746 7.393 ( 1.752 3.034 0.551) 3.547 7.434 ( 1.735 3.006 1.488) 3.777 9.345 ( -3.553 -6.154 -1.165) 7.201 9.959 ( -1.969 -3.411 -0.873) 4.034 10.009 ( -6.053 -10.483 -0.229) 12.107 11.422 ( -1.279 -2.216 0.052) 2.559 11.650 ( -4.473 -7.748 1.088) 9.012 12.139 ( 6.722 11.643 -1.172) 13.495 14.418 ( -3.800 -6.582 2.391) 7.967 14.865 ( 7.808 13.523 0.397) 15.620 14.992 ( 0.703 1.218 -2.085) 2.515 17.048 ( -0.088 -0.152 0.907) 0.924 17.265 ( 5.926 10.263 -0.359) 11.857 18.214 ( -0.562 -0.973 -0.210) 1.143 19.178 ( -4.782 -8.283 -1.128) 9.631 19.965 ( 1.242 2.152 0.120) 2.488 20.629 ( -3.352 -5.806 8.373) 10.726 21.407 ( -0.237 -0.410 -0.303) 0.562 21.605 ( -1.115 -1.932 -0.945) 2.422 21.665 ( 0.469 0.813 -5.961) 6.035 ======================= Grid point 15 (9/143) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 12.196 28.067 6.385) 31.261 2.068 ( 27.125 27.027 10.138) 39.611 3.404 ( -4.331 -2.147 -7.132) 8.616 3.448 ( 17.601 19.740 -8.317) 27.724 4.487 ( 15.823 11.196 -0.252) 19.385 4.642 ( 4.431 7.058 6.125) 10.343 6.045 ( -3.657 -2.915 -1.581) 4.937 7.476 ( 1.317 1.456 0.841) 2.136 7.488 ( 4.541 4.201 0.926) 6.255 9.203 ( -6.176 -5.120 -1.520) 8.165 9.754 ( -11.190 -10.571 -0.447) 15.400 9.879 ( -0.255 -9.378 -1.317) 9.474 11.161 ( -26.554 5.351 1.237) 27.116 11.705 ( 19.993 -17.846 1.443) 26.838 12.343 ( 2.645 14.164 -1.061) 14.448 14.310 ( 0.424 -9.872 1.831) 10.050 14.898 ( -11.263 12.447 -1.276) 16.835 15.273 ( 19.721 7.260 0.049) 21.015 17.063 ( 2.451 -0.199 1.355) 2.807 17.516 ( 9.427 13.454 -0.011) 16.428 18.174 ( -2.374 -2.657 -0.470) 3.594 18.975 ( -8.326 -9.710 -0.945) 12.825 19.996 ( -1.426 2.659 0.497) 3.058 20.508 ( -2.449 -7.039 8.422) 11.246 21.394 ( -0.610 -0.718 -0.591) 1.112 21.566 ( -0.446 -3.261 -0.656) 3.356 21.671 ( -1.234 1.599 -7.138) 7.419 ======================= Grid point 16 (10/143) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 7.672 27.620 5.937) 29.274 2.785 ( 28.850 19.781 8.189) 35.926 3.207 ( -10.664 -0.185 -4.023) 11.399 3.677 ( -0.114 1.272 -3.497) 3.723 4.581 ( 3.052 -1.104 -2.915) 4.363 5.450 ( 43.660 33.266 2.361) 54.940 5.884 ( -10.102 -5.353 -2.309) 11.663 7.500 ( 2.514 -1.890 -0.255) 3.156 7.643 ( 6.912 6.543 1.156) 9.587 9.051 ( -5.862 -4.345 -0.752) 7.336 9.435 ( -14.554 -8.500 -1.068) 16.888 9.752 ( -0.057 -16.920 -1.662) 17.002 10.705 ( -32.287 5.687 2.068) 32.849 11.883 ( 20.054 -16.926 1.842) 26.307 12.510 ( 0.533 14.146 -0.417) 14.162 14.232 ( 2.518 -11.282 0.927) 11.597 14.818 ( -11.283 11.006 -0.742) 15.779 15.707 ( 19.832 11.078 0.133) 22.716 17.133 ( 6.148 -0.562 1.366) 6.323 17.834 ( 10.501 15.591 0.697) 18.811 18.075 ( -5.019 -4.535 -0.633) 6.794 18.719 ( -9.926 -9.808 -0.187) 13.956 19.935 ( -8.277 1.044 1.450) 8.467 20.442 ( 3.052 -6.629 5.826) 9.338 21.372 ( -0.957 -0.859 -0.702) 1.465 21.526 ( -0.024 -3.993 0.239) 4.000 21.657 ( -2.411 2.220 -7.859) 8.515 ======================= Grid point 17 (11/143) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 3.811 23.906 4.750) 24.669 2.988 ( -11.526 0.902 -1.226) 11.626 3.424 ( 17.497 8.050 15.867) 24.954 3.697 ( 5.597 10.771 -11.542) 16.749 4.649 ( 4.330 1.263 -2.068) 4.962 5.546 ( -17.903 -9.056 -2.550) 20.225 6.561 ( 46.635 26.840 -0.831) 53.814 7.530 ( 4.643 -4.645 -1.171) 6.671 7.839 ( 7.642 6.802 1.195) 10.301 8.905 ( -5.210 -8.419 2.036) 10.108 9.113 ( -13.869 -7.359 -3.099) 16.004 9.540 ( -4.791 -15.614 -1.376) 16.390 10.217 ( -31.881 9.369 2.525) 33.325 12.038 ( 17.318 -16.937 1.810) 24.291 12.637 ( -1.347 12.753 0.358) 12.829 14.173 ( 3.907 -11.731 0.163) 12.365 14.740 ( -10.664 11.609 -0.110) 15.763 16.138 ( 17.050 10.757 -0.000) 20.159 17.248 ( 8.236 -2.277 0.805) 8.583 17.923 ( -6.359 -5.172 -0.671) 8.224 18.156 ( 8.267 14.920 1.426) 17.117 18.466 ( -8.928 -7.070 1.390) 11.473 19.758 ( -11.049 -1.281 1.189) 11.187 20.463 ( 5.766 -5.865 3.883) 9.095 21.345 ( -1.200 -0.753 -0.796) 1.626 21.490 ( 0.560 -3.979 1.246) 4.207 21.638 ( -2.698 2.831 -8.582) 9.431 ======================= Grid point 18 (12/143) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 3.217 15.419 3.875) 16.221 2.794 ( -17.246 11.533 0.212) 20.749 3.500 ( 2.603 -6.213 8.670) 10.979 4.139 ( 15.132 14.684 -3.341) 21.349 4.737 ( 1.861 5.842 -3.432) 7.027 5.127 ( -16.769 -9.483 -2.663) 19.448 7.485 ( 27.268 5.941 -3.365) 28.110 7.588 ( 16.000 1.618 -0.535) 16.090 7.969 ( -0.865 -1.479 0.192) 1.724 8.691 ( -6.944 -11.021 0.904) 13.057 8.794 ( -6.045 -16.671 0.645) 17.745 9.388 ( -11.481 15.424 -0.170) 19.229 9.873 ( -16.009 7.147 1.425) 17.589 12.128 ( 13.296 -18.193 1.639) 22.594 12.709 ( -3.972 10.719 0.871) 11.465 14.138 ( 5.453 -11.384 -0.253) 12.625 14.692 ( -9.036 13.015 0.261) 15.846 16.447 ( 7.449 5.970 -0.099) 9.547 17.333 ( 5.872 -6.311 -0.131) 8.621 17.800 ( -2.370 -2.512 -0.617) 3.508 18.245 ( -1.863 -5.618 0.347) 5.929 18.428 ( -1.698 14.833 5.088) 15.772 19.586 ( -6.237 -0.490 -0.184) 6.258 20.499 ( 5.051 -6.546 3.194) 8.863 21.322 ( -0.722 -0.185 -0.865) 1.141 21.470 ( 1.401 -3.472 1.879) 4.189 21.625 ( -2.337 3.343 -9.035) 9.913 ======================= Grid point 27 (13/143) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 16.261 28.165 8.343) 33.575 2.597 ( 13.930 24.127 11.323) 30.073 3.323 ( 0.308 0.533 -6.437) 6.466 3.683 ( 1.359 2.353 -4.672) 5.405 4.531 ( -0.026 -0.046 -4.883) 4.884 5.231 ( 24.825 42.998 4.690) 49.871 5.947 ( -4.278 -7.410 -3.042) 9.081 7.466 ( -1.055 -1.827 -0.111) 2.113 7.615 ( 4.700 8.140 1.551) 9.527 9.086 ( -4.055 -7.023 -1.273) 8.209 9.558 ( -5.159 -8.936 -1.068) 10.374 9.624 ( -9.029 -15.639 -2.149) 18.186 11.314 ( -4.345 -7.527 1.804) 8.876 11.325 ( -2.382 -4.126 2.593) 5.425 12.577 ( 5.699 9.871 -0.241) 11.401 14.148 ( -3.882 -6.724 1.183) 7.854 15.016 ( 0.311 0.538 -0.999) 1.176 15.550 ( 11.415 19.771 0.333) 22.832 17.071 ( 0.807 1.398 2.067) 2.623 17.825 ( 9.998 17.317 0.842) 20.014 18.096 ( -3.085 -5.344 -0.911) 6.238 18.755 ( -7.018 -12.155 -0.561) 14.047 20.044 ( 0.668 1.156 0.606) 1.466 20.350 ( -4.613 -7.990 10.291) 13.821 21.376 ( -0.582 -1.009 -0.946) 1.500 21.506 ( -1.640 -2.841 -1.838) 3.761 21.691 ( 0.258 0.447 -9.186) 9.200 ======================= Grid point 28 (14/143) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( 2.476 29.503 9.273) 31.025 2.921 ( 12.906 -2.089 5.988) 14.380 3.498 ( -0.638 23.241 3.418) 23.499 3.688 ( 4.469 3.133 -5.932) 8.061 4.565 ( 4.550 -0.473 -3.926) 6.028 5.729 ( -11.986 -7.543 -3.848) 14.675 6.136 ( 34.300 32.053 -0.808) 46.953 7.423 ( 0.712 -5.495 -1.666) 5.786 7.793 ( 6.192 8.140 1.926) 10.408 8.923 ( -5.899 -8.504 1.017) 10.399 9.223 ( -14.574 -19.776 -2.803) 24.726 9.485 ( 0.844 -1.351 -1.709) 2.337 10.874 ( -33.028 9.818 2.831) 34.572 11.508 ( 22.495 -21.172 2.640) 31.004 12.739 ( 2.280 9.339 0.876) 9.653 14.039 ( -0.422 -8.226 0.316) 8.243 14.992 ( -6.019 6.361 -0.212) 8.760 15.971 ( 15.971 15.695 0.015) 22.392 17.120 ( 4.028 -0.435 2.022) 4.528 17.966 ( -5.063 -6.341 -1.061) 8.184 18.165 ( 8.691 15.583 1.712) 17.925 18.525 ( -6.400 -7.878 1.253) 10.227 19.970 ( -12.015 2.189 2.346) 12.436 20.264 ( 6.408 -11.240 6.901) 14.664 21.355 ( -0.806 -0.810 -1.128) 1.606 21.456 ( -0.713 -3.088 -1.736) 3.614 21.692 ( -1.007 1.258 -10.343) 10.468 ======================= Grid point 29 (15/143) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( -4.067 14.253 7.639) 16.675 3.101 ( 4.167 8.155 5.903) 10.896 3.492 ( -9.111 7.998 5.052) 13.134 4.065 ( 13.644 21.162 -4.761) 25.625 4.678 ( 8.548 1.504 -3.200) 9.251 5.376 ( -19.648 -7.984 -4.497) 21.679 6.992 ( 36.355 16.447 -3.563) 40.061 7.394 ( 4.297 -8.305 -2.782) 9.756 7.946 ( 3.167 2.357 1.533) 4.235 8.722 ( -8.794 -11.152 1.594) 14.291 8.767 ( -10.496 -19.495 -1.407) 22.185 9.594 ( 3.240 16.305 -0.510) 16.632 10.400 ( -32.481 8.593 2.923) 33.725 11.652 ( 19.051 -22.332 2.631) 29.472 12.839 ( -0.563 8.002 1.757) 8.212 13.971 ( 2.153 -8.635 -0.284) 8.904 14.955 ( -7.326 9.756 0.306) 12.204 16.360 ( 12.289 11.826 -0.246) 17.057 17.176 ( 4.590 -4.873 1.054) 6.777 17.826 ( -4.088 -4.130 -0.735) 5.857 18.216 ( -3.287 -8.656 0.544) 9.275 18.587 ( 3.728 18.574 6.264) 19.953 19.748 ( -12.996 0.110 1.400) 13.072 20.290 ( 8.438 -11.391 4.654) 14.921 21.335 ( -0.880 -0.267 -1.437) 1.706 21.423 ( 0.364 -2.822 -1.109) 3.054 21.686 ( -1.487 1.989 -11.084) 11.359 ======================= Grid point 30 (16/143) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( -4.241 7.346 7.211) 11.133 3.181 ( -6.027 10.439 6.335) 13.618 3.449 ( -7.031 12.178 4.478) 14.758 4.324 ( -2.708 4.690 -2.929) 6.157 4.923 ( 3.795 -6.573 -3.244) 8.254 4.974 ( -6.836 11.840 -5.550) 14.755 7.364 ( 5.410 -9.370 -3.878) 11.494 7.593 ( 7.436 -12.880 -4.921) 15.666 7.850 ( 2.477 -4.291 0.231) 4.960 8.502 ( 2.548 -4.413 -0.671) 5.139 8.622 ( 1.729 -2.995 3.689) 5.057 9.830 ( -13.294 23.026 1.252) 26.617 10.037 ( -7.140 12.367 2.117) 14.436 11.706 ( 14.268 -24.712 2.579) 28.652 12.874 ( -3.602 6.239 2.087) 7.500 13.946 ( 4.533 -7.851 -0.485) 9.078 14.940 ( -6.623 11.471 0.473) 13.254 16.545 ( -2.278 3.945 -0.279) 4.564 17.179 ( 4.744 -8.216 0.132) 9.488 17.772 ( 0.073 -0.127 -0.405) 0.431 18.126 ( 3.486 -6.038 1.350) 7.101 18.741 ( -8.706 15.080 8.414) 19.339 19.615 ( -2.253 3.902 -0.663) 4.555 20.308 ( 7.145 -12.375 4.225) 14.901 21.325 ( -0.237 0.410 -1.606) 1.675 21.413 ( 1.352 -2.341 -0.782) 2.814 21.682 ( -1.382 2.394 -11.349) 11.681 ======================= Grid point 41 (17/143) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 0.099 0.172 5.966) 5.969 2.974 ( 7.781 13.476 15.041) 21.642 3.697 ( 4.660 8.072 -6.167) 11.176 4.077 ( 14.239 24.662 1.256) 28.505 4.568 ( 0.674 1.168 -4.054) 4.273 5.531 ( -7.204 -12.478 -4.466) 15.085 6.730 ( 16.148 27.969 -4.207) 32.569 7.309 ( -3.089 -5.350 -3.298) 7.003 7.928 ( 2.207 3.823 1.971) 4.835 8.749 ( -4.933 -8.544 2.608) 10.205 8.757 ( -13.424 -23.252 -2.928) 27.008 9.644 ( 8.613 14.918 -0.641) 17.238 11.038 ( -5.970 -10.341 4.398) 12.724 11.067 ( -3.956 -6.853 1.902) 8.138 12.884 ( 3.169 5.489 2.082) 6.671 13.908 ( -2.968 -5.140 -0.298) 5.943 15.077 ( 1.556 2.695 0.337) 3.130 16.303 ( 9.953 17.240 -0.352) 19.910 17.110 ( -0.731 -1.266 1.729) 2.264 17.843 ( -3.076 -5.329 -0.792) 6.204 18.199 ( -5.281 -9.146 0.642) 10.581 18.647 ( 9.906 17.158 5.997) 20.700 20.010 ( -1.805 -3.126 0.809) 3.699 20.012 ( -5.165 -8.947 6.777) 12.355 21.342 ( -0.285 -0.494 -1.480) 1.586 21.405 ( -1.171 -2.028 -2.401) 3.354 21.709 ( 0.310 0.537 -11.722) 11.738 ======================= Grid point 42 (18/143) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -4.064 6.602 8.886) 11.792 3.104 ( 4.905 -5.657 13.344) 15.301 3.905 ( -6.052 27.737 -4.145) 28.691 4.400 ( 0.006 10.818 -2.716) 11.153 4.676 ( 14.238 -3.899 -3.282) 15.123 5.262 ( -13.094 -2.208 -3.218) 13.663 7.197 ( 8.323 -0.021 -5.317) 9.876 7.276 ( 13.660 3.398 -4.729) 14.849 7.820 ( -8.398 -15.837 -1.422) 17.982 8.475 ( -1.955 -3.476 -0.183) 3.992 8.604 ( -3.243 -5.487 3.086) 7.082 10.032 ( 11.976 26.536 1.637) 29.159 10.537 ( -33.618 5.022 3.173) 34.139 11.163 ( 18.960 -27.000 3.004) 33.129 12.956 ( -0.133 3.938 2.777) 4.821 13.839 ( 0.593 -4.654 -0.630) 4.733 15.110 ( -2.381 5.618 0.607) 6.132 16.601 ( 5.354 12.598 -0.478) 13.696 17.048 ( -0.122 -8.419 0.480) 8.434 17.788 ( -0.787 0.862 0.181) 1.181 18.027 ( -1.717 -9.530 1.379) 9.781 18.959 ( 3.096 17.238 10.058) 20.196 19.759 ( -11.638 1.067 0.894) 11.721 20.037 ( 8.598 -13.508 2.750) 16.246 21.336 ( -0.414 0.378 -2.002) 2.079 21.378 ( 0.237 -1.843 -2.245) 2.915 21.715 ( -0.415 0.999 -12.356) 12.403 ======================= Grid point 54 (19/143) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -3.501 -6.064 11.356) 13.341 2.971 ( 3.501 6.064 11.356) 13.341 4.391 ( -8.860 -15.346 -4.297) 18.234 4.391 ( 8.860 15.346 -4.297) 18.234 4.550 ( 0.000 0.000 -3.814) 3.814 5.268 ( -0.000 -0.000 -0.058) 0.058 7.149 ( -0.000 -0.000 -5.169) 5.169 7.484 ( -7.431 -12.872 -4.835) 15.630 7.484 ( 7.431 12.872 -4.835) 15.630 8.508 ( -2.093 -3.626 2.161) 4.711 8.508 ( 2.093 3.626 2.161) 4.711 10.523 ( 0.000 0.000 5.016) 5.016 10.630 ( -9.322 -16.146 1.986) 18.750 10.630 ( 9.322 16.146 1.986) 18.750 12.995 ( -0.000 -0.000 3.144) 3.144 13.792 ( -0.000 -0.000 -0.754) 0.754 15.166 ( -0.000 -0.000 0.706) 0.706 16.845 ( -5.891 -10.204 -0.281) 11.786 16.845 ( 5.891 10.204 -0.281) 11.786 17.864 ( -3.265 -5.655 1.206) 6.641 17.864 ( 3.265 5.655 1.206) 6.641 19.163 ( -0.000 -0.000 13.934) 13.934 19.820 ( -3.363 -5.825 0.078) 6.727 19.820 ( 3.363 5.825 0.078) 6.727 21.350 ( -0.523 -0.905 -2.403) 2.620 21.350 ( 0.523 0.905 -2.403) 2.620 21.725 ( -0.000 -0.000 -12.742) 12.742 ======================= Grid point 157 (20/143) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 -0.000 30.665) 30.665 0.639 ( -0.000 0.000 30.665) 30.665 1.097 ( 0.000 -0.000 52.439) 52.439 3.775 ( 0.000 0.000 -4.340) 4.340 3.775 ( 0.000 0.000 -4.340) 4.340 6.074 ( 0.000 -0.000 0.752) 0.752 6.323 ( 0.000 -0.000 -1.324) 1.324 7.312 ( 0.000 0.000 -2.752) 2.752 7.312 ( 0.000 0.000 -2.752) 2.752 9.689 ( 0.000 -0.000 -3.409) 3.409 10.031 ( 0.000 0.000 1.536) 1.536 10.031 ( 0.000 0.000 1.536) 1.536 10.210 ( 0.000 0.000 -2.106) 2.106 11.813 ( 0.000 -0.000 -0.013) 0.013 11.813 ( 0.000 0.000 -0.013) 0.013 14.554 ( 0.000 0.000 -2.559) 2.559 14.554 ( 0.000 0.000 -2.559) 2.559 14.984 ( -0.000 -0.000 3.753) 3.753 14.984 ( 0.000 0.000 3.753) 3.753 17.081 ( 0.000 0.000 2.203) 2.203 17.081 ( 0.000 0.000 2.203) 2.203 18.231 ( 0.000 0.000 0.868) 0.868 19.912 ( 0.000 -0.000 -0.474) 0.474 21.415 ( 0.000 0.000 0.305) 0.305 21.630 ( 0.000 0.000 -1.329) 1.329 21.630 ( 0.000 0.000 -1.329) 1.329 22.545 ( 0.000 0.000 -0.624) 0.624 ======================= Grid point 158 (21/143) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 16.030 37.095 11.717) 42.074 1.044 ( 6.349 13.370 36.405) 39.299 1.739 ( 61.086 13.465 23.526) 66.831 3.689 ( -0.819 -12.780 -5.649) 13.997 4.026 ( 7.573 15.004 -10.145) 19.631 5.277 ( -35.052 -20.431 27.427) 48.973 6.083 ( 0.764 -0.084 0.445) 0.888 7.331 ( 1.511 1.538 -2.767) 3.508 7.376 ( 1.352 4.275 -0.623) 4.527 9.439 ( -5.204 -4.641 0.304) 6.979 10.017 ( -0.378 -1.748 1.503) 2.336 10.117 ( -6.392 -3.930 -3.398) 8.237 11.197 ( 17.776 9.587 -19.211) 27.875 11.811 ( 1.286 6.217 -2.940) 6.997 11.870 ( 7.101 -1.444 -0.009) 7.247 14.522 ( -5.600 5.182 -2.856) 8.147 14.629 ( 5.320 0.473 -0.284) 5.348 15.010 ( 5.140 -2.100 2.621) 6.140 16.863 ( 89.632 52.743 -95.201) 140.993 17.078 ( -0.616 1.123 2.330) 2.659 17.148 ( 6.331 2.640 1.471) 7.016 18.231 ( -0.120 -0.225 0.789) 0.830 19.930 ( 1.488 0.942 -0.399) 1.806 21.404 ( -2.149 -0.797 0.071) 2.294 21.513 ( -17.380 -1.845 3.679) 17.861 21.624 ( -0.217 -1.143 -1.215) 1.682 22.001 ( -20.902 -20.015 26.424) 39.188 ======================= Grid point 159 (22/143) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 10.070 15.341 25.786) 31.649 1.614 ( 23.808 31.948 2.184) 39.903 2.935 ( 55.821 14.768 9.698) 58.550 3.507 ( -4.896 -13.047 -4.174) 14.547 4.262 ( 6.787 13.994 -4.696) 16.247 4.807 ( -10.637 -5.362 12.546) 17.300 6.077 ( -0.881 -2.167 -0.086) 2.341 7.398 ( 3.783 2.983 -2.601) 5.475 7.440 ( 1.405 3.579 -0.269) 3.854 9.291 ( -6.243 -5.855 -0.381) 8.567 9.905 ( -11.684 -7.175 -2.894) 14.014 9.990 ( -0.521 -2.232 1.250) 2.610 11.145 ( -13.581 -6.652 -2.931) 15.405 11.974 ( -0.948 20.214 -2.136) 20.349 12.018 ( 17.069 -11.126 0.089) 20.375 14.467 ( -5.563 3.325 -2.286) 6.872 14.699 ( 2.756 -2.658 1.907) 4.278 15.164 ( 11.845 5.573 0.208) 13.092 17.092 ( 0.674 2.349 2.919) 3.807 17.325 ( 10.198 5.262 0.622) 11.492 18.150 ( 29.052 17.157 -62.236) 70.793 18.216 ( 0.209 -0.358 -1.869) 1.914 19.973 ( 1.769 1.319 0.017) 2.206 20.958 ( -28.945 -5.896 14.656) 32.975 21.403 ( -0.728 -1.086 0.143) 1.315 21.602 ( -1.149 -1.081 -1.331) 2.064 21.772 ( 1.460 -9.553 11.128) 14.739 ======================= Grid point 160 (23/143) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 11.799 16.046 15.945) 25.513 2.323 ( 25.421 25.785 -4.011) 36.430 3.285 ( -6.583 -10.757 -1.550) 12.706 3.652 ( 15.794 1.401 4.868) 16.586 4.539 ( 5.513 -0.551 -5.326) 7.685 4.973 ( 32.608 25.921 10.211) 42.889 5.982 ( -6.169 -6.292 -0.135) 8.813 7.495 ( 2.184 2.007 -0.284) 2.979 7.521 ( 6.054 4.948 -2.164) 8.113 9.127 ( -5.861 -5.434 -0.007) 7.992 9.592 ( -14.934 -9.436 -2.509) 17.842 9.950 ( -1.203 -3.432 0.566) 3.681 10.739 ( -23.260 -10.483 -1.529) 25.560 12.149 ( -0.909 18.638 -0.477) 18.666 12.206 ( 15.972 -8.856 1.652) 18.337 14.406 ( -4.210 1.635 -1.553) 4.776 14.671 ( -1.434 -4.269 1.966) 4.914 15.504 ( 17.615 10.209 -0.474) 20.365 17.157 ( 3.392 4.068 3.566) 6.385 17.583 ( 12.244 7.314 -1.440) 14.335 18.149 ( -3.803 -2.948 0.419) 4.830 18.539 ( 6.585 3.636 -28.499) 29.475 19.977 ( -3.521 -1.038 2.107) 4.232 20.529 ( -15.822 -0.450 0.502) 15.836 21.377 ( -0.695 -1.549 -0.570) 1.791 21.563 ( -2.125 -1.232 -1.659) 2.964 21.729 ( 2.726 -7.848 7.634) 11.282 ======================= Grid point 161 (24/143) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 11.005 13.675 10.765) 20.591 2.913 ( 11.280 11.750 -12.388) 20.464 3.115 ( 0.329 2.233 1.585) 2.758 3.759 ( 4.643 -1.796 7.986) 9.411 4.592 ( 4.461 -0.608 -3.139) 5.489 5.729 ( -13.103 -10.236 0.375) 16.631 6.025 ( 49.221 28.439 3.815) 56.974 7.556 ( 3.263 0.899 -0.261) 3.395 7.701 ( 8.190 6.548 -1.526) 10.596 9.002 ( -4.542 -1.914 0.243) 4.935 9.231 ( -14.477 -11.246 -1.936) 18.434 9.872 ( -1.793 -7.708 -0.499) 7.930 10.164 ( -31.415 -10.464 -0.880) 33.123 12.303 ( 0.868 12.181 0.639) 12.229 12.378 ( 10.803 -3.087 2.270) 11.462 14.358 ( -2.557 0.337 -0.895) 2.730 14.587 ( -3.331 -3.563 1.079) 4.995 15.925 ( 18.530 10.791 -0.457) 21.448 17.282 ( 5.700 4.738 3.948) 8.397 17.868 ( 11.542 8.246 -4.352) 14.838 18.027 ( -5.901 -4.191 1.146) 7.328 18.549 ( -4.331 -1.965 -5.988) 7.647 19.807 ( -11.203 -4.291 -0.347) 12.002 20.421 ( -1.868 4.345 -7.873) 9.184 21.351 ( -0.574 -1.601 -0.729) 1.851 21.508 ( -2.563 -1.405 -2.304) 3.722 21.703 ( 2.996 -7.367 6.762) 10.440 ======================= Grid point 162 (25/143) ======================= q-point: ( 0.42 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 9.862 10.424 7.716) 16.293 2.808 ( -9.669 -5.141 1.942) 11.122 3.344 ( -0.248 11.664 -16.163) 19.934 3.968 ( 18.558 4.987 8.696) 21.092 4.683 ( 6.201 0.440 -0.527) 6.239 5.338 ( -17.464 -13.806 1.297) 22.300 7.098 ( 44.134 23.241 -0.534) 49.882 7.616 ( 2.932 0.068 -0.086) 2.934 7.907 ( 7.307 5.370 -0.940) 9.116 8.841 ( -14.181 -2.340 -3.632) 14.825 9.001 ( 0.741 -5.951 2.905) 6.664 9.470 ( -28.752 -19.294 -0.646) 34.631 9.775 ( -6.912 0.915 -0.423) 6.985 12.410 ( 0.668 6.602 1.717) 6.854 12.503 ( 5.351 -0.028 2.187) 5.781 14.327 ( -0.906 -0.690 -0.465) 1.230 14.504 ( -2.937 -1.488 0.283) 3.305 16.304 ( 13.616 7.796 -0.617) 15.702 17.414 ( 4.294 2.317 3.265) 5.871 17.887 ( -3.939 -3.647 2.478) 5.912 18.122 ( 7.145 8.354 -6.386) 12.713 18.411 ( -7.924 -2.077 3.608) 8.952 19.591 ( -7.904 -3.969 -3.764) 9.612 20.462 ( 0.282 4.292 -8.158) 9.223 21.328 ( -0.289 -1.375 -0.281) 1.433 21.457 ( -1.746 -1.012 -3.261) 3.835 21.686 ( 3.382 -7.044 6.463) 10.140 ======================= Grid point 163 (26/143) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -0.122 0.211 1.416) 1.437 2.619 ( -2.328 4.033 9.810) 10.859 3.375 ( -4.234 7.333 -15.724) 17.859 4.229 ( 0.944 -1.635 0.436) 1.938 4.809 ( 2.694 -4.667 10.251) 11.581 4.996 ( 1.165 -2.018 -3.915) 4.556 7.629 ( 1.934 -3.351 -1.006) 3.998 7.850 ( -1.228 2.126 -0.181) 2.462 7.882 ( 2.004 -3.471 -4.493) 6.021 8.694 ( 0.503 -0.872 0.048) 1.008 8.968 ( -10.912 18.901 1.174) 21.856 9.025 ( 8.758 -15.170 1.406) 17.573 9.714 ( -0.604 1.047 -0.940) 1.531 12.449 ( -1.930 3.344 2.152) 4.420 12.550 ( 0.488 -0.845 2.108) 2.322 14.315 ( 0.498 -0.863 -0.323) 1.048 14.470 ( -0.502 0.869 -0.028) 1.004 16.474 ( 0.057 -0.099 -0.816) 0.824 17.454 ( 0.506 -0.876 2.039) 2.276 17.842 ( 0.877 -1.518 4.268) 4.614 18.249 ( -3.769 6.528 -6.324) 9.839 18.300 ( -0.484 0.838 4.288) 4.395 19.497 ( 0.321 -0.555 -3.855) 3.908 20.488 ( -1.667 2.887 -7.948) 8.619 21.318 ( 0.494 -0.856 0.100) 0.994 21.436 ( 0.031 -0.053 -3.813) 3.813 21.681 ( 3.888 -6.734 6.379) 10.057 ======================= Grid point 171 (27/143) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 11.146 19.306 24.675) 33.253 1.711 ( 17.811 30.850 19.738) 40.726 2.378 ( 28.341 49.089 2.100) 56.722 3.468 ( -5.861 -10.152 -7.984) 14.183 4.285 ( 6.516 11.287 -2.562) 13.282 4.888 ( -8.371 -14.499 14.913) 22.420 6.072 ( -0.765 -1.325 -0.514) 1.614 7.375 ( 2.033 3.522 -2.211) 4.629 7.461 ( 1.778 3.080 0.772) 3.640 9.319 ( -4.071 -7.051 -1.225) 8.233 9.957 ( -2.358 -4.084 0.698) 4.768 9.972 ( -6.028 -10.441 -3.178) 12.468 11.360 ( 1.824 3.160 -5.566) 6.655 11.670 ( -4.209 -7.290 0.715) 8.448 12.099 ( 7.488 12.969 -2.367) 15.161 14.453 ( -3.510 -6.080 0.758) 7.061 14.856 ( 8.028 13.906 -1.377) 16.116 14.974 ( 0.376 0.651 0.507) 0.906 17.094 ( 0.415 0.718 3.519) 3.616 17.268 ( 5.659 9.803 0.639) 11.337 17.941 ( 24.269 42.035 -75.342) 89.623 18.217 ( -0.746 -1.293 0.528) 1.583 19.964 ( 1.364 2.362 -0.218) 2.736 21.249 ( -13.405 -23.218 17.109) 31.803 21.409 ( -1.624 -2.813 2.169) 3.906 21.574 ( -1.338 -2.317 -1.941) 3.305 21.686 ( -2.830 -4.901 10.592) 12.009 ======================= Grid point 172 (28/143) ======================= q-point: ( 0.17 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 9.892 24.782 18.669) 32.566 2.289 ( 14.692 33.939 10.522) 38.450 3.260 ( 7.156 1.238 -4.911) 8.767 3.311 ( 18.404 7.814 -5.374) 20.704 4.464 ( 3.208 2.271 -2.254) 4.531 4.839 ( 10.682 15.051 11.942) 21.983 6.011 ( -3.596 -4.683 -1.572) 6.110 7.478 ( 4.571 5.529 -1.535) 7.336 7.493 ( 0.282 0.835 0.339) 0.944 9.172 ( -5.366 -5.817 -1.352) 8.029 9.719 ( -11.069 -10.851 -2.854) 15.761 9.862 ( -0.498 -10.692 -0.274) 10.707 11.168 ( -25.913 7.180 -0.509) 26.894 11.728 ( 20.720 -17.147 0.734) 26.905 12.329 ( 3.361 15.419 -0.303) 15.784 14.341 ( -0.535 -9.560 0.946) 9.622 14.883 ( -10.728 12.021 -0.083) 16.113 15.267 ( 19.863 7.561 -0.684) 21.264 17.123 ( 2.347 1.005 4.362) 5.054 17.511 ( 9.065 13.255 -0.468) 16.065 18.171 ( -2.391 -3.079 0.192) 3.903 18.465 ( 9.397 11.157 -39.097) 41.730 20.009 ( 0.414 2.244 0.340) 2.307 20.773 ( -17.393 -12.602 10.767) 24.026 21.374 ( -0.841 -1.731 -0.894) 2.122 21.543 ( 1.080 -4.841 -2.311) 5.472 21.637 ( -0.156 -3.133 4.790) 5.726 ======================= Grid point 173 (29/143) ======================= q-point: ( 0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( 4.520 27.907 14.442) 31.746 2.887 ( 17.840 30.156 -0.231) 35.039 3.118 ( -5.089 -5.368 -2.847) 7.926 3.663 ( 6.518 -0.638 2.627) 7.056 4.498 ( 4.526 -2.366 -5.100) 7.218 5.551 ( 37.971 30.335 6.902) 49.088 5.838 ( -9.456 -7.654 -1.970) 12.324 7.493 ( 1.770 -2.804 -0.380) 3.338 7.645 ( 6.859 7.692 -0.971) 10.352 9.041 ( -4.193 -3.573 -0.153) 5.511 9.393 ( -14.866 -9.673 -2.927) 17.976 9.717 ( -0.274 -18.191 -1.629) 18.266 10.735 ( -32.061 7.361 0.722) 32.903 11.922 ( 20.364 -16.291 1.856) 26.144 12.520 ( 0.989 15.694 1.305) 15.779 14.247 ( 1.605 -11.398 0.414) 11.518 14.811 ( -10.739 11.049 0.117) 15.408 15.703 ( 19.810 11.071 -0.530) 22.700 17.198 ( 5.414 0.365 4.682) 7.167 17.820 ( 9.644 16.065 -2.051) 18.849 18.072 ( -4.582 -4.863 0.335) 6.689 18.573 ( -0.558 -0.623 -12.913) 12.940 19.967 ( -8.576 0.210 1.510) 8.710 20.477 ( -5.493 -5.395 -2.593) 8.124 21.344 ( -0.624 -1.685 -1.672) 2.455 21.508 ( 0.278 -4.632 -3.132) 5.599 21.604 ( 0.334 -3.862 3.902) 5.501 ======================= Grid point 174 (30/143) ======================= q-point: ( 0.33 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 0.383 26.085 11.667) 28.578 2.980 ( -9.622 3.011 -0.321) 10.087 3.419 ( 8.392 17.764 -13.318) 23.735 3.732 ( 11.262 1.952 12.601) 17.013 4.585 ( 6.366 -0.008 -4.099) 7.571 5.508 ( -16.627 -11.346 -1.014) 20.155 6.557 ( 44.234 23.688 0.450) 50.179 7.506 ( 4.792 -6.058 -1.072) 7.798 7.849 ( 7.234 7.849 -0.286) 10.678 8.943 ( -3.649 -8.131 1.397) 9.021 9.043 ( -14.119 -7.748 -3.297) 16.440 9.503 ( -4.022 -14.632 -2.036) 15.311 10.261 ( -32.204 10.169 1.674) 33.813 12.084 ( 17.089 -16.220 2.518) 23.696 12.667 ( -1.288 14.432 2.478) 14.699 14.173 ( 3.376 -12.136 -0.226) 12.599 14.742 ( -10.413 11.960 0.313) 15.861 16.132 ( 16.958 10.540 -0.601) 19.976 17.299 ( 6.779 -2.312 3.824) 8.119 17.927 ( -5.401 -4.861 1.056) 7.342 18.134 ( 7.041 15.662 -3.252) 17.477 18.499 ( -4.579 -2.069 1.624) 5.280 19.748 ( -13.660 -1.783 -2.074) 13.931 20.440 ( 3.170 -2.759 -6.045) 7.363 21.320 ( -0.392 -1.343 -1.495) 2.047 21.465 ( -0.593 -3.254 -4.453) 5.547 21.576 ( 1.426 -4.815 3.653) 6.210 ======================= Grid point 175 (31/143) ======================= q-point: ( 0.42 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -0.307 21.113 9.405) 23.115 2.835 ( -14.682 9.238 4.133) 17.832 3.480 ( -2.653 2.054 -10.119) 10.661 4.128 ( 14.729 10.025 1.930) 17.921 4.711 ( 7.451 3.864 0.521) 8.409 5.080 ( -17.435 -12.138 -1.288) 21.283 7.408 ( 26.875 4.144 -3.890) 27.470 7.566 ( 15.719 -1.916 -1.522) 15.908 7.966 ( -2.780 -1.005 -0.399) 2.983 8.664 ( -7.309 -13.496 -2.626) 15.571 8.829 ( -2.060 -13.501 1.711) 13.764 9.398 ( -9.711 17.475 1.140) 20.024 9.898 ( -18.441 8.002 0.951) 20.125 12.176 ( 12.870 -17.420 2.814) 21.840 12.751 ( -4.474 12.268 3.136) 13.430 14.128 ( 5.378 -11.769 -0.678) 12.958 14.699 ( -9.099 13.416 0.446) 16.217 16.437 ( 7.404 5.785 -0.832) 9.433 17.352 ( 4.696 -6.957 1.708) 8.566 17.826 ( -1.589 -2.162 2.970) 4.003 18.285 ( 0.916 -0.588 2.816) 3.019 18.474 ( -5.192 15.242 0.344) 16.105 19.540 ( -7.041 -1.112 -4.196) 8.271 20.472 ( 3.352 -3.571 -5.891) 7.661 21.306 ( -0.008 -0.836 -0.731) 1.110 21.433 ( -0.071 -1.716 -5.784) 6.033 21.560 ( 2.495 -5.141 3.540) 6.722 ======================= Grid point 184 (32/143) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( 15.479 26.811 12.828) 33.511 2.865 ( 11.734 20.323 14.430) 27.549 3.187 ( 2.483 4.301 -6.961) 8.551 3.562 ( 4.517 7.825 -6.016) 10.855 4.435 ( -0.821 -1.422 -4.598) 4.882 5.374 ( 20.564 35.617 8.550) 42.007 5.884 ( -4.937 -8.551 -2.913) 10.295 7.463 ( -1.882 -3.260 -0.216) 3.771 7.623 ( 5.130 8.885 -0.797) 10.291 9.064 ( -3.108 -5.384 -0.722) 6.258 9.515 ( -5.459 -9.456 -3.000) 11.324 9.583 ( -9.717 -16.830 -1.692) 19.507 11.354 ( -4.041 -7.000 1.981) 8.322 11.359 ( -1.578 -2.733 0.613) 3.215 12.591 ( 6.554 11.352 1.475) 13.191 14.170 ( -4.380 -7.587 0.865) 8.803 15.004 ( 0.681 1.180 -0.104) 1.366 15.547 ( 11.339 19.640 -0.668) 22.688 17.149 ( 1.051 1.820 5.163) 5.574 17.820 ( 10.081 17.460 -1.310) 20.204 18.087 ( -3.166 -5.484 0.112) 6.334 18.573 ( 0.229 0.397 -15.758) 15.764 20.051 ( 0.702 1.216 -0.015) 1.404 20.499 ( -7.989 -13.838 2.727) 16.209 21.341 ( -0.853 -1.478 -2.174) 2.764 21.462 ( -1.780 -3.084 -2.247) 4.210 21.595 ( -1.143 -1.980 0.742) 2.404 ======================= Grid point 185 (33/143) ======================= q-point: ( 0.25 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.703 ( 1.783 29.949 11.464) 32.118 3.026 ( 7.206 -0.742 3.943) 8.247 3.514 ( 3.873 24.989 -5.948) 25.977 3.637 ( 5.286 2.929 5.311) 8.045 4.464 ( 5.691 -0.912 -5.708) 8.112 5.656 ( -11.513 -9.401 -3.047) 15.173 6.145 ( 30.871 27.699 1.607) 41.507 7.389 ( -0.015 -7.147 -1.454) 7.294 7.814 ( 6.362 9.022 0.074) 11.040 8.943 ( -4.526 -7.149 0.763) 8.496 9.158 ( -15.386 -20.653 -3.309) 25.965 9.443 ( 1.650 -0.563 -2.167) 2.781 10.926 ( -32.747 10.612 2.076) 34.487 11.561 ( 22.705 -20.477 2.318) 30.662 12.780 ( 2.854 10.913 2.984) 11.668 14.043 ( -1.030 -9.034 -0.007) 9.093 14.994 ( -5.641 7.043 0.399) 9.032 15.963 ( 15.859 15.350 -0.750) 22.083 17.194 ( 3.101 -0.524 4.828) 5.762 17.961 ( -4.514 -5.932 0.713) 7.489 18.160 ( 8.234 15.721 -2.174) 17.880 18.531 ( -1.561 -1.458 -0.716) 2.252 19.986 ( -12.090 1.496 -0.601) 12.197 20.310 ( 2.592 -11.452 -3.339) 12.207 21.317 ( -0.563 -1.006 -2.590) 2.835 21.416 ( 0.248 -3.996 -2.379) 4.657 21.554 ( -1.284 -2.025 -1.455) 2.805 ======================= Grid point 186 (34/143) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -3.996 13.263 11.216) 17.823 3.201 ( -3.372 22.277 4.270) 22.932 3.518 ( -3.006 -2.373 -4.395) 5.830 4.023 ( 12.150 21.509 1.626) 24.757 4.596 ( 9.660 1.198 -4.464) 10.708 5.303 ( -18.816 -8.879 -2.264) 20.929 6.919 ( 34.598 13.079 -3.297) 37.135 7.339 ( 4.553 -9.931 -2.392) 11.183 7.971 ( 2.238 2.515 0.820) 3.465 8.671 ( -12.722 -21.215 -4.456) 25.136 8.782 ( -5.124 -9.762 0.858) 11.058 9.594 ( 4.932 18.830 0.600) 19.475 10.458 ( -33.029 9.194 2.552) 34.380 11.711 ( 18.902 -21.758 2.910) 28.969 12.901 ( -0.520 9.422 4.026) 10.259 13.959 ( 1.862 -9.231 -0.800) 9.451 14.967 ( -7.240 10.333 0.843) 12.645 16.348 ( 12.305 11.510 -0.902) 16.874 17.218 ( 2.641 -5.842 2.690) 6.953 17.845 ( -3.027 -2.786 2.683) 4.911 18.257 ( -1.214 -4.920 2.959) 5.868 18.658 ( 4.315 19.296 1.009) 19.798 19.729 ( -15.592 -0.302 -3.332) 15.947 20.307 ( 7.459 -10.547 -3.660) 13.426 21.301 ( -0.330 -0.566 -1.817) 1.931 21.390 ( 1.148 -3.691 -3.041) 4.918 21.517 ( -0.675 -1.707 -2.997) 3.515 ======================= Grid point 187 (35/143) ======================= q-point: ( 0.42 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -4.735 8.202 11.814) 15.142 3.281 ( -14.353 24.861 4.225) 29.016 3.474 ( -0.923 1.599 -3.608) 4.053 4.268 ( -2.006 3.475 -2.356) 4.653 4.832 ( 3.958 -6.855 -5.410) 9.587 4.923 ( -6.223 10.779 1.209) 12.505 7.284 ( 6.021 -10.429 -3.670) 12.589 7.485 ( 7.545 -13.068 -5.286) 15.988 7.860 ( 3.467 -6.005 0.731) 6.972 8.462 ( 2.451 -4.245 -3.126) 5.814 8.667 ( 2.225 -3.853 0.577) 4.486 9.876 ( -13.718 23.760 3.012) 27.600 10.078 ( -7.894 13.673 1.792) 15.890 11.766 ( 13.964 -24.187 3.087) 28.098 12.944 ( -4.224 7.317 4.408) 9.529 13.929 ( 4.711 -8.160 -1.114) 9.488 14.956 ( -6.855 11.873 1.007) 13.747 16.532 ( -2.203 3.816 -0.937) 4.505 17.193 ( 4.772 -8.265 0.996) 9.595 17.811 ( -0.399 0.690 4.048) 4.126 18.202 ( 3.160 -5.472 5.918) 8.657 18.834 ( -10.042 17.393 0.489) 20.090 19.560 ( -2.281 3.950 -4.572) 6.458 20.322 ( 6.574 -11.386 -3.523) 13.611 21.295 ( 0.123 -0.213 -1.160) 1.185 21.382 ( 1.785 -3.091 -3.580) 5.055 21.502 ( 0.609 -1.056 -3.568) 3.771 ======================= Grid point 194 (36/143) ======================= q-point: (-0.08 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -7.789 13.492 25.839) 30.172 1.207 ( -17.793 30.818 -0.141) 35.586 2.782 ( -31.680 54.871 16.815) 65.553 3.702 ( 3.725 -6.452 2.918) 8.001 4.061 ( -3.433 5.945 -14.256) 15.823 4.880 ( 8.935 -15.476 15.784) 23.843 6.099 ( -0.214 0.370 0.523) 0.675 7.355 ( -1.585 2.745 -3.032) 4.386 7.405 ( -1.616 2.799 -1.428) 3.533 9.361 ( 3.228 -5.591 0.313) 6.464 9.981 ( 5.780 -10.011 -2.814) 11.898 9.990 ( 1.759 -3.046 2.034) 4.063 11.354 ( -0.848 1.469 -6.230) 6.457 11.628 ( 4.733 -8.197 -0.991) 9.517 12.142 ( -7.862 13.618 -0.679) 15.739 14.367 ( 3.538 -6.128 -2.367) 7.462 14.846 ( -7.779 13.473 -1.259) 15.608 15.049 ( -0.383 0.663 3.169) 3.260 17.060 ( 0.284 -0.491 2.078) 2.154 17.282 ( -5.525 9.570 1.252) 11.122 17.929 ( -24.491 42.419 -76.645) 90.960 18.225 ( 0.457 -0.792 0.833) 1.237 19.960 ( -1.187 2.056 -0.393) 2.406 21.013 ( 16.215 -28.086 15.114) 35.780 21.414 ( 0.303 -0.524 0.511) 0.792 21.610 ( 0.807 -1.398 -0.442) 1.674 21.893 ( 1.556 -2.695 13.993) 14.335 ======================= Grid point 198 (37/143) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 1.359 2.354 7.076) 7.580 3.291 ( 10.795 18.697 15.120) 26.357 3.548 ( 1.483 2.568 -8.152) 8.675 4.105 ( 13.526 23.427 1.471) 27.092 4.465 ( 0.861 1.492 -5.690) 5.945 5.447 ( -6.896 -11.944 -3.396) 14.204 6.653 ( 14.101 24.423 -3.078) 28.369 7.244 ( -3.899 -6.753 -2.784) 8.280 7.962 ( 2.109 3.652 1.200) 4.385 8.674 ( -13.646 -23.636 -4.889) 27.727 8.783 ( -4.821 -8.349 0.509) 9.655 9.643 ( 10.192 17.652 0.594) 20.392 11.114 ( -5.593 -9.687 2.706) 11.508 11.120 ( -3.865 -6.695 3.012) 8.297 12.952 ( 3.821 6.617 4.345) 8.790 13.896 ( -3.360 -5.819 -0.828) 6.770 15.092 ( 1.870 3.240 1.048) 3.885 16.289 ( 9.799 16.972 -1.018) 19.624 17.165 ( -1.785 -3.091 3.304) 4.863 17.859 ( -2.029 -3.515 2.567) 4.803 18.241 ( -3.426 -5.935 2.950) 7.461 18.713 ( 10.657 18.458 0.648) 21.323 20.007 ( -2.142 -3.710 -1.143) 4.434 20.050 ( -5.935 -10.279 -4.107) 12.560 21.303 ( -0.259 -0.448 -2.566) 2.618 21.357 ( -1.189 -2.059 -2.182) 3.227 21.518 ( -0.906 -1.570 -5.050) 5.366 ======================= Grid point 199 (38/143) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.037 ( -1.860 7.401 9.653) 12.305 3.339 ( 0.401 -6.702 7.883) 10.355 3.826 ( -1.474 28.554 -2.298) 28.684 4.344 ( -3.473 8.992 -2.583) 9.979 4.596 ( 13.762 -4.096 -4.138) 14.944 5.210 ( -12.005 1.055 -1.558) 12.151 7.087 ( 11.044 1.545 -5.000) 12.221 7.186 ( 10.770 -0.059 -3.787) 11.417 7.796 ( -10.092 -20.230 -0.868) 22.624 8.438 ( -0.072 -0.102 -3.302) 3.304 8.634 ( -3.256 -6.342 -0.166) 7.131 10.078 ( 12.956 28.402 2.677) 31.332 10.605 ( -34.229 5.330 3.162) 34.785 11.231 ( 19.015 -26.856 3.243) 33.066 13.040 ( -0.120 4.730 5.105) 6.961 13.817 ( 0.515 -5.017 -1.366) 5.225 15.131 ( -2.382 5.977 1.438) 6.592 16.586 ( 5.520 12.637 -0.986) 13.825 17.063 ( -1.116 -9.930 0.824) 10.026 17.841 ( -0.348 2.648 4.932) 5.609 18.106 ( -1.164 -8.779 6.062) 10.732 19.072 ( 5.013 20.460 0.705) 21.077 19.731 ( -15.103 0.559 -3.687) 15.557 20.045 ( 9.484 -15.209 -2.517) 18.100 21.297 ( -0.290 0.047 -1.772) 1.796 21.332 ( 0.625 -2.141 -2.257) 3.173 21.495 ( -0.349 -0.622 -7.276) 7.310 ======================= Grid point 205 (39/143) ======================= q-point: (-0.17 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -11.045 18.507 12.712) 25.022 1.910 ( -29.651 22.822 -4.716) 37.713 3.505 ( 12.067 -2.235 2.992) 12.631 3.623 ( -12.554 19.349 7.316) 24.197 4.403 ( -26.358 22.422 -7.595) 35.429 4.700 ( -1.135 -2.389 10.946) 11.261 6.071 ( 3.667 -1.487 0.828) 4.043 7.446 ( -5.082 4.003 -2.969) 7.118 7.457 ( -2.004 1.218 -1.088) 2.585 9.227 ( 6.508 -4.208 0.749) 7.787 9.735 ( 11.029 -9.859 -2.174) 14.952 9.912 ( 0.683 -8.806 1.772) 9.008 11.120 ( 26.442 4.729 -2.560) 26.983 11.673 ( -20.172 -18.232 -1.612) 27.238 12.370 ( -2.937 14.553 1.448) 14.917 14.274 ( -1.064 -9.228 -1.622) 9.430 14.929 ( 11.311 12.703 1.569) 17.081 15.268 ( -19.504 6.133 -0.390) 20.450 17.072 ( -2.943 -0.996 2.238) 3.829 17.511 ( -8.405 12.252 -0.489) 14.866 18.188 ( 2.449 -2.115 0.837) 3.343 18.467 ( -9.790 11.761 -40.399) 43.200 19.997 ( -0.085 1.511 0.021) 1.514 20.521 ( 11.347 -20.904 5.171) 24.341 21.400 ( 0.903 -0.333 0.153) 0.974 21.575 ( 1.371 -1.931 -0.080) 2.369 21.858 ( 3.063 2.704 9.521) 10.360 ======================= Grid point 211 (40/143) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -3.962 -6.863 8.778) 11.826 3.188 ( 3.962 6.863 8.778) 11.826 4.317 ( -9.100 -15.761 -2.325) 18.347 4.317 ( 9.100 15.761 -2.325) 18.347 4.456 ( -0.000 -0.000 -4.968) 4.968 5.263 ( -0.000 -0.000 -0.360) 0.360 7.045 ( -0.000 -0.000 -4.627) 4.627 7.392 ( -8.545 -14.801 -3.846) 17.518 7.392 ( 8.545 14.801 -3.846) 17.518 8.516 ( -2.831 -4.903 -1.294) 5.807 8.516 ( 2.831 4.903 -1.294) 5.807 10.612 ( 0.000 0.000 3.370) 3.370 10.687 ( -9.307 -16.120 3.340) 18.911 10.687 ( 9.307 16.120 3.340) 18.911 13.087 ( -0.000 -0.000 5.491) 5.491 13.767 ( -0.000 -0.000 -1.581) 1.581 15.192 ( -0.000 -0.000 1.670) 1.670 16.837 ( -6.272 -10.864 -0.502) 12.555 16.837 ( 6.272 10.864 -0.502) 12.555 17.943 ( -3.615 -6.261 6.270) 9.569 17.943 ( 3.615 6.261 6.270) 9.569 19.337 ( -0.000 -0.000 1.669) 1.669 19.785 ( -3.848 -6.664 -3.346) 8.391 19.785 ( 3.848 6.664 -3.346) 8.391 21.304 ( -0.402 -0.695 -1.884) 2.048 21.304 ( 0.402 0.695 -1.884) 2.048 21.490 ( -0.000 -0.000 -8.653) 8.653 ======================= Grid point 218 (41/143) ======================= q-point: (-0.25 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -10.432 20.002 6.089) 23.366 2.600 ( -27.018 16.383 -9.231) 32.918 3.271 ( 14.118 0.735 2.546) 14.365 3.768 ( -2.260 1.169 4.634) 5.287 4.602 ( -0.539 1.405 -1.252) 1.958 5.477 ( -45.021 32.647 5.144) 55.850 5.926 ( 9.961 -3.312 1.672) 10.630 7.501 ( -3.242 -1.020 -0.219) 3.405 7.602 ( -7.464 5.814 -2.677) 9.833 9.065 ( 7.204 -5.093 0.520) 8.838 9.435 ( 13.965 -6.265 -1.096) 15.345 9.780 ( 0.503 -16.961 0.985) 16.997 10.656 ( 32.402 4.927 -2.568) 32.875 11.853 ( -20.849 -17.716 -0.989) 27.377 12.537 ( -0.504 13.527 2.089) 13.697 14.213 ( -3.099 -10.660 -0.902) 11.138 14.838 ( 11.825 10.396 1.144) 15.787 15.699 ( -20.055 10.920 -0.605) 22.844 17.146 ( -7.147 -1.547 2.602) 7.762 17.793 ( -9.059 13.814 -3.226) 16.831 18.095 ( 5.081 -3.759 1.211) 6.435 18.573 ( 1.465 -1.214 -13.421) 13.556 19.917 ( 9.620 -3.120 -0.147) 10.115 20.291 ( -3.278 -10.479 -7.464) 13.276 21.378 ( 1.296 -0.164 0.036) 1.307 21.527 ( 1.872 -2.104 -0.068) 2.817 21.835 ( 3.673 4.226 8.213) 9.940 ======================= Grid point 219 (42/143) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -13.139 22.758 1.534) 26.324 2.419 ( -14.935 25.867 -5.845) 30.436 3.451 ( 0.847 -1.466 6.080) 6.312 3.725 ( 0.754 -1.306 -0.555) 1.607 4.602 ( 0.442 -0.766 0.633) 1.088 5.229 ( -27.185 47.086 5.527) 54.650 5.999 ( 3.592 -6.222 1.818) 7.411 7.465 ( 0.258 -0.446 -0.365) 0.632 7.565 ( -4.565 7.907 -3.091) 9.639 9.108 ( 4.812 -8.334 0.748) 9.653 9.556 ( 4.393 -7.609 -1.159) 8.862 9.663 ( 9.037 -15.653 1.499) 18.136 11.261 ( 2.964 -5.134 -3.477) 6.873 11.286 ( 4.235 -7.335 -0.789) 8.506 12.601 ( -5.372 9.304 2.025) 10.933 14.127 ( 3.424 -5.931 -0.856) 6.902 15.041 ( 0.184 -0.319 1.312) 1.363 15.536 ( -11.566 20.033 -0.960) 23.152 17.071 ( -0.663 1.149 1.992) 2.393 17.788 ( -8.850 15.328 -2.718) 17.907 18.120 ( 2.810 -4.866 1.421) 5.796 18.580 ( 0.130 -0.226 -16.519) 16.521 20.028 ( -0.414 0.718 -0.918) 1.236 20.165 ( 8.208 -14.216 -6.415) 17.624 21.388 ( 0.445 -0.771 0.360) 0.960 21.532 ( 1.346 -2.331 0.662) 2.772 21.890 ( -0.470 0.815 8.791) 8.841 ======================= Grid point 231 (43/143) ======================= q-point: (-0.33 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -7.648 18.423 4.469) 20.442 3.040 ( 13.809 1.875 3.580) 14.388 3.073 ( -13.473 4.282 -17.671) 22.630 3.903 ( -9.599 10.421 8.363) 16.453 4.664 ( -3.998 3.178 -0.785) 5.167 5.603 ( 18.206 -6.505 2.804) 19.536 6.592 ( -45.723 27.513 2.204) 53.408 7.548 ( -4.605 -3.315 0.534) 5.699 7.804 ( -8.723 6.249 -2.028) 10.921 8.861 ( 8.259 -10.522 -2.328) 13.577 9.163 ( 12.104 -5.389 1.814) 13.373 9.555 ( 5.315 -16.360 0.031) 17.201 10.166 ( 31.183 9.288 -2.234) 32.614 12.016 ( -18.437 -17.913 -0.255) 25.707 12.655 ( 1.267 11.680 2.039) 11.925 14.167 ( -4.256 -11.363 -0.438) 12.142 14.746 ( 11.130 11.204 0.436) 15.798 16.132 ( -17.109 10.803 -0.518) 20.240 17.271 ( -9.369 -3.237 2.879) 10.322 17.954 ( 5.909 -4.199 2.396) 7.635 18.070 ( -6.709 13.725 -6.841) 16.739 18.452 ( 6.339 -7.011 0.134) 9.452 19.699 ( 10.095 -3.180 -4.431) 11.474 20.320 ( -7.291 -6.629 -8.776) 13.196 21.355 ( 1.322 0.169 0.244) 1.355 21.475 ( 1.839 -1.652 -0.477) 2.518 21.816 ( 3.742 4.965 7.833) 10.001 ======================= Grid point 232 (44/143) ======================= q-point: (-0.25 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -6.340 22.820 -3.591) 23.955 2.802 ( -12.445 1.750 -5.110) 13.567 3.458 ( 12.221 19.678 -0.428) 23.168 3.790 ( -12.959 3.310 4.053) 13.975 4.614 ( -2.758 0.203 0.675) 2.846 5.802 ( 11.432 -6.181 3.010) 13.340 6.181 ( -34.754 33.643 3.636) 48.506 7.450 ( -1.396 -3.905 0.806) 4.225 7.742 ( -6.545 7.934 -2.807) 10.662 8.901 ( 7.865 -10.760 -1.221) 13.384 9.264 ( 14.114 -19.928 0.973) 24.439 9.507 ( -0.827 -0.409 0.444) 1.024 10.819 ( 33.268 9.659 -2.427) 34.727 11.462 ( -23.160 -21.776 -1.570) 31.828 12.748 ( -1.953 8.333 1.793) 8.744 14.031 ( 0.083 -7.732 -0.445) 7.746 15.001 ( 6.460 5.874 0.660) 8.756 15.963 ( -16.231 15.945 -0.641) 22.762 17.119 ( -4.554 -0.930 1.897) 5.020 18.000 ( 4.837 -5.686 2.150) 7.768 18.092 ( -8.153 15.277 -5.336) 18.120 18.485 ( 5.289 -6.916 -2.426) 9.038 19.871 ( 12.357 -1.615 -7.660) 14.628 20.107 ( -7.985 -8.520 -6.487) 13.358 21.372 ( 0.722 -0.298 0.616) 0.995 21.486 ( 1.516 -2.038 1.002) 2.731 21.897 ( 1.240 2.250 8.538) 8.916 ======================= Grid point 244 (45/143) ======================= q-point: (-0.42 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -6.361 11.482 5.037) 14.060 2.820 ( 18.196 11.376 2.469) 21.601 3.203 ( -6.277 -7.365 -18.080) 20.507 4.219 ( -8.297 10.914 3.545) 14.161 4.818 ( -8.714 9.188 3.133) 13.044 5.186 ( 20.894 -7.410 3.425) 22.432 7.531 ( -32.613 12.412 0.653) 34.901 7.591 ( -8.058 -0.899 0.071) 8.108 7.956 ( -0.421 -0.873 -1.066) 1.441 8.633 ( 2.543 -9.097 -3.703) 10.146 8.808 ( 11.681 -22.078 1.180) 25.006 9.402 ( 11.066 15.436 1.118) 19.025 9.842 ( 14.710 6.788 -1.489) 16.269 12.114 ( -14.295 -19.451 0.291) 24.141 12.719 ( 3.577 9.625 1.876) 10.438 14.138 ( -5.566 -11.301 -0.291) 12.601 14.689 ( 9.252 12.972 0.051) 15.934 16.441 ( -7.307 6.093 -0.632) 9.535 17.361 ( -6.323 -7.024 2.387) 9.747 17.855 ( 1.357 -1.797 4.916) 5.407 18.257 ( -0.411 9.314 -8.908) 12.895 18.286 ( 3.674 -4.734 1.990) 6.314 19.547 ( 5.104 0.088 -3.872) 6.407 20.368 ( -5.988 -7.440 -8.630) 12.872 21.339 ( 0.974 0.701 0.675) 1.377 21.440 ( 0.720 -0.672 -1.047) 1.437 21.806 ( 3.455 5.437 7.733) 10.064 ======================= Grid point 245 (46/143) ======================= q-point: (-0.33 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( -0.290 11.602 -1.265) 11.674 2.943 ( -8.463 -5.733 -9.293) 13.815 3.405 ( 17.864 25.131 -2.230) 30.914 4.168 ( -13.689 15.551 4.641) 21.231 4.717 ( -9.126 2.063 0.468) 9.368 5.470 ( 18.957 -7.149 4.326) 20.717 7.056 ( -36.060 18.867 2.554) 40.778 7.442 ( -4.070 -6.759 1.685) 8.068 7.912 ( -4.793 3.423 -1.665) 6.121 8.654 ( 8.593 -9.602 -3.976) 13.485 8.795 ( 13.077 -24.075 0.438) 27.401 9.610 ( -2.451 15.412 0.954) 15.635 10.348 ( 31.671 8.527 -1.997) 32.859 11.613 ( -19.770 -23.009 -1.030) 30.354 12.836 ( 0.544 6.964 1.419) 7.128 13.970 ( -2.271 -8.429 -0.371) 8.738 14.956 ( 7.549 9.613 0.375) 12.228 16.357 ( -12.268 12.099 -0.440) 17.236 17.182 ( -5.499 -5.510 1.583) 7.944 17.871 ( 3.482 -3.753 3.661) 6.294 18.241 ( 2.049 -6.906 2.434) 7.604 18.413 ( -0.259 13.091 -9.716) 16.304 19.673 ( 9.420 0.205 -5.873) 11.103 20.158 ( -8.036 -9.643 -7.332) 14.536 21.360 ( 0.752 0.449 1.020) 1.345 21.446 ( 1.046 -1.360 0.892) 1.934 21.896 ( 1.930 3.129 8.484) 9.247 ======================= Grid point 246 (47/143) ======================= q-point: (-0.25 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -5.899 10.218 -11.777) 16.670 2.767 ( 0.967 -1.676 -1.754) 2.611 3.804 ( -6.372 11.036 4.516) 13.520 4.057 ( -14.223 24.634 -0.558) 28.451 4.621 ( -0.529 0.917 0.978) 1.441 5.615 ( 7.249 -12.556 3.540) 14.925 6.814 ( -17.211 29.810 3.761) 34.627 7.367 ( 2.312 -4.005 2.034) 5.052 7.886 ( -3.120 5.403 -2.025) 6.559 8.687 ( 5.959 -10.321 -3.279) 12.361 8.785 ( 14.150 -24.509 -0.239) 28.302 9.663 ( -7.818 13.542 1.082) 15.674 10.949 ( 5.997 -10.387 -3.997) 12.643 11.049 ( 3.895 -6.746 0.134) 7.790 12.875 ( -2.701 4.678 1.246) 5.544 13.907 ( 2.827 -4.896 -0.378) 5.666 15.079 ( -1.415 2.451 0.525) 2.879 16.303 ( -10.146 17.574 -0.391) 20.296 17.104 ( 0.701 -1.213 1.174) 1.828 17.885 ( 2.948 -5.106 3.224) 6.720 18.222 ( 4.077 -7.062 2.507) 8.531 18.479 ( -6.558 11.359 -9.570) 16.237 19.819 ( 2.966 -5.138 -11.275) 12.740 19.976 ( 2.011 -3.484 -2.424) 4.697 21.369 ( -0.029 0.050 1.119) 1.120 21.448 ( 1.018 -1.763 1.602) 2.591 21.928 ( -0.599 1.037 8.733) 8.815 ======================= Grid point 256 (48/143) ======================= q-point: (-0.42 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 1.853 3.210 0.815) 3.795 2.988 ( -3.866 -6.696 -12.454) 14.659 3.375 ( 18.063 31.287 -1.538) 36.160 4.378 ( 3.099 5.367 2.045) 6.526 4.958 ( -2.941 -5.093 0.116) 5.882 5.113 ( 4.885 8.461 7.244) 12.162 7.430 ( -4.792 -8.300 2.280) 9.852 7.671 ( -6.424 -11.127 2.301) 13.053 7.850 ( -1.274 -2.207 0.146) 2.553 8.491 ( -3.421 -5.925 -1.678) 7.044 8.528 ( -1.966 -3.406 -4.949) 6.322 9.827 ( 12.862 22.277 0.947) 25.740 9.996 ( 6.622 11.469 -1.702) 13.353 11.670 ( -14.778 -25.596 -0.804) 29.567 12.866 ( 3.120 5.404 1.262) 6.366 13.947 ( -4.496 -7.787 -0.401) 9.000 14.938 ( 6.660 11.536 0.316) 13.324 16.543 ( 2.420 4.192 -0.445) 4.861 17.192 ( -5.190 -8.990 1.246) 10.455 17.828 ( -0.343 -0.594 5.058) 5.104 18.151 ( -3.551 -6.151 3.743) 8.028 18.510 ( 7.089 12.278 -13.377) 19.492 19.586 ( 2.210 3.828 -3.489) 5.631 20.181 ( -6.466 -11.200 -7.572) 14.986 21.356 ( 0.581 1.007 1.310) 1.751 21.429 ( -0.292 -0.506 0.688) 0.903 21.895 ( 2.011 3.483 8.480) 9.385 ======================= Grid point 258 (49/143) ======================= q-point: (-0.33 0.58 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 3.596 3.493 -4.127) 6.494 2.839 ( -5.427 -4.669 -11.701) 13.718 3.980 ( 10.666 30.133 3.260) 32.131 4.449 ( -3.342 11.059 1.887) 11.706 4.721 ( -14.975 -3.109 0.991) 15.326 5.329 ( 12.732 -6.294 3.094) 14.536 7.287 ( -5.235 -1.878 3.158) 6.396 7.366 ( -16.326 7.554 3.771) 18.380 7.852 ( 6.421 -11.212 1.653) 13.025 8.442 ( 3.508 -7.152 -3.412) 8.666 8.516 ( 3.931 -5.927 -5.024) 8.708 10.014 ( -10.918 24.252 -0.191) 26.597 10.485 ( 32.262 5.164 -1.720) 32.718 11.119 ( -18.724 -26.717 -1.118) 32.644 12.936 ( 0.130 3.333 0.881) 3.450 13.841 ( -0.608 -4.561 -0.450) 4.624 15.109 ( 2.429 5.604 0.555) 6.133 16.604 ( -5.232 12.788 -0.182) 13.818 17.048 ( -0.350 -8.364 0.543) 8.389 17.832 ( 0.439 0.361 4.343) 4.380 18.055 ( 2.052 -9.541 4.089) 10.582 18.692 ( -1.079 12.244 -14.954) 19.357 19.699 ( 6.773 2.406 -4.870) 8.682 19.955 ( -6.007 -10.371 -4.893) 12.945 21.374 ( 0.195 0.921 1.583) 1.842 21.420 ( 0.325 -1.282 1.688) 2.144 21.941 ( 0.520 1.494 8.829) 8.970 ======================= Grid point 271 (50/143) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -1.608 -2.785 -8.363) 8.960 2.762 ( 1.608 2.785 -8.363) 8.960 4.478 ( -8.296 -14.369 4.027) 17.073 4.478 ( 8.296 14.369 4.027) 17.073 4.600 ( -0.000 -0.000 0.862) 0.862 5.265 ( 0.000 0.000 -0.267) 0.267 7.239 ( 0.000 0.000 3.262) 3.262 7.580 ( -6.518 -11.289 4.285) 13.721 7.580 ( 6.518 11.289 4.285) 13.721 8.430 ( -1.495 -2.589 -5.320) 6.103 8.430 ( 1.495 2.589 -5.320) 6.103 10.423 ( 0.000 0.000 -4.311) 4.311 10.613 ( -9.273 -16.061 0.314) 18.548 10.613 ( 9.273 16.061 0.314) 18.548 12.969 ( 0.000 0.000 0.677) 0.677 13.795 ( 0.000 0.000 -0.493) 0.493 15.166 ( 0.000 0.000 0.654) 0.654 16.849 ( -5.826 -10.092 0.086) 11.653 16.849 ( 5.826 10.092 0.086) 11.653 17.896 ( -3.023 -5.236 4.295) 7.416 17.896 ( 3.023 5.236 4.295) 7.416 18.826 ( 0.000 0.000 -17.702) 17.702 19.782 ( -3.265 -5.655 -3.535) 7.425 19.782 ( 3.265 5.655 -3.535) 7.425 21.395 ( -0.600 -1.039 1.870) 2.222 21.395 ( 0.600 1.039 1.870) 2.222 21.956 ( 0.000 0.000 8.938) 8.938 ======================= Grid point 314 (51/143) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 0.000 27.876) 27.876 1.241 ( 0.000 0.000 27.876) 27.876 2.117 ( 0.000 -0.000 46.481) 46.481 3.646 ( 0.000 0.000 -8.146) 8.146 3.646 ( 0.000 0.000 -8.146) 8.146 6.094 ( 0.000 -0.000 1.147) 1.147 6.275 ( 0.000 0.000 -3.536) 3.536 7.238 ( 0.000 -0.000 -4.178) 4.178 7.238 ( 0.000 0.000 -4.178) 4.178 9.597 ( 0.000 -0.000 -5.141) 5.141 10.071 ( 0.000 -0.000 2.270) 2.270 10.071 ( 0.000 0.000 2.270) 2.270 10.151 ( 0.000 0.000 -3.458) 3.458 11.813 ( 0.000 -0.000 -0.054) 0.054 11.813 ( 0.000 0.000 -0.054) 0.054 14.494 ( 0.000 0.000 -3.060) 3.060 14.494 ( 0.000 0.000 -3.060) 3.060 15.075 ( 0.000 0.000 4.735) 4.735 15.075 ( 0.000 0.000 4.735) 4.735 17.143 ( 0.000 -0.000 3.662) 3.662 17.143 ( 0.000 0.000 3.662) 3.662 18.255 ( 0.000 0.000 1.352) 1.352 19.899 ( 0.000 -0.000 -0.749) 0.749 21.423 ( -0.000 0.000 0.487) 0.487 21.594 ( 0.000 -0.000 -2.154) 2.154 21.594 ( 0.000 0.000 -2.154) 2.154 22.528 ( 0.000 0.000 -0.974) 0.974 ======================= Grid point 315 (52/143) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 2.305 28.067 20.386) 34.765 1.736 ( 17.290 7.403 29.764) 35.209 2.340 ( 32.830 4.245 32.721) 46.546 3.522 ( 0.543 -13.519 -9.956) 16.798 3.863 ( 5.736 17.259 -7.585) 19.706 5.651 ( -33.926 -21.476 10.621) 41.533 6.095 ( 0.228 -0.624 0.695) 0.961 7.258 ( 1.365 1.965 -4.136) 4.778 7.334 ( 2.720 5.738 -3.473) 7.238 9.435 ( -5.991 -5.424 -0.842) 8.125 10.030 ( -5.906 -3.769 -4.656) 8.412 10.057 ( -0.119 -2.439 2.204) 3.289 10.853 ( 31.810 19.015 -12.577) 39.136 11.776 ( -2.444 3.431 -0.906) 4.309 11.869 ( 6.572 -0.972 -0.145) 6.645 14.459 ( -5.346 5.305 -3.034) 8.120 14.604 ( 8.255 1.373 -2.146) 8.639 15.078 ( 3.723 -4.367 3.716) 6.836 15.792 ( 53.146 33.499 -23.569) 67.098 17.145 ( -0.481 1.954 3.910) 4.397 17.198 ( 5.209 1.423 3.012) 6.183 18.252 ( -0.240 -0.364 1.253) 1.327 19.919 ( 1.624 1.059 -0.649) 2.044 21.401 ( -3.069 -1.483 -0.178) 3.413 21.510 ( -9.202 -0.824 -1.576) 9.372 21.590 ( 0.215 -1.911 -2.108) 2.854 22.292 ( -15.054 -11.889 6.500) 20.254 ======================= Grid point 316 (53/143) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 13.592 29.758 7.291) 33.518 1.915 ( 0.321 11.593 30.148) 32.302 3.183 ( 48.151 3.786 12.265) 49.833 3.385 ( 0.190 -14.064 -6.432) 15.466 4.143 ( 6.153 19.240 -7.061) 21.399 5.083 ( -13.220 -7.722 13.200) 20.215 6.075 ( -1.053 -3.081 -0.187) 3.262 7.329 ( 3.891 3.695 -3.814) 6.583 7.418 ( 1.273 4.865 -1.953) 5.394 9.280 ( -5.659 -6.443 -0.670) 8.602 9.829 ( -11.078 -7.141 -4.223) 13.840 10.023 ( -0.602 -3.267 1.837) 3.797 11.068 ( -9.825 -3.504 -4.210) 11.249 11.928 ( 3.702 19.449 -2.082) 19.908 12.015 ( 15.983 -8.162 -0.376) 17.951 14.413 ( -5.215 4.117 -2.678) 7.163 14.738 ( 4.616 -1.136 1.556) 5.002 15.170 ( 10.122 3.272 0.418) 10.646 17.038 ( 47.647 28.675 -40.843) 68.998 17.174 ( 1.021 3.861 4.561) 6.063 17.343 ( 8.587 3.891 0.961) 9.476 18.232 ( -1.295 -1.461 1.097) 2.240 19.968 ( 2.188 1.684 -0.437) 2.795 21.088 ( -27.235 -6.481 1.189) 28.021 21.408 ( -1.743 -1.448 0.216) 2.276 21.566 ( -0.490 -2.336 -2.086) 3.170 21.995 ( -4.519 -10.925 8.955) 14.831 ======================= Grid point 317 (54/143) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 3.421 14.004 21.300) 25.720 2.231 ( 14.966 23.395 -4.255) 28.096 3.249 ( -0.558 -10.303 -1.994) 10.509 3.772 ( 15.856 0.415 6.383) 17.098 4.401 ( 7.301 2.054 -7.914) 10.961 5.224 ( 26.464 20.536 13.285) 36.036 5.976 ( -5.145 -7.140 -0.427) 8.811 7.464 ( 6.393 5.887 -3.151) 9.244 7.481 ( 2.084 2.622 -1.162) 3.546 9.127 ( -4.865 -5.643 -0.020) 7.451 9.525 ( -14.393 -9.643 -3.799) 17.736 9.966 ( -1.442 -5.221 0.938) 5.497 10.697 ( -23.637 -8.813 -2.421) 25.342 12.147 ( -0.334 19.998 0.253) 20.003 12.239 ( 17.907 -8.255 1.356) 19.764 14.368 ( -3.787 2.556 -1.982) 4.980 14.719 ( -1.917 -4.921 2.571) 5.874 15.489 ( 17.652 10.022 -0.936) 20.320 17.255 ( 3.483 5.361 5.600) 8.499 17.533 ( 9.070 5.689 -4.024) 11.438 17.915 ( 27.559 16.450 -26.753) 41.783 18.177 ( -2.277 -2.444 0.711) 3.415 20.003 ( -1.006 0.276 0.475) 1.147 20.529 ( -26.810 -5.952 -0.537) 27.468 21.369 ( -0.852 -2.178 -0.240) 2.351 21.526 ( -1.348 -2.789 -1.988) 3.681 21.880 ( 0.797 -8.553 6.475) 10.757 ======================= Grid point 318 (55/143) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.287 ( 5.333 14.064 15.002) 21.243 2.614 ( 7.650 12.383 -15.387) 21.181 3.175 ( -1.261 -1.703 3.701) 4.264 3.921 ( 6.406 1.437 7.298) 9.817 4.501 ( 7.019 -1.280 -5.584) 9.060 5.738 ( -10.826 -10.594 0.382) 15.152 6.129 ( 43.622 24.582 5.905) 50.419 7.546 ( 3.546 0.818 -0.731) 3.712 7.661 ( 8.590 7.646 -2.268) 11.721 9.007 ( -6.699 -1.048 0.292) 6.787 9.180 ( -11.017 -12.206 -2.880) 16.693 9.862 ( -1.389 -11.867 -0.323) 11.953 10.137 ( -32.195 -5.956 -1.706) 32.785 12.324 ( 1.058 14.451 1.369) 14.554 12.433 ( 11.650 -3.625 2.902) 12.541 14.335 ( -2.138 0.997 -1.221) 2.657 14.615 ( -4.213 -4.393 1.509) 6.271 15.911 ( 18.541 10.731 -0.849) 21.439 17.387 ( 5.280 4.927 5.746) 9.229 17.739 ( 7.320 7.076 -7.979) 12.935 18.064 ( -3.615 -3.060 2.499) 5.355 18.394 ( 11.870 7.720 -8.300) 16.413 19.802 ( -17.768 -6.716 0.113) 18.995 20.249 ( -4.155 3.018 -8.021) 9.524 21.339 ( -0.141 -2.209 -0.408) 2.250 21.467 ( -1.900 -3.168 -1.843) 4.128 21.828 ( 2.300 -7.861 5.075) 9.636 ======================= Grid point 319 (56/143) ======================= q-point: ( 0.42 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 3.256 6.972 6.402) 10.010 2.770 ( 1.970 8.854 -8.239) 12.254 3.120 ( -7.620 3.285 -0.970) 8.354 4.107 ( 11.340 2.755 4.960) 12.680 4.649 ( 10.902 1.864 -2.952) 11.447 5.382 ( -15.252 -14.334 2.887) 21.129 7.085 ( 40.058 19.387 -0.640) 44.507 7.610 ( 3.440 -0.345 -0.520) 3.496 7.879 ( 6.986 5.615 -1.686) 9.120 8.772 ( -13.572 -2.438 -2.886) 14.088 9.053 ( 2.458 -4.577 2.086) 5.599 9.455 ( -26.072 -19.685 -0.671) 32.675 9.762 ( -9.391 2.669 -0.838) 9.799 12.456 ( 0.192 9.424 2.522) 9.758 12.560 ( 5.934 -1.219 3.185) 6.844 14.315 ( -0.517 -0.602 -0.651) 1.027 14.512 ( -3.694 -1.767 0.415) 4.116 16.286 ( 13.363 7.543 -1.051) 15.381 17.490 ( 2.633 0.192 3.649) 4.503 17.875 ( 1.677 1.701 -7.928) 8.280 18.046 ( 2.347 7.068 3.908) 8.410 18.508 ( -3.175 1.201 5.621) 6.567 19.485 ( -9.880 -4.611 -6.246) 12.565 20.266 ( -0.291 4.019 -10.036) 10.814 21.323 ( 0.554 -1.732 -0.208) 1.830 21.407 ( -1.252 -3.081 -1.863) 3.812 21.800 ( 3.257 -7.543 4.373) 9.307 ======================= Grid point 320 (57/143) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( -0.720 1.247 -2.317) 2.728 2.879 ( -3.601 6.237 14.614) 16.292 3.022 ( -4.783 8.285 -15.921) 18.574 4.238 ( 1.433 -2.481 0.390) 2.892 4.886 ( 2.013 -3.487 -6.532) 7.674 5.035 ( 2.713 -4.699 10.824) 12.108 7.607 ( 2.995 -5.188 -0.913) 6.060 7.766 ( 2.570 -4.451 -6.333) 8.156 7.836 ( -1.986 3.440 -1.286) 4.175 8.699 ( 1.012 -1.752 0.435) 2.069 8.988 ( -9.221 15.972 0.780) 18.459 9.068 ( 6.425 -11.128 2.479) 13.087 9.690 ( -1.083 1.876 -1.371) 2.563 12.505 ( -3.158 5.469 3.053) 7.014 12.606 ( 0.968 -1.676 3.149) 3.696 14.307 ( 0.753 -1.304 -0.442) 1.569 14.469 ( -0.755 1.308 -0.041) 1.510 16.451 ( 0.105 -0.182 -1.312) 1.328 17.497 ( 1.099 -1.904 1.948) 2.938 17.889 ( 1.456 -2.521 -4.406) 5.281 18.165 ( -6.286 10.888 3.314) 13.002 18.424 ( -0.802 1.390 7.609) 7.776 19.386 ( 0.545 -0.944 -6.866) 6.952 20.286 ( -1.783 3.088 -10.990) 11.554 21.320 ( 0.755 -1.307 0.150) 1.517 21.378 ( 1.182 -2.048 -2.112) 3.170 21.790 ( 4.124 -7.143 4.153) 9.235 ======================= Grid point 328 (58/143) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 10.114 17.518 19.669) 28.215 2.111 ( 14.631 25.342 17.964) 34.337 2.607 ( 16.251 28.147 18.990) 37.643 3.299 ( -5.211 -9.026 -7.868) 13.059 4.196 ( 8.776 15.200 -6.467) 18.706 5.176 ( -11.121 -19.262 12.379) 25.454 6.066 ( -1.446 -2.505 -0.088) 2.894 7.310 ( 2.294 3.974 -3.891) 6.016 7.450 ( 2.378 4.118 -1.949) 5.139 9.298 ( -4.373 -7.575 -0.833) 8.786 9.891 ( -5.783 -10.016 -4.368) 12.363 9.984 ( -2.757 -4.776 1.807) 5.803 11.226 ( 6.764 11.715 -6.896) 15.184 11.677 ( -4.043 -7.002 0.006) 8.086 12.056 ( 8.347 14.458 -1.621) 16.773 14.444 ( -2.693 -4.665 -1.543) 5.603 14.809 ( 8.614 14.920 -3.015) 17.490 15.013 ( -0.549 -0.951 3.024) 3.217 16.746 ( 31.021 53.731 -39.956) 73.795 17.182 ( 0.974 1.687 4.745) 5.130 17.292 ( 4.717 8.170 1.444) 9.544 18.235 ( -0.893 -1.547 1.112) 2.105 19.957 ( 1.480 2.563 -0.510) 3.003 21.302 ( -7.093 -12.285 -2.105) 14.340 21.449 ( -3.199 -5.541 0.095) 6.399 21.531 ( -1.378 -2.386 -2.149) 3.494 21.973 ( -8.553 -14.815 11.889) 20.833 ======================= Grid point 329 (59/143) ======================= q-point: ( 0.17 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 9.109 16.692 15.936) 24.810 2.484 ( -2.635 36.690 9.059) 37.883 3.157 ( -0.247 -6.916 -5.059) 8.573 3.320 ( 33.827 7.324 6.321) 35.183 4.377 ( 0.311 2.174 -6.366) 6.734 5.102 ( 10.153 13.720 13.042) 21.481 5.985 ( -3.613 -6.022 -0.952) 7.087 7.424 ( 5.167 6.411 -3.365) 8.895 7.489 ( -0.305 1.052 -0.958) 1.455 9.153 ( -4.552 -5.773 -0.465) 7.366 9.646 ( -10.763 -10.640 -3.906) 15.630 9.868 ( -1.300 -12.192 0.828) 12.289 11.141 ( -24.772 9.221 -2.034) 26.511 11.734 ( 21.669 -16.510 -0.213) 27.243 12.331 ( 4.719 17.666 0.454) 18.291 14.344 ( -1.292 -8.063 -0.683) 8.194 14.896 ( -10.027 11.404 1.235) 15.236 15.246 ( 20.188 6.848 -1.290) 21.356 17.228 ( 2.592 1.989 5.421) 6.330 17.495 ( 7.081 11.883 -1.648) 13.931 17.673 ( 26.250 31.194 -33.543) 52.794 18.186 ( -2.096 -3.274 1.073) 4.033 20.008 ( 1.303 2.171 -0.365) 2.558 20.863 ( -22.425 -16.726 -0.456) 27.980 21.369 ( -1.968 -2.462 0.270) 3.163 21.495 ( 0.412 -4.419 -2.174) 4.942 21.794 ( -1.292 -7.809 8.680) 11.747 ======================= Grid point 330 (60/143) ======================= q-point: ( 0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 4.995 21.380 12.901) 25.466 2.772 ( -3.668 29.431 -7.361) 30.558 3.129 ( 3.533 -1.380 2.470) 4.526 3.771 ( 14.786 -0.417 7.126) 16.419 4.375 ( 4.119 -2.600 -6.812) 8.375 5.711 ( 32.548 26.277 8.179) 42.624 5.809 ( -8.426 -9.476 -0.764) 12.704 7.483 ( 1.409 -3.056 -0.693) 3.436 7.607 ( 7.339 8.603 -2.560) 11.594 9.046 ( -2.746 -2.731 0.669) 3.930 9.324 ( -15.080 -9.468 -3.562) 18.159 9.690 ( -1.042 -20.136 -0.851) 20.181 10.733 ( -31.795 9.128 -0.922) 33.092 11.952 ( 21.531 -16.112 0.940) 26.909 12.559 ( 1.717 17.456 2.379) 17.701 14.247 ( 0.876 -10.761 -0.412) 10.805 14.823 ( -10.490 10.323 0.997) 14.751 15.686 ( 20.101 10.916 -1.122) 22.901 17.307 ( 4.932 0.488 5.489) 7.395 17.749 ( 6.637 15.185 -4.870) 17.272 18.089 ( -3.176 -3.394 1.026) 4.760 18.261 ( 15.150 14.256 -15.298) 25.822 19.991 ( -7.795 -1.680 0.722) 8.006 20.374 ( -14.040 -9.572 -6.265) 18.111 21.322 ( -0.760 -2.457 -0.391) 2.601 21.451 ( -0.397 -4.401 -2.199) 4.936 21.722 ( 0.748 -6.962 6.413) 9.495 ======================= Grid point 331 (61/143) ======================= q-point: ( 0.33 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -2.122 24.416 11.900) 27.244 2.894 ( -5.394 14.889 -10.561) 19.034 3.225 ( 0.722 5.835 -2.654) 6.450 3.955 ( 9.905 3.359 9.110) 13.870 4.488 ( 9.499 0.069 -5.180) 10.820 5.507 ( -14.306 -11.911 0.928) 18.639 6.579 ( 39.807 19.440 1.646) 44.331 7.488 ( 4.898 -6.800 -0.662) 8.407 7.828 ( 7.535 8.789 -1.712) 11.702 8.927 ( -11.294 -13.384 -3.128) 17.790 9.019 ( -5.774 -3.163 1.248) 6.701 9.465 ( -3.258 -13.303 -1.558) 13.785 10.280 ( -32.031 11.277 0.089) 33.958 12.132 ( 17.835 -16.122 1.927) 24.119 12.730 ( -1.133 15.945 3.393) 16.341 14.165 ( 2.973 -12.334 -0.510) 12.697 14.752 ( -10.529 12.041 0.602) 16.006 16.114 ( 16.927 10.257 -1.046) 19.820 17.383 ( 4.900 -3.760 3.763) 7.233 17.934 ( -2.872 3.462 -2.851) 5.326 18.069 ( 5.093 10.468 -0.258) 11.644 18.525 ( 4.310 5.322 0.865) 6.903 19.679 ( -17.812 -5.305 -4.334) 19.084 20.264 ( 1.810 -2.007 -9.732) 10.100 21.296 ( 0.306 -1.891 -0.630) 2.017 21.397 ( -1.174 -3.755 -2.182) 4.498 21.676 ( 2.080 -7.234 5.323) 9.219 ======================= Grid point 332 (62/143) ======================= q-point: ( 0.42 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -12.258 24.533 2.331) 27.524 2.978 ( 0.473 10.375 6.937) 12.489 3.203 ( -7.208 4.590 -11.491) 14.320 4.171 ( 7.047 3.746 1.880) 8.199 4.701 ( 14.031 3.500 -2.596) 14.692 5.115 ( -16.162 -11.830 4.998) 20.643 7.336 ( 27.367 3.955 -2.926) 27.805 7.531 ( 11.326 -6.054 -1.702) 12.955 7.951 ( -3.392 0.832 -1.181) 3.687 8.608 ( -3.772 -13.743 -2.571) 14.482 8.848 ( -2.079 -15.805 0.169) 15.942 9.430 ( -6.788 20.277 1.807) 21.459 9.909 ( -20.690 9.026 0.128) 22.573 12.233 ( 13.204 -17.508 2.501) 22.071 12.826 ( -4.869 13.594 3.854) 14.945 14.113 ( 5.390 -12.255 -0.750) 13.409 14.708 ( -9.415 13.959 0.430) 16.842 16.415 ( 7.244 5.636 -1.250) 9.263 17.386 ( 3.411 -8.344 1.265) 9.103 17.891 ( -1.621 0.530 1.850) 2.516 18.316 ( 6.299 14.354 0.351) 15.680 18.519 ( -8.899 2.519 5.550) 10.786 19.420 ( -7.057 -1.675 -7.366) 10.337 20.287 ( 2.399 -2.307 -11.075) 11.564 21.295 ( 0.997 -1.013 -0.293) 1.451 21.347 ( -0.442 -2.853 -2.489) 3.812 21.652 ( 3.417 -7.183 4.797) 9.289 ======================= Grid point 341 (63/143) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 12.155 21.054 8.907) 25.891 3.033 ( 2.029 3.514 -7.505) 8.531 3.169 ( 12.065 20.898 14.140) 27.969 3.488 ( 5.837 10.111 -0.292) 11.678 4.331 ( -1.744 -3.021 -5.713) 6.694 5.560 ( 17.116 29.645 9.254) 35.460 5.837 ( -5.294 -9.170 -1.575) 10.705 7.455 ( -2.234 -3.870 -0.598) 4.508 7.585 ( 5.632 9.755 -2.726) 11.590 9.060 ( -2.379 -4.120 0.279) 4.765 9.445 ( -5.201 -9.008 -3.484) 10.970 9.559 ( -10.722 -18.571 -0.610) 21.453 11.348 ( -0.955 -1.655 -1.675) 2.541 11.388 ( -3.499 -6.060 1.274) 7.112 12.633 ( 7.580 13.128 2.466) 15.358 14.180 ( -4.613 -7.990 0.020) 9.226 15.013 ( 0.702 1.215 0.877) 1.655 15.523 ( 11.444 19.821 -1.526) 22.938 17.265 ( 1.136 1.968 5.766) 6.197 17.770 ( 8.925 15.459 -3.661) 18.223 18.103 ( -2.884 -4.995 1.513) 5.962 18.194 ( 12.034 20.843 -19.037) 30.687 20.043 ( 0.490 0.849 -0.760) 1.240 20.467 ( -12.499 -21.648 -4.629) 25.422 21.318 ( -1.452 -2.516 0.007) 2.905 21.420 ( -1.698 -2.941 -1.697) 3.797 21.682 ( -2.534 -4.389 6.362) 8.134 ======================= Grid point 342 (64/143) ======================= q-point: ( 0.25 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.877 ( 5.232 23.704 3.115) 24.473 3.074 ( 4.395 3.539 0.684) 5.684 3.410 ( -11.055 23.160 -1.212) 25.692 3.789 ( 17.581 5.663 8.282) 20.242 4.339 ( 5.825 -0.777 -6.333) 8.639 5.613 ( -9.979 -10.256 -0.967) 14.343 6.198 ( 26.336 22.629 3.481) 34.896 7.367 ( -0.443 -8.020 -0.726) 8.065 7.795 ( 6.951 10.137 -1.845) 12.429 8.946 ( -5.237 -8.390 -0.643) 9.912 9.101 ( -15.627 -21.819 -1.985) 26.911 9.407 ( 3.170 2.357 -1.074) 4.094 10.952 ( -32.599 11.739 0.307) 34.650 11.595 ( 23.677 -20.140 0.947) 31.099 12.852 ( 3.420 12.377 3.728) 13.371 14.039 ( -1.570 -9.717 -0.352) 9.850 15.007 ( -5.534 7.556 0.818) 9.401 15.941 ( 15.986 15.120 -1.277) 22.040 17.297 ( 1.699 -1.569 4.715) 5.251 17.995 ( -3.504 -2.807 2.109) 4.960 18.081 ( 7.988 14.575 -4.910) 17.331 18.496 ( 6.751 9.355 -2.604) 11.827 19.942 ( -16.225 -3.000 -4.053) 16.991 20.162 ( 2.156 -11.670 -8.889) 14.827 21.279 ( -0.464 -1.700 -0.583) 1.856 21.372 ( -0.577 -3.319 -1.533) 3.701 21.605 ( -1.028 -5.157 5.022) 7.271 ======================= Grid point 343 (65/143) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.060 ( 0.615 10.025 5.203) 11.312 3.267 ( -1.444 20.803 -1.037) 20.878 3.367 ( -12.077 11.988 -3.815) 17.439 4.100 ( 8.281 11.244 4.628) 14.711 4.506 ( 12.546 1.739 -4.127) 13.321 5.295 ( -15.690 -8.876 1.571) 18.095 6.868 ( 31.619 10.246 -1.510) 33.272 7.303 ( 4.510 -10.891 -1.006) 11.831 7.976 ( 2.566 4.415 -0.388) 5.121 8.577 ( -12.797 -23.037 -4.363) 26.711 8.778 ( -4.986 -11.568 -1.216) 12.655 9.617 ( 6.352 21.464 1.552) 22.438 10.496 ( -33.044 10.057 1.007) 34.556 11.761 ( 19.405 -21.606 1.741) 29.093 12.991 ( -0.455 10.645 4.431) 11.539 13.941 ( 1.568 -9.893 -0.915) 10.058 14.987 ( -7.353 11.025 0.972) 13.288 16.325 ( 12.343 11.344 -1.211) 16.808 17.269 ( 0.360 -7.770 2.032) 8.040 17.929 ( -1.930 0.173 4.921) 5.289 18.303 ( 4.724 5.260 0.507) 7.088 18.664 ( 2.071 12.336 0.952) 12.545 19.608 ( -16.291 -1.839 -8.559) 18.494 20.158 ( 6.090 -8.689 -9.457) 14.213 21.270 ( 0.720 -0.713 -0.813) 1.299 21.331 ( -0.759 -2.666 -1.676) 3.239 21.549 ( 0.860 -5.659 4.378) 7.206 ======================= Grid point 344 (66/143) ======================= q-point: ( 0.42 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.135 ( -3.051 5.284 10.665) 12.287 3.287 ( -2.838 4.916 -12.925) 14.116 3.367 ( -17.328 30.013 3.224) 34.806 4.236 ( -1.416 2.453 -0.637) 2.903 4.718 ( 3.159 -5.472 -5.255) 8.218 5.017 ( -3.114 5.394 7.089) 9.437 7.225 ( 6.345 -10.990 -1.891) 12.830 7.388 ( 6.938 -12.017 -3.870) 14.406 7.880 ( 3.835 -6.642 1.196) 7.762 8.383 ( 3.061 -5.302 -4.363) 7.518 8.651 ( 2.940 -5.091 -1.872) 6.170 9.940 ( -13.898 24.073 3.001) 27.958 10.105 ( -8.508 14.736 0.726) 17.031 11.821 ( 14.023 -24.288 2.026) 28.119 13.041 ( -4.744 8.217 4.680) 10.580 13.904 ( 4.935 -8.548 -1.179) 9.940 14.978 ( -7.229 12.521 1.051) 14.497 16.509 ( -2.234 3.869 -1.197) 4.625 17.211 ( 5.007 -8.672 0.639) 10.034 17.920 ( -1.425 2.468 5.727) 6.397 18.356 ( 2.762 -4.784 8.818) 10.405 18.771 ( -9.370 16.230 -5.827) 19.626 19.436 ( -2.316 4.012 -7.398) 8.729 20.170 ( 5.454 -9.446 -10.329) 15.022 21.281 ( 0.336 -0.582 -0.161) 0.691 21.303 ( 0.779 -1.349 -2.443) 2.897 21.528 ( 2.990 -5.179 4.164) 7.287 ======================= Grid point 351 (67/143) ======================= q-point: (-0.08 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -11.595 20.083 12.191) 26.199 1.820 ( -1.097 1.900 32.635) 32.708 3.145 ( -26.487 45.876 17.747) 55.867 3.726 ( 1.460 -2.528 -0.680) 2.997 3.742 ( -4.221 7.310 -16.651) 18.668 5.196 ( 12.093 -20.946 13.687) 27.791 6.105 ( -0.035 0.061 0.060) 0.093 7.279 ( -1.623 2.810 -4.052) 5.191 7.366 ( -1.782 3.086 -2.584) 4.402 9.356 ( 3.083 -5.341 -0.772) 6.215 9.905 ( 5.400 -9.353 -4.289) 11.621 10.035 ( 1.846 -3.197 2.118) 4.256 11.201 ( -5.514 9.550 -7.726) 13.465 11.613 ( 4.863 -8.423 -0.445) 9.736 12.121 ( -9.052 15.679 -1.249) 18.147 14.327 ( 3.028 -5.244 -1.483) 6.235 14.816 ( -7.887 13.660 -1.734) 15.869 15.112 ( 0.255 -0.441 2.867) 2.912 16.717 ( -31.096 53.860 -40.639) 74.292 17.128 ( 0.098 -0.170 4.334) 4.339 17.313 ( -4.502 7.798 1.654) 9.155 18.246 ( 0.471 -0.816 1.143) 1.481 19.950 ( -1.220 2.113 -0.529) 2.496 21.147 ( 13.658 -23.657 1.682) 27.368 21.423 ( 0.699 -1.211 0.269) 1.424 21.588 ( 0.544 -0.942 -1.718) 2.034 22.121 ( 4.358 -7.548 7.666) 11.608 ======================= Grid point 355 (68/143) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 2.377 4.117 4.564) 6.590 3.313 ( 7.104 12.304 -11.465) 18.256 3.626 ( 4.617 7.996 13.974) 16.749 4.132 ( 12.143 21.032 1.003) 24.307 4.347 ( 1.242 2.152 -5.576) 6.104 5.405 ( -6.305 -10.921 -0.458) 12.618 6.615 ( 11.988 20.763 -0.434) 23.980 7.204 ( -4.374 -7.576 -1.033) 8.808 7.973 ( 3.256 5.640 -0.162) 6.515 8.573 ( -15.099 -26.152 -4.540) 30.537 8.768 ( -5.372 -9.305 -1.913) 10.913 9.668 ( 11.588 20.071 1.715) 23.240 11.141 ( -5.067 -8.777 -0.181) 10.136 11.180 ( -3.681 -6.375 2.619) 7.814 13.048 ( 4.389 7.602 4.653) 9.935 13.877 ( -3.784 -6.555 -0.953) 7.628 15.117 ( 2.180 3.775 1.244) 4.533 16.264 ( 9.784 16.947 -1.280) 19.610 17.228 ( -3.423 -5.930 2.531) 7.300 17.948 ( -0.246 -0.425 5.865) 5.886 18.286 ( 1.839 3.186 0.163) 3.683 18.702 ( 7.940 13.753 -0.501) 15.888 19.844 ( -5.745 -9.950 -14.891) 18.808 19.965 ( -2.881 -4.989 -2.815) 6.412 21.260 ( -0.134 -0.232 -0.832) 0.874 21.323 ( -1.055 -1.828 -0.987) 2.330 21.515 ( -2.298 -3.980 3.628) 5.855 ======================= Grid point 356 (69/143) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 1.441 5.285 5.059) 7.457 3.347 ( -2.728 -1.606 -6.808) 7.508 3.874 ( -3.360 26.925 6.525) 27.907 4.300 ( -3.667 6.473 -1.693) 7.630 4.524 ( 12.824 -2.531 -2.413) 13.292 5.206 ( -9.205 0.966 1.202) 9.333 7.007 ( 12.185 2.402 -2.508) 12.670 7.131 ( 8.435 -1.897 -1.426) 8.762 7.789 ( -11.065 -23.575 0.230) 26.044 8.350 ( 1.576 2.566 -4.990) 5.828 8.602 ( -3.427 -7.415 -2.696) 8.602 10.132 ( 13.291 29.008 2.307) 31.991 10.657 ( -34.063 5.838 1.684) 34.601 11.285 ( 19.056 -26.506 1.884) 32.700 13.149 ( -0.103 5.414 5.148) 7.472 13.788 ( 0.421 -5.447 -1.414) 5.643 15.163 ( -2.441 6.471 1.554) 7.088 16.564 ( 5.658 12.902 -1.062) 14.128 17.077 ( -1.995 -11.602 0.477) 11.782 17.977 ( -0.172 4.744 7.786) 9.119 18.258 ( 0.460 -6.812 8.201) 10.671 18.991 ( 3.998 17.407 -8.092) 19.608 19.603 ( -13.098 1.245 -8.879) 15.873 19.934 ( 7.496 -13.358 -7.393) 17.009 21.268 ( 0.775 0.403 -0.684) 1.109 21.294 ( -0.701 -1.202 -0.954) 1.688 21.456 ( 0.141 -3.614 2.757) 4.548 ======================= Grid point 362 (70/143) ======================= q-point: (-0.17 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -17.442 16.110 9.601) 25.611 1.919 ( -12.365 7.775 14.999) 20.936 3.517 ( 14.719 5.225 -2.186) 15.771 3.734 ( -8.304 4.554 3.610) 10.135 4.245 ( -24.935 22.591 -7.040) 34.376 4.994 ( -6.019 3.179 16.109) 17.488 6.075 ( 3.650 -1.061 -0.444) 3.827 7.375 ( -5.549 4.014 -3.609) 7.741 7.429 ( -2.774 1.431 -1.788) 3.597 9.231 ( 6.254 -3.599 -0.348) 7.224 9.673 ( 10.662 -9.063 -3.688) 14.471 9.945 ( 1.489 -9.342 1.301) 9.549 11.064 ( 25.463 5.471 -2.755) 26.189 11.645 ( -20.936 -18.014 -0.921) 27.635 12.397 ( -4.157 16.457 1.044) 17.006 14.248 ( -1.113 -8.044 -0.859) 8.166 14.957 ( 10.292 12.877 1.122) 16.523 15.258 ( -18.546 4.666 -0.550) 19.132 17.148 ( -3.506 -1.058 4.910) 6.125 17.490 ( -6.470 10.599 -2.955) 12.764 17.658 ( -26.638 30.726 -32.894) 52.304 18.212 ( 2.148 -1.906 1.128) 3.085 19.992 ( -1.249 1.213 -0.398) 1.786 20.606 ( 17.693 -26.739 2.845) 32.188 21.401 ( 1.227 -0.316 -0.028) 1.268 21.559 ( 1.520 -1.112 -1.420) 2.359 22.017 ( 4.475 0.654 5.728) 7.298 ======================= Grid point 368 (71/143) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( -1.985 -3.438 0.285) 3.980 3.287 ( 1.985 3.438 0.285) 3.980 4.319 ( -8.024 -13.897 2.727) 16.277 4.319 ( 8.024 13.897 2.727) 16.277 4.363 ( -0.000 -0.000 -3.847) 3.847 5.254 ( -0.000 -0.000 -0.498) 0.498 6.974 ( -0.000 -0.000 -2.060) 2.060 7.336 ( -9.344 -16.184 -1.490) 18.747 7.336 ( 9.344 16.184 -1.490) 18.747 8.464 ( -3.418 -5.919 -3.567) 7.710 8.464 ( 3.418 5.919 -3.567) 7.710 10.651 ( 0.000 0.000 0.318) 0.318 10.755 ( -9.251 -16.023 2.948) 18.735 10.755 ( 9.251 16.023 2.948) 18.735 13.203 ( -0.000 -0.000 5.410) 5.410 13.733 ( -0.000 -0.000 -1.608) 1.608 15.229 ( -0.000 -0.000 1.794) 1.794 16.826 ( -6.703 -11.611 -0.518) 13.417 16.826 ( 6.703 11.611 -0.518) 13.417 18.105 ( -3.887 -6.732 9.066) 11.942 18.105 ( 3.887 6.732 9.066) 11.942 19.206 ( -0.000 -0.000 -13.780) 13.780 19.689 ( -4.580 -7.932 -5.822) 10.853 19.689 ( 4.580 7.932 -5.822) 10.853 21.279 ( -0.275 -0.477 -0.488) 0.736 21.279 ( 0.275 0.477 -0.488) 0.736 21.418 ( -0.000 -0.000 1.757) 1.757 ======================= Grid point 375 (72/143) ======================= q-point: (-0.25 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -10.568 8.536 13.272) 18.992 2.428 ( -16.965 16.271 -6.972) 24.519 3.318 ( 12.815 3.064 2.064) 13.337 3.852 ( -7.241 -0.750 3.587) 8.115 4.530 ( -1.332 5.058 -5.423) 7.534 5.641 ( -37.580 27.805 9.910) 47.787 5.947 ( 8.154 -1.750 0.332) 8.346 7.487 ( -3.917 -0.570 -1.247) 4.150 7.544 ( -8.202 5.796 -2.752) 10.414 9.069 ( 7.975 -6.137 -0.197) 10.065 9.396 ( 12.954 -3.623 -2.539) 13.689 9.789 ( 1.320 -18.374 -0.184) 18.423 10.609 ( 32.293 5.526 -1.850) 32.814 11.845 ( -22.294 -18.154 0.264) 28.752 12.589 ( -0.889 14.212 2.779) 14.509 14.198 ( -3.119 -9.832 -0.541) 10.329 14.862 ( 12.109 9.488 1.060) 15.420 15.683 ( -20.280 10.759 -0.906) 22.975 17.230 ( -7.786 -2.226 5.138) 9.590 17.704 ( -5.697 11.563 -5.424) 13.985 18.118 ( 3.314 -1.199 0.237) 3.532 18.251 ( -14.241 12.646 -15.030) 24.262 19.928 ( 11.720 -8.629 1.173) 14.601 20.166 ( 2.136 -13.370 -4.671) 14.323 21.376 ( 1.547 0.273 -0.165) 1.580 21.515 ( 2.428 -1.024 -1.160) 2.879 21.965 ( 4.288 3.503 4.355) 7.045 ======================= Grid point 376 (73/143) ======================= q-point: (-0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -6.722 11.643 9.584) 16.510 2.360 ( -14.699 25.459 0.041) 29.398 3.569 ( 1.015 -1.758 5.324) 5.698 3.679 ( 0.012 -0.021 -3.395) 3.395 4.545 ( -2.419 4.190 -5.363) 7.223 5.437 ( -22.450 38.885 13.018) 46.749 6.015 ( 3.135 -5.430 -0.373) 6.281 7.447 ( -0.231 0.400 -1.326) 1.404 7.499 ( -4.785 8.289 -3.126) 10.069 9.113 ( 5.286 -9.156 -0.295) 10.576 9.516 ( 3.338 -5.781 -2.587) 7.159 9.679 ( 9.744 -16.878 -0.051) 19.489 11.194 ( 2.999 -5.194 -2.781) 6.611 11.284 ( 3.749 -6.493 0.651) 7.526 12.654 ( -5.777 10.007 2.874) 11.907 14.115 ( 3.199 -5.542 -0.218) 6.403 15.066 ( 0.578 -1.001 1.009) 1.534 15.513 ( -11.684 20.238 -1.189) 23.399 17.147 ( -0.634 1.099 5.128) 5.282 17.716 ( -7.055 12.219 -4.323) 14.756 18.151 ( 2.428 -4.205 1.543) 5.095 18.179 ( -11.883 20.582 -19.888) 30.989 20.009 ( -0.046 0.081 -0.897) 0.902 20.094 ( 13.754 -23.822 -1.069) 27.528 21.392 ( 0.360 -0.624 -0.044) 0.722 21.530 ( 1.020 -1.767 -0.876) 2.220 22.022 ( 0.033 -0.058 4.029) 4.029 ======================= Grid point 388 (74/143) ======================= q-point: (-0.33 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.396 ( -11.300 10.668 9.197) 18.058 2.718 ( -2.378 9.052 -15.592) 18.186 3.140 ( 9.999 -0.421 5.654) 11.495 4.041 ( -10.490 8.150 5.284) 14.296 4.616 ( -4.762 4.931 -3.761) 7.819 5.651 ( 17.060 -4.778 1.675) 17.796 6.646 ( -41.398 25.558 2.864) 48.736 7.547 ( -4.839 -2.733 -0.744) 5.607 7.763 ( -9.864 6.366 -1.873) 11.889 8.812 ( 10.753 -12.263 -2.299) 16.471 9.186 ( 9.970 -4.149 0.373) 10.806 9.542 ( 5.266 -16.385 -1.211) 17.253 10.133 ( 30.470 9.907 -0.840) 32.052 12.027 ( -19.831 -18.623 1.296) 27.235 12.713 ( 1.182 11.756 3.463) 12.312 14.157 ( -4.270 -11.210 -0.501) 12.006 14.756 ( 11.564 10.936 0.564) 15.926 16.118 ( -17.066 10.713 -0.894) 20.169 17.350 ( -9.330 -4.916 4.245) 11.368 17.895 ( -2.711 11.836 -9.358) 15.330 18.023 ( 3.173 -2.521 4.253) 5.875 18.467 ( -2.734 -0.010 1.189) 2.981 19.590 ( 11.301 -7.920 -5.616) 14.899 20.149 ( -5.097 -5.658 -7.370) 10.597 21.357 ( 1.337 0.854 -0.059) 1.587 21.461 ( 2.841 -0.404 -1.013) 3.043 21.935 ( 4.038 4.755 3.640) 7.222 ======================= Grid point 389 (75/143) ======================= q-point: (-0.25 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -8.973 11.300 0.636) 14.444 2.735 ( -6.265 9.885 -0.943) 11.741 3.477 ( 15.422 17.004 2.091) 23.051 3.860 ( -18.209 2.869 3.008) 18.678 4.587 ( -1.955 1.351 -3.325) 4.087 5.842 ( 10.377 -5.774 0.655) 11.893 6.277 ( -31.669 31.368 5.348) 44.894 7.450 ( -1.825 -3.008 -0.853) 3.620 7.687 ( -7.216 8.353 -2.369) 11.290 8.873 ( 9.533 -12.377 -1.435) 15.689 9.261 ( 13.839 -21.539 -1.249) 25.632 9.505 ( -1.364 1.863 -0.629) 2.393 10.782 ( 32.939 9.953 -0.964) 34.423 11.449 ( -23.975 -21.687 0.314) 32.330 12.807 ( -1.971 8.376 3.698) 9.366 14.022 ( 0.165 -7.785 -0.381) 7.796 15.017 ( 6.723 5.823 0.779) 8.928 15.946 ( -16.475 15.972 -1.036) 22.969 17.189 ( -4.254 -1.762 4.558) 6.479 17.955 ( -5.653 13.191 -7.559) 16.220 18.052 ( 3.644 -4.380 2.848) 6.370 18.433 ( -3.201 3.735 -2.568) 5.549 19.697 ( 10.902 -10.649 -7.736) 17.091 20.015 ( -2.907 -5.111 -3.132) 6.662 21.380 ( 0.657 0.121 0.061) 0.671 21.492 ( 1.669 -1.263 -0.459) 2.143 22.018 ( 1.476 1.936 3.171) 3.997 ======================= Grid point 401 (76/143) ======================= q-point: (-0.42 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( -6.585 12.817 9.259) 17.128 2.760 ( 2.361 4.666 -15.841) 16.682 2.955 ( 8.901 -4.208 2.885) 10.259 4.271 ( -3.652 7.743 1.494) 8.691 4.829 ( -11.748 9.292 -2.165) 15.134 5.274 ( 19.580 -4.667 4.941) 20.726 7.509 ( -32.241 16.200 -2.468) 36.167 7.590 ( -4.225 -3.851 -0.519) 5.740 7.924 ( 1.238 -0.518 -2.018) 2.423 8.569 ( -1.529 -9.120 -2.225) 9.511 8.828 ( 12.120 -25.097 0.715) 27.879 9.429 ( 9.321 16.771 1.411) 19.239 9.817 ( 15.184 7.131 -0.813) 16.795 12.138 ( -15.332 -20.545 1.908) 25.706 12.779 ( 3.529 9.528 3.678) 10.806 14.127 ( -5.662 -11.574 -0.664) 12.902 14.694 ( 9.624 13.323 0.348) 16.439 16.423 ( -7.030 6.143 -1.127) 9.403 17.411 ( -5.630 -8.608 1.954) 10.470 18.000 ( 0.579 5.086 4.406) 6.754 18.017 ( -1.217 3.936 -7.271) 8.357 18.402 ( 2.482 -6.682 7.669) 10.470 19.433 ( 3.873 0.426 -7.092) 8.092 20.177 ( -4.877 -6.608 -9.487) 12.548 21.348 ( 0.953 1.293 0.223) 1.621 21.420 ( 1.894 0.821 -1.078) 2.329 21.921 ( 3.588 5.463 3.330) 7.335 ======================= Grid point 402 (77/143) ======================= q-point: (-0.33 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -8.819 5.034 -2.682) 10.503 2.798 ( 0.324 -3.082 -1.473) 3.431 3.405 ( 19.139 28.305 1.742) 34.213 4.243 ( -12.487 11.891 2.670) 17.449 4.695 ( -10.365 2.952 -2.541) 11.073 5.541 ( 16.956 -6.699 2.427) 18.392 7.090 ( -33.325 18.806 0.534) 38.269 7.456 ( -4.107 -5.901 -0.477) 7.206 7.882 ( -6.193 4.923 -1.174) 7.998 8.575 ( 10.692 -11.297 -3.513) 15.946 8.782 ( 12.353 -26.446 -1.524) 29.228 9.630 ( -2.690 16.097 0.984) 16.350 10.325 ( 30.933 9.018 -0.111) 32.221 11.612 ( -20.553 -23.362 0.981) 31.131 12.893 ( 0.552 6.806 3.975) 7.901 13.957 ( -2.161 -8.732 -0.827) 9.033 14.969 ( 7.770 9.995 0.868) 12.690 16.343 ( -12.248 12.213 -0.977) 17.324 17.229 ( -4.650 -7.127 2.570) 8.889 17.972 ( 0.745 -2.183 5.856) 6.294 18.149 ( -1.520 12.470 -10.269) 16.226 18.386 ( 4.136 -7.181 6.945) 10.812 19.517 ( 5.241 0.091 -9.087) 10.490 20.015 ( -4.728 -7.938 -6.389) 11.233 21.374 ( 0.625 0.950 0.262) 1.167 21.453 ( 1.673 -0.445 -0.256) 1.750 22.012 ( 2.035 3.049 2.763) 4.591 ======================= Grid point 403 (78/143) ======================= q-point: (-0.25 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -4.196 7.268 -6.209) 10.439 2.782 ( 1.383 -2.395 3.106) 4.158 3.888 ( -7.619 13.196 3.763) 15.695 4.055 ( -13.569 23.503 0.367) 27.141 4.604 ( -0.550 0.953 -2.660) 2.878 5.666 ( 7.006 -12.134 1.215) 14.064 6.874 ( -16.530 28.631 1.875) 33.113 7.384 ( 1.857 -3.217 -0.441) 3.741 7.851 ( -4.283 7.419 -1.268) 8.660 8.625 ( 7.087 -12.275 -2.521) 14.397 8.749 ( 15.316 -26.527 -3.170) 30.795 9.685 ( -7.960 13.786 1.098) 15.957 10.888 ( 5.600 -9.700 -1.630) 11.318 11.072 ( 3.735 -6.469 2.020) 7.738 12.932 ( -2.612 4.524 4.095) 6.638 13.894 ( 3.013 -5.218 -0.862) 6.087 15.097 ( -1.536 2.661 1.117) 3.269 16.288 ( -10.279 17.804 -1.010) 20.583 17.150 ( 1.601 -2.773 3.031) 4.409 17.970 ( 1.769 -3.063 4.940) 6.076 18.192 ( -5.455 9.448 -8.393) 13.764 18.393 ( 3.338 -5.781 4.928) 8.297 19.577 ( 1.217 -2.109 -11.942) 12.188 19.917 ( 2.728 -4.724 -3.153) 6.301 21.384 ( -0.245 0.424 0.278) 0.564 21.466 ( 0.797 -1.380 0.051) 1.594 22.045 ( -0.527 0.913 2.568) 2.776 ======================= Grid point 413 (79/143) ======================= q-point: (-0.42 0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -2.876 -4.981 -12.862) 14.089 2.718 ( -1.271 -2.201 7.955) 8.352 3.381 ( 20.009 34.657 1.604) 40.050 4.400 ( 2.983 5.166 -0.025) 5.965 4.930 ( -1.631 -2.824 -2.701) 4.235 5.248 ( 2.537 4.394 5.680) 7.616 7.449 ( -4.505 -7.802 -0.530) 9.025 7.671 ( -4.571 -7.918 -2.532) 9.487 7.856 ( -0.049 -0.085 0.488) 0.498 8.440 ( -5.044 -8.737 -3.167) 10.574 8.447 ( -3.324 -5.758 -2.500) 7.103 9.863 ( 12.733 22.054 2.348) 25.574 9.973 ( 6.592 11.417 -0.431) 13.190 11.675 ( -15.190 -26.310 1.232) 30.405 12.922 ( 3.030 5.249 4.041) 7.285 13.931 ( -4.626 -8.013 -1.061) 9.313 14.952 ( 6.949 12.036 0.947) 13.930 16.528 ( 2.582 4.471 -0.974) 5.254 17.219 ( -5.636 -9.762 1.096) 11.326 17.973 ( -0.823 -1.425 8.376) 8.536 18.237 ( 6.178 10.700 -11.894) 17.150 18.273 ( -3.344 -5.792 7.928) 10.372 19.478 ( 2.166 3.752 -6.828) 8.086 20.017 ( -5.313 -9.203 -8.072) 13.345 21.374 ( 0.762 1.320 0.416) 1.580 21.435 ( 0.330 0.571 -0.257) 0.708 22.010 ( 2.021 3.501 2.642) 4.830 ======================= Grid point 415 (80/143) ======================= q-point: (-0.33 0.58 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -4.012 1.661 -5.992) 7.400 2.711 ( 2.161 -4.187 1.603) 4.977 4.040 ( 13.624 32.206 2.655) 35.070 4.469 ( -3.414 9.737 -0.085) 10.319 4.717 ( -17.124 -1.600 -1.165) 17.238 5.381 ( 11.481 -9.242 1.767) 14.845 7.315 ( -4.173 -2.351 -0.542) 4.820 7.414 ( -16.453 9.777 0.567) 19.147 7.887 ( 5.005 -7.369 1.682) 9.066 8.342 ( 4.160 -9.888 -5.975) 12.279 8.420 ( 4.805 -8.444 -3.913) 10.474 10.023 ( -10.088 22.539 1.105) 24.718 10.473 ( 30.415 5.908 0.612) 30.989 11.121 ( -18.199 -26.045 1.238) 31.797 12.990 ( 0.139 3.199 4.233) 5.308 13.822 ( -0.553 -4.796 -1.279) 4.994 15.130 ( 2.492 5.949 1.423) 6.605 16.594 ( -5.254 13.156 -0.767) 14.187 17.066 ( 0.083 -9.612 0.991) 9.663 17.957 ( -0.991 1.206 7.542) 7.701 18.185 ( 2.079 -8.639 7.954) 11.926 18.396 ( 0.477 8.195 -12.501) 14.955 19.566 ( 2.449 4.420 -7.825) 9.315 19.845 ( -2.731 -8.908 -5.636) 10.889 21.396 ( 0.064 1.231 0.454) 1.314 21.441 ( 0.592 -0.841 0.271) 1.063 22.056 ( 0.543 1.468 2.313) 2.793 ======================= Grid point 428 (81/143) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( -1.034 -1.791 -2.230) 3.042 2.650 ( 1.034 1.791 -2.230) 3.042 4.549 ( -7.612 -13.184 2.857) 15.489 4.549 ( 7.612 13.184 2.857) 15.489 4.582 ( -0.000 -0.000 -2.542) 2.542 5.258 ( 0.000 0.000 -0.472) 0.472 7.271 ( 0.000 0.000 -0.361) 0.361 7.645 ( -6.524 -11.300 1.663) 13.153 7.645 ( 6.524 11.300 1.663) 13.153 8.309 ( -1.652 -2.862 -5.760) 6.641 8.309 ( 1.652 2.862 -5.760) 6.641 10.362 ( 0.000 0.000 -1.376) 1.376 10.641 ( -9.212 -15.955 2.278) 18.563 10.641 ( 9.212 15.955 2.278) 18.563 13.022 ( 0.000 0.000 4.316) 4.316 13.774 ( 0.000 0.000 -1.460) 1.460 15.191 ( 0.000 0.000 1.659) 1.659 16.848 ( -6.141 -10.636 -0.154) 12.282 16.848 ( 6.141 10.636 -0.154) 12.282 18.030 ( -3.085 -5.343 8.403) 10.425 18.030 ( 3.085 5.343 8.403) 10.425 18.486 ( 0.000 0.000 -14.523) 14.523 19.682 ( -3.636 -6.297 -5.951) 9.396 19.682 ( 3.636 6.297 -5.951) 9.396 21.420 ( -0.605 -1.048 0.488) 1.304 21.420 ( 0.605 1.048 0.488) 1.304 22.071 ( 0.000 0.000 2.175) 2.175 ======================= Grid point 471 (82/143) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 -0.000 22.368) 22.368 1.761 ( 0.000 0.000 22.368) 22.368 2.959 ( 0.000 -0.000 34.668) 34.668 3.453 ( 0.000 0.000 -10.168) 10.168 3.453 ( -0.000 0.000 -10.168) 10.168 6.117 ( 0.000 0.000 1.003) 1.003 6.178 ( 0.000 0.000 -5.687) 5.687 7.155 ( 0.000 -0.000 -3.644) 3.644 7.155 ( 0.000 0.000 -3.644) 3.644 9.496 ( 0.000 -0.000 -4.361) 4.361 10.079 ( 0.000 -0.000 -3.306) 3.306 10.116 ( 0.000 -0.000 1.923) 1.923 10.116 ( 0.000 0.000 1.923) 1.923 11.811 ( 0.000 0.000 -0.083) 0.083 11.811 ( 0.000 0.000 -0.083) 0.083 14.437 ( -0.000 -0.000 -2.301) 2.301 14.437 ( 0.000 0.000 -2.301) 2.301 15.163 ( 0.000 0.000 3.609) 3.609 15.163 ( 0.000 0.000 3.609) 3.609 17.220 ( 0.000 0.000 3.528) 3.528 17.220 ( 0.000 0.000 3.528) 3.528 18.282 ( 0.000 0.000 1.213) 1.213 19.884 ( 0.000 -0.000 -0.682) 0.682 21.433 ( 0.000 0.000 0.450) 0.450 21.549 ( 0.000 -0.000 -2.024) 2.024 21.549 ( 0.000 0.000 -2.024) 2.024 22.508 ( 0.000 0.000 -0.877) 0.877 ======================= Grid point 472 (83/143) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -4.941 19.672 21.043) 29.227 2.249 ( 31.138 1.503 19.782) 36.921 2.957 ( 3.877 0.076 23.913) 24.226 3.331 ( 1.901 -8.802 -6.054) 10.851 3.684 ( 7.208 14.983 -10.009) 19.407 5.776 ( -24.949 -16.676 2.746) 30.134 6.109 ( -0.557 -0.937 0.617) 1.253 7.175 ( 1.595 1.944 -3.584) 4.378 7.247 ( 4.164 5.766 -4.454) 8.391 9.407 ( -5.025 -4.384 -1.710) 6.885 9.943 ( -6.245 -3.882 -3.504) 8.145 10.100 ( -0.383 -2.323 1.866) 3.005 10.676 ( 29.378 18.251 -5.469) 35.015 11.765 ( -3.555 1.824 -0.279) 4.006 11.864 ( 5.960 -0.362 -0.282) 5.978 14.407 ( -4.184 3.379 -1.932) 5.714 14.553 ( 10.131 2.160 -2.491) 10.654 15.151 ( 1.438 -3.921 3.128) 5.218 15.542 ( 30.295 20.737 -5.096) 37.064 17.227 ( 0.202 1.989 3.813) 4.306 17.260 ( 3.743 0.869 2.787) 4.747 18.278 ( -0.383 -0.404 1.155) 1.282 19.906 ( 1.776 1.124 -0.609) 2.188 21.400 ( -5.057 -2.585 0.120) 5.681 21.473 ( -6.437 -0.714 -1.864) 6.739 21.544 ( 0.260 -1.981 -2.156) 2.939 22.367 ( -10.043 -7.374 1.832) 12.593 ======================= Grid point 473 (84/143) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 3.075 21.466 10.455) 24.074 2.496 ( -2.222 3.892 25.581) 25.970 3.154 ( 11.669 -9.204 -9.736) 17.767 3.495 ( 28.232 -0.534 11.413) 30.456 3.972 ( 6.660 18.753 -9.525) 22.063 5.320 ( -9.548 -6.433 9.628) 15.008 6.070 ( -1.966 -3.245 -0.256) 3.802 7.255 ( 4.489 3.799 -3.181) 6.686 7.362 ( 2.581 5.510 -3.222) 6.885 9.265 ( -5.442 -5.721 -0.738) 7.931 9.746 ( -10.756 -6.890 -3.529) 13.252 10.059 ( -1.263 -3.337 1.554) 3.892 10.987 ( -6.191 -1.330 -3.436) 7.204 11.895 ( 7.992 17.503 -1.078) 19.272 12.004 ( 13.645 -4.953 -0.630) 14.530 14.366 ( -3.929 2.711 -1.840) 5.116 14.755 ( 7.479 1.846 0.166) 7.705 15.182 ( 6.934 1.308 0.681) 7.089 16.456 ( 43.711 26.697 -17.813) 54.228 17.271 ( 1.709 4.050 4.445) 6.251 17.362 ( 6.223 2.435 0.822) 6.733 18.256 ( -1.367 -1.363 1.109) 2.226 19.958 ( 2.371 1.712 -0.489) 2.965 21.083 ( -23.795 -8.118 -0.877) 25.157 21.408 ( -1.820 -1.321 -0.187) 2.257 21.522 ( -0.333 -2.338 -2.063) 3.136 22.128 ( -6.662 -8.458 4.350) 11.612 ======================= Grid point 474 (85/143) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 5.764 12.857 -2.573) 14.323 2.494 ( -3.695 10.505 18.691) 21.756 3.205 ( 6.103 -5.936 -2.134) 8.777 3.894 ( 12.629 2.506 5.150) 13.867 4.229 ( 8.766 2.900 -8.428) 12.501 5.480 ( 23.337 15.656 11.029) 30.189 5.964 ( -5.028 -6.605 -0.740) 8.334 7.403 ( 7.231 6.054 -2.552) 9.770 7.448 ( 2.732 3.244 -1.923) 4.656 9.127 ( -4.285 -4.620 0.043) 6.302 9.449 ( -14.235 -9.538 -3.353) 17.460 9.986 ( -2.422 -5.527 0.905) 6.102 10.647 ( -23.206 -8.766 -2.248) 24.908 12.158 ( 1.302 18.839 0.808) 18.901 12.257 ( 19.485 -5.496 0.420) 20.249 14.332 ( -2.621 1.877 -1.466) 3.541 14.767 ( -2.807 -4.241 1.937) 5.443 15.468 ( 17.701 9.816 -1.036) 20.267 17.334 ( 22.524 14.342 -14.439) 30.357 17.368 ( 4.269 5.218 4.964) 8.372 17.584 ( 21.376 12.353 -5.451) 25.283 18.203 ( -2.511 -2.329 1.424) 3.709 20.004 ( 0.571 0.928 -0.243) 1.117 20.514 ( -29.460 -10.472 -0.755) 31.275 21.366 ( -1.133 -2.062 -0.136) 2.357 21.485 ( -1.074 -2.742 -1.800) 3.451 21.984 ( -1.931 -7.033 3.657) 8.159 ======================= Grid point 475 (86/143) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( 2.122 7.595 -12.141) 14.477 2.579 ( 0.935 10.679 12.482) 16.453 3.250 ( 2.076 -1.001 3.298) 4.023 4.050 ( 5.069 3.909 5.308) 8.316 4.376 ( 9.430 -0.692 -6.328) 11.377 5.743 ( -9.573 -9.554 0.167) 13.526 6.248 ( 37.861 20.647 5.287) 43.447 7.526 ( 3.646 1.513 -1.208) 4.128 7.617 ( 9.600 7.664 -1.810) 12.417 9.014 ( -11.084 -0.411 0.377) 11.098 9.122 ( -5.766 -11.668 -2.588) 13.270 9.862 ( -1.994 -12.796 0.301) 12.954 10.098 ( -31.580 -5.183 -2.027) 32.066 12.354 ( 3.156 12.891 1.382) 13.344 12.487 ( 11.477 -1.485 2.204) 11.781 14.312 ( -1.309 0.863 -0.948) 1.832 14.643 ( -5.473 -4.537 1.215) 7.212 15.892 ( 18.625 10.654 -0.905) 21.476 17.495 ( 5.017 2.565 4.332) 7.107 17.565 ( 4.149 6.835 -8.108) 11.387 18.124 ( 1.699 0.569 3.037) 3.526 18.245 ( 22.279 13.511 -5.682) 26.668 19.816 ( -23.352 -10.122 1.238) 25.481 20.107 ( -4.874 0.284 -5.799) 7.580 21.333 ( -0.224 -2.082 -0.179) 2.102 21.433 ( -1.621 -3.079 -1.457) 3.772 21.906 ( 0.256 -6.308 2.616) 6.834 ======================= Grid point 476 (87/143) ======================= q-point: ( 0.42 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -3.134 4.393 -13.844) 14.858 2.732 ( 4.451 9.435 4.488) 11.356 3.228 ( -4.667 1.410 7.849) 9.240 4.181 ( 6.129 1.379 2.539) 6.776 4.568 ( 12.038 2.699 -4.578) 13.159 5.445 ( -11.956 -11.411 2.927) 16.785 7.075 ( 34.946 16.543 -0.349) 38.665 7.594 ( 3.146 0.062 -0.950) 3.287 7.843 ( 6.453 4.860 -1.698) 8.255 8.727 ( -11.612 -2.731 -1.532) 12.027 9.086 ( 3.367 -2.369 1.184) 4.284 9.446 ( -24.674 -19.057 -0.202) 31.177 9.742 ( -9.750 2.292 -1.013) 10.067 12.505 ( 1.460 8.955 2.126) 9.319 12.623 ( 5.752 -0.756 2.649) 6.377 14.302 ( -0.169 -0.403 -0.510) 0.672 14.520 ( -4.424 -2.192 0.349) 4.949 16.264 ( 13.097 7.340 -1.026) 15.048 17.549 ( 1.637 -3.555 1.914) 4.356 17.670 ( -0.123 6.840 -9.670) 11.845 18.189 ( 6.097 5.996 7.851) 11.609 18.630 ( 6.084 5.852 5.932) 10.317 19.354 ( -14.948 -7.322 -5.959) 17.680 20.078 ( -1.805 1.295 -7.954) 8.259 21.319 ( 0.753 -1.595 -0.158) 1.771 21.376 ( -1.241 -3.020 -1.155) 3.464 21.864 ( 1.733 -5.839 1.982) 6.406 ======================= Grid point 477 (88/143) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -2.753 4.768 -13.481) 14.562 2.840 ( -1.809 3.133 -2.211) 4.239 3.173 ( -3.399 5.887 13.116) 14.773 4.244 ( 1.206 -2.089 0.225) 2.422 4.745 ( 2.188 -3.790 -6.869) 8.144 5.227 ( 1.762 -3.052 7.555) 8.336 7.597 ( 3.052 -5.286 -0.045) 6.104 7.643 ( 1.939 -3.359 -5.276) 6.549 7.798 ( -2.222 3.848 -2.270) 4.990 8.712 ( 1.128 -1.954 0.784) 2.388 9.002 ( -4.394 7.611 0.552) 8.806 9.114 ( 2.260 -3.915 1.848) 4.883 9.663 ( -1.120 1.939 -1.179) 2.531 12.564 ( -2.927 5.069 2.484) 6.359 12.668 ( 1.018 -1.764 2.678) 3.365 14.299 ( 0.656 -1.136 -0.334) 1.354 14.469 ( -0.655 1.134 -0.033) 1.310 16.424 ( 0.111 -0.192 -1.214) 1.235 17.529 ( 1.875 -3.247 1.119) 3.913 17.701 ( -2.148 3.720 -10.240) 11.105 18.356 ( -3.120 5.404 11.579) 13.153 18.601 ( -0.892 1.545 9.411) 9.579 19.224 ( 0.657 -1.139 -8.682) 8.781 20.066 ( -1.059 1.835 -9.913) 10.136 21.323 ( 0.661 -1.146 0.128) 1.329 21.344 ( 1.243 -2.152 -1.288) 2.799 21.850 ( 3.026 -5.241 1.776) 6.308 ======================= Grid point 485 (89/143) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 8.884 15.387 18.203) 25.437 2.371 ( 8.850 15.328 5.186) 18.443 3.029 ( 5.438 9.419 19.006) 21.898 3.201 ( -1.243 -2.153 0.138) 2.490 4.017 ( 9.256 16.033 -10.769) 21.417 5.386 ( -9.212 -15.955 8.204) 20.167 6.068 ( -1.886 -3.266 0.317) 3.784 7.229 ( 2.428 4.205 -3.722) 6.119 7.385 ( 3.311 5.734 -4.149) 7.814 9.285 ( -4.047 -7.009 -0.383) 8.102 9.808 ( -5.556 -9.624 -3.445) 11.634 10.025 ( -3.008 -5.210 2.037) 6.351 11.099 ( 9.555 16.549 -5.203) 19.805 11.669 ( -4.040 -6.998 -0.743) 8.115 12.036 ( 8.617 14.925 -0.304) 17.236 14.400 ( -2.037 -3.527 -2.522) 4.790 14.749 ( 9.032 15.643 -2.416) 18.224 15.083 ( -1.329 -2.303 3.476) 4.377 16.210 ( 25.284 43.793 -15.475) 52.883 17.273 ( 1.293 2.239 3.785) 4.583 17.325 ( 3.531 6.117 1.640) 7.251 18.260 ( -0.896 -1.551 1.214) 2.164 19.945 ( 1.522 2.636 -0.583) 3.099 21.251 ( -8.406 -14.560 -2.638) 17.018 21.438 ( -1.669 -2.891 -0.853) 3.446 21.494 ( -1.205 -2.086 -1.349) 2.761 22.145 ( -7.138 -12.363 5.636) 15.348 ======================= Grid point 486 (90/143) ======================= q-point: ( 0.17 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( -2.667 17.707 5.370) 18.695 2.645 ( 3.745 11.456 4.892) 13.007 3.127 ( -2.367 8.067 3.607) 9.148 3.494 ( 29.116 0.597 9.006) 30.483 4.217 ( 1.056 4.506 -8.507) 9.684 5.346 ( 9.700 11.715 10.317) 18.379 5.975 ( -3.826 -6.332 -0.005) 7.398 7.352 ( 5.756 6.647 -3.411) 9.431 7.451 ( 0.457 2.088 -2.574) 3.346 9.153 ( -4.062 -4.964 0.435) 6.429 9.572 ( -10.535 -10.153 -3.072) 14.951 9.893 ( -2.144 -13.235 1.470) 13.488 11.091 ( -23.560 10.365 -2.755) 25.886 11.720 ( 22.178 -16.118 -1.140) 27.440 12.347 ( 6.101 19.857 1.068) 20.800 14.317 ( -1.382 -6.406 -1.698) 6.770 14.925 ( -8.709 11.626 1.431) 14.597 15.222 ( 19.584 5.116 -0.819) 20.258 17.109 ( 28.621 36.052 -19.141) 49.852 17.333 ( 3.746 2.298 3.815) 5.820 17.488 ( 6.734 10.569 -0.766) 12.555 18.214 ( -1.916 -2.906 1.492) 3.787 19.997 ( 1.491 1.946 -0.661) 2.539 20.815 ( -21.240 -19.258 -3.340) 28.865 21.376 ( -2.380 -1.939 0.339) 3.088 21.460 ( 0.063 -3.575 -1.123) 3.748 21.951 ( -3.505 -8.233 6.387) 10.993 ======================= Grid point 487 (91/143) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -0.757 17.733 -6.606) 18.938 2.774 ( -4.430 17.547 5.704) 18.975 3.197 ( 2.182 5.310 4.378) 7.220 3.921 ( 17.568 0.924 6.854) 18.880 4.232 ( 3.261 -1.274 -6.587) 7.459 5.800 ( -6.193 -6.925 0.707) 9.317 5.877 ( 27.018 19.807 6.948) 34.213 7.464 ( 1.831 -2.377 -1.206) 3.234 7.550 ( 8.114 8.799 -2.839) 12.301 9.062 ( -2.291 -3.076 0.660) 3.892 9.261 ( -14.952 -7.375 -2.226) 16.820 9.685 ( -1.921 -21.825 0.333) 21.912 10.699 ( -31.536 10.195 -2.228) 33.217 11.957 ( 22.905 -16.357 -0.439) 28.149 12.610 ( 2.380 18.711 2.445) 19.019 14.232 ( 0.743 -9.733 -0.932) 9.805 14.848 ( -10.654 9.209 1.289) 14.141 15.661 ( 20.515 10.780 -1.121) 23.202 17.396 ( 4.047 -0.036 2.494) 4.754 17.628 ( 5.118 14.750 -6.206) 16.801 17.978 ( 24.235 23.519 -8.951) 34.937 18.148 ( -0.992 -2.671 2.028) 3.497 19.998 ( -5.286 -2.454 0.113) 5.829 20.249 ( -19.357 -15.393 -5.714) 25.383 21.324 ( -1.289 -2.017 0.519) 2.450 21.420 ( -0.624 -3.588 -0.856) 3.742 21.845 ( -0.925 -6.692 5.373) 8.632 ======================= Grid point 488 (92/143) ======================= q-point: ( 0.33 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -5.475 18.896 -14.614) 24.507 2.864 ( -5.385 19.130 5.799) 20.702 3.268 ( 0.963 2.161 4.570) 5.146 4.109 ( 5.314 2.998 6.100) 8.628 4.384 ( 12.585 1.611 -4.689) 13.526 5.542 ( -11.640 -10.262 2.332) 15.692 6.623 ( 35.062 16.144 2.599) 38.687 7.478 ( 4.977 -6.412 -0.316) 8.123 7.785 ( 8.215 9.008 -2.242) 12.396 8.856 ( -12.872 -13.560 -3.405) 19.004 9.058 ( -4.100 -4.409 2.221) 6.417 9.445 ( -2.771 -11.739 -0.336) 12.066 10.264 ( -31.467 12.121 -1.561) 33.757 12.157 ( 19.111 -16.625 0.401) 25.333 12.796 ( -1.044 16.630 2.817) 16.899 14.154 ( 2.909 -12.241 -0.512) 12.593 14.764 ( -10.934 11.819 0.571) 16.110 16.093 ( 16.960 10.097 -0.971) 19.762 17.433 ( 2.823 -5.211 0.935) 6.000 17.810 ( -1.026 12.686 -6.878) 14.466 18.139 ( 4.891 3.015 4.938) 7.576 18.533 ( 14.996 13.708 -0.134) 20.318 19.588 ( -21.949 -12.181 -4.234) 25.457 20.084 ( -0.002 -3.091 -7.329) 7.954 21.295 ( 0.014 -1.590 0.469) 1.658 21.370 ( -1.278 -3.060 -0.527) 3.357 21.780 ( 0.768 -6.319 4.697) 7.910 ======================= Grid point 489 (93/143) ======================= q-point: ( 0.42 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -11.941 21.342 -15.201) 28.795 2.960 ( -4.285 14.613 -0.064) 15.228 3.272 ( -2.245 2.314 8.492) 9.084 4.207 ( 2.644 1.559 1.766) 3.541 4.623 ( 10.533 2.634 -3.961) 11.558 5.247 ( -9.511 -7.841 6.786) 14.071 7.296 ( 26.789 4.594 -0.896) 27.195 7.504 ( 6.903 -8.146 -0.752) 10.704 7.918 ( -3.373 2.663 -1.920) 4.707 8.567 ( 0.029 -13.607 -1.332) 13.672 8.842 ( -2.778 -19.338 -0.487) 19.543 9.463 ( -4.869 21.849 1.319) 22.424 9.901 ( -21.674 9.801 -0.944) 23.806 12.270 ( 14.077 -18.361 0.963) 23.157 12.897 ( -5.033 14.119 2.820) 15.252 14.100 ( 5.483 -12.627 -0.460) 13.774 14.715 ( -9.816 14.394 0.222) 17.424 16.390 ( 7.048 5.641 -1.061) 9.089 17.398 ( 2.636 -9.063 -0.167) 9.440 17.848 ( -4.613 8.416 -5.329) 10.978 18.372 ( 10.652 12.052 5.103) 16.875 18.679 ( -6.593 -1.588 9.243) 11.464 19.248 ( -6.329 -2.491 -9.320) 11.538 20.061 ( 0.979 -3.253 -10.180) 10.732 21.294 ( 1.259 -0.817 0.310) 1.532 21.322 ( -1.006 -2.305 -0.160) 2.520 21.747 ( 2.403 -5.872 4.405) 7.724 ======================= Grid point 498 (94/143) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 6.756 11.701 1.967) 13.654 2.868 ( 5.779 10.010 -8.392) 14.284 3.436 ( 8.031 13.910 11.353) 19.669 3.545 ( 6.064 10.503 4.563) 12.958 4.214 ( -1.107 -1.918 -4.910) 5.387 5.738 ( 14.671 25.411 7.666) 30.327 5.825 ( -5.128 -8.882 0.486) 10.268 7.436 ( -1.804 -3.125 -1.310) 3.839 7.521 ( 5.963 10.329 -3.282) 12.370 9.070 ( -2.568 -4.448 0.568) 5.168 9.386 ( -4.211 -7.293 -1.979) 8.651 9.559 ( -11.563 -20.028 0.612) 23.134 11.295 ( -0.765 -1.326 -3.284) 3.623 11.402 ( -2.976 -5.154 -0.019) 5.951 12.685 ( 8.363 14.484 2.445) 16.903 14.172 ( -4.439 -7.689 -0.759) 8.910 15.036 ( 0.352 0.609 1.325) 1.500 15.490 ( 11.679 20.229 -1.494) 23.406 17.365 ( 0.862 1.493 3.573) 3.967 17.657 ( 8.891 15.400 -7.690) 19.374 17.881 ( 17.791 30.815 -10.059) 36.977 18.145 ( -2.216 -3.839 2.341) 5.013 20.022 ( 0.105 0.182 -1.189) 1.207 20.354 ( -15.123 -26.194 -5.774) 30.792 21.331 ( -1.440 -2.494 1.063) 3.070 21.399 ( -1.414 -2.450 -0.291) 2.843 21.818 ( -3.200 -5.543 6.486) 9.112 ======================= Grid point 499 (95/143) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 1.605 15.599 -8.416) 17.797 3.057 ( 6.367 8.216 -2.287) 10.643 3.484 ( -15.128 23.796 6.094) 28.849 3.951 ( 21.453 2.981 7.072) 22.784 4.220 ( 4.480 0.512 -4.664) 6.488 5.621 ( -8.325 -9.517 1.716) 12.760 6.282 ( 22.697 19.066 4.522) 29.985 7.359 ( -0.242 -7.533 -0.106) 7.537 7.745 ( 7.591 10.805 -2.831) 13.505 8.914 ( -8.117 -10.737 -2.234) 13.644 9.083 ( -14.257 -23.586 0.187) 27.561 9.404 ( 4.344 6.065 0.682) 7.491 10.937 ( -32.279 12.452 -1.773) 34.643 11.597 ( 24.567 -20.064 -0.713) 31.727 12.922 ( 3.675 13.083 2.883) 13.892 14.030 ( -1.773 -9.945 -0.492) 10.114 15.024 ( -5.716 7.667 0.790) 9.596 15.916 ( 16.267 15.130 -1.121) 22.244 17.370 ( -0.001 -2.944 2.279) 3.723 17.922 ( 4.323 14.655 -7.167) 16.877 18.090 ( 1.327 -1.374 3.849) 4.297 18.434 ( 15.130 20.224 -3.122) 25.449 19.814 ( -19.571 -16.382 -7.624) 26.637 20.022 ( 1.049 -6.529 -4.469) 7.981 21.289 ( -0.917 -1.474 1.283) 2.159 21.358 ( -0.762 -2.521 0.148) 2.638 21.725 ( -1.427 -5.488 6.291) 8.469 ======================= Grid point 500 (96/143) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -2.667 12.778 -13.946) 19.102 3.229 ( 4.406 5.805 -0.241) 7.292 3.447 ( -17.117 25.928 5.487) 31.549 4.188 ( 3.570 4.954 3.809) 7.197 4.440 ( 15.410 3.996 -1.955) 16.039 5.360 ( -11.472 -7.840 4.331) 14.555 6.865 ( 28.308 8.819 1.306) 29.679 7.299 ( 4.247 -10.623 0.626) 11.457 7.954 ( 3.857 7.051 -1.721) 8.219 8.507 ( -13.399 -24.233 -2.309) 27.787 8.741 ( -4.946 -14.788 -2.065) 15.729 9.650 ( 6.574 22.518 1.385) 23.499 10.496 ( -32.473 10.759 -1.063) 34.226 11.777 ( 20.172 -21.859 -0.190) 29.745 13.069 ( -0.477 11.138 2.863) 11.510 13.925 ( 1.416 -10.323 -0.600) 10.437 15.004 ( -7.580 11.518 0.645) 13.804 16.302 ( 12.391 11.438 -0.906) 16.887 17.296 ( -1.300 -8.919 0.638) 9.036 17.995 ( -3.671 6.635 -0.100) 7.584 18.282 ( 11.653 10.016 -0.850) 15.390 18.735 ( 2.499 5.982 5.762) 8.673 19.390 ( -13.837 -6.058 -12.132) 19.374 19.977 ( 1.871 -7.820 -7.544) 11.026 21.275 ( 0.313 -0.471 1.139) 1.272 21.321 ( -1.050 -1.843 0.451) 2.169 21.663 ( 0.564 -5.474 6.367) 8.415 ======================= Grid point 501 (97/143) ======================= q-point: ( 0.42 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -5.743 9.948 -16.481) 20.089 3.293 ( 0.311 -0.539 4.096) 4.143 3.430 ( -18.293 31.685 2.497) 36.671 4.243 ( -1.112 1.926 1.185) 2.520 4.641 ( 1.191 -2.063 -1.710) 2.932 5.174 ( -0.655 1.135 7.546) 7.659 7.212 ( 6.259 -10.841 0.714) 12.539 7.337 ( 5.789 -10.027 -0.959) 11.618 7.905 ( 2.854 -4.943 1.029) 5.799 8.300 ( 4.661 -8.073 -3.305) 9.891 8.599 ( 3.724 -6.451 -3.004) 8.032 9.987 ( -13.853 23.994 1.434) 27.743 10.104 ( -8.696 15.062 -0.842) 17.412 11.843 ( 14.360 -24.872 0.036) 28.719 13.120 ( -4.963 8.595 2.823) 10.319 13.884 ( 5.105 -8.842 -0.705) 10.235 14.996 ( -7.564 13.101 0.633) 15.142 16.487 ( -2.374 4.111 -0.842) 4.821 17.218 ( 5.021 -8.697 0.058) 10.042 17.997 ( -4.079 7.064 0.737) 8.190 18.547 ( 2.660 -4.607 9.316) 10.728 18.647 ( -4.787 8.291 -5.033) 10.816 19.269 ( -2.500 4.330 -8.519) 9.878 19.950 ( 4.475 -7.752 -10.097) 13.493 21.288 ( 0.242 -0.420 0.682) 0.837 21.289 ( 0.291 -0.504 0.928) 1.096 21.640 ( 2.739 -4.744 6.440) 8.455 ======================= Grid point 508 (98/143) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -5.856 10.142 17.070) 20.701 2.462 ( 2.285 -3.958 29.181) 29.536 3.347 ( -14.266 24.709 -13.894) 31.735 3.509 ( -9.918 17.179 9.035) 21.797 3.670 ( -1.204 2.086 -4.929) 5.486 5.421 ( 9.925 -17.190 8.230) 21.487 6.101 ( 0.607 -1.051 -0.399) 1.277 7.202 ( -1.851 3.205 -3.181) 4.880 7.305 ( -2.493 4.318 -2.929) 5.783 9.332 ( 2.962 -5.130 -1.468) 6.103 9.820 ( 5.199 -9.006 -3.680) 11.031 10.070 ( 2.213 -3.833 1.171) 4.578 11.067 ( -8.524 14.763 -4.958) 17.754 11.612 ( 4.777 -8.274 0.345) 9.560 12.093 ( -9.285 16.082 -1.398) 18.622 14.308 ( 2.465 -4.269 -0.265) 4.937 14.776 ( -8.293 14.363 -2.117) 16.720 15.159 ( 0.945 -1.636 1.524) 2.427 16.176 ( -25.471 44.117 -15.209) 53.164 17.224 ( -0.353 0.611 4.695) 4.748 17.344 ( -3.325 5.760 1.296) 6.776 18.269 ( 0.557 -0.965 0.990) 1.490 19.940 ( -1.309 2.267 -0.456) 2.657 21.158 ( 11.853 -20.530 0.152) 23.707 21.423 ( 0.665 -1.151 -0.229) 1.349 21.545 ( 0.448 -0.777 -2.287) 2.457 22.222 ( 4.553 -7.886 2.737) 9.508 ======================= Grid point 512 (99/143) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 4.601 7.970 -13.793) 16.581 3.163 ( 2.661 4.608 0.127) 5.323 3.886 ( 6.313 10.935 10.713) 16.559 4.142 ( 10.748 18.617 -0.071) 21.497 4.253 ( 1.799 3.116 -3.083) 4.738 5.431 ( -5.646 -9.779 2.884) 11.654 6.639 ( 10.539 18.254 2.770) 21.259 7.203 ( -4.213 -7.297 0.927) 8.476 7.952 ( 5.082 8.803 -1.837) 10.329 8.506 ( -17.046 -29.525 -1.718) 34.136 8.713 ( -5.962 -10.327 -3.206) 12.348 9.704 ( 11.931 20.665 1.599) 23.916 11.107 ( -4.601 -7.969 -2.936) 9.659 11.219 ( -3.514 -6.087 1.004) 7.100 13.129 ( 4.601 7.969 2.908) 9.651 13.860 ( -4.044 -7.005 -0.633) 8.114 15.139 ( 2.354 4.076 0.846) 4.783 16.241 ( 9.921 17.184 -0.892) 19.863 17.264 ( -4.588 -7.947 1.075) 9.240 18.078 ( 1.215 2.104 6.072) 6.540 18.212 ( 7.091 12.281 -6.990) 15.811 18.738 ( 5.503 9.532 4.164) 11.767 19.507 ( -6.990 -12.107 -16.648) 21.739 19.899 ( -3.767 -6.525 -3.385) 8.260 21.271 ( -0.189 -0.327 1.542) 1.587 21.320 ( -0.823 -1.425 0.765) 1.815 21.629 ( -2.374 -4.111 7.033) 8.485 ======================= Grid point 513 (100/143) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.117 ( -2.741 6.494 -12.565) 14.407 3.246 ( 3.554 -1.121 -1.877) 4.172 4.016 ( -11.101 26.505 6.011) 29.358 4.280 ( -0.609 3.611 -0.106) 3.664 4.513 ( 13.008 1.530 1.335) 13.165 5.254 ( -6.357 -2.433 3.160) 7.505 6.993 ( 11.744 2.707 1.162) 12.108 7.132 ( 6.836 -1.949 1.551) 7.276 7.809 ( -11.291 -25.065 1.867) 27.554 8.245 ( 2.732 4.144 -4.980) 7.032 8.533 ( -3.464 -8.321 -3.825) 9.792 10.163 ( 12.757 28.122 0.586) 30.886 10.668 ( -32.953 6.363 -0.610) 33.568 11.303 ( 18.868 -26.026 -0.178) 32.147 13.235 ( -0.119 5.699 2.858) 6.376 13.764 ( 0.358 -5.746 -0.830) 5.817 15.190 ( -2.519 6.868 0.973) 7.380 16.546 ( 5.741 13.311 -0.582) 14.508 17.084 ( -2.496 -12.467 0.235) 12.717 18.127 ( -1.914 7.461 5.837) 9.664 18.401 ( 7.056 -0.592 4.093) 8.179 18.797 ( -3.203 2.771 -8.236) 9.262 19.391 ( -4.124 5.464 -10.843) 12.824 19.785 ( 1.889 -11.191 -6.582) 13.120 21.276 ( 0.592 0.498 1.337) 1.545 21.296 ( -0.851 -0.746 1.060) 1.551 21.571 ( 0.203 -3.642 7.696) 8.517 ======================= Grid point 519 (101/143) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( -14.076 16.048 7.622) 22.666 2.358 ( -0.059 -6.629 20.723) 21.757 3.420 ( 10.044 11.318 -6.511) 16.473 3.769 ( -10.530 -4.273 -0.357) 11.370 4.133 ( -17.436 22.147 -3.923) 28.459 5.303 ( -7.822 7.229 13.020) 16.821 6.053 ( 3.742 -1.907 -1.581) 4.487 7.310 ( -6.107 4.571 -2.517) 8.033 7.388 ( -3.295 2.063 -1.898) 4.326 9.216 ( 5.577 -3.419 -1.087) 6.631 9.596 ( 10.370 -8.587 -3.468) 13.903 9.960 ( 2.211 -10.834 0.144) 11.058 11.018 ( 24.033 7.077 -1.515) 25.099 11.639 ( -21.559 -17.292 0.338) 27.639 12.408 ( -5.679 18.889 -0.001) 19.724 14.240 ( -0.654 -6.762 0.113) 6.795 14.971 ( 8.295 13.070 0.219) 15.481 15.245 ( -17.017 3.376 -0.747) 17.365 17.084 ( -29.227 35.309 -18.834) 49.555 17.260 ( -4.348 -0.031 5.202) 6.780 17.491 ( -6.264 9.163 -0.848) 11.132 18.234 ( 1.986 -1.848 0.971) 2.881 19.984 ( -1.483 1.167 -0.351) 1.920 20.649 ( 19.000 -26.170 1.765) 32.388 21.398 ( 1.384 -0.434 -0.262) 1.474 21.521 ( 1.428 -0.781 -2.212) 2.746 22.093 ( 4.853 -1.811 1.897) 5.516 ======================= Grid point 525 (102/143) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -1.480 -2.563 -7.459) 8.025 3.206 ( 1.480 2.563 -7.459) 8.025 4.311 ( 0.000 0.000 -0.946) 0.946 4.413 ( -6.251 -10.827 5.716) 13.747 4.413 ( 6.251 10.827 5.716) 13.747 5.244 ( -0.000 -0.000 -0.402) 0.402 6.967 ( -0.000 -0.000 1.377) 1.377 7.338 ( -9.587 -16.605 1.800) 19.258 7.338 ( 9.587 16.605 1.800) 19.258 8.380 ( -3.768 -6.526 -4.368) 8.710 8.380 ( 3.768 6.526 -4.368) 8.710 10.625 ( 0.000 0.000 -2.802) 2.802 10.798 ( -9.207 -15.946 1.150) 18.449 10.798 ( 9.207 15.946 1.150) 18.449 13.291 ( -0.000 -0.000 2.862) 2.862 13.706 ( -0.000 -0.000 -0.925) 0.925 15.260 ( -0.000 -0.000 1.120) 1.120 16.819 ( -7.010 -12.142 -0.156) 14.021 16.819 ( 7.010 12.142 -0.156) 14.021 18.288 ( -4.191 -7.259 8.189) 11.719 18.288 ( 4.191 7.259 8.189) 11.719 18.841 ( -0.000 -0.000 -19.845) 19.845 19.560 ( -5.420 -9.387 -6.321) 12.548 19.560 ( 5.420 9.387 -6.321) 12.548 21.286 ( -0.206 -0.356 1.216) 1.284 21.286 ( 0.206 0.356 1.216) 1.284 21.532 ( -0.000 -0.000 8.388) 8.388 ======================= Grid point 532 (103/143) ======================= q-point: (-0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -3.752 8.212 -1.567) 9.163 2.436 ( -8.995 8.109 12.365) 17.308 3.351 ( 8.052 6.455 1.074) 10.375 3.916 ( -11.125 -1.783 2.696) 11.585 4.400 ( -2.555 7.066 -6.923) 10.217 5.829 ( -20.330 17.354 6.757) 27.570 5.947 ( -2.539 3.807 0.504) 4.604 7.454 ( -4.477 -0.178 -1.697) 4.791 7.499 ( -8.715 6.073 -1.586) 10.740 9.061 ( 8.019 -7.258 -0.429) 10.824 9.338 ( 11.890 -1.440 -2.918) 12.327 9.772 ( 2.056 -20.483 -1.359) 20.631 10.587 ( 31.942 7.188 -0.141) 32.741 11.863 ( -23.588 -18.019 1.408) 29.716 12.640 ( -1.570 15.938 2.017) 16.142 14.192 ( -2.654 -9.091 -0.013) 9.471 14.879 ( 12.028 8.609 0.563) 14.802 15.664 ( -20.448 10.710 -0.971) 23.103 17.332 ( -6.800 -2.175 4.065) 8.216 17.582 ( -4.403 11.569 -5.593) 13.583 17.963 ( -24.444 22.719 -8.888) 34.535 18.172 ( 2.081 -2.039 1.392) 3.229 19.961 ( 9.920 -8.783 1.873) 13.381 20.097 ( 9.563 -16.718 -2.142) 19.378 21.371 ( 1.619 0.265 -0.429) 1.696 21.482 ( 2.340 -0.608 -1.968) 3.117 22.015 ( 4.251 1.221 0.646) 4.469 ======================= Grid point 533 (104/143) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -0.314 0.543 11.296) 11.313 2.411 ( -13.281 23.004 4.560) 26.951 3.611 ( -2.729 4.726 -2.656) 6.070 3.660 ( 0.056 -0.097 3.242) 3.244 4.414 ( -3.629 6.286 -6.966) 10.061 5.695 ( -17.645 30.563 10.975) 36.958 5.984 ( 3.113 -5.392 -2.542) 6.725 7.415 ( -0.347 0.601 -1.621) 1.763 7.447 ( -5.239 9.074 -1.741) 10.621 9.100 ( 5.412 -9.374 -0.842) 10.857 9.459 ( 2.360 -4.087 -2.889) 5.534 9.662 ( 10.763 -18.642 -1.534) 21.581 11.157 ( 2.489 -4.311 -0.679) 5.024 11.310 ( 3.153 -5.462 1.797) 6.558 12.708 ( -6.792 11.765 2.192) 13.761 14.118 ( 3.254 -5.636 0.422) 6.522 15.080 ( 0.721 -1.248 0.329) 1.479 15.489 ( -11.754 20.359 -1.121) 23.535 17.263 ( -0.577 0.999 5.753) 5.867 17.603 ( -7.420 12.851 -6.773) 16.312 17.860 ( -17.347 30.046 -9.945) 36.091 18.181 ( 1.978 -3.425 1.281) 4.158 19.993 ( 0.283 -0.490 -0.555) 0.792 20.103 ( 16.207 -28.072 1.728) 32.461 21.387 ( 0.403 -0.698 -0.435) 0.916 21.498 ( 0.806 -1.396 -2.121) 2.664 22.059 ( 0.924 -1.601 -0.179) 1.857 ======================= Grid point 545 (105/143) ======================= q-point: (-0.33 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -1.813 4.848 -9.485) 10.805 2.650 ( -3.201 13.805 9.074) 16.828 3.258 ( 7.200 0.002 5.485) 9.051 4.125 ( -9.633 5.921 3.202) 11.752 4.518 ( -6.168 6.050 -5.613) 10.302 5.667 ( 14.546 -4.329 -0.195) 15.178 6.697 ( -35.752 21.846 1.815) 41.938 7.520 ( -5.218 -2.960 -1.655) 6.223 7.733 ( -10.347 6.871 -0.946) 12.456 8.774 ( 11.858 -13.158 -1.255) 17.758 9.180 ( 8.005 -4.379 -0.947) 9.174 9.510 ( 4.569 -15.008 -1.767) 15.787 10.134 ( 30.113 10.886 0.978) 32.035 12.065 ( -20.803 -18.742 2.210) 28.088 12.784 ( 1.169 12.975 3.166) 13.407 14.148 ( -4.003 -11.306 -0.354) 11.999 14.767 ( 11.786 10.895 0.467) 16.057 16.098 ( -16.986 10.541 -0.974) 20.014 17.415 ( -6.881 -6.418 1.528) 9.533 17.729 ( 0.033 11.210 -5.855) 12.647 18.123 ( -1.352 -0.468 5.184) 5.378 18.492 ( -14.113 10.305 1.107) 17.510 19.497 ( 16.058 -14.900 -3.020) 22.113 20.026 ( -1.215 -4.855 -4.683) 6.855 21.352 ( 1.235 0.933 -0.487) 1.623 21.432 ( 2.870 -0.013 -1.704) 3.338 21.968 ( 3.608 2.778 -0.246) 4.560 ======================= Grid point 546 (106/143) ======================= q-point: (-0.25 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -4.293 3.777 2.929) 6.424 2.769 ( -4.658 15.104 3.987) 16.301 3.532 ( 14.361 15.781 2.973) 21.543 3.920 ( -20.204 2.752 2.911) 20.597 4.486 ( -2.284 2.423 -6.251) 7.082 5.826 ( 8.999 -5.788 -2.127) 10.909 6.377 ( -26.727 26.315 3.825) 37.702 7.419 ( -1.876 -3.046 -1.951) 4.075 7.653 ( -7.868 9.109 -0.891) 12.070 8.847 ( 10.435 -12.863 -0.913) 16.588 9.217 ( 13.598 -23.876 -2.785) 27.618 9.486 ( -2.289 4.751 -1.152) 5.398 10.783 ( 32.141 10.585 1.079) 33.856 11.473 ( -24.446 -21.023 1.916) 32.299 12.887 ( -2.333 9.521 3.753) 10.497 14.016 ( 0.583 -8.306 -0.182) 8.329 15.031 ( 6.698 6.199 0.585) 9.145 15.923 ( -16.598 15.796 -1.108) 22.940 17.286 ( -2.485 -2.632 4.473) 5.754 17.810 ( -4.032 11.483 -5.772) 13.470 18.113 ( 1.523 -2.687 2.946) 4.268 18.386 ( -13.527 17.310 -1.848) 22.046 19.590 ( 14.372 -19.588 -2.519) 24.426 19.965 ( 0.309 -4.537 -1.774) 4.881 21.374 ( 0.648 0.136 -0.620) 0.907 21.467 ( 1.549 -0.816 -1.876) 2.566 22.032 ( 1.694 0.537 -1.591) 2.385 ======================= Grid point 558 (107/143) ======================= q-point: (-0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 3.771 6.450 -13.530) 15.456 2.850 ( -2.874 14.874 6.514) 16.490 3.106 ( 6.350 -5.868 9.746) 13.029 4.282 ( -1.331 5.266 -0.262) 5.438 4.748 ( -9.022 8.720 -5.194) 13.580 5.366 ( 13.376 -3.242 3.479) 14.196 7.441 ( -27.713 13.471 -3.964) 31.068 7.567 ( -4.622 -4.151 -1.573) 6.408 7.882 ( 3.805 -0.024 -1.764) 4.195 8.544 ( -5.296 -9.011 -0.397) 10.460 8.836 ( 10.086 -26.502 0.084) 28.357 9.456 ( 7.199 18.556 1.200) 19.939 9.814 ( 17.131 8.155 0.516) 18.980 12.186 ( -15.900 -20.965 2.601) 26.441 12.857 ( 3.891 10.530 3.680) 11.814 14.113 ( -5.709 -12.061 -0.713) 13.363 14.702 ( 9.976 13.877 0.482) 17.097 16.399 ( -6.802 6.122 -1.161) 9.225 17.424 ( -4.538 -9.919 -0.873) 10.942 17.798 ( 4.006 10.220 -7.651) 13.380 18.223 ( -8.089 1.034 10.975) 13.673 18.589 ( 2.694 -5.980 10.401) 12.297 19.267 ( 3.042 0.216 -8.936) 9.442 19.998 ( -2.113 -5.741 -7.651) 9.796 21.347 ( 0.711 1.308 -0.371) 1.534 21.392 ( 2.179 1.170 -1.626) 2.960 21.945 ( 2.816 3.735 -0.685) 4.727 ======================= Grid point 559 (108/143) ======================= q-point: (-0.33 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -2.926 3.570 -3.565) 5.832 2.893 ( -2.114 2.072 8.101) 8.625 3.457 ( 18.411 25.782 2.933) 31.816 4.277 ( -9.271 8.831 0.635) 12.820 4.621 ( -12.360 4.422 -4.465) 13.866 5.564 ( 13.952 -6.471 -0.241) 15.382 7.073 ( -29.142 15.928 -2.204) 33.284 7.426 ( -4.359 -5.975 -2.232) 7.726 7.868 ( -6.607 6.351 -0.161) 9.166 8.518 ( 12.053 -13.055 -2.045) 17.885 8.741 ( 10.180 -27.590 -2.206) 29.491 9.650 ( -3.504 17.794 0.935) 18.160 10.344 ( 30.564 9.843 1.881) 32.165 11.649 ( -21.009 -23.259 2.428) 31.436 12.985 ( 0.627 7.690 4.614) 8.990 13.939 ( -1.908 -9.363 -0.884) 9.596 14.989 ( 7.897 10.680 0.951) 13.316 16.320 ( -12.281 12.168 -1.164) 17.327 17.272 ( -1.882 -8.296 1.448) 8.629 17.950 ( 1.135 10.388 -6.478) 12.295 18.123 ( -4.881 1.090 6.802) 8.443 18.571 ( 1.002 -3.452 10.534) 11.130 19.319 ( 3.552 -1.701 -9.856) 10.613 19.903 ( -0.567 -7.565 -4.408) 8.774 21.370 ( 0.507 0.951 -0.701) 1.285 21.433 ( 1.777 0.005 -1.659) 2.431 22.013 ( 1.790 1.813 -2.394) 3.496 ======================= Grid point 560 (109/143) ======================= q-point: (-0.25 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -3.152 5.460 1.055) 6.392 2.881 ( 0.856 -1.482 6.119) 6.354 3.959 ( -8.098 14.027 3.107) 16.492 4.072 ( -12.417 21.506 1.191) 24.862 4.518 ( -0.861 1.492 -5.529) 5.791 5.661 ( 6.458 -11.186 -1.639) 13.020 6.881 ( -14.237 24.660 -1.336) 28.506 7.352 ( 1.859 -3.221 -2.479) 4.469 7.839 ( -5.281 9.146 0.146) 10.562 8.591 ( 7.481 -12.957 -0.677) 14.977 8.666 ( 16.498 -28.576 -4.651) 33.323 9.708 ( -8.806 15.253 1.041) 17.643 10.887 ( 4.983 -8.630 1.470) 10.073 11.124 ( 3.573 -6.188 2.900) 7.711 13.029 ( -2.976 5.155 4.987) 7.765 13.875 ( 3.406 -5.900 -0.931) 6.876 15.121 ( -1.837 3.181 1.184) 3.860 16.264 ( -10.318 17.871 -1.262) 20.674 17.213 ( 3.024 -5.239 2.823) 6.675 18.022 ( -5.497 9.522 -6.330) 12.687 18.078 ( 0.031 -0.054 5.228) 5.228 18.562 ( 0.715 -1.239 10.139) 10.239 19.343 ( 1.971 -3.413 -10.666) 11.371 19.856 ( 3.688 -6.387 -2.550) 7.804 21.379 ( -0.251 0.435 -0.814) 0.957 21.449 ( 0.599 -1.037 -1.630) 2.022 22.038 ( -0.095 0.165 -3.004) 3.010 ======================= Grid point 570 (110/143) ======================= q-point: (-0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 1.549 2.683 -6.352) 7.067 2.921 ( -3.719 -6.441 11.117) 13.376 3.423 ( 19.462 33.710 2.161) 38.984 4.377 ( 2.390 4.139 -2.083) 5.213 4.855 ( -0.140 -0.242 -4.544) 4.553 5.337 ( 0.683 1.183 2.828) 3.141 7.409 ( -4.702 -8.144 -3.176) 9.925 7.576 ( -3.210 -5.560 -6.168) 8.903 7.871 ( 0.927 1.605 0.987) 2.100 8.368 ( -6.913 -11.973 -3.712) 14.315 8.433 ( -4.643 -8.042 0.953) 9.335 9.916 ( 12.932 22.399 2.721) 26.007 9.982 ( 7.054 12.217 1.319) 14.169 11.715 ( -15.313 -26.523 2.605) 30.737 13.018 ( 3.435 5.950 4.902) 8.440 13.907 ( -4.853 -8.405 -1.186) 9.778 14.974 ( 7.333 12.701 1.102) 14.708 16.506 ( 2.696 4.669 -1.118) 5.506 17.228 ( -5.424 -9.395 -0.207) 10.851 17.987 ( 4.679 8.104 -6.326) 11.295 18.228 ( -0.381 -0.660 10.401) 10.429 18.460 ( -3.076 -5.328 9.981) 11.724 19.318 ( 2.246 3.891 -8.502) 9.616 19.864 ( -4.293 -7.435 -6.576) 10.814 21.372 ( 0.694 1.202 -0.676) 1.543 21.416 ( 0.588 1.019 -1.614) 1.998 22.007 ( 1.412 2.445 -2.653) 3.874 ======================= Grid point 572 (111/143) ======================= q-point: (-0.33 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( -1.222 5.238 0.362) 5.391 2.814 ( -0.065 -6.855 7.405) 10.090 4.088 ( 14.936 32.617 1.875) 35.923 4.441 ( -0.675 6.900 -2.679) 7.432 4.682 ( -19.671 1.142 -2.118) 19.818 5.398 ( 9.483 -10.297 -0.074) 13.999 7.266 ( -5.131 -1.393 -4.088) 6.707 7.383 ( -13.604 8.510 -3.440) 16.411 7.918 ( 5.429 -6.536 1.221) 8.584 8.216 ( 2.815 -10.947 -5.862) 12.733 8.371 ( 4.770 -10.000 -0.651) 11.099 10.058 ( -9.804 22.301 2.276) 24.467 10.508 ( 29.180 6.765 2.599) 30.066 11.164 ( -17.786 -25.438 2.783) 31.164 13.095 ( 0.174 3.677 5.629) 6.726 13.793 ( -0.465 -5.214 -1.454) 5.433 15.162 ( 2.545 6.451 1.574) 7.111 16.575 ( -5.440 13.564 -1.066) 14.653 17.083 ( 1.221 -10.983 0.572) 11.066 18.099 ( 0.782 5.234 2.709) 5.945 18.195 ( -5.591 5.383 -0.489) 7.776 18.411 ( 5.594 -10.286 10.699) 15.861 19.391 ( -0.856 7.063 -8.895) 11.390 19.735 ( 0.159 -9.207 -4.798) 10.383 21.390 ( -0.005 1.165 -0.946) 1.500 21.429 ( 0.660 -0.513 -1.429) 1.656 22.040 ( 0.475 0.880 -3.683) 3.817 ======================= Grid point 585 (112/143) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( -3.452 -5.979 4.340) 8.155 2.673 ( 3.452 5.979 4.340) 8.155 4.504 ( 0.000 0.000 -4.756) 4.756 4.590 ( -6.797 -11.773 0.990) 13.630 4.590 ( 6.797 11.773 0.990) 13.630 5.248 ( 0.000 0.000 -0.461) 0.461 7.226 ( 0.000 0.000 -3.825) 3.825 7.631 ( -7.681 -13.305 -3.227) 15.698 7.631 ( 7.681 13.305 -3.227) 15.698 8.224 ( -2.783 -4.821 -2.002) 5.916 8.224 ( 2.783 4.821 -2.002) 5.916 10.372 ( 0.000 0.000 2.247) 2.247 10.698 ( -9.185 -15.909 3.127) 18.634 10.698 ( 9.185 15.909 3.127) 18.634 13.132 ( 0.000 0.000 6.000) 6.000 13.740 ( 0.000 0.000 -1.670) 1.670 15.228 ( 0.000 0.000 1.816) 1.816 16.842 ( -6.605 -11.440 -0.457) 13.218 16.842 ( 6.605 11.440 -0.457) 13.218 18.218 ( -3.511 -6.081 9.345) 11.689 18.218 ( 3.511 6.081 9.345) 11.689 18.267 ( 0.000 0.000 -6.152) 6.152 19.553 ( -4.489 -7.774 -6.176) 10.897 19.553 ( 4.489 7.774 -6.176) 10.897 21.413 ( -0.522 -0.904 -1.183) 1.578 21.413 ( 0.522 0.904 -1.183) 1.578 22.048 ( 0.000 0.000 -4.112) 4.112 ======================= Grid point 628 (113/143) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 0.000 -0.000 10.195) 10.195 2.112 ( 0.000 0.000 10.195) 10.195 3.270 ( 0.000 0.000 -6.069) 6.069 3.270 ( 0.000 0.000 -6.069) 6.069 3.471 ( 0.000 -0.000 13.727) 13.727 6.073 ( 0.000 0.000 -3.464) 3.464 6.132 ( 0.000 -0.000 0.395) 0.395 7.101 ( 0.000 -0.000 -1.433) 1.433 7.101 ( 0.000 0.000 -1.433) 1.433 9.432 ( 0.000 -0.000 -1.655) 1.655 10.028 ( 0.000 0.000 -1.385) 1.385 10.144 ( 0.000 0.000 0.743) 0.743 10.144 ( 0.000 0.000 0.743) 0.743 11.810 ( 0.000 0.000 -0.042) 0.042 11.810 ( 0.000 0.000 -0.042) 0.042 14.404 ( 0.000 0.000 -0.848) 0.848 14.404 ( 0.000 0.000 -0.848) 0.848 15.215 ( 0.000 -0.000 1.320) 1.320 15.215 ( 0.000 0.000 1.320) 1.320 17.274 ( 0.000 -0.000 1.478) 1.478 17.274 ( 0.000 0.000 1.478) 1.478 18.300 ( 0.000 -0.000 0.486) 0.486 19.874 ( 0.000 -0.000 -0.276) 0.276 21.440 ( 0.000 0.000 0.184) 0.184 21.518 ( 0.000 0.000 -0.836) 0.836 21.518 ( 0.000 0.000 -0.836) 0.836 22.495 ( 0.000 0.000 -0.352) 0.352 ======================= Grid point 629 (114/143) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -6.992 11.746 13.217) 19.015 2.476 ( 31.911 -1.087 1.704) 31.975 3.171 ( -10.483 2.159 5.507) 12.037 3.383 ( 9.009 -2.727 -2.817) 9.825 3.518 ( 5.939 8.336 0.589) 10.252 5.799 ( -18.504 -11.728 0.115) 21.908 6.118 ( -1.211 -0.930 0.242) 1.546 7.122 ( 2.062 1.568 -1.392) 2.940 7.175 ( 4.908 4.200 -2.102) 6.793 9.378 ( -4.147 -2.943 -0.851) 5.156 9.893 ( -6.782 -4.018 -1.286) 7.987 10.128 ( -1.028 -1.433 0.723) 1.906 10.608 ( 27.055 16.240 -1.505) 31.591 11.762 ( -3.059 -0.203 -0.040) 3.066 11.859 ( 4.856 1.267 -0.160) 5.022 14.381 ( -2.603 0.643 -0.624) 2.753 14.515 ( 9.769 4.000 -1.037) 10.607 15.196 ( -0.613 -2.047 1.208) 2.454 15.492 ( 23.297 14.801 -0.799) 27.613 17.287 ( 1.002 1.426 1.794) 2.502 17.301 ( 2.453 0.800 0.951) 2.750 18.295 ( -0.479 -0.343 0.473) 0.755 19.896 ( 1.879 1.121 -0.252) 2.202 21.407 ( -7.656 -4.432 0.542) 8.863 21.439 ( -3.159 -0.467 -1.226) 3.421 21.510 ( -0.241 -1.138 -0.938) 1.495 22.387 ( -8.193 -5.220 0.409) 9.723 ======================= Grid point 630 (115/143) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -2.599 8.113 6.155) 10.510 2.900 ( 9.851 -10.774 10.045) 17.720 2.986 ( -3.344 8.813 -3.163) 9.942 3.670 ( 23.632 -1.351 5.058) 24.205 3.780 ( 8.358 18.233 -7.605) 21.451 5.461 ( -6.037 -4.071 3.745) 8.188 6.065 ( -3.163 -2.644 -0.156) 4.126 7.209 ( 5.240 3.420 -1.152) 6.362 7.306 ( 4.617 4.481 -1.772) 6.673 9.253 ( -5.642 -4.229 -0.336) 7.059 9.694 ( -10.812 -6.517 -1.356) 12.696 10.082 ( -2.252 -2.349 0.602) 3.309 10.937 ( -3.875 -1.266 -1.298) 4.279 11.883 ( 12.641 12.471 -0.243) 17.759 11.993 ( 9.635 0.428 -0.348) 9.651 14.340 ( -2.426 0.368 -0.615) 2.530 14.752 ( 9.303 4.433 -0.221) 10.308 15.194 ( 3.953 1.170 0.381) 4.140 16.239 ( 39.098 23.254 -4.694) 45.732 17.341 ( 2.687 3.240 2.049) 4.682 17.372 ( 4.530 1.686 0.093) 4.834 18.273 ( -1.450 -1.044 0.486) 1.851 19.950 ( 2.503 1.571 -0.219) 2.963 21.068 ( -21.710 -10.597 -0.423) 24.162 21.404 ( -1.642 -1.067 -0.145) 1.964 21.490 ( -0.704 -1.314 -0.886) 1.734 22.184 ( -7.622 -5.870 1.281) 9.705 ======================= Grid point 631 (116/143) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -0.077 3.472 -0.704) 3.544 2.784 ( -5.952 2.610 8.230) 10.486 3.169 ( 9.223 0.579 -1.141) 9.311 3.971 ( 10.153 6.087 2.198) 12.040 4.085 ( 10.225 3.165 -4.558) 11.633 5.646 ( 22.077 13.205 4.550) 26.124 5.949 ( -6.191 -5.096 -0.578) 8.039 7.367 ( 8.192 5.438 -0.879) 9.872 7.414 ( 3.879 3.064 -1.110) 5.066 9.128 ( -4.111 -3.111 0.062) 5.156 9.398 ( -14.657 -9.047 -1.356) 17.278 10.000 ( -3.887 -3.968 0.386) 5.568 10.613 ( -21.932 -10.712 -0.931) 24.426 12.174 ( 5.166 11.790 0.560) 12.885 12.258 ( 17.994 2.095 -0.123) 18.116 14.311 ( -1.395 0.403 -0.515) 1.540 14.794 ( -3.576 -2.986 0.686) 4.709 15.451 ( 17.547 9.901 -0.460) 20.153 17.117 ( 31.027 18.372 -5.520) 36.478 17.443 ( 4.735 4.181 2.013) 6.630 17.530 ( 14.077 7.883 -1.103) 16.172 18.227 ( -2.203 -1.572 0.699) 2.795 19.998 ( 1.226 0.923 -0.185) 1.546 20.502 ( -28.636 -14.240 -0.305) 31.983 21.363 ( -1.499 -1.444 -0.084) 2.083 21.458 ( -1.367 -1.639 -0.715) 2.251 22.032 ( -4.304 -4.517 1.146) 6.344 ======================= Grid point 632 (117/143) ======================= q-point: ( 0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.445 2.189 -4.661) 5.169 2.764 ( -0.929 3.812 4.931) 6.302 3.299 ( 4.742 1.467 1.284) 5.127 4.143 ( 3.153 4.979 3.842) 7.035 4.258 ( 11.077 1.378 -4.769) 12.139 5.745 ( -9.819 -7.307 0.029) 12.240 6.327 ( 33.940 18.924 2.133) 38.917 7.504 ( 3.767 2.151 -0.700) 4.394 7.592 ( 10.626 6.848 -0.626) 12.657 9.023 ( -16.781 -4.242 0.428) 17.314 9.081 ( 0.099 -6.239 -1.272) 6.368 9.871 ( -4.210 -8.169 0.371) 9.197 10.063 ( -28.983 -10.434 -1.043) 30.822 12.375 ( 6.502 8.074 0.585) 10.383 12.518 ( 10.011 2.601 0.790) 10.374 14.299 ( -0.541 0.264 -0.343) 0.693 14.661 ( -6.449 -4.204 0.455) 7.712 15.878 ( 18.669 10.706 -0.400) 21.524 17.437 ( 4.903 3.319 -3.456) 6.856 17.559 ( 3.475 3.083 1.540) 4.894 18.144 ( 29.069 17.029 -1.205) 33.711 18.198 ( 2.563 1.444 0.843) 3.060 19.847 ( -27.416 -14.290 1.381) 30.948 20.015 ( -2.664 -0.759 -2.834) 3.964 21.330 ( -0.733 -1.253 -0.096) 1.455 21.412 ( -1.924 -1.948 -0.529) 2.789 21.939 ( -2.108 -3.520 0.753) 4.172 ======================= Grid point 633 (118/143) ======================= q-point: ( 0.42 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -2.445 1.608 -6.441) 7.075 2.805 ( 1.310 2.790 1.961) 3.653 3.360 ( 0.572 2.198 3.869) 4.487 4.219 ( 2.724 1.056 1.145) 3.138 4.486 ( 11.039 4.285 -2.674) 12.139 5.489 ( -10.287 -7.618 1.189) 12.856 7.071 ( 30.779 16.231 -0.072) 34.796 7.577 ( 2.717 0.998 -0.530) 2.942 7.817 ( 5.897 3.764 -0.715) 7.032 8.708 ( -9.281 -3.870 -0.419) 10.064 9.102 ( 3.042 0.174 0.380) 3.070 9.446 ( -25.437 -16.877 0.044) 30.527 9.725 ( -7.589 -0.945 -0.499) 7.664 12.536 ( 3.971 5.498 0.818) 6.831 12.661 ( 4.793 1.138 1.011) 5.029 14.295 ( -0.033 -0.149 -0.185) 0.239 14.525 ( -4.784 -2.610 0.134) 5.451 16.248 ( 12.891 7.337 -0.431) 14.839 17.513 ( 2.756 -0.104 -3.764) 4.667 17.584 ( -2.711 1.235 0.379) 3.003 18.316 ( 9.806 6.547 3.583) 12.324 18.727 ( 17.642 10.971 2.849) 20.969 19.263 ( -22.886 -12.468 -2.511) 26.183 19.958 ( -3.383 -1.330 -3.283) 4.898 21.316 ( 0.262 -0.768 -0.132) 0.822 21.361 ( -1.679 -1.821 -0.359) 2.503 21.887 ( -0.432 -2.729 0.493) 2.806 ======================= Grid point 634 (119/143) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -1.441 2.496 -6.871) 7.451 2.835 ( -0.388 0.673 0.366) 0.859 3.374 ( -1.483 2.568 5.495) 6.244 4.249 ( 0.416 -0.720 0.256) 0.870 4.631 ( 1.091 -1.890 -3.408) 4.047 5.334 ( 0.596 -1.032 2.705) 2.956 7.566 ( 0.707 -1.224 -2.047) 2.488 7.602 ( 1.557 -2.697 0.364) 3.136 7.756 ( -1.240 2.147 -1.371) 2.833 8.726 ( 0.507 -0.878 0.417) 1.096 9.010 ( -1.249 2.164 0.222) 2.508 9.140 ( 0.467 -0.809 0.635) 1.130 9.645 ( -0.489 0.847 -0.469) 1.085 12.600 ( -1.185 2.053 0.937) 2.549 12.707 ( 0.435 -0.754 1.035) 1.353 14.294 ( 0.258 -0.448 -0.117) 0.530 14.468 ( -0.257 0.446 -0.012) 0.515 16.406 ( 0.049 -0.084 -0.495) 0.505 17.532 ( 4.218 -7.305 -2.358) 8.759 17.555 ( -4.534 7.854 -1.578) 9.205 18.550 ( -1.082 1.874 5.788) 6.180 18.794 ( -0.727 1.259 8.625) 8.747 19.043 ( 0.632 -1.095 -8.318) 8.414 19.910 ( -0.294 0.510 -4.497) 4.535 21.325 ( -0.435 -1.288 -0.340) 1.401 21.325 ( 1.214 -0.061 -0.094) 1.219 21.870 ( 1.102 -1.909 0.409) 2.242 ======================= Grid point 642 (120/143) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 2.821 4.887 -10.806) 12.191 2.546 ( 5.734 9.932 19.244) 22.402 3.259 ( 0.558 0.966 0.318) 1.159 3.322 ( 3.657 6.335 9.807) 12.235 3.802 ( 9.962 17.254 -8.067) 21.494 5.510 ( -6.940 -12.021 3.736) 14.374 6.078 ( -1.883 -3.261 0.564) 3.807 7.170 ( 2.379 4.120 -1.848) 5.104 7.301 ( 3.736 6.471 -3.380) 8.201 9.285 ( -3.392 -5.876 0.408) 6.797 9.760 ( -5.392 -9.338 -1.137) 10.843 10.062 ( -2.988 -5.175 1.431) 6.144 11.020 ( 10.191 17.651 -2.393) 20.521 11.649 ( -4.218 -7.305 -1.158) 8.515 12.042 ( 8.814 15.266 0.791) 17.645 14.350 ( -1.832 -3.174 -2.147) 4.247 14.721 ( 8.981 15.555 -0.249) 17.963 15.143 ( -1.620 -2.806 2.264) 3.953 16.020 ( 21.449 37.151 -4.471) 43.130 17.323 ( 1.226 2.123 0.811) 2.582 17.353 ( 2.642 4.577 0.970) 5.373 18.280 ( -0.780 -1.350 0.632) 1.682 19.935 ( 1.484 2.571 -0.319) 2.985 21.201 ( -9.819 -17.007 -2.107) 19.751 21.423 ( -0.823 -1.426 -0.502) 1.721 21.481 ( -0.886 -1.535 0.217) 1.786 22.224 ( -5.602 -9.704 2.371) 11.453 ======================= Grid point 643 (121/143) ======================= q-point: ( 0.17 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -9.081 15.848 -5.031) 18.946 2.705 ( 11.314 -7.879 2.364) 13.988 3.248 ( -7.985 16.643 5.026) 19.131 3.638 ( 23.465 -1.512 4.834) 24.005 4.079 ( 4.395 9.847 -3.568) 11.359 5.500 ( 9.480 10.280 4.112) 14.576 5.985 ( -4.124 -5.398 1.065) 6.876 7.296 ( 6.341 6.227 -1.901) 9.088 7.395 ( 1.865 2.999 -2.503) 4.329 9.168 ( -4.083 -4.025 0.987) 5.818 9.531 ( -10.414 -9.452 -0.806) 14.087 9.924 ( -2.631 -13.379 1.537) 13.722 11.037 ( -22.829 10.164 -2.232) 25.088 11.690 ( 22.182 -16.082 -1.644) 27.448 12.372 ( 6.883 21.010 1.346) 22.150 14.281 ( -0.848 -5.656 -1.703) 5.967 14.950 ( -6.852 12.707 1.011) 14.472 15.217 ( 17.462 3.251 0.275) 17.764 16.853 ( 29.454 36.485 -6.332) 47.316 17.379 ( 3.585 1.399 0.440) 3.874 17.478 ( 5.100 8.543 -0.174) 9.951 18.240 ( -1.687 -2.308 0.918) 3.003 19.985 ( 1.489 1.591 -0.473) 2.230 20.746 ( -20.043 -21.769 -3.189) 29.762 21.383 ( -2.044 -1.144 0.376) 2.372 21.452 ( -0.427 -2.298 0.449) 2.380 22.053 ( -4.505 -6.600 3.632) 8.778 ======================= Grid point 644 (122/143) ======================= q-point: ( 0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -7.895 16.014 -5.434) 18.663 2.815 ( 3.997 3.788 -2.410) 6.011 3.298 ( -2.522 10.355 4.535) 11.582 4.005 ( 19.668 0.458 -0.132) 19.674 4.162 ( 0.398 2.840 1.697) 3.332 5.826 ( -7.534 -6.998 1.761) 10.433 5.987 ( 26.437 19.728 3.276) 33.149 7.438 ( 2.906 -1.270 -1.041) 3.338 7.501 ( 8.871 8.203 -1.775) 12.212 9.065 ( -4.350 -5.929 -0.364) 7.363 9.246 ( -13.187 -3.087 0.753) 13.565 9.703 ( -2.452 -22.590 1.403) 22.766 10.648 ( -31.408 10.137 -2.557) 33.102 11.936 ( 23.901 -16.872 -1.576) 29.298 12.652 ( 2.613 18.903 1.454) 19.138 14.212 ( 1.187 -8.965 -0.919) 9.089 14.871 ( -11.102 8.379 0.917) 13.940 15.645 ( 20.708 10.742 -0.375) 23.331 17.391 ( 3.514 4.771 -2.072) 6.277 17.546 ( 7.650 10.301 -1.687) 12.942 17.861 ( 25.875 24.366 -2.837) 35.655 18.189 ( -0.951 -2.088 1.385) 2.680 19.999 ( -1.528 -1.705 0.005) 2.290 20.146 ( -22.875 -20.844 -4.247) 31.237 21.340 ( -1.640 -0.981 0.908) 2.115 21.417 ( -1.067 -2.306 0.586) 2.607 21.939 ( -2.613 -4.688 3.828) 6.592 ======================= Grid point 645 (123/143) ======================= q-point: ( 0.33 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -8.545 16.446 -8.834) 20.531 2.908 ( -2.662 12.680 -1.224) 13.014 3.349 ( 0.603 2.877 2.302) 3.733 4.199 ( 1.599 2.100 1.764) 3.174 4.324 ( 14.599 4.939 0.223) 15.414 5.596 ( -10.542 -7.552 2.697) 13.246 6.677 ( 31.898 15.490 2.441) 35.544 7.476 ( 5.162 -5.077 0.184) 7.243 7.745 ( 9.080 8.404 -1.542) 12.469 8.796 ( -12.348 -13.417 -2.288) 18.378 9.105 ( -5.018 -5.725 2.314) 7.957 9.450 ( -2.882 -11.194 0.809) 11.587 10.221 ( -30.768 12.315 -2.519) 33.237 12.148 ( 20.312 -17.461 -1.214) 26.813 12.836 ( -1.077 16.174 0.989) 16.240 14.146 ( 3.165 -11.952 -0.270) 12.367 14.773 ( -11.399 11.443 0.251) 16.154 16.079 ( 16.981 10.146 -0.300) 19.783 17.425 ( 1.517 -3.991 -1.136) 4.418 17.704 ( -0.793 10.480 -3.165) 10.976 18.218 ( 6.391 2.343 2.113) 7.127 18.524 ( 22.223 19.103 -0.587) 29.311 19.514 ( -23.563 -18.744 -2.884) 30.247 19.976 ( -1.821 -3.683 -3.066) 5.126 21.313 ( -0.624 -0.521 1.117) 1.381 21.373 ( -1.641 -1.843 0.732) 2.574 21.867 ( -1.005 -3.672 3.873) 5.431 ======================= Grid point 646 (124/143) ======================= q-point: ( 0.42 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -10.428 17.343 -10.759) 22.919 2.969 ( -6.888 15.548 -0.070) 17.006 3.373 ( 1.561 -1.560 0.620) 2.293 4.243 ( 0.800 1.512 1.564) 2.318 4.579 ( 7.359 5.160 0.363) 8.995 5.362 ( -7.076 -5.010 4.019) 9.557 7.303 ( 25.267 6.195 1.636) 26.067 7.504 ( 4.886 -7.647 0.764) 9.107 7.880 ( -3.779 2.965 -1.588) 5.059 8.551 ( 3.634 -12.047 -0.442) 12.590 8.834 ( -4.368 -23.116 -0.211) 23.526 9.480 ( -4.554 21.723 0.273) 22.197 9.873 ( -21.167 9.958 -1.732) 23.457 12.270 ( 15.076 -19.553 -0.892) 24.706 12.933 ( -4.893 13.570 0.548) 14.435 14.095 ( 5.605 -12.733 0.014) 13.912 14.717 ( -10.105 14.550 -0.097) 17.715 16.376 ( 6.866 5.803 -0.295) 8.995 17.385 ( 2.244 -8.383 -0.660) 8.704 17.744 ( -5.405 10.323 -3.691) 12.224 18.458 ( 13.908 7.545 1.771) 15.922 18.877 ( -3.986 -1.117 9.800) 10.639 19.044 ( -5.643 -4.220 -10.590) 12.721 19.901 ( -0.979 -4.447 -4.716) 6.556 21.309 ( 0.471 0.114 1.103) 1.205 21.331 ( -1.331 -1.093 0.900) 1.943 21.832 ( 0.586 -2.829 3.931) 4.879 ======================= Grid point 655 (125/143) ======================= q-point: ( 0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 0.768 1.330 -2.304) 2.769 2.695 ( 8.500 14.723 -8.340) 18.937 3.605 ( 5.920 10.254 0.358) 11.846 3.618 ( 4.882 8.456 6.221) 11.578 4.176 ( 1.013 1.755 1.900) 2.778 5.855 ( 13.738 23.795 3.300) 27.673 5.856 ( -4.445 -7.698 2.514) 9.238 7.406 ( -0.843 -1.460 -1.307) 2.134 7.461 ( 5.988 10.371 -2.326) 12.199 9.078 ( -3.832 -6.637 0.236) 7.668 9.372 ( -2.727 -4.723 0.599) 5.486 9.583 ( -11.895 -20.602 1.653) 23.846 11.224 ( -1.061 -1.837 -3.378) 3.989 11.388 ( -2.687 -4.655 -1.331) 5.537 12.725 ( 8.523 14.763 1.377) 17.102 14.152 ( -4.008 -6.942 -1.063) 8.086 15.062 ( -0.150 -0.260 1.098) 1.138 15.469 ( 11.835 20.498 -0.503) 23.674 17.402 ( 0.517 0.895 -0.059) 1.036 17.508 ( 12.829 22.220 -5.010) 26.142 17.765 ( 15.080 26.119 -2.567) 30.268 18.187 ( -1.634 -2.831 1.457) 3.578 19.999 ( -0.266 -0.461 -0.896) 1.043 20.244 ( -16.299 -28.231 -4.884) 32.962 21.354 ( -1.021 -1.769 1.106) 2.323 21.410 ( -1.058 -1.833 1.373) 2.523 21.938 ( -2.932 -5.079 5.137) 7.796 ======================= Grid point 656 (126/143) ======================= q-point: ( 0.25 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -3.330 10.502 -9.190) 14.347 2.984 ( 8.170 10.768 -4.663) 14.299 3.579 ( -14.156 19.968 2.425) 24.596 4.028 ( 23.949 2.020 -0.711) 24.045 4.207 ( 1.237 2.256 4.592) 5.263 5.679 ( -7.471 -7.853 3.755) 11.471 6.370 ( 21.243 18.465 3.709) 28.390 7.362 ( 0.575 -5.874 0.484) 5.922 7.689 ( 8.025 10.689 -2.434) 13.586 8.869 ( -9.842 -11.826 -1.957) 15.510 9.105 ( -13.539 -25.405 1.889) 28.849 9.428 ( 4.290 7.806 1.495) 9.031 10.885 ( -31.780 12.294 -3.029) 34.210 11.569 ( 24.846 -20.100 -2.018) 32.022 12.960 ( 3.473 12.662 0.711) 13.149 14.020 ( -1.588 -9.667 -0.372) 9.804 15.037 ( -6.062 7.368 0.382) 9.549 15.900 ( 16.507 15.312 -0.293) 22.517 17.389 ( -1.055 -3.211 -0.386) 3.402 17.791 ( 4.771 13.252 -4.852) 14.897 18.155 ( 1.570 -0.863 1.939) 2.640 18.381 ( 19.825 26.167 -1.848) 32.882 19.672 ( -19.211 -24.370 -5.707) 31.552 19.960 ( -1.639 -4.458 -1.843) 5.095 21.322 ( -1.004 -0.817 1.737) 2.166 21.377 ( -0.961 -1.620 1.689) 2.529 21.853 ( -1.810 -3.979 6.058) 7.470 ======================= Grid point 657 (127/143) ======================= q-point: ( 0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -5.539 12.010 -12.103) 17.928 3.188 ( 6.235 6.086 -4.103) 9.631 3.519 ( -17.217 22.394 1.354) 28.280 4.249 ( 1.272 2.889 1.963) 3.717 4.443 ( 17.025 6.907 2.450) 18.536 5.454 ( -9.593 -6.834 4.533) 12.620 6.919 ( 25.928 9.305 3.757) 27.802 7.326 ( 4.215 -9.096 1.936) 10.211 7.913 ( 5.147 8.186 -2.089) 9.893 8.483 ( -13.633 -21.804 -0.206) 25.716 8.706 ( -5.406 -19.711 -1.098) 20.468 9.668 ( 5.794 21.793 0.391) 22.553 10.456 ( -31.564 10.968 -2.660) 33.522 11.754 ( 20.786 -22.332 -1.933) 30.570 13.099 ( -0.589 10.603 -0.044) 10.619 13.918 ( 1.451 -10.362 -0.028) 10.463 15.011 ( -7.789 11.628 0.027) 13.996 16.292 ( 12.404 11.712 -0.087) 17.060 17.299 ( -1.965 -8.747 -0.273) 8.969 17.929 ( -3.227 11.883 -4.316) 13.048 18.288 ( 12.315 4.654 0.107) 13.165 18.863 ( 10.235 13.206 5.123) 17.476 19.148 ( -15.683 -16.103 -9.970) 24.590 19.864 ( -2.066 -7.636 -3.307) 8.574 21.309 ( -0.143 0.078 1.954) 1.961 21.345 ( -1.294 -0.927 1.829) 2.425 21.799 ( -0.338 -3.200 6.736) 7.465 ======================= Grid point 658 (128/143) ======================= q-point: ( 0.42 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -6.973 12.077 -12.840) 18.956 3.290 ( 3.462 -5.996 -4.166) 8.080 3.464 ( -18.577 32.177 0.694) 37.161 4.276 ( -0.997 1.727 2.006) 2.829 4.659 ( -0.834 1.445 3.296) 3.694 5.303 ( 0.426 -0.738 4.680) 4.756 7.253 ( 5.822 -10.084 3.117) 12.054 7.355 ( 4.404 -7.628 2.787) 9.239 7.913 ( 0.451 -0.782 -0.316) 0.957 8.264 ( 7.084 -12.270 0.015) 14.169 8.535 ( 4.462 -7.728 -3.203) 9.480 9.996 ( -13.633 23.614 -0.579) 27.273 10.072 ( -8.403 14.554 -2.176) 16.945 11.823 ( 14.789 -25.616 -1.853) 29.637 13.147 ( -4.745 8.219 -0.361) 9.497 13.877 ( 5.154 -8.928 0.053) 10.309 15.002 ( -7.717 13.367 -0.059) 15.435 16.478 ( -2.562 4.438 -0.035) 5.124 17.216 ( 4.774 -8.269 -0.106) 9.549 17.954 ( -6.226 10.784 -3.485) 12.930 18.569 ( 0.431 -0.746 -3.917) 4.011 18.702 ( 3.438 -5.954 4.158) 8.035 19.120 ( -3.273 5.669 -4.410) 7.893 19.791 ( 3.638 -6.302 -4.768) 8.700 21.316 ( -0.001 0.002 1.579) 1.579 21.320 ( -0.245 0.423 2.278) 2.330 21.780 ( 1.340 -2.321 7.006) 7.501 ======================= Grid point 665 (129/143) ======================= q-point: (-0.08 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( -2.629 4.554 16.540) 17.356 2.897 ( 6.427 -11.131 -4.335) 13.564 3.063 ( -11.960 20.715 5.961) 24.651 3.525 ( -3.483 6.034 -9.030) 11.405 3.691 ( -10.296 17.834 5.806) 21.395 5.528 ( 7.162 -12.405 2.172) 14.488 6.090 ( 1.386 -2.400 -0.615) 2.839 7.159 ( -2.154 3.731 -0.857) 4.393 7.267 ( -3.334 5.775 -0.278) 6.675 9.303 ( 2.982 -5.165 -1.272) 6.099 9.764 ( 5.243 -9.081 -1.573) 10.604 10.080 ( 2.676 -4.634 -0.224) 5.356 11.006 ( -9.782 16.943 -1.091) 19.595 11.626 ( 4.512 -7.815 0.999) 9.079 12.065 ( -9.086 15.737 -1.346) 18.221 14.317 ( 2.016 -3.492 1.051) 4.167 14.736 ( -8.727 15.116 -1.550) 17.523 15.171 ( 1.455 -2.521 -0.373) 2.935 16.004 ( -21.516 37.267 -3.031) 43.139 17.303 ( -0.858 1.486 2.660) 3.166 17.361 ( -2.553 4.423 0.239) 5.113 18.283 ( 0.658 -1.140 0.311) 1.352 19.933 ( -1.405 2.434 -0.131) 2.814 21.169 ( 10.851 -18.794 1.029) 21.726 21.419 ( 0.577 -1.000 -0.087) 1.158 21.502 ( 0.581 -1.007 -1.719) 2.075 22.248 ( 4.762 -8.248 -0.024) 9.524 ======================= Grid point 669 (130/143) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 3.570 6.184 -12.769) 14.630 3.121 ( 1.899 3.288 -3.959) 5.486 4.024 ( 7.134 12.357 2.061) 14.416 4.129 ( 10.343 17.915 -1.125) 20.717 4.259 ( 1.722 2.983 4.386) 5.577 5.511 ( -5.416 -9.381 4.596) 11.768 6.721 ( 10.308 17.855 4.887) 21.188 7.238 ( -3.401 -5.891 2.337) 7.193 7.905 ( 6.019 10.425 -2.584) 12.312 8.508 ( -17.857 -30.929 1.837) 35.761 8.647 ( -6.521 -11.295 -2.985) 13.380 9.726 ( 11.261 19.505 0.517) 22.528 11.030 ( -4.371 -7.571 -4.350) 9.765 11.218 ( -3.438 -5.955 -0.993) 6.947 13.157 ( 4.318 7.479 -0.243) 8.639 13.853 ( -4.049 -7.013 -0.034) 8.098 15.149 ( 2.342 4.057 0.071) 4.685 16.231 ( 10.116 17.522 -0.004) 20.233 17.274 ( -4.840 -8.383 -0.137) 9.681 18.053 ( 7.173 12.424 -7.084) 15.999 18.168 ( 1.820 3.153 2.306) 4.310 18.836 ( 10.475 18.143 3.695) 21.273 19.208 ( -12.003 -20.791 -11.076) 26.439 19.840 ( -4.424 -7.663 -2.089) 9.091 21.311 ( -0.129 -0.223 2.159) 2.174 21.352 ( -0.605 -1.049 2.239) 2.545 21.785 ( -1.624 -2.813 7.852) 8.497 ======================= Grid point 670 (131/143) ======================= q-point: ( 0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -2.946 9.017 -12.473) 15.670 3.153 ( 3.965 -5.640 -6.844) 9.714 4.098 ( -15.383 29.437 2.100) 33.280 4.303 ( 0.288 2.333 2.454) 3.399 4.566 ( 16.016 4.184 3.329) 16.885 5.322 ( -5.622 -6.494 3.256) 9.186 7.053 ( 10.000 2.185 4.478) 11.172 7.191 ( 6.885 0.124 4.124) 8.026 7.864 ( -11.032 -23.420 3.233) 26.089 8.158 ( 3.249 3.387 -3.275) 5.723 8.454 ( -3.541 -9.102 -3.692) 10.441 10.154 ( 11.606 26.091 -1.440) 28.593 10.634 ( -31.127 6.824 -2.583) 31.971 11.279 ( 18.353 -25.523 -2.028) 31.502 13.256 ( -0.166 5.388 -0.862) 5.459 13.756 ( 0.348 -5.805 0.087) 5.816 15.200 ( -2.570 7.015 -0.016) 7.470 16.542 ( 5.754 13.681 0.216) 14.843 17.087 ( -2.659 -12.467 0.152) 12.749 18.165 ( -5.342 12.176 -2.662) 13.560 18.384 ( 15.854 4.370 -3.378) 16.789 18.733 ( -12.301 -16.447 -0.818) 20.554 19.209 ( 4.143 12.886 -5.220) 14.507 19.682 ( -1.817 -10.615 -3.165) 11.224 21.314 ( 0.307 0.482 2.216) 2.289 21.333 ( -0.767 -0.410 2.414) 2.566 21.746 ( -0.052 -1.996 8.993) 9.213 ======================= Grid point 676 (132/143) ======================= q-point: (-0.17 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -2.455 13.689 9.171) 16.659 2.674 ( 0.615 -12.766 8.268) 15.222 3.307 ( 4.088 16.685 -3.227) 17.479 3.723 ( -15.992 -2.993 -3.716) 16.689 4.074 ( -9.086 16.421 -1.929) 18.866 5.493 ( -8.824 9.208 5.005) 13.700 6.016 ( 4.033 -3.631 -1.847) 5.732 7.280 ( -6.508 5.389 -0.361) 8.457 7.366 ( -3.032 2.903 0.089) 4.199 9.191 ( 4.705 -3.537 -1.230) 6.014 9.541 ( 10.314 -8.757 -1.756) 13.644 9.951 ( 2.632 -12.467 -0.972) 12.778 11.007 ( 22.983 8.870 0.537) 24.641 11.658 ( -21.932 -16.508 1.374) 27.485 12.398 ( -6.734 20.649 -0.987) 21.741 14.252 ( 0.069 -5.861 1.061) 5.957 14.967 ( 6.582 13.223 -0.593) 14.782 15.229 ( -16.225 2.684 -0.782) 16.464 16.841 ( -29.768 36.241 -5.302) 47.198 17.350 ( -3.773 0.612 3.174) 4.968 17.480 ( -4.960 7.805 -0.300) 9.253 18.247 ( 1.725 -1.948 0.222) 2.611 19.980 ( -1.487 1.300 -0.002) 1.975 20.690 ( 19.377 -24.133 2.306) 31.035 21.391 ( 1.587 -0.644 -0.377) 1.753 21.477 ( 1.046 -1.196 -1.855) 2.442 22.101 ( 4.837 -4.287 -1.032) 6.545 ======================= Grid point 682 (133/143) ======================= q-point: ( 0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -3.909 -6.770 -10.263) 12.901 3.017 ( 3.909 6.770 -10.263) 12.901 4.327 ( -0.000 -0.000 2.435) 2.435 4.522 ( -5.630 -9.751 4.441) 12.103 4.522 ( 5.630 9.751 4.441) 12.103 5.239 ( -0.000 -0.000 -0.112) 0.112 7.026 ( -0.000 -0.000 4.256) 4.256 7.409 ( -9.325 -16.151 4.959) 19.298 7.409 ( 9.325 16.151 4.959) 19.298 8.294 ( -3.851 -6.669 -3.930) 8.646 8.294 ( 3.851 6.669 -3.930) 8.646 10.545 ( 0.000 0.000 -4.735) 4.735 10.799 ( -9.189 -15.915 -1.044) 18.407 10.799 ( 9.189 15.915 -1.044) 18.407 13.310 ( -0.000 -0.000 -1.162) 1.162 13.698 ( -0.000 -0.000 0.123) 0.123 15.271 ( -0.000 -0.000 -0.013) 0.013 16.821 ( -7.113 -12.320 0.344) 14.230 16.821 ( 7.113 12.320 0.344) 14.230 18.407 ( -4.538 -7.860 2.641) 9.453 18.407 ( 4.538 7.860 2.641) 9.453 18.468 ( 0.000 0.000 -15.316) 15.316 19.456 ( -6.039 -10.459 -3.115) 12.473 19.456 ( 6.039 10.459 -3.115) 12.473 21.325 ( -0.244 -0.423 2.379) 2.429 21.325 ( 0.244 0.423 2.379) 2.429 21.726 ( -0.000 -0.000 9.932) 9.932 ======================= Grid point 689 (134/143) ======================= q-point: (-0.25 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( 5.913 13.323 1.015) 14.611 2.684 ( -6.955 0.419 10.010) 12.196 3.355 ( 4.474 9.496 -1.021) 10.546 3.966 ( -14.736 -0.944 2.312) 14.946 4.261 ( -2.596 6.361 -6.369) 9.369 5.864 ( 6.634 -3.389 -1.506) 7.601 5.997 ( -25.887 19.541 2.280) 32.515 7.430 ( -4.038 -0.421 -0.410) 4.081 7.482 ( -9.125 7.060 0.025) 11.537 9.057 ( 6.934 -7.595 0.167) 10.285 9.282 ( 11.649 -0.819 -2.477) 11.937 9.738 ( 2.476 -22.126 -1.849) 22.341 10.603 ( 31.558 8.995 1.642) 32.856 11.898 ( -24.170 -17.495 1.941) 29.901 12.664 ( -2.272 17.829 0.281) 17.975 14.197 ( -1.924 -8.748 0.535) 8.973 14.883 ( 11.634 8.167 -0.189) 14.215 15.647 ( -20.617 10.731 -0.534) 23.249 17.369 ( -4.206 3.548 0.132) 5.505 17.526 ( -7.801 9.501 0.152) 12.295 17.854 ( -25.935 23.940 -2.183) 35.362 18.196 ( 1.322 -1.896 0.636) 2.397 19.993 ( 1.276 -2.029 0.892) 2.558 20.085 ( 21.392 -23.200 1.293) 31.584 21.358 ( 1.677 -0.130 -0.794) 1.860 21.442 ( 1.767 -1.119 -1.726) 2.711 21.999 ( 3.733 -1.781 -1.985) 4.588 ======================= Grid point 690 (135/143) ======================= q-point: (-0.17 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 355 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 2.359 -4.085 7.326) 8.714 2.534 ( -11.075 19.182 7.209) 23.293 3.589 ( -5.296 9.172 0.560) 10.606 3.688 ( -2.016 3.491 -0.778) 4.106 4.273 ( -2.890 5.006 -6.532) 8.722 5.852 ( -14.715 25.487 3.952) 29.694 5.920 ( 3.614 -6.259 -3.433) 8.001 7.393 ( -0.005 0.009 -0.230) 0.231 7.433 ( -5.707 9.885 0.378) 11.420 9.085 ( 4.981 -8.627 -0.524) 9.975 9.404 ( 1.991 -3.449 -2.297) 4.597 9.623 ( 11.593 -20.080 -2.099) 23.281 11.169 ( 1.724 -2.986 1.807) 3.892 11.352 ( 2.748 -4.760 2.050) 5.866 12.736 ( -7.908 13.697 0.431) 15.822 14.132 ( 3.555 -6.157 0.898) 7.166 15.078 ( 0.559 -0.969 -0.453) 1.207 15.470 ( -11.823 20.478 -0.587) 23.653 17.363 ( -0.461 0.799 3.639) 3.754 17.487 ( -12.147 21.039 -2.997) 24.478 17.755 ( -14.981 25.948 -1.648) 30.007 18.198 ( 1.600 -2.771 0.267) 3.211 19.988 ( 0.417 -0.723 0.117) 0.843 20.157 ( 16.689 -28.907 3.491) 33.560 21.374 ( 0.620 -1.073 -0.798) 1.474 21.450 ( 0.815 -1.412 -2.365) 2.872 22.024 ( 2.023 -3.503 -3.129) 5.114 ======================= Grid point 702 (136/143) ======================= q-point: (-0.33 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 6.846 11.401 -1.105) 13.344 2.824 ( -1.917 10.700 6.773) 12.808 3.345 ( 2.949 1.415 2.583) 4.168 4.180 ( -6.947 3.623 2.246) 8.151 4.399 ( -8.733 6.303 -5.574) 12.127 5.644 ( 11.835 -5.305 -1.892) 13.107 6.711 ( -31.977 17.841 -0.578) 36.622 7.489 ( -5.346 -3.737 -1.172) 6.627 7.726 ( -9.954 7.540 0.260) 12.490 8.766 ( 12.048 -13.388 0.569) 18.020 9.149 ( 6.375 -5.478 -1.929) 8.624 9.475 ( 3.602 -12.653 -1.549) 13.247 10.170 ( 30.241 11.817 2.303) 32.549 12.111 ( -20.966 -18.278 2.192) 27.901 12.832 ( 1.149 14.739 1.366) 14.846 14.143 ( -3.586 -11.595 -0.063) 12.137 14.774 ( 11.722 11.089 0.161) 16.137 16.081 ( -16.965 10.328 -0.533) 19.869 17.416 ( -2.795 -4.319 -0.444) 5.164 17.673 ( 0.355 9.280 -0.097) 9.288 18.211 ( -5.293 1.241 2.762) 6.097 18.511 ( -22.097 18.139 0.727) 28.598 19.475 ( 21.409 -19.949 0.730) 29.272 19.961 ( 1.589 -4.204 -1.460) 4.725 21.336 ( 1.042 0.476 -1.033) 1.543 21.397 ( 2.315 -0.634 -1.593) 2.881 21.936 ( 2.572 -0.316 -2.662) 3.715 ======================= Grid point 703 (137/143) ======================= q-point: (-0.25 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 2.376 5.322 6.211) 8.518 2.875 ( -7.249 13.727 5.732) 16.548 3.583 ( 13.337 16.720 1.608) 21.448 3.980 ( -20.806 2.570 2.911) 21.165 4.343 ( -2.814 2.740 -7.405) 8.382 5.761 ( 7.806 -6.420 -3.928) 10.843 6.415 ( -22.665 21.224 -0.298) 31.052 7.382 ( -1.453 -4.069 -1.469) 4.564 7.653 ( -8.159 9.984 0.958) 12.929 8.842 ( 10.487 -12.505 0.512) 16.328 9.156 ( 13.451 -25.486 -2.958) 28.969 9.459 ( -3.395 7.079 -1.438) 7.982 10.824 ( 31.622 11.488 2.725) 33.754 11.520 ( -24.707 -20.387 2.514) 32.131 12.947 ( -2.925 11.246 1.937) 11.780 14.016 ( 1.129 -9.035 0.101) 9.106 15.039 ( 6.434 6.801 0.153) 9.364 15.904 ( -16.608 15.548 -0.640) 22.759 17.359 ( 0.133 -2.944 2.528) 3.883 17.744 ( -4.423 11.513 -0.449) 12.342 18.160 ( -0.666 -1.303 1.329) 1.977 18.364 ( -19.480 25.448 -0.195) 32.049 19.590 ( 17.797 -24.872 2.223) 30.664 19.944 ( 1.872 -4.485 -0.193) 4.863 21.354 ( 0.781 -0.243 -1.305) 1.540 21.421 ( 1.296 -0.917 -2.415) 2.890 21.965 ( 1.875 -1.660 -4.644) 5.276 ======================= Grid point 715 (138/143) ======================= q-point: (-0.42 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 7.892 12.101 -1.775) 14.556 2.942 ( 4.374 15.813 2.716) 16.630 3.296 ( -0.644 -5.627 7.551) 9.439 4.268 ( -0.553 2.910 -0.958) 3.113 4.639 ( -6.832 7.875 -4.865) 11.505 5.403 ( 8.671 -3.508 -0.006) 9.353 7.359 ( -24.936 9.257 -3.656) 26.849 7.532 ( -4.829 -5.617 -1.733) 7.607 7.862 ( 4.443 1.592 -0.047) 4.720 8.544 ( -5.961 -9.953 0.254) 11.604 8.834 ( 7.083 -25.891 -0.147) 26.843 9.475 ( 5.450 20.383 0.641) 21.109 9.837 ( 19.469 9.327 1.615) 21.648 12.237 ( -15.784 -20.567 2.225) 26.021 12.918 ( 4.452 12.148 1.995) 13.091 14.100 ( -5.690 -12.518 -0.458) 13.758 14.712 ( 10.162 14.356 0.381) 17.593 16.379 ( -6.755 6.003 -0.617) 9.058 17.391 ( -2.938 -8.676 -1.447) 9.273 17.714 ( 4.958 9.805 -0.941) 11.028 18.411 ( -12.922 4.055 6.393) 14.977 18.816 ( 3.456 -4.867 11.461) 12.922 19.076 ( 3.476 -0.883 -9.604) 10.252 19.884 ( 0.702 -5.137 -2.899) 5.940 21.333 ( 0.185 0.949 -0.998) 1.390 21.357 ( 1.922 0.310 -1.633) 2.541 21.905 ( 1.325 0.718 -3.014) 3.370 ======================= Grid point 716 (139/143) ======================= q-point: (-0.33 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 3.769 8.518 4.636) 10.405 3.064 ( -5.761 3.840 7.726) 10.374 3.510 ( 17.827 22.921 1.898) 29.099 4.274 ( -4.613 5.407 -0.718) 7.143 4.523 ( -15.007 6.323 -4.765) 16.967 5.532 ( 10.925 -6.431 -2.838) 12.991 7.005 ( -26.034 11.951 -4.191) 28.951 7.374 ( -4.431 -7.141 -2.596) 8.796 7.878 ( -6.094 7.597 1.155) 9.807 8.490 ( 12.985 -16.508 -0.802) 21.019 8.705 ( 7.367 -25.347 -1.039) 26.417 9.666 ( -4.617 19.942 0.546) 20.476 10.396 ( 30.794 10.607 2.985) 32.706 11.704 ( -21.075 -22.850 2.779) 31.209 13.066 ( 0.667 9.223 3.025) 9.729 13.923 ( -1.638 -9.998 -0.545) 10.146 15.005 ( 7.902 11.313 0.599) 13.812 16.299 ( -12.356 11.991 -0.771) 17.236 17.290 ( 0.991 -8.393 0.541) 8.468 17.880 ( 1.889 11.080 -0.213) 11.242 18.246 ( -9.465 2.379 4.430) 10.718 18.796 ( -5.635 6.212 10.446) 13.396 19.133 ( 8.705 -9.883 -7.380) 15.096 19.843 ( 2.289 -7.673 -1.186) 8.095 21.346 ( 0.353 0.552 -1.565) 1.697 21.390 ( 1.618 -0.142 -2.382) 2.883 21.928 ( 1.216 -0.435 -5.586) 5.733 ======================= Grid point 717 (140/143) ======================= q-point: (-0.25 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( -3.010 5.213 8.174) 10.152 3.013 ( -0.455 0.788 6.303) 6.368 4.012 ( -7.764 13.448 2.036) 15.661 4.101 ( -11.115 19.252 1.534) 22.284 4.388 ( -1.396 2.419 -6.910) 7.454 5.602 ( 5.793 -10.034 -3.955) 12.243 6.820 ( -11.661 20.198 -4.362) 23.727 7.294 ( 2.410 -4.175 -2.965) 5.659 7.858 ( -5.912 10.240 1.735) 11.950 8.572 ( 17.446 -30.218 -4.177) 35.142 8.600 ( 7.121 -12.334 1.491) 14.320 9.725 ( -10.050 17.406 0.563) 20.107 10.943 ( 4.501 -7.795 3.794) 9.768 11.181 ( 3.464 -6.000 2.491) 7.362 13.118 ( -3.660 6.340 3.418) 8.079 13.859 ( 3.807 -6.593 -0.575) 7.635 15.142 ( -2.150 3.723 0.720) 4.359 16.241 ( -10.263 17.775 -0.883) 20.544 17.258 ( 4.263 -7.384 1.474) 8.653 17.965 ( -5.960 10.323 0.953) 11.958 18.164 ( -1.386 2.400 2.627) 3.818 18.775 ( -6.812 11.799 9.372) 16.537 19.161 ( 8.210 -14.219 -5.985) 17.476 19.823 ( 4.409 -7.637 -0.495) 8.832 21.352 ( -0.070 0.121 -1.755) 1.761 21.404 ( 0.518 -0.897 -2.589) 2.788 21.936 ( 0.680 -1.178 -6.561) 6.701 ======================= Grid point 727 (141/143) ======================= q-point: (-0.42 0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 5.482 9.495 3.931) 11.648 3.142 ( -4.620 -8.003 9.733) 13.421 3.459 ( 18.898 32.733 1.110) 37.813 4.325 ( 1.560 2.703 -2.670) 4.107 4.752 ( 1.010 1.749 -5.194) 5.572 5.359 ( -0.364 -0.631 -0.779) 1.067 7.330 ( -5.224 -9.048 -4.182) 11.253 7.446 ( -3.315 -5.741 -5.851) 8.842 7.895 ( 1.068 1.850 1.251) 2.475 8.297 ( -8.015 -13.882 -2.895) 16.289 8.473 ( -4.910 -8.504 2.684) 10.179 9.967 ( 13.290 23.019 2.104) 26.664 10.022 ( 7.767 13.452 2.431) 15.723 11.773 ( -15.148 -26.238 2.842) 30.430 13.106 ( 4.137 7.166 3.433) 8.958 13.886 ( -5.059 -8.763 -0.781) 10.149 14.993 ( 7.630 13.215 0.739) 15.277 16.486 ( 2.694 4.666 -0.752) 5.440 17.219 ( -4.829 -8.364 -0.416) 9.666 17.914 ( 5.771 9.996 -0.430) 11.550 18.440 ( -1.745 -3.022 8.943) 9.599 18.654 ( -3.313 -5.737 7.794) 10.229 19.153 ( 2.876 4.982 -6.629) 8.777 19.767 ( -3.597 -6.230 -2.273) 7.544 21.349 ( 0.395 0.685 -1.471) 1.670 21.372 ( 0.545 0.943 -2.526) 2.751 21.915 ( 0.224 0.388 -5.910) 5.927 ======================= Grid point 729 (142/143) ======================= q-point: (-0.33 0.58 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.638 ( 1.655 8.577 7.770) 11.691 2.987 ( -2.535 -7.811 8.899) 12.109 4.113 ( 15.415 31.512 0.444) 35.083 4.371 ( 0.688 3.985 -3.768) 5.527 4.632 ( -19.153 3.691 -2.876) 19.716 5.377 ( 7.132 -9.325 -1.944) 11.899 7.162 ( -7.474 0.558 -5.712) 9.423 7.290 ( -9.432 4.247 -5.166) 11.563 7.920 ( 9.071 -14.698 -1.520) 17.339 8.132 ( -1.434 -3.999 -1.475) 4.497 8.391 ( 4.003 -9.811 2.293) 10.841 10.110 ( -10.402 23.761 2.577) 26.066 10.571 ( 29.510 7.069 3.336) 30.527 11.226 ( -17.856 -25.255 3.022) 31.077 13.201 ( 0.195 4.570 4.284) 6.267 13.767 ( -0.388 -5.604 -0.969) 5.700 15.190 ( 2.575 6.860 1.004) 7.395 16.554 ( -5.655 13.791 -0.878) 14.931 17.089 ( 2.286 -11.902 0.063) 12.120 18.095 ( 3.187 10.671 1.766) 11.276 18.301 ( -11.077 2.882 5.528) 12.711 18.629 ( 9.143 -14.660 9.292) 19.618 19.228 ( -4.034 11.430 -6.078) 13.560 19.666 ( 2.092 -10.124 -1.581) 10.458 21.359 ( -0.098 0.800 -2.000) 2.156 21.386 ( 0.682 -0.337 -2.558) 2.668 21.920 ( 0.312 -0.310 -7.591) 7.604 ======================= Grid point 742 (143/143) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 143 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( -4.578 -7.929 8.949) 12.803 2.814 ( 4.578 7.930 8.949) 12.803 4.403 ( 0.000 0.000 -4.705) 4.705 4.585 ( -6.010 -10.410 -1.615) 12.128 4.585 ( 6.010 10.410 -1.615) 12.128 5.240 ( -0.000 -0.000 -0.231) 0.231 7.128 ( 0.000 0.000 -5.299) 5.299 7.527 ( -8.726 -15.114 -6.137) 18.499 7.527 ( 8.726 15.114 -6.137) 18.499 8.229 ( -3.613 -6.259 2.085) 7.522 8.229 ( 3.613 6.259 2.085) 7.522 10.445 ( 0.000 0.000 4.607) 4.607 10.759 ( -9.183 -15.906 2.660) 18.558 10.759 ( 9.183 15.906 2.660) 18.558 13.247 ( 0.000 0.000 4.752) 4.752 13.711 ( 0.000 0.000 -1.123) 1.123 15.259 ( 0.000 0.000 1.148) 1.148 16.831 ( -6.971 -12.074 -0.589) 13.955 16.831 ( 6.971 12.074 -0.589) 13.955 18.254 ( -0.000 -0.000 5.037) 5.037 18.378 ( -4.236 -7.337 5.330) 10.009 18.378 ( 4.236 7.337 5.330) 10.009 19.454 ( -5.610 -9.716 -2.864) 11.579 19.454 ( 5.610 9.716 -2.864) 11.579 21.375 ( -0.376 -0.652 -2.354) 2.472 21.375 ( 0.376 0.652 -2.354) 2.472 21.917 ( 0.000 0.000 -8.317) 8.317 =================== 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 3/34992 10.0 3939.531 3939.531 1489.327 0.000 0.000 -0.000 3/34992 20.0 731.280 731.280 471.274 0.000 0.000 -0.000 3/34992 30.0 266.562 266.562 168.480 0.000 0.000 -0.000 3/34992 40.0 157.801 157.801 90.622 0.000 0.000 -0.000 3/34992 50.0 112.306 112.306 59.378 0.000 0.000 -0.000 3/34992 60.0 87.027 87.027 43.310 0.000 0.000 -0.000 3/34992 70.0 71.075 71.075 33.766 0.000 0.000 -0.000 3/34992 80.0 60.208 60.208 27.538 0.000 0.000 -0.000 3/34992 90.0 52.359 52.359 23.192 0.000 0.000 -0.000 3/34992 100.0 46.411 46.411 20.005 0.000 0.000 -0.000 3/34992 110.0 41.722 41.722 17.576 0.000 0.000 -0.000 3/34992 120.0 37.911 37.911 15.668 0.000 0.000 -0.000 3/34992 130.0 34.738 34.738 14.132 0.000 0.000 -0.000 3/34992 140.0 32.047 32.047 12.871 0.000 0.000 -0.000 3/34992 150.0 29.735 29.735 11.818 0.000 0.000 -0.000 3/34992 160.0 27.725 27.725 10.926 0.000 0.000 -0.000 3/34992 170.0 25.962 25.962 10.162 0.000 0.000 -0.000 3/34992 180.0 24.404 24.404 9.501 0.000 0.000 -0.000 3/34992 190.0 23.018 23.018 8.922 0.000 0.000 -0.000 3/34992 200.0 21.778 21.778 8.413 0.000 0.000 -0.000 3/34992 210.0 20.662 20.662 7.960 0.000 0.000 -0.000 3/34992 220.0 19.654 19.654 7.555 0.000 0.000 -0.000 3/34992 230.0 18.739 18.739 7.191 0.000 0.000 -0.000 3/34992 240.0 17.905 17.905 6.862 0.000 0.000 -0.000 3/34992 250.0 17.142 17.142 6.563 0.000 0.000 -0.000 3/34992 260.0 16.441 16.441 6.290 0.000 0.000 -0.000 3/34992 270.0 15.796 15.796 6.039 0.000 0.000 -0.000 3/34992 280.0 15.200 15.200 5.809 0.000 0.000 -0.000 3/34992 290.0 14.647 14.647 5.596 0.000 0.000 -0.000 3/34992 300.0 14.133 14.133 5.399 0.000 0.000 -0.000 3/34992 310.0 13.655 13.655 5.215 0.000 0.000 -0.000 3/34992 320.0 13.208 13.208 5.044 0.000 0.000 -0.000 3/34992 330.0 12.790 12.790 4.885 0.000 0.000 -0.000 3/34992 340.0 12.397 12.397 4.735 0.000 0.000 -0.000 3/34992 350.0 12.029 12.029 4.594 0.000 0.000 -0.000 3/34992 360.0 11.681 11.681 4.462 0.000 0.000 -0.000 3/34992 370.0 11.354 11.354 4.338 0.000 0.000 -0.000 3/34992 380.0 11.045 11.045 4.220 0.000 0.000 -0.000 3/34992 390.0 10.752 10.752 4.109 0.000 0.000 -0.000 3/34992 400.0 10.474 10.474 4.003 0.000 0.000 -0.000 3/34992 410.0 10.211 10.211 3.903 0.000 0.000 -0.000 3/34992 420.0 9.961 9.961 3.808 0.000 0.000 -0.000 3/34992 430.0 9.723 9.723 3.718 0.000 0.000 -0.000 3/34992 440.0 9.496 9.496 3.632 0.000 0.000 -0.000 3/34992 450.0 9.279 9.279 3.549 0.000 0.000 -0.000 3/34992 460.0 9.073 9.073 3.471 0.000 0.000 -0.000 3/34992 470.0 8.875 8.875 3.396 0.000 0.000 -0.000 3/34992 480.0 8.686 8.686 3.324 0.000 0.000 -0.000 3/34992 490.0 8.505 8.505 3.255 0.000 0.000 -0.000 3/34992 500.0 8.331 8.331 3.189 0.000 0.000 -0.000 3/34992 510.0 8.165 8.165 3.126 0.000 0.000 -0.000 3/34992 520.0 8.004 8.004 3.065 0.000 0.000 -0.000 3/34992 530.0 7.851 7.851 3.007 0.000 0.000 -0.000 3/34992 540.0 7.703 7.703 2.950 0.000 0.000 -0.000 3/34992 550.0 7.560 7.560 2.896 0.000 0.000 -0.000 3/34992 560.0 7.423 7.423 2.844 0.000 0.000 -0.000 3/34992 570.0 7.291 7.291 2.794 0.000 0.000 -0.000 3/34992 580.0 7.163 7.163 2.745 0.000 0.000 -0.000 3/34992 590.0 7.040 7.040 2.698 0.000 0.000 -0.000 3/34992 600.0 6.921 6.921 2.653 0.000 0.000 -0.000 3/34992 610.0 6.806 6.806 2.609 0.000 0.000 -0.000 3/34992 620.0 6.695 6.695 2.567 0.000 0.000 -0.000 3/34992 630.0 6.587 6.587 2.526 0.000 0.000 -0.000 3/34992 640.0 6.483 6.483 2.486 0.000 0.000 -0.000 3/34992 650.0 6.382 6.382 2.447 0.000 0.000 -0.000 3/34992 660.0 6.284 6.284 2.410 0.000 0.000 -0.000 3/34992 670.0 6.189 6.189 2.374 0.000 0.000 -0.000 3/34992 680.0 6.097 6.097 2.339 0.000 0.000 -0.000 3/34992 690.0 6.008 6.008 2.305 0.000 0.000 -0.000 3/34992 700.0 5.921 5.921 2.272 0.000 0.000 -0.000 3/34992 710.0 5.837 5.837 2.240 0.000 0.000 -0.000 3/34992 720.0 5.755 5.755 2.208 0.000 0.000 -0.000 3/34992 730.0 5.675 5.675 2.178 0.000 0.000 -0.000 3/34992 740.0 5.598 5.598 2.148 0.000 0.000 -0.000 3/34992 750.0 5.523 5.523 2.120 0.000 0.000 -0.000 3/34992 760.0 5.449 5.449 2.092 0.000 0.000 -0.000 3/34992 770.0 5.378 5.378 2.064 0.000 0.000 -0.000 3/34992 780.0 5.309 5.309 2.038 0.000 0.000 -0.000 3/34992 790.0 5.241 5.241 2.012 0.000 0.000 -0.000 3/34992 800.0 5.175 5.175 1.987 0.000 0.000 -0.000 3/34992 810.0 5.110 5.110 1.962 0.000 0.000 -0.000 3/34992 820.0 5.048 5.048 1.938 0.000 0.000 -0.000 3/34992 830.0 4.986 4.986 1.915 0.000 0.000 -0.000 3/34992 840.0 4.927 4.927 1.892 0.000 0.000 -0.000 3/34992 850.0 4.868 4.868 1.870 0.000 0.000 -0.000 3/34992 860.0 4.811 4.811 1.848 0.000 0.000 -0.000 3/34992 870.0 4.756 4.756 1.826 0.000 0.000 -0.000 3/34992 880.0 4.701 4.701 1.806 0.000 0.000 -0.000 3/34992 890.0 4.648 4.648 1.785 0.000 0.000 -0.000 3/34992 900.0 4.596 4.596 1.765 0.000 0.000 -0.000 3/34992 910.0 4.545 4.545 1.746 0.000 0.000 -0.000 3/34992 920.0 4.496 4.496 1.727 0.000 0.000 -0.000 3/34992 930.0 4.447 4.447 1.708 0.000 0.000 -0.000 3/34992 940.0 4.399 4.399 1.690 0.000 0.000 -0.000 3/34992 950.0 4.353 4.353 1.672 0.000 0.000 -0.000 3/34992 960.0 4.307 4.307 1.655 0.000 0.000 -0.000 3/34992 970.0 4.263 4.263 1.638 0.000 0.000 -0.000 3/34992 980.0 4.219 4.219 1.621 0.000 0.000 -0.000 3/34992 990.0 4.176 4.176 1.605 0.000 0.000 -0.000 3/34992 1000.0 4.134 4.134 1.589 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m12129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:19:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|