----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:54:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 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 5.334143500679120 0.000000000000000 0.000000000000000 b -2.667071750339560 4.619503779019774 0.000000000000000 c 0.000000000000000 0.000000000000000 5.365288500000000 Atomic positions (fractional): *1 O 0.37841366671521 0.37841366671521 0.70806625055120 15.999 2 O 0.62158633328479 0.00000000000000 0.70806625055120 15.999 3 O 0.00000000000000 0.62158633328479 0.70806625055120 15.999 4 O 0.37841366671521 0.00000000000000 0.29193374944880 15.999 5 O 0.00000000000000 0.37841366671521 0.29193374944880 15.999 6 O 0.62158633328479 0.62158633328479 0.29193374944880 15.999 *7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 *9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.334143500679120 0.000000000000000 0.000000000000000 b -2.667071750339560 4.619503779019774 0.000000000000000 c 0.000000000000000 0.000000000000000 5.365288500000000 Atomic positions (fractional): *1 O 0.37841366671521 0.37841366671521 0.70806625055120 15.999 > 1 2 O 0.62158633328479 0.00000000000000 0.70806625055120 15.999 > 2 3 O 0.00000000000000 0.62158633328479 0.70806625055120 15.999 > 3 4 O 0.37841366671521 0.00000000000000 0.29193374944880 15.999 > 4 5 O 0.00000000000000 0.37841366671521 0.29193374944880 15.999 > 5 6 O 0.62158633328479 0.62158633328479 0.29193374944880 15.999 > 6 *7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 > 7 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 > 8 *9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.668287001358239 0.000000000000000 0.000000000000000 b -5.334143500679120 9.239007558039548 0.000000000000000 c 0.000000000000000 0.000000000000000 10.730577000000000 Atomic positions (fractional): *1 O 0.18920683335760 0.18920683335760 0.35403312527560 15.999 > 1 2 O 0.68920683335760 0.18920683335760 0.35403312527560 15.999 > 1 3 O 0.18920683335760 0.68920683335760 0.35403312527560 15.999 > 1 4 O 0.68920683335760 0.68920683335760 0.35403312527560 15.999 > 1 5 O 0.18920683335760 0.18920683335760 0.85403312527560 15.999 > 1 6 O 0.68920683335760 0.18920683335760 0.85403312527560 15.999 > 1 7 O 0.18920683335760 0.68920683335760 0.85403312527560 15.999 > 1 8 O 0.68920683335760 0.68920683335760 0.85403312527560 15.999 > 1 9 O 0.31079316664240 0.00000000000000 0.35403312527560 15.999 > 2 10 O 0.81079316664240 0.00000000000000 0.35403312527560 15.999 > 2 11 O 0.31079316664240 0.50000000000000 0.35403312527560 15.999 > 2 12 O 0.81079316664240 0.50000000000000 0.35403312527560 15.999 > 2 13 O 0.31079316664240 0.00000000000000 0.85403312527560 15.999 > 2 14 O 0.81079316664240 0.00000000000000 0.85403312527560 15.999 > 2 15 O 0.31079316664240 0.50000000000000 0.85403312527560 15.999 > 2 16 O 0.81079316664240 0.50000000000000 0.85403312527560 15.999 > 2 17 O 0.00000000000000 0.31079316664240 0.35403312527560 15.999 > 3 18 O 0.50000000000000 0.31079316664240 0.35403312527560 15.999 > 3 19 O 0.00000000000000 0.81079316664240 0.35403312527560 15.999 > 3 20 O 0.50000000000000 0.81079316664240 0.35403312527560 15.999 > 3 21 O 0.00000000000000 0.31079316664240 0.85403312527560 15.999 > 3 22 O 0.50000000000000 0.31079316664240 0.85403312527560 15.999 > 3 23 O 0.00000000000000 0.81079316664240 0.85403312527560 15.999 > 3 24 O 0.50000000000000 0.81079316664240 0.85403312527560 15.999 > 3 25 O 0.18920683335760 0.00000000000000 0.14596687472440 15.999 > 4 26 O 0.68920683335760 0.00000000000000 0.14596687472440 15.999 > 4 27 O 0.18920683335760 0.50000000000000 0.14596687472440 15.999 > 4 28 O 0.68920683335760 0.50000000000000 0.14596687472440 15.999 > 4 29 O 0.18920683335760 0.00000000000000 0.64596687472440 15.999 > 4 30 O 0.68920683335760 0.00000000000000 0.64596687472440 15.999 > 4 31 O 0.18920683335760 0.50000000000000 0.64596687472440 15.999 > 4 32 O 0.68920683335760 0.50000000000000 0.64596687472440 15.999 > 4 33 O 0.00000000000000 0.18920683335760 0.14596687472440 15.999 > 5 34 O 0.50000000000000 0.18920683335760 0.14596687472440 15.999 > 5 35 O 0.00000000000000 0.68920683335760 0.14596687472440 15.999 > 5 36 O 0.50000000000000 0.68920683335760 0.14596687472440 15.999 > 5 37 O 0.00000000000000 0.18920683335760 0.64596687472440 15.999 > 5 38 O 0.50000000000000 0.18920683335760 0.64596687472440 15.999 > 5 39 O 0.00000000000000 0.68920683335760 0.64596687472440 15.999 > 5 40 O 0.50000000000000 0.68920683335760 0.64596687472440 15.999 > 5 41 O 0.31079316664240 0.31079316664240 0.14596687472440 15.999 > 6 42 O 0.81079316664240 0.31079316664240 0.14596687472440 15.999 > 6 43 O 0.31079316664240 0.81079316664240 0.14596687472440 15.999 > 6 44 O 0.81079316664240 0.81079316664240 0.14596687472440 15.999 > 6 45 O 0.31079316664240 0.31079316664240 0.64596687472440 15.999 > 6 46 O 0.81079316664240 0.31079316664240 0.64596687472440 15.999 > 6 47 O 0.31079316664240 0.81079316664240 0.64596687472440 15.999 > 6 48 O 0.81079316664240 0.81079316664240 0.64596687472440 15.999 > 6 *49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 7 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 7 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 7 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 7 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 7 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 7 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 7 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 7 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 8 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 8 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 8 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 8 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 8 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 8 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 8 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 8 *65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 9 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 9 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 9 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 9 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 9 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 9 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 9 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5826663 -0.0000000 0.0000000 0.0000000 4.5826663 0.0000000 0.0000000 0.0000000 4.4180203 -------------------------- Born effective charges -------------------------- 1 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 2 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 3 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 4 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 5 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 6 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 7 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 8 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 9 Pb 3.2282785 -0.0000000 0.0000000 0.0000000 3.2282785 0.0000000 -0.0000000 0.0000000 4.2637741 ---------------------------------------------------------------------------- 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: 176 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): 0.004 Solver_block: 100 / 160 - Time: 0.145 Solver_block: 160 / 160 - Time: 0.095 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.246 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) 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: 176 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 04:54:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:54]------------------------- 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 5.334143500679120 0.000000000000000 0.000000000000000 b -2.667071750339560 4.619503779019774 0.000000000000000 c 0.000000000000000 0.000000000000000 5.365288500000000 Atomic positions (fractional): 1 O 0.37841366671521 0.37841366671521 0.70806625055120 15.999 2 O 0.62158633328479 0.00000000000000 0.70806625055120 15.999 3 O 0.00000000000000 0.62158633328479 0.70806625055120 15.999 4 O 0.37841366671521 0.00000000000000 0.29193374944880 15.999 5 O 0.00000000000000 0.37841366671521 0.29193374944880 15.999 6 O 0.62158633328479 0.62158633328479 0.29193374944880 15.999 7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.668287001358239 0.000000000000000 0.000000000000000 b -5.334143500679120 9.239007558039548 0.000000000000000 c 0.000000000000000 0.000000000000000 10.730577000000000 Atomic positions (fractional): 1 O 0.18920683335760 0.18920683335760 0.35403312527560 15.999 > 1 2 O 0.68920683335760 0.18920683335760 0.35403312527560 15.999 > 1 3 O 0.18920683335760 0.68920683335760 0.35403312527560 15.999 > 1 4 O 0.68920683335760 0.68920683335760 0.35403312527560 15.999 > 1 5 O 0.18920683335760 0.18920683335760 0.85403312527560 15.999 > 1 6 O 0.68920683335760 0.18920683335760 0.85403312527560 15.999 > 1 7 O 0.18920683335760 0.68920683335760 0.85403312527560 15.999 > 1 8 O 0.68920683335760 0.68920683335760 0.85403312527560 15.999 > 1 9 O 0.31079316664240 0.00000000000000 0.35403312527560 15.999 > 9 10 O 0.81079316664240 0.00000000000000 0.35403312527560 15.999 > 9 11 O 0.31079316664240 0.50000000000000 0.35403312527560 15.999 > 9 12 O 0.81079316664240 0.50000000000000 0.35403312527560 15.999 > 9 13 O 0.31079316664240 0.00000000000000 0.85403312527560 15.999 > 9 14 O 0.81079316664240 0.00000000000000 0.85403312527560 15.999 > 9 15 O 0.31079316664240 0.50000000000000 0.85403312527560 15.999 > 9 16 O 0.81079316664240 0.50000000000000 0.85403312527560 15.999 > 9 17 O 0.00000000000000 0.31079316664240 0.35403312527560 15.999 > 17 18 O 0.50000000000000 0.31079316664240 0.35403312527560 15.999 > 17 19 O 0.00000000000000 0.81079316664240 0.35403312527560 15.999 > 17 20 O 0.50000000000000 0.81079316664240 0.35403312527560 15.999 > 17 21 O 0.00000000000000 0.31079316664240 0.85403312527560 15.999 > 17 22 O 0.50000000000000 0.31079316664240 0.85403312527560 15.999 > 17 23 O 0.00000000000000 0.81079316664240 0.85403312527560 15.999 > 17 24 O 0.50000000000000 0.81079316664240 0.85403312527560 15.999 > 17 25 O 0.18920683335760 0.00000000000000 0.14596687472440 15.999 > 25 26 O 0.68920683335760 0.00000000000000 0.14596687472440 15.999 > 25 27 O 0.18920683335760 0.50000000000000 0.14596687472440 15.999 > 25 28 O 0.68920683335760 0.50000000000000 0.14596687472440 15.999 > 25 29 O 0.18920683335760 0.00000000000000 0.64596687472440 15.999 > 25 30 O 0.68920683335760 0.00000000000000 0.64596687472440 15.999 > 25 31 O 0.18920683335760 0.50000000000000 0.64596687472440 15.999 > 25 32 O 0.68920683335760 0.50000000000000 0.64596687472440 15.999 > 25 33 O 0.00000000000000 0.18920683335760 0.14596687472440 15.999 > 33 34 O 0.50000000000000 0.18920683335760 0.14596687472440 15.999 > 33 35 O 0.00000000000000 0.68920683335760 0.14596687472440 15.999 > 33 36 O 0.50000000000000 0.68920683335760 0.14596687472440 15.999 > 33 37 O 0.00000000000000 0.18920683335760 0.64596687472440 15.999 > 33 38 O 0.50000000000000 0.18920683335760 0.64596687472440 15.999 > 33 39 O 0.00000000000000 0.68920683335760 0.64596687472440 15.999 > 33 40 O 0.50000000000000 0.68920683335760 0.64596687472440 15.999 > 33 41 O 0.31079316664240 0.31079316664240 0.14596687472440 15.999 > 41 42 O 0.81079316664240 0.31079316664240 0.14596687472440 15.999 > 41 43 O 0.31079316664240 0.81079316664240 0.14596687472440 15.999 > 41 44 O 0.81079316664240 0.81079316664240 0.14596687472440 15.999 > 41 45 O 0.31079316664240 0.31079316664240 0.64596687472440 15.999 > 41 46 O 0.81079316664240 0.31079316664240 0.64596687472440 15.999 > 41 47 O 0.31079316664240 0.81079316664240 0.64596687472440 15.999 > 41 48 O 0.81079316664240 0.81079316664240 0.64596687472440 15.999 > 41 49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 49 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 49 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 49 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 49 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 49 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 49 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 49 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 65 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 65 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 65 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5826663 -0.0000000 0.0000000 0.0000000 4.5826663 0.0000000 0.0000000 0.0000000 4.4180203 -------------------------- Born effective charges -------------------------- 1 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 2 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 3 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 4 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 5 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 6 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 7 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 8 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 9 Pb 3.2282785 -0.0000000 0.0000000 0.0000000 3.2282785 0.0000000 -0.0000000 0.0000000 4.2637741 ---------------------------------------------------------------------------- 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000079 (yzy) -0.00000079 (yzy) -0.00000079 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000152 (xz) -0.00000152 (xz) 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 04:54:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:54:58]------------------------- 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 5.334143500679120 0.000000000000000 0.000000000000000 b -2.667071750339560 4.619503779019774 0.000000000000000 c 0.000000000000000 0.000000000000000 5.365288500000000 Atomic positions (fractional): 1 O 0.37841366671521 0.37841366671521 0.70806625055120 15.999 2 O 0.62158633328479 0.00000000000000 0.70806625055120 15.999 3 O 0.00000000000000 0.62158633328479 0.70806625055120 15.999 4 O 0.37841366671521 0.00000000000000 0.29193374944880 15.999 5 O 0.00000000000000 0.37841366671521 0.29193374944880 15.999 6 O 0.62158633328479 0.62158633328479 0.29193374944880 15.999 7 Sb 0.66666666666667 0.33333333333333 0.50000000000000 121.760 8 Sb 0.33333333333333 0.66666666666667 0.50000000000000 121.760 9 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.668287001358239 0.000000000000000 0.000000000000000 b -5.334143500679120 9.239007558039548 0.000000000000000 c 0.000000000000000 0.000000000000000 10.730577000000000 Atomic positions (fractional): 1 O 0.18920683335760 0.18920683335760 0.35403312527560 15.999 > 1 2 O 0.68920683335760 0.18920683335760 0.35403312527560 15.999 > 1 3 O 0.18920683335760 0.68920683335760 0.35403312527560 15.999 > 1 4 O 0.68920683335760 0.68920683335760 0.35403312527560 15.999 > 1 5 O 0.18920683335760 0.18920683335760 0.85403312527560 15.999 > 1 6 O 0.68920683335760 0.18920683335760 0.85403312527560 15.999 > 1 7 O 0.18920683335760 0.68920683335760 0.85403312527560 15.999 > 1 8 O 0.68920683335760 0.68920683335760 0.85403312527560 15.999 > 1 9 O 0.31079316664240 0.00000000000000 0.35403312527560 15.999 > 9 10 O 0.81079316664240 0.00000000000000 0.35403312527560 15.999 > 9 11 O 0.31079316664240 0.50000000000000 0.35403312527560 15.999 > 9 12 O 0.81079316664240 0.50000000000000 0.35403312527560 15.999 > 9 13 O 0.31079316664240 0.00000000000000 0.85403312527560 15.999 > 9 14 O 0.81079316664240 0.00000000000000 0.85403312527560 15.999 > 9 15 O 0.31079316664240 0.50000000000000 0.85403312527560 15.999 > 9 16 O 0.81079316664240 0.50000000000000 0.85403312527560 15.999 > 9 17 O 0.00000000000000 0.31079316664240 0.35403312527560 15.999 > 17 18 O 0.50000000000000 0.31079316664240 0.35403312527560 15.999 > 17 19 O 0.00000000000000 0.81079316664240 0.35403312527560 15.999 > 17 20 O 0.50000000000000 0.81079316664240 0.35403312527560 15.999 > 17 21 O 0.00000000000000 0.31079316664240 0.85403312527560 15.999 > 17 22 O 0.50000000000000 0.31079316664240 0.85403312527560 15.999 > 17 23 O 0.00000000000000 0.81079316664240 0.85403312527560 15.999 > 17 24 O 0.50000000000000 0.81079316664240 0.85403312527560 15.999 > 17 25 O 0.18920683335760 0.00000000000000 0.14596687472440 15.999 > 25 26 O 0.68920683335760 0.00000000000000 0.14596687472440 15.999 > 25 27 O 0.18920683335760 0.50000000000000 0.14596687472440 15.999 > 25 28 O 0.68920683335760 0.50000000000000 0.14596687472440 15.999 > 25 29 O 0.18920683335760 0.00000000000000 0.64596687472440 15.999 > 25 30 O 0.68920683335760 0.00000000000000 0.64596687472440 15.999 > 25 31 O 0.18920683335760 0.50000000000000 0.64596687472440 15.999 > 25 32 O 0.68920683335760 0.50000000000000 0.64596687472440 15.999 > 25 33 O 0.00000000000000 0.18920683335760 0.14596687472440 15.999 > 33 34 O 0.50000000000000 0.18920683335760 0.14596687472440 15.999 > 33 35 O 0.00000000000000 0.68920683335760 0.14596687472440 15.999 > 33 36 O 0.50000000000000 0.68920683335760 0.14596687472440 15.999 > 33 37 O 0.00000000000000 0.18920683335760 0.64596687472440 15.999 > 33 38 O 0.50000000000000 0.18920683335760 0.64596687472440 15.999 > 33 39 O 0.00000000000000 0.68920683335760 0.64596687472440 15.999 > 33 40 O 0.50000000000000 0.68920683335760 0.64596687472440 15.999 > 33 41 O 0.31079316664240 0.31079316664240 0.14596687472440 15.999 > 41 42 O 0.81079316664240 0.31079316664240 0.14596687472440 15.999 > 41 43 O 0.31079316664240 0.81079316664240 0.14596687472440 15.999 > 41 44 O 0.81079316664240 0.81079316664240 0.14596687472440 15.999 > 41 45 O 0.31079316664240 0.31079316664240 0.64596687472440 15.999 > 41 46 O 0.81079316664240 0.31079316664240 0.64596687472440 15.999 > 41 47 O 0.31079316664240 0.81079316664240 0.64596687472440 15.999 > 41 48 O 0.81079316664240 0.81079316664240 0.64596687472440 15.999 > 41 49 Sb 0.33333333333333 0.16666666666667 0.25000000000000 121.760 > 49 50 Sb 0.83333333333333 0.16666666666667 0.25000000000000 121.760 > 49 51 Sb 0.33333333333333 0.66666666666667 0.25000000000000 121.760 > 49 52 Sb 0.83333333333333 0.66666666666667 0.25000000000000 121.760 > 49 53 Sb 0.33333333333333 0.16666666666667 0.75000000000000 121.760 > 49 54 Sb 0.83333333333333 0.16666666666667 0.75000000000000 121.760 > 49 55 Sb 0.33333333333333 0.66666666666667 0.75000000000000 121.760 > 49 56 Sb 0.83333333333333 0.66666666666667 0.75000000000000 121.760 > 49 57 Sb 0.16666666666667 0.33333333333333 0.25000000000000 121.760 > 57 58 Sb 0.66666666666667 0.33333333333333 0.25000000000000 121.760 > 57 59 Sb 0.16666666666667 0.83333333333333 0.25000000000000 121.760 > 57 60 Sb 0.66666666666667 0.83333333333333 0.25000000000000 121.760 > 57 61 Sb 0.16666666666667 0.33333333333333 0.75000000000000 121.760 > 57 62 Sb 0.66666666666667 0.33333333333333 0.75000000000000 121.760 > 57 63 Sb 0.16666666666667 0.83333333333333 0.75000000000000 121.760 > 57 64 Sb 0.66666666666667 0.83333333333333 0.75000000000000 121.760 > 57 65 Pb 0.00000000000000 0.00000000000000 0.00000000000000 207.200 > 65 66 Pb 0.50000000000000 0.00000000000000 0.00000000000000 207.200 > 65 67 Pb 0.00000000000000 0.50000000000000 0.00000000000000 207.200 > 65 68 Pb 0.50000000000000 0.50000000000000 0.00000000000000 207.200 > 65 69 Pb 0.00000000000000 0.00000000000000 0.50000000000000 207.200 > 65 70 Pb 0.50000000000000 0.00000000000000 0.50000000000000 207.200 > 65 71 Pb 0.00000000000000 0.50000000000000 0.50000000000000 207.200 > 65 72 Pb 0.50000000000000 0.50000000000000 0.50000000000000 207.200 > 65 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5826663 -0.0000000 0.0000000 0.0000000 4.5826663 0.0000000 0.0000000 0.0000000 4.4180203 -------------------------- Born effective charges -------------------------- 1 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 2 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 3 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 4 O -2.0202893 0.0000000 -0.8354863 0.0000000 -2.3883444 0.0000000 -0.7807334 -0.0000000 -1.8809219 5 O -2.2963306 -0.1593725 0.4177432 -0.1593725 -2.1123031 -0.7235524 0.3903667 -0.6761350 -1.8809219 6 O -2.2963306 0.1593725 0.4177432 0.1593725 -2.1123031 0.7235524 0.3903667 0.6761350 -1.8809219 7 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 8 Sb 4.9988113 -0.0000000 0.0000000 0.0000000 4.9988113 0.0000000 -0.0000000 0.0000000 3.5108786 9 Pb 3.2282785 -0.0000000 0.0000000 0.0000000 3.2282785 0.0000000 -0.0000000 0.0000000 4.2637741 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000079 (yzy) -0.00000079 (yzy) -0.00000079 (yyz) 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 ... [ 11 11 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: 0.82, Number of G-points: 315, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/120) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 5.908 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 8.316 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 14.980 ( 0.000 0.000 0.000) 0.000 15.830 ( 0.000 0.000 0.000) 0.000 15.938 ( 0.000 0.000 0.000) 0.000 15.938 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 18.844 ( 0.000 0.000 0.000) 0.000 19.023 ( 0.000 0.000 0.000) 0.000 19.023 ( 0.000 0.000 0.000) 0.000 19.196 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/120) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 17.421 10.058 0.000) 20.116 0.565 ( 24.349 14.058 0.000) 28.116 1.119 ( 46.227 26.689 0.000) 53.378 2.272 ( -1.498 -0.865 0.000) 1.730 2.467 ( -1.137 -0.657 0.000) 1.313 2.900 ( 3.369 1.945 0.000) 3.890 4.157 ( -2.358 -1.362 0.000) 2.723 5.798 ( -8.185 -4.725 0.000) 9.451 5.923 ( 1.371 0.791 0.000) 1.583 6.913 ( 6.023 3.477 0.000) 6.955 8.244 ( -6.146 -3.548 0.000) 7.096 8.412 ( -3.022 -1.745 0.000) 3.489 8.975 ( -9.972 -5.757 0.000) 11.514 9.143 ( 4.050 2.339 0.000) 4.677 9.472 ( 5.997 3.462 0.000) 6.925 14.152 ( 5.583 3.223 0.000) 6.447 14.899 ( -0.682 -0.394 0.000) 0.787 15.012 ( 2.702 1.560 0.000) 3.120 15.073 ( 8.321 4.804 0.000) 9.608 15.843 ( 0.757 0.437 0.000) 0.874 15.940 ( 0.750 0.433 0.000) 0.866 17.509 ( -1.758 -1.015 0.000) 2.030 18.823 ( -2.157 -1.246 0.000) 2.491 18.989 ( -2.407 -1.390 0.000) 2.779 18.994 ( -2.481 -1.433 0.000) 2.865 19.213 ( 1.100 0.635 0.000) 1.271 19.678 ( -0.595 -0.344 0.000) 0.687 ======================= Grid point 2 (3/120) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 15.874 9.165 0.000) 18.330 1.091 ( 21.463 12.392 0.000) 24.783 1.959 ( 23.314 13.461 0.000) 26.921 2.227 ( -2.354 -1.359 0.000) 2.719 2.442 ( -0.526 -0.304 0.000) 0.608 3.144 ( 22.201 12.818 0.000) 25.635 4.071 ( -5.367 -3.099 0.000) 6.198 5.606 ( -7.629 -4.405 0.000) 8.809 5.974 ( 3.249 1.876 0.000) 3.752 7.050 ( 5.476 3.162 0.000) 6.323 8.048 ( -10.878 -6.280 0.000) 12.560 8.313 ( -5.606 -3.236 0.000) 6.473 8.662 ( -17.256 -9.963 0.000) 19.926 9.265 ( 6.299 3.637 0.000) 7.274 9.641 ( 8.400 4.850 0.000) 9.699 14.323 ( 8.913 5.146 0.000) 10.291 14.875 ( -1.324 -0.764 0.000) 1.528 15.089 ( 3.685 2.127 0.000) 4.255 15.348 ( 15.489 8.943 0.000) 17.885 15.848 ( 0.002 0.001 0.000) 0.002 16.004 ( 5.099 2.944 0.000) 5.888 17.446 ( -3.847 -2.221 0.000) 4.442 18.726 ( -6.689 -3.862 0.000) 7.724 18.913 ( -4.509 -2.603 0.000) 5.207 18.941 ( -1.468 -0.847 0.000) 1.695 19.231 ( 0.298 0.172 0.000) 0.345 19.665 ( -0.390 -0.225 0.000) 0.451 ======================= Grid point 3 (4/120) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 13.817 7.977 0.000) 15.954 1.513 ( 14.933 8.621 0.000) 17.243 2.164 ( -3.334 -1.925 0.000) 3.850 2.177 ( 0.307 0.177 0.000) 0.354 2.480 ( 4.809 2.777 0.000) 5.553 3.902 ( 39.998 23.093 0.000) 46.185 3.910 ( -8.846 -5.107 0.000) 10.214 5.474 ( -3.910 -2.258 0.000) 4.515 6.072 ( 5.278 3.047 0.000) 6.094 7.159 ( 4.284 2.473 0.000) 4.946 7.764 ( -13.769 -7.949 0.000) 15.899 8.162 ( -7.511 -4.337 0.000) 8.673 8.207 ( -22.361 -12.910 0.000) 25.820 9.409 ( 5.971 3.447 0.000) 6.894 9.834 ( 8.230 4.752 0.000) 9.504 14.530 ( 8.645 4.991 0.000) 9.983 14.843 ( -1.360 -0.785 0.000) 1.570 15.160 ( 2.210 1.276 0.000) 2.551 15.755 ( 19.808 11.436 0.000) 22.873 15.870 ( 2.366 1.366 0.000) 2.732 16.164 ( 8.752 5.053 0.000) 10.106 17.332 ( -6.239 -3.602 0.000) 7.204 18.520 ( -11.214 -6.474 0.000) 12.949 18.796 ( -5.556 -3.208 0.000) 6.416 18.921 ( -0.418 -0.242 0.000) 0.483 19.225 ( -0.710 -0.410 0.000) 0.820 19.663 ( 0.218 0.126 0.000) 0.252 ======================= Grid point 4 (5/120) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 11.103 6.410 0.000) 12.820 1.755 ( 6.751 3.898 0.000) 7.795 2.072 ( -4.678 -2.701 0.000) 5.401 2.117 ( -3.947 -2.279 0.000) 4.558 2.681 ( 12.514 7.225 0.000) 14.450 3.671 ( -12.105 -6.989 0.000) 13.977 4.819 ( 39.109 22.580 0.000) 45.159 5.420 ( -1.105 -0.638 0.000) 1.276 6.199 ( 5.047 2.914 0.000) 5.828 7.257 ( 4.465 2.578 0.000) 5.156 7.439 ( -14.387 -8.306 0.000) 16.612 7.676 ( -23.153 -13.367 0.000) 26.734 7.982 ( -7.988 -4.612 0.000) 9.223 9.523 ( 3.877 2.238 0.000) 4.476 9.998 ( 5.896 3.404 0.000) 6.808 14.695 ( 5.658 3.267 0.000) 6.534 14.816 ( -0.972 -0.561 0.000) 1.122 15.184 ( 0.072 0.041 0.000) 0.083 15.956 ( 4.686 2.705 0.000) 5.411 16.215 ( 19.665 11.353 0.000) 22.707 16.390 ( 10.732 6.196 0.000) 12.392 17.164 ( -8.450 -4.878 0.000) 9.757 18.233 ( -13.393 -7.732 0.000) 15.465 18.674 ( -4.911 -2.835 0.000) 5.670 18.917 ( 0.006 0.003 0.000) 0.007 19.205 ( -0.966 -0.558 0.000) 1.115 19.672 ( 0.423 0.244 0.000) 0.489 ======================= Grid point 5 (6/120) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 5.507 3.179 0.000) 6.359 1.860 ( 3.577 2.065 0.000) 4.130 1.958 ( -5.105 -2.947 0.000) 5.895 2.043 ( -1.957 -1.130 0.000) 2.259 3.004 ( 14.721 8.499 0.000) 16.999 3.369 ( -13.944 -8.050 0.000) 16.101 5.410 ( -0.106 -0.061 0.000) 0.122 5.612 ( 27.911 16.115 0.000) 32.229 6.214 ( -6.200 -3.579 0.000) 7.159 7.154 ( -8.052 -4.649 0.000) 9.298 7.253 ( -11.460 -6.616 0.000) 13.232 7.351 ( 3.042 1.756 0.000) 3.513 7.828 ( -4.491 -2.593 0.000) 5.186 9.582 ( 1.290 0.744 0.000) 1.489 10.091 ( 2.131 1.231 0.000) 2.461 14.782 ( 1.916 1.106 0.000) 2.213 14.801 ( -0.348 -0.201 0.000) 0.402 15.178 ( -0.335 -0.193 0.000) 0.387 16.047 ( 2.468 1.425 0.000) 2.849 16.580 ( 10.172 5.873 0.000) 11.745 16.628 ( 9.112 5.261 0.000) 10.522 16.963 ( -8.214 -4.742 0.000) 9.484 17.968 ( -7.876 -4.547 0.000) 9.094 18.591 ( -2.039 -1.177 0.000) 2.354 18.919 ( 0.063 0.036 0.000) 0.073 19.187 ( -0.437 -0.253 0.000) 0.505 19.679 ( 0.190 0.110 0.000) 0.219 ======================= Grid point 12 (7/120) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 10.603 18.365 1.999) 21.300 0.928 ( 12.754 22.090 6.026) 26.209 1.786 ( 18.290 31.679 -4.130) 36.812 2.250 ( -0.632 -1.095 -1.898) 2.280 2.444 ( -0.806 -1.396 2.735) 3.175 3.026 ( 8.111 14.049 -1.626) 16.304 4.102 ( -2.528 -4.378 -0.214) 5.060 5.659 ( -4.812 -8.335 0.369) 9.631 5.949 ( 1.443 2.500 0.652) 2.959 7.019 ( 3.568 6.180 0.443) 7.150 8.112 ( -5.571 -9.650 -0.261) 11.146 8.298 ( -5.458 -9.454 -2.293) 11.155 8.936 ( -3.397 -5.884 2.630) 7.286 9.064 ( -0.920 -1.593 -0.496) 1.905 9.625 ( 5.913 10.242 -0.929) 11.863 14.276 ( 5.174 8.961 6.009) 11.966 14.880 ( -2.621 -4.540 1.675) 5.503 15.013 ( 3.711 6.428 1.646) 7.603 15.325 ( 8.837 15.306 -4.531) 18.246 15.881 ( 1.601 2.773 2.736) 4.212 15.926 ( -0.381 -0.660 -1.041) 1.290 17.467 ( -1.891 -3.276 -0.344) 3.798 18.758 ( -3.370 -5.837 8.651) 10.967 18.936 ( -1.391 -2.410 -1.509) 3.165 18.956 ( -1.664 -2.883 -5.890) 6.766 19.246 ( 1.125 1.948 0.199) 2.259 19.654 ( -1.020 -1.767 -5.446) 5.816 ======================= Grid point 13 (8/120) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 8.294 18.594 1.062) 20.387 1.357 ( 14.833 13.648 2.503) 20.311 2.147 ( 4.166 4.029 -2.752) 6.416 2.236 ( -2.335 3.118 -0.570) 3.937 2.432 ( 1.825 -0.785 1.906) 2.754 3.564 ( 28.076 29.374 -2.127) 40.689 3.982 ( -5.696 -5.966 -0.446) 8.260 5.512 ( -4.160 -4.693 -0.595) 6.299 6.024 ( 3.766 3.493 0.934) 5.220 7.132 ( 3.272 4.811 1.631) 6.042 7.877 ( -9.857 -10.614 -0.735) 14.504 8.054 ( -6.595 -19.145 -2.538) 20.407 8.673 ( -22.750 6.066 2.382) 23.665 9.157 ( 14.497 -11.358 1.068) 18.447 9.837 ( 5.254 12.407 -0.952) 13.507 14.479 ( 6.646 10.135 6.761) 13.878 14.797 ( -0.518 -5.844 1.549) 6.068 15.171 ( 5.197 7.606 1.874) 9.401 15.651 ( 8.851 18.295 1.851) 20.408 15.883 ( -0.943 3.184 -4.462) 5.562 16.017 ( 9.763 -0.587 1.392) 9.880 17.377 ( -4.082 -4.868 -0.883) 6.414 18.594 ( -6.913 -9.107 14.664) 18.594 18.870 ( -4.881 -1.829 -9.121) 10.505 18.916 ( 0.184 -1.536 -6.231) 6.420 19.268 ( -1.637 2.969 0.368) 3.410 19.623 ( 0.964 -3.775 -5.378) 6.641 ======================= Grid point 14 (9/120) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 6.020 16.287 -0.177) 17.365 1.661 ( 9.523 5.684 -0.757) 11.116 2.141 ( -2.413 -3.511 -0.234) 4.267 2.202 ( -7.287 6.197 -0.115) 9.567 2.551 ( 10.412 4.925 -0.270) 11.521 3.789 ( -9.369 -7.022 -0.653) 11.727 4.410 ( 35.320 27.083 -1.588) 44.537 5.433 ( -1.587 -1.759 -1.327) 2.715 6.138 ( 5.069 3.459 0.981) 6.215 7.230 ( 2.902 4.467 3.239) 6.235 7.578 ( -12.627 -11.136 -1.761) 16.928 7.707 ( -8.888 -22.473 -2.048) 24.253 8.338 ( -23.684 7.739 2.461) 25.037 9.285 ( 14.105 -12.895 1.833) 19.199 10.032 ( 2.894 12.297 -0.626) 12.649 14.655 ( 4.422 2.340 3.927) 6.360 14.765 ( 1.318 0.634 3.313) 3.622 15.303 ( -1.255 11.115 0.615) 11.202 15.848 ( 5.265 0.864 12.593) 13.676 16.091 ( 11.955 16.212 -10.414) 22.676 16.217 ( 13.106 0.945 1.487) 13.224 17.232 ( -6.312 -6.637 -1.420) 9.268 18.357 ( -9.966 -8.990 13.098) 18.754 18.752 ( -6.422 -1.882 -9.738) 11.816 18.913 ( 0.417 -0.330 -7.462) 7.480 19.250 ( -3.281 2.533 -0.464) 4.171 19.617 ( 2.979 -4.609 -3.428) 6.471 ======================= Grid point 15 (10/120) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 3.220 8.997 -0.856) 9.594 1.826 ( 5.207 4.508 -2.187) 7.226 2.047 ( -2.938 -4.312 0.678) 5.262 2.128 ( -9.440 8.379 -1.160) 12.675 2.845 ( 14.239 9.287 -0.691) 17.014 3.527 ( -12.825 -7.326 -0.666) 14.785 5.234 ( 33.433 18.270 -1.513) 38.129 5.411 ( -0.097 -0.246 -1.659) 1.680 6.222 ( 1.104 -1.593 0.613) 2.033 7.220 ( -10.047 -13.496 0.481) 16.832 7.266 ( -4.055 -9.270 3.250) 10.627 7.451 ( -3.945 4.540 -2.517) 6.520 8.040 ( -18.199 5.402 2.253) 19.117 9.373 ( 11.853 -14.418 2.196) 18.794 10.166 ( -0.644 10.666 -0.268) 10.689 14.674 ( 4.482 -8.891 0.370) 9.964 14.842 ( -1.385 9.897 5.891) 11.600 15.347 ( -6.845 12.967 0.147) 14.663 15.962 ( 7.334 -1.092 6.528) 9.879 16.436 ( 12.458 7.765 -3.321) 15.051 16.469 ( 13.465 2.933 6.687) 15.317 17.037 ( -7.704 -7.970 -1.706) 11.215 18.104 ( -10.902 -3.862 5.570) 12.837 18.634 ( -4.665 -1.710 -7.073) 8.644 18.919 ( 0.182 0.387 -7.946) 7.958 19.219 ( -2.564 1.682 -1.687) 3.500 19.626 ( 3.221 -4.595 -1.658) 5.851 ======================= Grid point 16 (11/120) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -1.058 1.833 -0.787) 2.258 1.916 ( -0.687 1.190 -2.314) 2.691 1.989 ( 0.104 -0.181 -1.250) 1.267 2.073 ( -6.986 12.099 0.131) 13.972 3.131 ( 0.171 -0.296 -1.624) 1.660 3.265 ( -1.171 2.028 0.029) 2.342 5.409 ( 0.042 -0.072 -1.915) 1.916 5.751 ( 2.886 -4.999 -1.831) 6.056 6.116 ( 1.733 -3.002 0.275) 3.478 7.048 ( 2.941 -5.094 -0.009) 5.882 7.137 ( 1.828 -3.166 2.700) 4.544 7.499 ( -6.346 10.991 0.142) 12.692 7.885 ( -4.335 7.508 1.931) 8.881 9.404 ( 9.210 -15.952 2.298) 18.562 10.214 ( -4.811 8.332 -0.120) 9.622 14.667 ( 5.419 -9.386 0.018) 10.838 14.879 ( -4.967 8.603 5.907) 11.557 15.349 ( -7.751 13.425 0.313) 15.505 16.028 ( 1.878 -3.252 3.299) 4.999 16.607 ( 1.835 -3.178 12.279) 12.816 16.643 ( 2.581 -4.470 -2.126) 5.583 16.878 ( 1.540 -2.668 -0.860) 3.199 17.976 ( -3.062 5.303 -0.639) 6.156 18.582 ( -0.053 0.091 -5.195) 5.196 18.924 ( -0.287 0.498 -8.089) 8.110 19.204 ( -1.069 1.852 -2.225) 3.086 19.632 ( 2.732 -4.732 -1.007) 5.556 ======================= Grid point 25 (12/120) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 9.819 17.007 -0.797) 19.655 1.580 ( 4.820 8.349 -0.155) 9.642 2.142 ( -2.034 -3.523 0.031) 4.068 2.381 ( 6.104 10.572 -0.294) 12.211 2.414 ( 0.393 0.681 -0.320) 0.849 3.837 ( -5.031 -8.713 -0.824) 10.095 4.227 ( 20.776 35.985 -2.561) 41.631 5.438 ( -1.506 -2.609 -1.884) 3.553 6.110 ( 2.791 4.834 1.536) 5.789 7.231 ( 2.829 4.900 4.225) 7.061 7.644 ( -12.500 -21.650 -2.280) 25.103 7.653 ( -6.622 -11.469 -2.136) 13.414 8.744 ( -2.710 -4.694 2.915) 6.155 8.936 ( -3.035 -5.257 1.811) 6.335 10.073 ( 6.336 10.974 -0.551) 12.684 14.613 ( -0.811 -1.405 3.170) 3.561 14.782 ( 5.090 8.817 7.533) 12.665 15.347 ( 5.429 9.403 5.392) 12.123 15.895 ( -0.302 -0.523 0.268) 0.661 16.002 ( 7.237 12.534 16.495) 21.944 16.096 ( 6.846 11.857 -16.830) 21.695 17.252 ( -4.527 -7.840 -1.919) 9.255 18.395 ( -5.997 -10.387 18.019) 21.646 18.810 ( -2.655 -4.599 -10.341) 11.625 18.903 ( 0.182 0.315 -12.623) 12.628 19.320 ( 0.925 1.602 1.375) 2.304 19.539 ( -2.315 -4.010 -7.411) 8.738 ======================= Grid point 26 (13/120) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -0.084 7.486 -1.917) 7.728 1.768 ( 8.544 8.194 -2.674) 12.136 2.044 ( -3.131 -5.949 0.620) 6.752 2.396 ( -6.969 12.169 -1.706) 14.127 2.693 ( 14.373 9.736 -0.529) 17.368 3.639 ( -8.476 -8.118 -0.957) 11.775 4.924 ( 24.947 24.401 -2.401) 34.979 5.408 ( -0.227 -0.716 -3.011) 3.103 6.186 ( 1.617 0.360 1.537) 2.259 7.228 ( -10.725 -19.572 -1.511) 22.369 7.261 ( -3.105 -4.676 6.134) 8.314 7.526 ( 0.241 4.414 -2.790) 5.227 8.469 ( -23.319 5.187 2.909) 24.066 8.974 ( 14.650 -17.811 3.033) 23.260 10.255 ( 2.766 9.792 0.165) 10.176 14.550 ( 0.254 -6.555 0.671) 6.594 14.984 ( 1.559 14.995 9.865) 18.017 15.518 ( 2.976 9.290 5.609) 11.253 15.875 ( -0.594 2.085 4.517) 5.011 16.238 ( 13.119 2.358 2.955) 13.653 16.365 ( 7.769 10.137 1.144) 12.823 17.071 ( -6.518 -9.661 -2.711) 11.966 18.212 ( -5.984 -4.608 12.011) 14.188 18.697 ( -5.083 -4.137 -10.763) 12.601 18.919 ( 0.695 1.036 -14.766) 14.819 19.308 ( -4.644 3.002 -0.732) 5.578 19.498 ( 3.901 -6.972 -4.755) 9.297 ======================= Grid point 27 (14/120) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.395 3.138 -1.687) 3.585 1.928 ( 2.286 4.354 -3.544) 6.062 1.949 ( -0.512 -5.243 -0.478) 5.289 2.406 ( -9.813 18.283 -1.958) 20.842 3.020 ( 12.605 6.950 -1.931) 14.523 3.398 ( -10.988 -4.983 -0.497) 12.075 5.403 ( 0.555 -0.224 -3.867) 3.913 5.516 ( 21.114 9.898 -2.135) 23.416 6.101 ( -5.773 -10.465 0.486) 11.962 6.977 ( -1.614 -7.188 0.097) 7.367 7.110 ( -3.649 -6.726 3.166) 8.281 7.690 ( 2.117 16.655 1.122) 16.826 8.138 ( -18.581 4.266 3.168) 19.326 9.028 ( 13.117 -19.836 3.427) 24.027 10.353 ( -1.503 7.695 0.657) 7.868 14.509 ( 2.830 -7.022 0.257) 7.575 15.099 ( -5.638 15.347 9.987) 19.159 15.602 ( -4.685 11.093 1.889) 12.189 15.929 ( 4.834 -1.877 5.467) 7.535 16.480 ( 11.679 0.644 -3.622) 12.244 16.513 ( 4.831 -1.539 20.316) 20.939 16.858 ( -5.522 -9.816 -2.620) 11.563 18.120 ( -5.382 5.455 0.168) 7.665 18.586 ( -2.226 -3.645 -8.357) 9.385 18.939 ( -0.149 1.588 -15.745) 15.826 19.259 ( -3.177 2.238 -2.992) 4.905 19.507 ( 4.561 -6.991 -1.917) 8.565 ======================= Grid point 37 (15/120) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 1.263 2.188 -2.460) 3.526 1.918 ( -1.148 -1.988 1.306) 2.641 1.935 ( 1.129 1.956 -5.308) 5.769 2.635 ( 6.285 10.886 -3.074) 12.941 2.906 ( 5.963 10.329 -1.475) 12.018 3.475 ( -4.660 -8.072 -0.565) 9.337 5.357 ( 10.444 18.090 -2.773) 21.071 5.404 ( 0.971 1.681 -4.141) 4.574 6.097 ( -5.929 -10.269 0.824) 11.886 6.956 ( -3.785 -6.556 0.039) 7.571 7.111 ( -4.672 -8.091 3.320) 9.916 7.750 ( 9.052 15.678 1.400) 18.158 8.486 ( -5.179 -8.970 2.632) 10.687 8.657 ( -4.827 -8.361 4.718) 10.745 10.404 ( 3.025 5.240 1.031) 6.138 14.448 ( -2.059 -3.566 0.388) 4.136 15.271 ( 7.211 12.490 10.705) 17.961 15.641 ( 1.952 3.381 9.614) 10.377 15.919 ( 1.076 1.864 0.197) 2.162 16.347 ( 5.086 8.810 -1.070) 10.229 16.464 ( 0.220 0.382 19.289) 19.294 16.858 ( -6.701 -11.607 -3.443) 13.838 18.203 ( 2.002 3.468 2.033) 4.491 18.586 ( -3.973 -6.882 -9.860) 12.664 18.950 ( 1.074 1.860 -19.518) 19.635 19.355 ( -0.043 -0.075 0.443) 0.451 19.370 ( -2.139 -3.705 -5.532) 6.994 ======================= Grid point 38 (16/120) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -1.687 2.922 -1.788) 3.818 1.850 ( 2.459 -4.259 -0.953) 5.010 1.984 ( -0.766 1.326 -4.524) 4.776 2.758 ( -8.826 15.288 -3.191) 17.939 3.028 ( 3.685 -6.382 -3.483) 8.151 3.372 ( -0.858 1.486 0.607) 1.820 5.396 ( 0.187 -0.323 -5.408) 5.421 5.653 ( -2.635 4.565 -1.656) 5.525 5.885 ( 4.986 -8.636 -0.195) 9.974 6.928 ( -0.379 0.656 1.337) 1.537 7.004 ( 2.226 -3.856 2.383) 5.050 8.030 ( -7.946 13.763 2.336) 16.063 8.222 ( -3.622 6.273 3.510) 8.050 8.627 ( 11.072 -19.177 4.649) 22.626 10.457 ( -1.564 2.710 1.384) 3.421 14.413 ( 1.459 -2.527 0.349) 2.939 15.406 ( -8.271 14.325 10.764) 19.735 15.672 ( 3.048 -5.280 7.818) 9.914 15.939 ( -1.675 2.900 0.275) 3.360 16.448 ( 1.697 -2.939 29.366) 29.561 16.505 ( -1.178 2.041 -3.481) 4.204 16.677 ( 4.195 -7.266 -3.255) 8.999 18.276 ( -4.917 8.517 -4.953) 11.011 18.483 ( 3.645 -6.313 -7.837) 10.703 18.973 ( -0.817 1.415 -21.765) 21.827 19.304 ( -1.393 2.413 -2.660) 3.852 19.378 ( 3.063 -5.306 -1.374) 6.279 ======================= Grid point 133 (17/120) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 0.000 23.881) 23.881 0.507 ( 0.000 0.000 23.881) 23.881 0.790 ( 0.000 -0.000 37.353) 37.353 2.277 ( 0.000 0.000 -1.294) 1.294 2.277 ( -0.000 -0.000 -1.294) 1.294 3.903 ( 0.000 -0.000 -2.304) 2.304 4.205 ( 0.000 0.000 1.983) 1.983 5.850 ( 0.000 -0.000 -5.326) 5.326 5.850 ( 0.000 -0.000 -5.326) 5.326 7.032 ( 0.000 -0.000 3.621) 3.621 8.284 ( 0.000 0.000 -3.086) 3.086 8.474 ( 0.000 -0.000 2.467) 2.467 8.474 ( 0.000 -0.000 2.467) 2.467 9.090 ( -0.000 0.000 -0.544) 0.544 9.090 ( 0.000 0.000 -0.544) 0.544 14.229 ( 0.000 0.000 13.216) 13.216 14.229 ( 0.000 -0.000 13.216) 13.216 14.965 ( 0.000 0.000 -1.275) 1.275 14.965 ( 0.000 0.000 -1.275) 1.275 15.949 ( 0.000 0.000 1.016) 1.016 15.949 ( 0.000 -0.000 1.016) 1.016 17.542 ( 0.000 0.000 1.259) 1.259 18.827 ( 0.000 0.000 -1.579) 1.579 18.984 ( -0.000 0.000 -3.749) 3.749 18.984 ( -0.000 0.000 -3.749) 3.749 19.186 ( 0.000 0.000 -0.897) 0.897 19.475 ( 0.000 -0.000 1.157) 1.157 ======================= Grid point 134 (18/120) ======================= q-point: ( 0.09 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 10.812 22.247 12.463) 27.697 0.754 ( 6.966 7.371 24.111) 26.157 1.284 ( 39.998 13.197 15.239) 44.791 2.258 ( 0.747 -4.218 -1.463) 4.526 2.444 ( 10.415 9.220 -1.243) 13.966 3.285 ( -26.995 -16.532 18.123) 36.476 4.180 ( -2.180 -1.429 2.098) 3.346 5.795 ( -6.695 -2.668 -1.745) 7.415 5.865 ( 0.998 1.654 -5.270) 5.613 6.981 ( 1.954 0.890 5.605) 6.002 8.172 ( -6.063 -3.552 -5.747) 9.078 8.435 ( -1.245 -5.529 2.042) 6.024 8.913 ( -5.594 -0.666 -6.087) 8.294 9.134 ( 2.476 10.108 -2.230) 10.644 9.209 ( 22.210 4.703 -9.271) 24.523 14.281 ( -0.071 12.062 11.245) 16.490 14.636 ( 22.986 7.554 -7.480) 25.326 14.932 ( -3.260 2.120 -1.916) 4.335 15.018 ( 6.394 -2.148 -0.310) 6.753 15.938 ( 0.624 -2.337 0.886) 2.576 16.047 ( 4.358 6.886 6.581) 10.475 17.523 ( -1.609 -1.176 1.304) 2.381 18.758 ( -11.021 -0.327 -5.916) 12.512 18.923 ( 1.333 -4.277 -3.685) 5.801 19.046 ( 1.410 3.016 0.598) 3.382 19.205 ( 1.269 0.772 -0.780) 1.678 19.504 ( 4.576 -4.384 -6.678) 9.206 ======================= Grid point 135 (19/120) ======================= q-point: ( 0.18 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 8.968 8.669 15.466) 19.869 1.143 ( 15.986 16.640 4.875) 23.584 1.940 ( 18.405 6.704 -0.188) 19.589 2.233 ( 1.420 -2.500 0.061) 2.876 2.645 ( -4.290 -0.109 15.556) 16.137 3.103 ( 21.996 9.538 -3.740) 24.265 4.097 ( -5.040 -3.419 2.341) 6.525 5.630 ( -6.937 -4.145 1.709) 8.259 5.921 ( 2.958 2.952 -4.915) 6.451 7.067 ( 3.681 3.646 1.719) 5.459 7.985 ( -9.993 -6.387 -5.417) 13.038 8.327 ( -3.185 -8.516 1.257) 9.179 8.634 ( -19.199 -5.520 -2.439) 20.126 9.268 ( 5.391 5.656 0.203) 7.816 9.578 ( 13.852 5.438 -4.712) 15.609 14.444 ( 3.834 13.584 10.551) 17.623 14.868 ( -1.841 1.756 -0.506) 2.594 15.027 ( 7.350 11.097 -8.635) 15.866 15.148 ( 13.659 -4.335 -3.413) 14.731 15.937 ( 1.782 -0.779 1.174) 2.272 16.200 ( 5.710 7.154 14.837) 17.433 17.461 ( -3.415 -2.844 1.422) 4.666 18.511 ( -16.705 0.912 -13.949) 21.782 18.909 ( 2.750 -6.421 -2.817) 7.532 19.064 ( -0.814 -0.984 7.228) 7.340 19.224 ( 0.376 -0.035 -0.499) 0.626 19.537 ( 5.249 -5.512 -9.392) 12.089 ======================= Grid point 136 (20/120) ======================= q-point: ( 0.27 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 10.450 7.331 8.239) 15.193 1.534 ( 13.516 9.744 1.799) 16.759 2.067 ( 0.052 -2.060 -4.475) 4.927 2.253 ( -1.151 -1.289 2.551) 3.081 2.532 ( -0.347 0.049 4.551) 4.565 3.879 ( 34.354 16.686 -1.246) 38.212 3.944 ( -1.436 -1.098 2.513) 3.096 5.507 ( -3.028 -3.291 2.885) 5.322 6.025 ( 5.063 4.254 -4.266) 7.870 7.159 ( 2.299 4.668 0.054) 5.203 7.718 ( -12.272 -8.571 -4.094) 15.518 8.134 ( -6.079 -24.899 -2.391) 25.741 8.218 ( -24.020 7.450 0.766) 25.160 9.416 ( 4.828 5.943 0.644) 7.684 9.826 ( 10.326 3.757 -0.718) 11.012 14.654 ( 4.911 12.527 11.069) 17.423 14.841 ( -2.385 1.466 -0.134) 2.803 15.167 ( 2.886 1.955 0.273) 3.497 15.408 ( 12.274 8.397 -16.243) 22.022 16.009 ( 6.756 1.258 1.367) 7.007 16.386 ( 7.636 6.875 16.935) 19.808 17.347 ( -5.606 -4.856 1.415) 7.551 18.238 ( -16.017 1.638 -18.648) 24.637 18.882 ( 1.180 -6.834 -2.395) 7.337 19.001 ( -1.242 -6.812 10.178) 12.310 19.221 ( -0.172 -0.856 -0.544) 1.029 19.576 ( 4.257 -3.291 -7.427) 9.171 ======================= Grid point 137 (21/120) ======================= q-point: ( 0.36 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 9.991 5.184 4.179) 12.006 1.772 ( 7.398 2.737 1.198) 7.979 2.018 ( -2.858 -1.347 -4.115) 5.188 2.138 ( -6.205 -4.887 1.289) 8.003 2.686 ( 12.273 6.403 0.399) 13.848 3.689 ( -12.058 -8.033 1.643) 14.582 4.804 ( 39.556 20.928 -1.407) 44.773 5.457 ( 0.002 -2.282 3.309) 4.019 6.161 ( 4.938 3.989 -3.490) 7.244 7.228 ( -1.797 5.008 -2.681) 5.958 7.430 ( -9.309 -8.367 -0.840) 12.545 7.637 ( -20.855 -16.540 -3.399) 26.834 7.999 ( -10.567 -0.919 1.356) 10.693 9.536 ( 2.566 5.170 1.176) 5.891 10.004 ( 6.878 2.314 0.476) 7.272 14.818 ( 0.241 -0.531 1.637) 1.738 14.835 ( 1.091 10.995 11.227) 15.752 15.194 ( 0.062 -0.581 0.962) 1.126 15.702 ( 8.878 14.025 -18.322) 24.723 16.178 ( 9.382 3.004 -2.431) 10.146 16.567 ( 5.086 6.238 10.009) 12.844 17.177 ( -7.428 -6.544 1.231) 9.975 18.028 ( -9.631 1.649 -13.602) 16.748 18.785 ( -3.617 -8.043 3.289) 9.412 18.939 ( 3.079 -8.261 4.185) 9.759 19.203 ( -0.083 -2.058 -0.343) 2.088 19.613 ( 2.787 -1.528 -5.213) 6.106 ======================= Grid point 138 (22/120) ======================= q-point: ( 0.45 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 5.612 2.104 2.521) 6.502 1.877 ( 4.996 -0.352 1.109) 5.130 1.962 ( -2.855 -0.228 -1.565) 3.264 1.992 ( -4.223 -4.637 -2.510) 6.756 3.011 ( 16.081 8.086 0.417) 18.004 3.372 ( -14.565 -9.440 0.443) 17.362 5.446 ( 1.341 -1.886 3.354) 4.075 5.593 ( 28.525 14.392 -1.810) 32.001 6.183 ( -6.291 -3.260 -2.875) 7.647 7.090 ( -7.029 -3.508 -5.307) 9.480 7.195 ( -13.133 -3.428 -4.380) 14.262 7.402 ( 2.578 -0.174 3.155) 4.078 7.840 ( -5.967 -0.442 1.016) 6.069 9.600 ( -0.258 3.745 1.631) 4.093 10.100 ( 2.701 0.332 0.740) 2.820 14.808 ( -0.207 -0.217 0.683) 0.746 14.931 ( -1.288 7.387 13.767) 15.676 15.179 ( -0.793 -0.019 0.159) 0.809 15.947 ( 4.538 8.759 -9.753) 13.872 16.328 ( -0.298 8.875 -17.866) 19.951 16.666 ( 2.454 1.422 -0.047) 2.837 16.999 ( -5.187 -4.370 3.023) 7.426 17.950 ( -1.429 0.184 -0.555) 1.544 18.657 ( -1.294 -6.435 3.656) 7.514 18.925 ( 4.382 -8.024 1.307) 9.235 19.185 ( 0.774 -2.519 -0.421) 2.669 19.636 ( 1.299 -0.977 -3.954) 4.275 ======================= Grid point 145 (23/120) ======================= q-point: ( 0.09 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 7.062 12.232 15.182) 20.736 1.131 ( 10.142 17.567 12.518) 23.836 1.758 ( 15.597 27.014 2.870) 31.325 2.200 ( -0.756 -1.310 -2.973) 3.336 2.659 ( 4.099 7.099 11.993) 14.527 3.000 ( -0.462 -0.800 0.123) 0.932 4.123 ( -2.599 -4.501 2.111) 5.610 5.681 ( -4.721 -8.177 0.814) 9.477 5.908 ( 1.786 3.094 -4.511) 5.754 7.053 ( 3.275 5.673 2.954) 7.186 8.042 ( -5.440 -9.423 -5.711) 12.288 8.268 ( -6.285 -10.886 -0.555) 12.582 8.994 ( -2.515 -4.356 2.780) 5.747 9.008 ( -0.300 -0.520 -4.401) 4.442 9.531 ( 9.172 15.887 -5.863) 19.259 14.520 ( 6.161 10.671 16.680) 20.738 14.907 ( -2.324 -4.025 0.787) 4.714 14.911 ( 9.974 17.276 -13.328) 23.991 15.072 ( 4.589 7.949 -4.413) 10.184 15.912 ( -0.329 -0.569 -0.154) 0.675 16.189 ( 3.976 6.887 15.338) 17.277 17.476 ( -2.115 -3.663 1.116) 4.375 18.728 ( -2.751 -4.764 -6.834) 8.773 18.804 ( -3.234 -5.601 -8.535) 10.708 19.064 ( -1.348 -2.335 8.278) 8.706 19.242 ( 1.413 2.447 -0.544) 2.877 19.417 ( -1.433 -2.482 -12.766) 13.084 ======================= Grid point 146 (24/120) ======================= q-point: ( 0.18 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.480 13.343 8.792) 17.243 1.444 ( 9.387 11.921 5.732) 16.220 2.078 ( 1.888 6.941 -2.514) 7.619 2.231 ( 3.766 2.408 -0.471) 4.494 2.557 ( -5.356 -6.873 7.887) 11.753 3.500 ( 30.053 28.898 -3.356) 41.828 4.000 ( -5.569 -6.310 2.130) 8.681 5.527 ( -4.221 -5.830 1.601) 7.374 5.993 ( 3.724 4.542 -3.841) 7.018 7.170 ( 3.092 6.430 2.081) 7.433 7.812 ( -9.534 -10.869 -5.136) 15.343 8.006 ( -6.747 -20.029 -1.886) 21.218 8.709 ( -23.473 7.945 0.701) 24.791 9.167 ( 16.538 -11.503 0.209) 20.146 9.809 ( 6.371 14.125 -1.501) 15.568 14.713 ( 2.987 9.996 13.873) 17.358 14.837 ( -0.028 -1.827 3.078) 3.580 15.192 ( 4.846 9.693 0.595) 10.854 15.326 ( 11.065 17.414 -18.873) 27.962 15.920 ( 2.658 -0.946 0.911) 2.965 16.329 ( 5.726 5.820 20.907) 22.445 17.377 ( -4.129 -5.764 0.840) 7.139 18.531 ( -15.178 0.985 -14.229) 20.827 18.759 ( 4.087 -8.884 -8.322) 12.841 18.965 ( -3.361 -8.294 11.772) 14.787 19.260 ( -2.936 3.327 -1.873) 4.816 19.429 ( 6.447 -5.131 -10.989) 13.735 ======================= Grid point 147 (25/120) ======================= q-point: ( 0.27 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 5.024 12.204 3.750) 13.720 1.667 ( 8.014 3.049 1.408) 8.689 2.097 ( -3.493 3.036 -2.717) 5.367 2.228 ( -7.336 1.097 1.218) 7.517 2.559 ( 9.081 3.549 0.992) 9.801 3.798 ( -9.460 -7.466 1.508) 12.145 4.363 ( 36.429 25.112 -2.703) 44.328 5.436 ( -1.046 -3.689 1.411) 4.086 6.116 ( 4.846 4.655 -3.050) 7.380 7.287 ( 2.152 8.276 2.055) 8.795 7.514 ( -11.768 -12.221 -3.918) 17.412 7.650 ( -9.150 -23.075 -3.161) 25.024 8.382 ( -23.680 8.486 1.449) 25.196 9.321 ( 14.768 -12.057 1.533) 19.127 10.027 ( 3.241 13.316 0.203) 13.707 14.726 ( 1.826 -7.882 2.050) 8.347 14.951 ( 1.152 14.398 14.362) 20.369 15.316 ( -2.917 12.756 1.046) 13.127 15.692 ( 10.149 16.711 -20.132) 28.063 16.011 ( 9.811 -0.421 2.027) 10.027 16.504 ( 8.017 5.325 19.021) 21.318 17.221 ( -6.178 -7.900 0.405) 10.037 18.277 ( -15.634 2.116 -16.394) 22.753 18.738 ( 1.733 -7.631 -7.804) 11.052 18.812 ( -1.417 -11.622 10.188) 15.520 19.223 ( -3.279 0.848 -2.646) 4.298 19.500 ( 6.630 -4.297 -6.753) 10.393 ======================= Grid point 148 (26/120) ======================= q-point: ( 0.36 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 3.885 6.662 1.119) 7.793 1.798 ( 5.521 1.357 -0.518) 5.709 2.019 ( -4.274 -4.744 -3.084) 7.091 2.121 ( -9.430 9.279 0.553) 13.242 2.837 ( 14.205 8.826 -0.139) 16.724 3.526 ( -13.213 -8.025 0.582) 15.470 5.184 ( 34.047 16.526 -3.091) 37.972 5.408 ( 1.157 -2.630 1.136) 3.090 6.204 ( 0.482 -0.705 -2.289) 2.443 7.156 ( -10.386 -14.190 -4.943) 18.266 7.293 ( -8.821 -12.831 -2.761) 15.814 7.448 ( 1.350 11.526 2.972) 11.980 8.087 ( -18.891 6.326 1.965) 20.019 9.424 ( 11.818 -13.314 2.461) 17.972 10.173 ( -0.787 11.676 0.889) 11.736 14.687 ( 3.831 -9.533 0.771) 10.303 15.080 ( -2.779 13.902 15.958) 21.346 15.355 ( -7.126 13.551 0.793) 15.331 15.945 ( 5.112 7.734 -9.422) 13.219 16.261 ( 14.635 6.671 -7.076) 17.572 16.665 ( 2.860 4.073 6.871) 8.484 17.027 ( -5.753 -8.248 1.060) 10.112 18.067 ( -10.581 1.972 -7.935) 13.372 18.619 ( -3.011 -8.369 2.974) 9.378 18.760 ( 5.011 -9.507 -4.948) 11.831 19.178 ( -1.951 -0.413 -2.345) 3.078 19.558 ( 4.797 -4.040 -4.660) 7.814 ======================= Grid point 149 (27/120) ======================= q-point: ( 0.45 0.09 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -0.350 0.607 1.302) 1.479 1.885 ( 0.724 -1.254 -0.551) 1.550 1.916 ( 0.717 -1.242 -5.537) 5.720 2.086 ( -7.448 12.901 1.071) 14.935 3.133 ( 1.052 -1.822 1.738) 2.729 3.246 ( -1.528 2.646 -1.964) 3.632 5.401 ( 1.524 -2.639 1.054) 3.225 5.696 ( 3.695 -6.400 -3.209) 8.056 6.095 ( 1.340 -2.320 -2.105) 3.407 6.995 ( 2.762 -4.784 -4.876) 7.368 7.124 ( 1.365 -2.365 -3.367) 4.335 7.551 ( -7.065 12.238 4.063) 14.703 7.926 ( -5.008 8.674 1.852) 10.186 9.460 ( 8.642 -14.969 2.817) 17.512 10.224 ( -5.351 9.268 1.089) 10.757 14.672 ( 5.398 -9.349 0.472) 10.805 15.125 ( -6.849 11.863 16.657) 21.567 15.358 ( -7.975 13.814 0.498) 15.959 16.027 ( -0.233 0.403 -3.366) 3.398 16.542 ( -4.969 8.606 -14.849) 17.868 16.597 ( 3.247 -5.623 -2.182) 6.850 16.943 ( 0.952 -1.648 3.827) 4.274 17.982 ( -1.996 3.457 1.328) 4.207 18.544 ( 2.699 -4.674 0.785) 5.454 18.757 ( 5.173 -8.959 -6.412) 12.171 19.158 ( -0.010 0.017 -2.172) 2.172 19.579 ( 2.742 -4.750 -4.007) 6.793 ======================= Grid point 158 (28/120) ======================= q-point: ( 0.18 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 7.501 12.992 2.491) 15.207 1.593 ( 2.475 4.287 1.412) 5.148 2.141 ( -1.201 -2.080 -0.207) 2.411 2.380 ( 6.978 12.086 0.158) 13.956 2.438 ( -1.784 -3.090 2.201) 4.192 3.849 ( -5.200 -9.007 1.887) 10.570 4.153 ( 20.468 35.451 -4.281) 41.159 5.425 ( -2.342 -4.057 0.521) 4.713 6.096 ( 3.257 5.642 -2.777) 7.082 7.312 ( 4.653 8.059 3.587) 9.973 7.574 ( -7.487 -12.968 -5.134) 15.830 7.589 ( -12.601 -21.825 -2.733) 25.350 8.829 ( -2.627 -4.549 4.814) 7.125 8.932 ( -2.076 -3.595 -2.224) 4.710 10.072 ( 7.000 12.124 0.435) 14.007 14.666 ( -3.427 -5.935 1.982) 7.134 15.026 ( 7.384 12.789 14.885) 20.968 15.424 ( 6.845 11.856 2.604) 13.935 15.686 ( 10.604 18.367 -20.784) 29.695 15.908 ( 0.209 0.363 1.169) 1.242 16.450 ( 4.183 7.245 23.744) 25.175 17.234 ( -5.007 -8.673 0.247) 10.017 18.533 ( -2.876 -4.981 -14.967) 16.034 18.572 ( -3.406 -5.899 -11.990) 13.790 18.778 ( -5.778 -10.008 10.694) 15.745 19.330 ( -1.428 -2.473 -11.616) 11.962 19.340 ( 1.133 1.963 0.472) 2.315 ======================= Grid point 159 (29/120) ======================= q-point: ( 0.27 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.285 5.424 -0.887) 5.503 1.716 ( 7.245 5.024 -1.807) 9.000 2.039 ( -4.336 -6.434 -1.496) 7.902 2.390 ( -6.756 11.523 1.280) 13.419 2.693 ( 13.289 9.848 0.503) 16.548 3.643 ( -8.932 -8.192 1.325) 12.192 4.845 ( 25.666 23.371 -4.920) 35.059 5.370 ( -0.288 -2.878 -0.704) 2.977 6.185 ( 1.473 1.228 -1.639) 2.523 7.167 ( -10.977 -19.356 -3.926) 22.596 7.311 ( -7.365 -11.369 -2.568) 13.787 7.513 ( 5.345 12.700 2.762) 14.053 8.533 ( -23.944 6.412 2.725) 24.937 9.025 ( 15.964 -17.195 1.726) 23.527 10.273 ( 3.033 10.955 1.491) 11.464 14.568 ( -0.309 -7.178 0.975) 7.251 15.247 ( 1.896 14.897 14.383) 20.794 15.593 ( -2.623 13.814 2.331) 14.253 15.928 ( 2.980 3.037 -2.644) 5.009 16.062 ( 14.699 9.079 -10.611) 20.275 16.630 ( 7.182 8.479 17.629) 20.839 17.039 ( -6.453 -10.462 -0.182) 12.294 18.308 ( -14.819 0.583 -10.869) 18.387 18.557 ( 5.009 -12.608 -4.270) 14.223 18.602 ( -2.650 -6.824 -5.092) 8.917 19.246 ( -5.132 1.198 -5.604) 7.693 19.414 ( 6.165 -4.097 -2.705) 7.881 ======================= Grid point 160 (30/120) ======================= q-point: ( 0.36 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.071 2.097 -0.682) 2.451 1.842 ( 3.238 1.901 -4.186) 5.624 1.911 ( -2.830 -5.070 -3.209) 6.634 2.403 ( -9.077 17.289 1.660) 19.597 3.003 ( 12.215 6.142 0.343) 13.677 3.396 ( -11.487 -4.166 0.192) 12.220 5.346 ( 1.938 -2.388 -1.567) 3.452 5.446 ( 21.189 9.188 -4.300) 23.492 6.093 ( -6.586 -10.580 -1.248) 12.524 6.925 ( -1.070 -6.369 -4.747) 8.015 7.104 ( -4.241 -7.518 -3.382) 9.271 7.756 ( 3.022 18.704 4.683) 19.517 8.203 ( -19.405 5.138 2.761) 20.263 9.096 ( 13.212 -19.173 2.800) 23.452 10.382 ( -1.780 8.788 2.047) 9.197 14.517 ( 2.586 -7.069 0.497) 7.544 15.370 ( -4.960 14.920 14.782) 21.581 15.632 ( -7.115 13.046 1.206) 14.909 15.996 ( 3.052 -0.886 0.261) 3.189 16.393 ( 14.352 4.722 -5.040) 15.927 16.723 ( -7.723 -0.907 -0.537) 7.794 16.902 ( 2.738 -1.364 6.423) 7.114 18.100 ( -8.873 1.631 -3.106) 9.541 18.467 ( 0.585 -7.275 -0.107) 7.299 18.583 ( 4.593 -7.648 -17.104) 19.291 19.191 ( -2.790 1.758 -3.498) 4.808 19.460 ( 4.696 -5.685 -2.843) 7.903 ======================= Grid point 166 (31/120) ======================= q-point: (-0.09 0.18 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -6.754 11.698 16.034) 20.965 0.912 ( -11.433 19.803 4.475) 23.300 1.862 ( -13.882 24.045 3.628) 28.001 2.280 ( 0.292 -0.506 0.904) 1.076 2.606 ( -3.192 5.529 13.195) 14.658 3.052 ( -2.035 3.525 1.024) 4.197 4.131 ( 2.302 -3.987 2.459) 5.219 5.675 ( 3.933 -6.813 1.242) 7.964 5.884 ( -1.323 2.291 -5.417) 6.028 7.033 ( -2.032 3.520 1.878) 4.477 8.050 ( 5.026 -8.706 -5.491) 11.455 8.355 ( 5.438 -9.419 2.909) 11.259 8.893 ( 3.500 -6.062 -1.381) 7.134 9.018 ( 0.446 -0.773 -4.744) 4.827 9.566 ( -9.349 16.193 -4.422) 19.214 14.284 ( -3.243 5.617 6.648) 9.287 14.845 ( 2.458 -4.257 -1.443) 5.123 14.905 ( -6.094 10.554 -4.823) 13.107 15.225 ( -7.494 12.981 -3.264) 15.340 15.948 ( 0.667 -1.155 0.900) 1.609 16.106 ( -3.618 6.266 12.712) 14.627 17.489 ( 1.576 -2.730 1.678) 3.571 18.501 ( 8.499 -14.721 -13.648) 21.799 19.000 ( -1.646 2.851 1.851) 3.777 19.038 ( 0.017 -0.029 1.728) 1.728 19.233 ( -0.948 1.642 -1.032) 2.158 19.604 ( -1.557 2.697 -6.711) 7.398 ======================= Grid point 170 (32/120) ======================= q-point: ( 0.27 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 1.208 2.092 -1.945) 3.101 1.823 ( 1.628 2.820 -5.148) 6.091 1.910 ( -2.997 -5.191 -1.985) 6.314 2.612 ( 5.903 10.225 1.034) 11.851 2.896 ( 5.189 8.988 0.678) 10.401 3.484 ( -4.303 -7.453 1.345) 8.710 5.273 ( 10.317 17.869 -4.884) 21.204 5.330 ( 0.685 1.186 -2.901) 3.208 6.096 ( -6.569 -11.379 -0.876) 13.168 6.904 ( -3.234 -5.601 -4.762) 8.032 7.106 ( -5.316 -9.207 -3.478) 11.186 7.818 ( 10.183 17.637 4.696) 20.900 8.577 ( -5.065 -8.773 5.586) 11.569 8.713 ( -4.212 -7.295 0.455) 8.436 10.442 ( 3.456 5.985 2.427) 7.325 14.458 ( -2.183 -3.782 0.561) 4.403 15.509 ( 6.319 10.945 11.337) 16.978 15.785 ( 2.224 3.852 3.635) 5.744 15.946 ( 0.891 1.543 2.321) 2.926 16.268 ( 6.399 11.084 -5.744) 14.028 16.814 ( -6.909 -11.966 -0.688) 13.834 16.833 ( 5.959 10.321 14.163) 18.510 18.258 ( -4.092 -7.088 0.532) 8.202 18.353 ( -2.998 -5.192 -11.400) 12.880 18.511 ( -1.409 -2.441 -17.630) 17.854 19.255 ( -0.264 -0.458 -5.555) 5.580 19.357 ( -0.802 -1.389 -0.482) 1.675 ======================= Grid point 171 (33/120) ======================= q-point: ( 0.36 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -1.250 2.165 -2.182) 3.318 1.798 ( 2.207 -3.823 -3.909) 5.896 1.889 ( -0.380 0.658 -4.299) 4.366 2.730 ( -8.213 14.225 0.737) 16.442 2.993 ( 3.840 -6.651 0.249) 7.684 3.395 ( -1.336 2.313 1.496) 3.062 5.302 ( 0.816 -1.414 -3.317) 3.697 5.591 ( -3.282 5.684 -4.076) 7.726 5.862 ( 5.688 -9.851 -1.988) 11.547 6.892 ( -0.757 1.311 -4.455) 4.706 6.985 ( 2.524 -4.372 -3.802) 6.320 8.121 ( -8.163 14.139 5.804) 17.327 8.303 ( -4.254 7.367 3.748) 9.296 8.701 ( 11.237 -19.463 2.305) 22.591 10.502 ( -1.818 3.148 2.783) 4.579 14.421 ( 1.445 -2.502 0.418) 2.920 15.634 ( -6.198 10.735 10.113) 15.998 15.793 ( -0.584 1.011 3.549) 3.736 15.971 ( 0.019 -0.033 2.358) 2.358 16.454 ( -1.336 2.315 -1.519) 3.074 16.620 ( 3.285 -5.690 -1.339) 6.706 16.955 ( -1.579 2.734 15.260) 15.583 18.158 ( -2.778 4.812 -5.380) 7.735 18.312 ( 4.685 -8.114 -7.212) 11.823 18.492 ( 1.046 -1.812 -21.324) 21.426 19.245 ( -2.058 3.565 -2.971) 5.077 19.348 ( 3.004 -5.203 -1.891) 6.299 ======================= Grid point 177 (34/120) ======================= q-point: (-0.18 0.27 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -7.327 15.140 8.021) 18.635 1.345 ( -16.713 13.344 1.272) 21.424 2.124 ( -0.852 5.519 -2.760) 6.229 2.278 ( 0.239 2.435 1.825) 3.052 2.530 ( 2.970 -5.933 9.731) 11.778 3.577 ( -28.249 31.343 -0.641) 42.199 4.017 ( 5.743 -5.449 2.833) 8.408 5.556 ( 3.601 -3.349 3.365) 5.959 5.958 ( -4.237 3.008 -5.165) 7.326 7.102 ( -2.622 2.071 -1.164) 3.538 7.839 ( 9.130 -8.947 -4.007) 13.397 8.099 ( 7.396 -19.886 1.496) 21.269 8.625 ( 23.292 6.983 -1.960) 24.395 9.122 ( -15.547 -12.744 -2.028) 20.205 9.843 ( -5.987 14.126 -0.281) 15.345 14.455 ( -9.686 4.498 4.167) 11.463 14.773 ( 0.017 -5.626 -0.594) 5.657 15.094 ( -7.381 5.297 -4.571) 10.170 15.458 ( -0.993 16.474 -5.979) 17.554 15.945 ( -4.103 -1.775 0.043) 4.471 16.269 ( -7.516 5.846 15.898) 18.531 17.411 ( 4.022 -3.740 2.248) 5.935 18.217 ( 7.463 -13.945 -19.442) 25.063 18.997 ( 3.784 2.295 2.151) 4.920 19.061 ( -0.751 0.652 6.367) 6.444 19.254 ( 0.709 2.067 -0.817) 2.333 19.624 ( 0.794 1.437 -4.270) 4.575 ======================= Grid point 189 (35/120) ======================= q-point: (-0.27 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -6.032 14.775 4.112) 16.480 1.683 ( -10.512 7.018 0.770) 12.663 2.097 ( 4.839 0.014 -2.611) 5.499 2.252 ( 6.617 3.496 3.193) 8.137 2.572 ( -9.217 4.551 1.749) 10.427 3.825 ( 9.893 -6.500 2.709) 12.143 4.422 ( -34.355 27.490 -0.514) 44.003 5.493 ( 1.727 -0.356 4.375) 4.717 6.079 ( -5.973 3.005 -4.490) 8.054 7.156 ( -2.159 -0.300 -3.792) 4.373 7.578 ( 11.632 -8.111 -1.606) 14.272 7.726 ( 9.963 -22.813 -0.331) 24.896 8.294 ( 23.170 7.593 -1.561) 24.433 9.253 ( -15.067 -14.381 -1.092) 20.857 10.050 ( -2.885 12.520 1.067) 12.892 14.647 ( -8.015 -1.344 2.919) 8.635 14.750 ( -3.456 -1.738 1.917) 4.318 15.261 ( -5.083 5.746 -4.391) 8.839 15.570 ( 0.998 10.365 -9.880) 14.355 16.082 ( -10.347 1.728 -2.555) 10.797 16.439 ( -7.176 1.406 10.989) 13.200 17.275 ( 6.784 -5.011 2.619) 8.831 18.008 ( 3.672 -7.339 -17.220) 19.076 18.919 ( 6.409 -0.697 3.881) 7.525 19.066 ( 2.490 4.243 6.961) 8.524 19.254 ( 1.819 2.605 0.024) 3.177 19.622 ( -0.196 -0.490 -2.745) 2.795 ======================= Grid point 190 (36/120) ======================= q-point: (-0.18 0.36 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -9.106 15.773 2.347) 18.363 1.599 ( -6.280 10.878 1.658) 12.670 2.137 ( 2.146 -3.716 -0.329) 4.304 2.392 ( -5.509 9.541 0.749) 11.043 2.465 ( -0.312 0.541 4.454) 4.497 3.880 ( 4.918 -8.519 3.166) 10.334 4.250 ( -20.493 35.495 -0.403) 40.989 5.507 ( 0.883 -1.530 4.646) 4.971 6.039 ( -2.838 4.916 -4.990) 7.558 7.139 ( -0.688 1.191 -4.541) 4.745 7.659 ( 4.916 -8.514 -1.393) 9.930 7.670 ( 13.192 -22.849 0.109) 26.384 8.721 ( 2.345 -4.061 0.851) 4.766 8.866 ( 3.796 -6.575 -4.657) 8.906 10.092 ( -6.300 10.912 1.151) 12.652 14.567 ( -1.772 3.069 -0.158) 3.547 14.711 ( -1.472 2.550 -0.148) 2.948 15.209 ( -3.622 6.274 -6.515) 9.743 15.774 ( -7.700 13.336 -6.104) 16.565 15.892 ( 0.456 -0.790 -0.080) 0.915 16.385 ( -2.440 4.226 10.309) 11.406 17.309 ( 3.902 -6.758 3.317) 8.479 18.004 ( 3.777 -6.543 -18.403) 19.893 18.974 ( 2.168 -3.754 4.878) 6.526 19.106 ( -1.615 2.797 6.450) 7.214 19.291 ( -0.849 1.471 -1.196) 2.077 19.613 ( 1.077 -1.866 -0.025) 2.155 ======================= Grid point 201 (37/120) ======================= q-point: (-0.36 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -3.007 8.861 2.772) 9.759 1.862 ( -5.262 4.131 -0.470) 6.707 2.007 ( 3.930 -1.086 -1.560) 4.366 2.165 ( 10.179 8.731 2.278) 13.603 2.862 ( -14.281 10.361 0.829) 17.663 3.555 ( 13.849 -7.024 1.951) 15.650 5.237 ( -32.988 19.060 -1.258) 38.120 5.480 ( 0.697 1.139 4.789) 4.972 6.179 ( -2.271 -1.362 -3.399) 4.309 7.115 ( 4.043 -7.148 -6.476) 10.459 7.225 ( 11.040 -18.359 -3.143) 21.652 7.502 ( 3.896 4.367 2.042) 6.199 8.004 ( 16.959 3.935 -1.135) 17.447 9.343 ( -12.918 -16.024 -0.566) 20.590 10.183 ( 0.649 10.376 1.285) 10.475 14.676 ( -4.984 -9.309 0.462) 10.569 14.852 ( -3.393 3.740 6.821) 8.487 15.341 ( 5.301 11.248 -0.836) 12.463 15.725 ( -12.236 1.976 -14.919) 19.396 16.214 ( -2.634 -4.105 -12.351) 13.279 16.557 ( -8.986 -1.147 3.172) 9.598 17.089 ( 8.144 -6.010 3.187) 10.611 17.963 ( -0.194 2.896 -5.669) 6.369 18.781 ( 7.425 -1.513 4.683) 8.907 19.067 ( 3.488 6.289 5.953) 9.336 19.246 ( 2.259 2.973 0.775) 3.814 19.622 ( -1.288 -2.003 -1.935) 3.069 ======================= Grid point 202 (38/120) ======================= q-point: (-0.27 0.45 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -0.163 8.929 1.709) 9.093 1.792 ( -7.943 5.178 -1.023) 9.537 2.045 ( 2.949 -3.182 1.520) 4.597 2.450 ( 7.157 14.328 3.243) 16.341 2.713 ( -15.197 9.900 1.350) 18.187 3.680 ( 8.911 -8.133 2.911) 12.411 4.935 ( -24.635 24.139 -1.411) 34.519 5.494 ( 0.140 0.435 5.169) 5.190 6.126 ( -2.636 0.976 -3.998) 4.887 7.112 ( 2.713 -4.882 -7.553) 9.394 7.222 ( 12.055 -21.508 -2.019) 24.738 7.575 ( 0.273 3.269 1.476) 3.597 8.424 ( 24.415 5.367 -1.578) 25.048 8.914 ( -15.919 -19.384 -2.300) 25.188 10.267 ( -2.617 9.147 1.274) 9.599 14.543 ( -0.717 -6.208 0.085) 6.250 14.866 ( -4.300 10.461 -1.309) 11.386 15.352 ( -7.932 3.649 -9.404) 12.832 15.795 ( 8.843 10.906 -2.974) 14.352 16.083 ( -10.774 -1.488 -8.316) 13.691 16.412 ( -3.088 -3.248 1.846) 4.847 17.144 ( 6.497 -8.409 4.137) 11.404 17.986 ( -2.098 5.155 -8.839) 10.445 18.862 ( 5.536 -5.051 4.473) 8.727 19.154 ( 0.127 4.490 7.423) 8.677 19.309 ( 1.168 2.655 -0.170) 2.905 19.573 ( -0.155 -3.962 1.947) 4.417 ======================= Grid point 211 (39/120) ======================= q-point: (-0.45 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 1.240 2.148 2.611) 3.601 1.937 ( -1.071 -1.855 -6.114) 6.478 1.973 ( 1.572 2.722 2.941) 4.304 2.104 ( 9.092 15.747 2.780) 18.395 3.195 ( 0.599 1.037 4.263) 4.428 3.246 ( 1.407 2.437 -1.818) 3.350 5.480 ( 0.818 1.417 4.818) 5.089 5.764 ( -2.338 -4.050 -0.720) 4.731 6.082 ( -1.638 -2.837 -2.962) 4.416 6.992 ( -3.128 -5.417 -5.270) 8.179 7.036 ( -2.528 -4.378 -5.954) 7.811 7.532 ( 5.723 9.912 2.499) 11.715 7.852 ( 3.111 5.389 -1.225) 6.342 9.375 ( -10.214 -17.691 -0.355) 20.430 10.229 ( 4.617 7.997 1.275) 9.322 14.671 ( -5.590 -9.682 0.434) 11.188 14.900 ( 0.935 1.619 7.766) 7.988 15.344 ( 7.515 13.016 -0.266) 15.031 15.909 ( -2.720 -4.712 -7.377) 9.166 16.141 ( -5.895 -10.210 -28.803) 31.123 16.683 ( -1.245 -2.157 1.646) 2.986 16.946 ( -1.166 -2.020 4.326) 4.915 17.998 ( 3.049 5.281 1.354) 6.247 18.695 ( 0.964 1.670 4.017) 4.456 19.069 ( 3.921 6.792 5.607) 9.641 19.240 ( 1.939 3.359 0.938) 3.990 19.624 ( -1.515 -2.624 -1.642) 3.446 ======================= Grid point 213 (40/120) ======================= q-point: (-0.36 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.812 2.977 2.184) 3.780 1.890 ( -1.826 -1.926 -4.711) 5.407 2.019 ( 0.382 2.743 3.622) 4.560 2.472 ( 10.400 19.870 3.997) 22.780 3.071 ( -14.197 9.536 2.609) 17.300 3.420 ( 12.905 -6.216 1.624) 14.416 5.501 ( 0.202 0.946 5.331) 5.418 5.525 ( -22.043 10.036 -1.317) 24.256 6.072 ( 5.132 -9.615 -2.292) 11.137 6.919 ( 2.936 -9.233 -5.279) 11.033 6.992 ( 2.683 -6.329 -7.318) 10.040 7.703 ( -2.361 14.920 1.693) 15.200 8.079 ( 18.990 3.325 -2.474) 19.437 8.970 ( -13.926 -21.126 -1.743) 25.363 10.358 ( 1.326 6.965 1.116) 7.178 14.507 ( -3.022 -7.199 0.125) 7.808 14.989 ( 2.175 9.986 -0.238) 10.223 15.525 ( -4.375 5.114 -6.555) 9.395 15.806 ( -1.461 6.878 -6.728) 9.732 16.029 ( 4.365 -12.582 -22.276) 25.953 16.558 ( -11.038 1.126 3.896) 11.759 16.939 ( 5.909 -8.885 4.699) 11.660 18.112 ( -0.307 10.797 -0.723) 10.826 18.718 ( 3.611 -4.956 3.497) 7.059 19.187 ( 2.231 5.963 7.652) 9.955 19.306 ( 2.007 2.804 1.258) 3.671 19.548 ( -2.260 -5.096 2.058) 5.942 ======================= Grid point 214 (41/120) ======================= q-point: (-0.27 0.55 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -0.748 1.296 2.065) 2.550 1.856 ( 0.220 -0.381 -4.323) 4.346 2.036 ( -1.204 2.085 4.023) 4.689 2.723 ( -6.654 11.525 4.942) 14.196 2.949 ( -7.384 12.789 2.450) 14.969 3.507 ( 5.349 -9.264 2.369) 10.957 5.365 ( -11.359 19.674 -1.984) 22.805 5.506 ( -0.366 0.633 5.461) 5.509 6.064 ( 4.964 -8.597 -2.231) 10.175 6.900 ( 5.408 -9.367 -5.093) 11.956 6.986 ( 3.972 -6.881 -7.836) 11.159 7.751 ( -7.900 13.684 0.833) 15.823 8.480 ( 5.056 -8.757 1.911) 10.291 8.535 ( 5.492 -9.513 -6.557) 12.793 10.404 ( -2.711 4.695 0.979) 5.509 14.444 ( 2.070 -3.585 0.005) 4.140 15.097 ( -6.537 11.323 -5.602) 14.224 15.421 ( -2.278 3.946 -10.791) 11.714 15.935 ( -1.641 2.843 1.615) 3.659 15.977 ( 5.572 -9.652 -22.689) 25.279 16.436 ( -4.411 7.640 4.182) 9.763 16.948 ( 6.440 -11.154 5.004) 13.817 18.167 ( -6.651 11.520 -1.904) 13.438 18.724 ( 5.014 -8.684 3.053) 10.482 19.241 ( -2.432 4.213 7.841) 9.228 19.349 ( -0.664 1.150 -0.026) 1.329 19.487 ( 2.424 -4.199 5.532) 7.356 ======================= Grid point 225 (42/120) ======================= q-point: (-0.36 0.64 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 1.114 1.930 0.953) 2.423 1.838 ( -1.457 -2.524 -2.002) 3.536 2.064 ( 0.741 1.283 2.939) 3.291 2.846 ( 9.270 16.057 4.907) 19.179 3.122 ( -3.556 -6.159 5.118) 8.762 3.372 ( 1.019 1.765 0.570) 2.116 5.513 ( 0.187 0.325 5.643) 5.656 5.653 ( 2.149 3.722 -1.691) 4.619 5.869 ( -4.655 -8.062 -1.751) 9.473 6.838 ( -0.180 -0.312 -6.863) 6.872 6.894 ( -1.972 -3.415 -7.477) 8.453 8.033 ( 7.712 13.357 2.274) 15.590 8.153 ( 4.811 8.332 -3.932) 10.394 8.536 ( -12.860 -22.274 -3.075) 25.903 10.450 ( 1.370 2.373 0.810) 2.857 14.408 ( -1.522 -2.637 -0.086) 3.046 15.223 ( 7.299 12.642 -6.340) 15.916 15.497 ( -4.516 -7.823 -8.297) 12.265 15.816 ( -3.108 -5.383 -29.706) 30.349 15.961 ( 3.067 5.311 2.178) 6.508 16.595 ( 1.428 2.474 4.977) 5.739 16.770 ( -4.013 -6.951 5.220) 9.574 18.335 ( 5.954 10.313 0.564) 11.922 18.588 ( -4.351 -7.536 1.894) 8.905 19.301 ( 2.980 5.162 7.591) 9.652 19.348 ( 0.860 1.489 1.282) 2.145 19.438 ( -3.223 -5.582 5.963) 8.781 ======================= Grid point 266 (43/120) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 0.000 21.343) 21.343 0.978 ( 0.000 -0.000 21.343) 21.343 1.531 ( 0.000 -0.000 33.816) 33.816 2.231 ( 0.000 -0.000 -3.291) 3.291 2.231 ( 0.000 -0.000 -3.291) 3.291 3.822 ( 0.000 0.000 -5.748) 5.748 4.259 ( 0.000 -0.000 2.994) 2.994 5.705 ( 0.000 0.000 -8.125) 8.125 5.705 ( 0.000 -0.000 -8.125) 8.125 7.144 ( 0.000 0.000 7.050) 7.050 8.190 ( 0.000 0.000 -5.949) 5.949 8.540 ( -0.000 0.000 3.610) 3.610 8.540 ( 0.000 0.000 3.610) 3.610 9.074 ( 0.000 0.000 -0.956) 0.956 9.074 ( 0.000 -0.000 -0.956) 0.956 14.587 ( 0.000 0.000 19.305) 19.305 14.587 ( 0.000 -0.000 19.305) 19.305 14.942 ( 0.000 0.000 -0.055) 0.055 14.942 ( 0.000 -0.000 -0.055) 0.055 15.978 ( 0.000 0.000 1.719) 1.719 15.978 ( 0.000 -0.000 1.719) 1.719 17.577 ( 0.000 0.000 1.983) 1.983 18.785 ( 0.000 0.000 -2.257) 2.257 18.870 ( 0.000 0.000 -7.001) 7.001 18.870 ( 0.000 0.000 -7.001) 7.001 19.161 ( 0.000 -0.000 -1.427) 1.427 19.506 ( 0.000 -0.000 1.603) 1.603 ======================= Grid point 267 (44/120) ======================= q-point: ( 0.09 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 2.381 15.708 16.347) 22.795 1.224 ( 8.785 3.723 20.170) 22.313 1.694 ( 17.024 4.754 22.648) 28.728 2.208 ( 3.626 -6.864 -3.386) 8.469 2.412 ( 13.164 12.841 -1.955) 18.493 3.478 ( -23.555 -14.475 2.423) 27.753 4.237 ( -1.890 -1.367 3.152) 3.921 5.708 ( -1.013 -0.341 -6.215) 6.306 5.724 ( 0.993 1.896 -7.745) 8.035 7.120 ( -0.971 -0.139 7.599) 7.662 8.052 ( -7.768 -4.299 -5.599) 10.496 8.487 ( -0.588 -8.484 2.770) 8.944 8.792 ( 0.847 5.558 -4.352) 7.110 9.070 ( 3.148 14.583 -1.708) 15.016 9.165 ( 12.014 -4.156 -0.267) 12.716 14.559 ( -1.260 7.348 14.956) 16.711 14.774 ( 11.304 2.823 14.269) 18.422 14.908 ( -3.155 2.686 0.499) 4.174 15.014 ( 7.402 -1.722 0.725) 7.634 15.962 ( 0.487 -2.982 1.514) 3.379 16.130 ( 9.631 10.391 2.489) 14.385 17.559 ( -1.436 -1.230 2.049) 2.788 18.607 ( -18.117 -0.439 -7.983) 19.803 18.830 ( 4.645 -8.198 -5.139) 10.733 18.994 ( 4.264 4.935 -5.259) 8.378 19.182 ( 1.565 1.202 -1.282) 2.353 19.467 ( -0.779 -5.029 1.363) 5.268 ======================= Grid point 268 (45/120) ======================= q-point: ( 0.18 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 8.809 12.651 8.162) 17.443 1.330 ( 1.428 7.265 17.012) 18.553 1.973 ( 7.448 1.069 3.346) 8.235 2.227 ( 4.887 -2.873 -0.560) 5.697 2.950 ( -15.337 -8.867 10.442) 20.564 3.005 ( 31.789 14.689 -3.478) 35.191 4.159 ( -4.683 -3.515 3.472) 6.807 5.647 ( -3.184 -2.877 -0.480) 4.318 5.788 ( 3.374 3.688 -7.296) 8.844 7.128 ( 0.044 2.955 4.325) 5.238 7.857 ( -9.250 -6.287 -6.273) 12.823 8.358 ( -2.023 -13.330 1.585) 13.575 8.572 ( -20.368 -1.685 -3.350) 20.710 9.273 ( 4.418 9.312 0.275) 10.311 9.493 ( 18.840 5.236 -3.159) 19.808 14.669 ( 1.874 13.333 9.087) 16.244 14.863 ( -2.495 2.177 0.113) 3.313 15.004 ( 7.692 5.610 8.762) 12.938 15.142 ( 9.598 -3.331 0.656) 10.180 15.950 ( 0.930 -0.651 0.535) 1.255 16.438 ( 11.540 12.255 7.924) 18.605 17.501 ( -3.052 -3.146 2.225) 4.916 18.229 ( -24.084 -0.052 -12.406) 27.092 18.821 ( 4.965 -10.493 -5.551) 12.867 19.100 ( 3.014 3.011 -4.550) 6.233 19.222 ( 0.835 0.976 -0.034) 1.285 19.412 ( 3.004 -8.391 -0.828) 8.951 ======================= Grid point 269 (46/120) ======================= q-point: ( 0.27 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 4.661 3.452 8.424) 10.228 1.574 ( 8.556 11.074 2.343) 14.189 2.008 ( 0.558 -3.589 -0.525) 3.670 2.279 ( 0.405 -1.569 0.225) 1.636 2.623 ( -6.452 -4.847 3.115) 8.650 3.864 ( 38.019 17.535 0.053) 41.868 4.007 ( -5.272 -3.560 3.302) 7.167 5.574 ( -0.953 -3.832 3.155) 5.054 5.911 ( 5.646 5.197 -6.361) 9.967 7.166 ( -1.061 5.646 0.768) 5.796 7.618 ( -9.892 -8.182 -4.922) 13.749 8.073 ( -14.051 -23.358 -3.345) 27.463 8.232 ( -16.706 5.236 0.543) 17.516 9.435 ( 4.469 7.780 1.068) 9.035 9.808 ( 12.902 3.925 -0.941) 13.519 14.836 ( -2.518 6.028 0.106) 6.534 14.881 ( 5.139 12.063 5.337) 14.157 15.163 ( 3.979 6.401 3.130) 8.161 15.248 ( 6.122 -2.868 0.741) 6.801 16.002 ( 4.407 2.368 -1.294) 5.168 16.702 ( 4.366 9.825 12.809) 16.723 17.384 ( -5.824 -5.716 1.861) 8.370 17.871 ( -15.878 2.216 -15.333) 22.184 18.793 ( 4.227 -11.251 -5.934) 13.403 19.140 ( -0.363 -0.698 -0.321) 0.850 19.202 ( -0.112 -4.671 0.844) 4.748 19.428 ( 5.690 -4.301 -4.803) 8.599 ======================= Grid point 270 (47/120) ======================= q-point: ( 0.36 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 7.058 2.745 2.380) 7.938 1.760 ( 3.324 4.995 -2.572) 6.528 1.967 ( -0.643 -3.311 0.747) 3.455 2.159 ( -6.225 -6.817 0.525) 9.247 2.694 ( 11.065 5.261 0.203) 12.254 3.733 ( -12.621 -9.206 2.508) 15.822 4.767 ( 38.737 19.762 -1.956) 43.530 5.544 ( 1.530 -3.770 4.691) 6.209 6.065 ( 5.439 4.974 -5.456) 9.170 7.157 ( -7.768 2.549 -3.779) 9.006 7.407 ( -6.939 -3.825 -1.332) 8.034 7.555 ( -18.208 -16.988 -4.177) 25.250 8.027 ( -10.982 -0.530 1.143) 11.054 9.567 ( 2.356 6.847 1.683) 7.434 10.014 ( 7.903 1.997 0.414) 8.162 14.831 ( -1.043 1.304 0.804) 1.853 15.095 ( 3.479 9.517 5.384) 11.475 15.262 ( -1.072 6.676 5.656) 8.815 15.346 ( 6.925 7.919 -9.495) 14.171 16.106 ( 1.639 3.029 -4.442) 5.621 16.714 ( -8.871 3.733 4.663) 10.694 17.214 ( -5.689 -6.565 2.480) 9.034 17.810 ( 3.125 5.712 -6.412) 9.138 18.737 ( 1.841 -11.142 -5.904) 12.743 19.068 ( -1.325 -7.521 5.616) 9.479 19.175 ( 1.355 -3.985 -2.616) 4.956 19.488 ( 4.417 -1.988 -5.850) 7.595 ======================= Grid point 271 (48/120) ======================= q-point: ( 0.45 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 6.387 1.635 -0.172) 6.595 1.788 ( -2.563 0.547 -7.355) 7.808 1.948 ( 2.094 -2.105 2.527) 3.899 2.009 ( -3.251 -5.668 1.577) 6.721 3.007 ( 16.253 7.944 -1.009) 18.119 3.394 ( -14.824 -10.833 1.753) 18.444 5.530 ( 16.406 5.731 1.570) 17.449 5.551 ( 14.997 4.424 0.867) 15.660 6.103 ( -6.228 -2.537 -4.566) 8.129 6.960 ( -8.675 -4.592 -7.079) 12.102 7.096 ( -12.245 -2.197 -4.666) 13.287 7.452 ( 1.989 1.237 1.457) 2.759 7.865 ( -6.599 0.457 1.293) 6.740 9.642 ( -0.779 5.272 2.151) 5.747 10.117 ( 3.122 -0.132 0.840) 3.236 14.829 ( -0.041 -0.054 1.291) 1.293 15.165 ( 0.220 1.507 0.204) 1.537 15.283 ( -3.905 7.527 11.588) 14.359 15.647 ( 10.096 19.222 -14.202) 25.944 15.994 ( -17.721 1.763 -10.975) 20.919 16.655 ( 2.032 -1.645 -0.549) 2.671 17.076 ( -3.597 -3.683 4.358) 6.745 17.967 ( 5.531 3.812 1.979) 7.003 18.644 ( 0.768 -9.532 -5.103) 10.840 18.996 ( 3.238 -9.447 4.888) 11.119 19.161 ( 1.543 -3.528 -1.977) 4.329 19.528 ( 2.396 -2.000 -6.080) 6.834 ======================= Grid point 278 (49/120) ======================= q-point: ( 0.09 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 4.168 7.219 14.453) 16.685 1.410 ( 6.611 11.451 13.653) 19.006 1.904 ( 8.298 14.373 10.550) 19.666 2.125 ( -0.495 -0.858 -4.336) 4.448 2.779 ( 15.167 26.270 -0.028) 30.334 3.072 ( -12.968 -22.461 5.713) 26.558 4.182 ( -2.506 -4.340 3.350) 6.028 5.666 ( -2.539 -4.399 -2.288) 5.571 5.778 ( 2.189 3.792 -7.489) 8.675 7.144 ( 1.686 2.920 5.761) 6.675 7.911 ( -5.496 -9.519 -6.404) 12.721 8.273 ( -7.327 -12.690 0.932) 14.683 8.908 ( 0.121 0.209 -4.823) 4.829 9.043 ( -1.460 -2.529 1.818) 3.440 9.441 ( 11.234 19.458 -2.725) 22.633 14.757 ( 6.028 10.441 0.012) 12.056 14.890 ( 2.748 4.760 6.333) 8.386 14.935 ( 1.227 2.125 13.105) 13.332 15.047 ( 4.223 7.314 0.265) 8.449 15.927 ( -0.333 -0.577 1.782) 1.902 16.403 ( 9.056 15.686 6.028) 19.089 17.510 ( -2.170 -3.759 2.085) 4.815 18.565 ( -5.698 -9.870 -8.519) 14.229 18.620 ( -4.101 -7.103 -8.704) 11.960 19.079 ( 1.916 3.319 -7.395) 8.329 19.226 ( 1.701 2.947 -0.943) 3.531 19.324 ( -4.487 -7.772 4.239) 9.925 ======================= Grid point 279 (50/120) ======================= q-point: ( 0.18 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 3.262 6.092 9.401) 11.668 1.582 ( 3.856 7.915 7.154) 11.344 2.051 ( -2.988 8.453 0.025) 8.966 2.220 ( 7.205 1.984 -0.359) 7.482 2.684 ( -9.909 -13.375 3.232) 16.956 3.460 ( 30.859 27.818 0.120) 41.547 4.062 ( -5.482 -6.346 3.554) 9.108 5.561 ( -2.890 -5.557 1.457) 6.431 5.879 ( 4.207 5.563 -6.692) 9.666 7.223 ( 1.718 6.384 3.042) 7.277 7.689 ( -8.619 -10.400 -6.122) 14.829 7.979 ( -7.897 -21.321 -0.726) 22.748 8.695 ( -22.792 9.228 -1.947) 24.666 9.173 ( 17.648 -11.835 0.409) 21.253 9.784 ( 7.693 17.036 -0.822) 18.711 14.831 ( -1.479 -5.711 0.776) 5.950 14.974 ( 4.916 15.768 -5.573) 17.431 15.127 ( 6.502 8.771 11.142) 15.600 15.226 ( 5.065 10.828 2.829) 12.284 15.942 ( 2.750 -0.134 1.567) 3.168 16.699 ( 8.013 12.917 13.753) 20.499 17.409 ( -4.124 -6.119 2.160) 7.689 18.222 ( -21.436 -1.058 -14.552) 25.931 18.577 ( 6.409 -13.954 -8.830) 17.714 19.120 ( 1.564 -1.029 -9.302) 9.488 19.173 ( -3.726 -7.483 7.287) 11.089 19.306 ( 4.554 0.394 -1.452) 4.796 ======================= Grid point 280 (51/120) ======================= q-point: ( 0.27 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 2.661 5.918 3.151) 7.213 1.713 ( 6.096 0.887 2.718) 6.733 2.051 ( -5.628 5.483 -1.072) 7.929 2.239 ( -7.151 1.048 -0.078) 7.228 2.585 ( 6.752 1.944 1.255) 7.137 3.844 ( -9.885 -7.566 2.748) 12.748 4.312 ( 36.435 21.865 -1.987) 42.538 5.482 ( 0.037 -5.252 2.882) 5.991 6.022 ( 5.427 5.904 -5.609) 9.786 7.295 ( -4.191 4.197 -1.990) 6.256 7.451 ( -5.220 -5.432 -1.102) 7.614 7.585 ( -11.058 -24.423 -2.935) 26.970 8.390 ( -22.765 8.909 -0.763) 24.458 9.346 ( 15.947 -12.171 0.803) 20.077 10.038 ( 3.614 14.949 0.725) 15.397 14.756 ( 1.141 -8.635 1.012) 8.769 15.217 ( 1.752 17.166 0.656) 17.267 15.308 ( 5.410 10.424 -8.134) 14.286 15.402 ( 1.275 14.444 8.300) 16.707 16.029 ( 7.191 0.498 -0.028) 7.209 16.873 ( -1.597 6.771 15.455) 16.949 17.246 ( -6.391 -8.124 1.847) 10.500 17.927 ( -11.273 3.257 -15.484) 19.428 18.546 ( 5.644 -13.460 -9.455) 17.390 19.022 ( -3.296 -10.694 8.429) 14.009 19.124 ( 0.800 -1.949 -6.469) 6.803 19.388 ( 4.874 -0.678 -3.584) 6.088 ======================= Grid point 281 (52/120) ======================= q-point: ( 0.36 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 4.487 3.626 -0.532) 5.794 1.790 ( 2.812 -1.733 -0.758) 3.389 1.955 ( -4.720 -4.115 -1.710) 6.491 2.147 ( -9.605 11.353 1.729) 14.971 2.835 ( 13.755 9.235 -0.108) 16.568 3.550 ( -14.489 -8.973 1.667) 17.124 5.116 ( 34.964 14.862 -3.201) 38.126 5.453 ( 2.345 -5.177 3.231) 6.537 6.133 ( 0.852 1.007 -4.272) 4.471 7.042 ( -11.535 -13.604 -5.608) 18.697 7.199 ( -9.433 -13.754 -5.389) 17.527 7.519 ( 1.313 12.950 3.041) 13.367 8.111 ( -18.281 6.450 0.239) 19.387 9.466 ( 12.609 -13.344 1.386) 18.411 10.198 ( -1.008 12.905 1.394) 13.019 14.704 ( 3.596 -9.904 0.910) 10.576 15.332 ( -4.786 14.618 2.086) 15.523 15.435 ( -3.124 9.900 3.843) 11.070 15.662 ( 8.969 18.503 -8.254) 22.157 16.162 ( 3.968 3.472 -3.707) 6.445 16.731 ( -14.242 -1.914 0.950) 14.402 17.087 ( -3.377 -6.087 4.410) 8.240 17.931 ( 3.657 6.068 -3.623) 7.958 18.496 ( 3.505 -12.783 -9.912) 16.551 18.865 ( -0.728 -12.326 9.038) 15.302 19.117 ( 0.525 -1.629 -3.536) 3.928 19.450 ( 3.941 -2.350 -5.393) 7.081 ======================= Grid point 282 (53/120) ======================= q-point: ( 0.45 0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.518 -0.898 2.421) 2.634 1.761 ( 0.713 -1.234 -9.282) 9.391 1.894 ( 1.969 -3.411 1.296) 4.146 2.122 ( -8.826 15.288 2.346) 17.808 3.187 ( -2.190 3.793 -3.521) 5.619 3.196 ( 1.507 -2.609 4.099) 5.087 5.448 ( 3.065 -5.308 3.419) 7.018 5.629 ( 4.369 -7.568 -3.058) 9.258 6.036 ( 0.606 -1.050 -3.453) 3.660 6.862 ( 2.474 -4.285 -7.529) 9.010 7.033 ( 1.672 -2.896 -4.864) 5.903 7.628 ( -7.921 13.719 2.875) 16.100 7.954 ( -4.864 8.425 0.691) 9.752 9.508 ( 8.812 -15.264 1.655) 17.703 10.253 ( -5.968 10.336 1.565) 12.037 14.686 ( 5.569 -9.646 0.831) 11.169 15.363 ( -8.181 14.170 -0.218) 16.364 15.451 ( -5.230 9.058 8.046) 13.196 15.908 ( -1.973 3.417 -7.169) 8.183 16.172 ( -10.219 17.700 -13.248) 24.356 16.565 ( 3.222 -5.580 -0.709) 6.482 17.020 ( 1.258 -2.179 4.379) 5.050 18.027 ( -1.079 1.869 2.816) 3.548 18.443 ( 5.940 -10.288 -10.069) 15.573 18.793 ( 6.148 -10.649 8.176) 14.766 19.113 ( 0.653 -1.130 -2.164) 2.527 19.472 ( 2.172 -3.762 -6.101) 7.489 ======================= Grid point 291 (54/120) ======================= q-point: ( 0.18 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.123 7.141 3.810) 9.083 1.635 ( 0.330 0.572 2.533) 2.617 2.130 ( -2.215 -3.836 -0.671) 4.480 2.387 ( 7.897 13.679 0.449) 15.801 2.491 ( -2.418 -4.189 2.548) 5.467 3.908 ( -5.339 -9.247 3.570) 11.259 4.069 ( 19.099 33.081 -3.404) 38.350 5.453 ( -2.781 -4.817 2.119) 5.953 6.004 ( 3.975 6.886 -5.740) 9.806 7.360 ( 2.890 5.005 -0.550) 5.805 7.474 ( -4.999 -8.659 -2.609) 10.333 7.541 ( -13.289 -23.017 -1.744) 26.635 8.852 ( -1.593 -2.759 -5.146) 6.052 8.925 ( -2.239 -3.878 4.103) 6.073 10.087 ( 7.823 13.551 0.982) 15.678 14.698 ( -3.844 -6.658 1.130) 7.770 15.278 ( 8.728 15.118 -17.233) 24.530 15.333 ( 6.076 10.523 13.049) 17.830 15.479 ( 8.053 13.949 2.623) 16.319 15.950 ( 0.789 1.366 2.825) 3.235 16.912 ( 4.606 7.979 19.594) 21.652 17.261 ( -5.166 -8.947 2.205) 10.564 18.137 ( -5.250 -9.093 -21.074) 23.544 18.350 ( -3.514 -6.086 -8.380) 10.937 18.989 ( -5.466 -9.468 7.007) 12.985 19.110 ( -0.430 -0.744 -7.705) 7.753 19.339 ( 1.128 1.953 -0.552) 2.322 ======================= Grid point 292 (55/120) ======================= q-point: ( 0.27 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.329 4.060 -0.216) 4.079 1.698 ( 5.709 -0.054 -0.067) 5.710 1.989 ( -5.483 -7.361 -2.552) 9.527 2.443 ( -6.719 13.168 3.458) 15.182 2.711 ( 12.451 10.570 1.161) 16.374 3.688 ( -10.327 -8.231 2.809) 13.501 4.736 ( 26.773 21.257 -5.212) 34.580 5.381 ( -0.203 -4.731 1.833) 5.078 6.122 ( 2.384 3.179 -4.194) 5.777 7.082 ( -12.827 -20.461 -3.936) 24.468 7.204 ( -6.961 -12.117 -6.443) 15.388 7.595 ( 5.641 13.822 3.961) 15.445 8.559 ( -24.122 7.802 -0.673) 25.362 9.049 ( 17.354 -17.270 0.751) 24.495 10.310 ( 3.289 12.019 1.863) 12.599 14.587 ( -0.692 -7.655 0.867) 7.735 15.506 ( 1.233 11.705 8.348) 14.430 15.544 ( 4.429 12.641 -14.019) 19.389 15.744 ( 3.272 19.082 0.042) 19.361 16.030 ( 9.436 -0.119 1.428) 9.544 16.955 ( -8.571 1.117 10.665) 13.728 17.073 ( -3.638 -8.942 4.287) 10.563 17.985 ( -4.462 2.293 -15.803) 16.581 18.297 ( 4.500 -10.501 -9.641) 14.949 18.788 ( -4.927 -12.772 10.084) 17.003 19.108 ( 0.211 0.557 -6.691) 6.718 19.371 ( 2.212 -1.379 -1.942) 3.251 ======================= Grid point 293 (56/120) ======================= q-point: ( 0.36 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 2.973 1.411 -0.685) 3.362 1.748 ( 0.312 -2.323 -4.607) 5.169 1.856 ( -1.908 -3.890 -1.242) 4.507 2.465 ( -9.195 17.733 3.983) 20.368 3.030 ( 13.160 8.330 2.008) 15.704 3.404 ( -14.463 -4.470 0.697) 15.154 5.335 ( 14.158 2.600 -1.314) 14.455 5.360 ( 11.500 1.244 -1.671) 11.687 6.053 ( -7.019 -9.919 -2.458) 12.397 6.801 ( -1.786 -7.126 -6.803) 10.013 7.000 ( -3.823 -7.927 -6.030) 10.669 7.850 ( 3.459 19.631 3.692) 20.272 8.235 ( -20.107 5.669 0.072) 20.891 9.136 ( 13.792 -19.280 1.043) 23.729 10.429 ( -2.002 9.695 2.239) 10.149 14.528 ( 2.460 -7.317 0.572) 7.741 15.606 ( -2.620 11.402 4.458) 12.520 15.641 ( -5.673 11.104 -1.961) 12.622 15.937 ( 2.324 7.748 -3.854) 8.960 16.290 ( 14.377 9.909 -3.903) 17.892 16.661 ( -19.239 -4.372 -3.601) 20.055 16.987 ( -0.821 -3.749 2.440) 4.547 18.034 ( 3.321 4.181 -1.777) 5.628 18.261 ( 3.147 -10.207 -11.674) 15.823 18.608 ( 0.720 -13.202 10.690) 17.003 19.118 ( -0.631 1.820 -3.375) 3.886 19.387 ( 2.801 -4.087 -4.122) 6.445 ======================= Grid point 299 (57/120) ======================= q-point: (-0.09 0.18 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -7.053 12.216 11.113) 17.957 1.290 ( -1.577 2.732 18.729) 18.993 1.962 ( -6.380 11.050 6.290) 14.226 2.284 ( -0.284 0.492 -0.660) 0.871 2.794 ( -18.670 32.337 3.113) 37.469 3.097 ( 12.124 -20.999 3.927) 24.563 4.195 ( 2.035 -3.525 3.463) 5.345 5.677 ( 1.385 -2.398 -1.448) 3.125 5.743 ( -1.500 2.598 -7.585) 8.156 7.103 ( 0.397 -0.688 4.906) 4.970 7.922 ( 4.718 -8.171 -6.183) 11.281 8.403 ( 6.568 -11.376 1.435) 13.213 8.886 ( 2.458 -4.257 0.907) 4.998 8.901 ( -0.786 1.362 -5.674) 5.888 9.500 ( -10.716 18.560 -1.960) 21.520 14.523 ( -0.953 1.650 14.824) 14.946 14.834 ( 1.824 -3.159 1.171) 3.831 14.941 ( -4.309 7.463 7.064) 11.143 15.200 ( -6.291 10.897 -0.118) 12.583 15.960 ( 1.135 -1.966 0.320) 2.292 16.296 ( -7.256 12.567 6.268) 15.807 17.532 ( 1.312 -2.273 2.267) 3.469 18.230 ( 12.312 -21.326 -11.893) 27.346 18.976 ( -3.038 5.263 -3.938) 7.241 19.017 ( -1.199 2.076 -3.949) 4.620 19.209 ( -1.027 1.778 -1.079) 2.320 19.508 ( -0.915 1.585 -1.717) 2.510 ======================= Grid point 303 (58/120) ======================= q-point: ( 0.27 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.531 0.919 -0.330) 1.111 1.725 ( 0.390 0.675 -4.490) 4.557 1.858 ( -2.792 -4.835 -2.204) 6.002 2.670 ( 5.680 9.839 4.204) 12.113 2.933 ( 5.612 9.720 2.707) 11.545 3.525 ( -4.549 -7.879 2.421) 9.415 5.158 ( 12.444 21.554 -5.920) 25.583 5.304 ( -1.558 -2.698 0.724) 3.199 6.063 ( -6.551 -11.346 -2.152) 13.277 6.781 ( -3.924 -6.797 -6.533) 10.212 6.996 ( -5.403 -9.359 -6.484) 12.602 7.911 ( 10.303 17.846 3.631) 20.924 8.674 ( -3.721 -6.445 -4.099) 8.496 8.693 ( -4.854 -8.407 5.109) 10.970 10.495 ( 3.803 6.586 2.472) 7.997 14.470 ( -2.368 -4.101 0.517) 4.764 15.692 ( 4.095 7.093 5.285) 9.747 15.746 ( 3.979 6.892 -8.736) 11.817 16.007 ( 0.812 1.407 3.162) 3.555 16.148 ( 10.468 18.132 -3.708) 21.263 16.831 ( -7.036 -12.187 2.283) 14.257 16.976 ( -1.287 -2.230 -2.861) 3.849 18.025 ( 1.615 2.798 -10.749) 11.224 18.168 ( -1.767 -3.061 -5.213) 6.298 18.535 ( -6.968 -12.068 10.697) 17.568 19.143 ( 1.506 2.608 -5.095) 5.918 19.331 ( -1.451 -2.513 -1.964) 3.505 ======================= Grid point 304 (59/120) ======================= q-point: ( 0.36 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.017 -0.029 -1.348) 1.348 1.704 ( 0.931 -1.612 -4.730) 5.084 1.819 ( 0.257 -0.445 -2.136) 2.197 2.784 ( -7.792 13.496 4.083) 16.110 3.038 ( 3.878 -6.717 3.883) 8.674 3.428 ( -2.361 4.089 1.523) 4.961 5.271 ( 1.304 -2.258 0.550) 2.665 5.496 ( -3.731 6.462 -4.790) 8.867 5.809 ( 6.509 -11.274 -2.912) 13.340 6.766 ( -0.968 1.676 -7.160) 7.417 6.872 ( 2.810 -4.867 -6.568) 8.644 8.239 ( -8.406 14.560 4.965) 17.530 8.342 ( -5.562 9.634 -0.795) 11.152 8.728 ( 12.516 -21.678 0.718) 25.042 10.561 ( -2.016 3.491 2.687) 4.844 14.429 ( 1.490 -2.580 0.358) 3.001 15.769 ( -3.064 5.306 1.525) 6.314 15.806 ( -2.084 3.609 -2.857) 5.053 16.019 ( -1.283 2.223 2.328) 3.465 16.447 ( -1.924 3.332 1.187) 4.027 16.600 ( 0.483 -0.836 -1.903) 2.134 16.947 ( 0.299 -0.518 -14.766) 14.778 18.092 ( -0.754 1.306 -0.538) 1.601 18.129 ( 1.471 -2.548 -6.807) 7.416 18.386 ( 4.379 -7.584 9.810) 13.150 19.181 ( -2.299 3.982 -3.167) 5.583 19.295 ( 2.712 -4.698 -3.129) 6.262 ======================= Grid point 310 (60/120) ======================= q-point: (-0.18 0.27 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -4.429 6.299 10.735) 13.211 1.402 ( -12.165 10.789 3.901) 16.722 2.096 ( 0.479 5.616 0.723) 5.683 2.300 ( -0.661 2.911 0.357) 3.006 2.715 ( 10.161 -11.547 5.873) 16.465 3.562 ( -29.497 32.295 -0.135) 43.739 4.088 ( 5.812 -5.022 3.743) 8.545 5.627 ( 2.175 -0.788 2.862) 3.680 5.828 ( -4.958 3.267 -6.836) 9.055 7.095 ( -0.837 -1.855 0.744) 2.167 7.738 ( 7.943 -6.870 -5.174) 11.707 8.107 ( 8.910 -21.605 -0.785) 23.384 8.596 ( 24.278 9.191 -1.040) 25.981 9.088 ( -18.563 -14.017 -0.947) 23.280 9.832 ( -7.248 16.710 -0.656) 18.226 14.612 ( -7.976 -0.765 8.958) 12.018 14.789 ( -1.091 -3.394 3.285) 4.848 15.069 ( -4.627 3.025 2.936) 6.259 15.397 ( -0.267 14.917 -1.636) 15.009 15.937 ( -2.594 -2.380 -0.758) 3.602 16.539 ( -8.652 4.729 10.247) 14.220 17.462 ( 4.131 -2.942 2.500) 5.654 17.842 ( 8.567 -16.243 -15.541) 24.058 18.982 ( 5.547 5.983 -3.547) 8.897 19.108 ( -4.448 0.227 -2.235) 4.984 19.241 ( -0.463 1.619 -0.339) 1.718 19.525 ( 1.795 4.046 -3.573) 5.689 ======================= Grid point 322 (61/120) ======================= q-point: (-0.27 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -4.791 8.040 2.673) 9.733 1.676 ( -7.451 6.885 -0.655) 10.166 2.081 ( 5.143 3.479 1.528) 6.394 2.303 ( 6.602 3.685 1.455) 7.700 2.614 ( -5.654 3.032 1.760) 6.653 3.891 ( 10.798 -6.223 3.416) 12.923 4.394 ( -33.605 25.833 -1.913) 42.430 5.597 ( 1.380 1.004 5.108) 5.386 5.967 ( -6.929 3.355 -5.927) 9.716 7.082 ( -0.695 -4.907 -3.118) 5.855 7.526 ( 10.687 -6.210 -2.979) 12.714 7.696 ( 11.118 -21.459 -2.296) 24.277 8.275 ( 22.085 6.917 -0.451) 23.147 9.245 ( -16.716 -15.290 0.393) 22.658 10.071 ( -3.203 13.737 0.805) 14.128 14.694 ( -5.066 -7.566 1.261) 9.192 14.876 ( -11.485 0.449 7.774) 13.876 15.161 ( -4.459 0.334 -2.126) 4.951 15.467 ( 7.865 13.675 -1.774) 15.874 16.017 ( -6.630 -1.518 -3.698) 7.741 16.606 ( -1.903 -8.589 5.946) 10.618 17.329 ( 7.293 -3.366 2.286) 8.351 17.720 ( -4.017 0.296 -9.607) 10.418 18.921 ( 6.838 2.551 -3.264) 7.995 19.149 ( 0.526 1.889 0.063) 1.962 19.251 ( 1.726 2.728 -0.234) 3.236 19.537 ( 1.074 3.631 -4.302) 5.731 ======================= Grid point 323 (62/120) ======================= q-point: (-0.18 0.36 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -4.914 8.511 0.802) 9.861 1.644 ( -6.250 10.826 2.583) 12.765 2.148 ( 0.626 -1.085 1.886) 2.264 2.410 ( -5.375 9.309 0.831) 10.781 2.563 ( 1.365 -2.365 3.861) 4.729 3.957 ( 4.923 -8.526 3.881) 10.583 4.217 ( -19.405 33.611 -2.487) 38.890 5.613 ( 0.312 -0.540 5.026) 5.065 5.920 ( -3.335 5.776 -6.063) 9.013 7.052 ( 1.630 -2.823 -3.438) 4.737 7.613 ( 2.899 -5.021 -2.517) 6.320 7.650 ( 14.104 -24.428 -1.912) 28.272 8.760 ( 4.107 -7.113 -5.239) 9.742 8.773 ( 1.851 -3.205 3.813) 5.314 10.115 ( -6.882 11.920 1.001) 13.801 14.602 ( 0.915 -1.585 2.470) 3.075 14.778 ( -2.084 3.610 7.333) 8.435 15.125 ( -1.534 2.657 -1.767) 3.541 15.678 ( -6.228 10.787 -4.342) 13.191 15.891 ( 0.192 -0.332 -0.101) 0.396 16.538 ( 3.136 -5.431 5.508) 8.347 17.378 ( 3.405 -5.898 3.126) 7.493 17.685 ( -0.971 1.681 -11.506) 11.669 18.998 ( 2.158 -3.737 -2.402) 4.939 19.156 ( -2.223 3.850 -1.638) 4.738 19.278 ( -1.067 1.848 -0.212) 2.144 19.570 ( -0.484 0.838 -3.170) 3.314 ======================= Grid point 334 (63/120) ======================= q-point: (-0.36 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -3.901 6.246 -2.109) 7.661 1.779 ( -0.677 1.164 -3.606) 3.849 2.033 ( 3.406 3.218 2.785) 5.452 2.212 ( 10.689 10.417 1.939) 15.052 2.872 ( -13.467 11.134 0.030) 17.474 3.602 ( 15.213 -6.911 2.440) 16.886 5.188 ( -32.930 18.133 -3.289) 37.736 5.595 ( 0.739 1.868 5.968) 6.297 6.089 ( -3.199 -0.471 -5.060) 6.005 6.991 ( 3.639 -8.629 -5.226) 10.724 7.127 ( 13.863 -20.156 -5.890) 25.162 7.533 ( 2.392 5.844 1.025) 6.397 7.992 ( 15.752 2.052 -0.060) 15.885 9.351 ( -14.115 -17.006 1.177) 22.132 10.213 ( 0.773 10.959 1.425) 11.078 14.689 ( -5.082 -9.644 0.823) 10.933 15.090 ( -10.638 -1.296 13.799) 17.472 15.250 ( -5.767 2.129 -10.890) 12.505 15.457 ( 4.349 9.160 -5.980) 11.771 15.975 ( 5.727 -11.850 -9.237) 16.080 16.605 ( -6.774 -0.866 1.879) 7.083 17.161 ( 7.638 -4.346 3.540) 9.474 17.896 ( -8.125 7.970 -1.141) 11.438 18.801 ( 7.498 -0.818 -2.618) 7.984 19.148 ( 3.382 5.499 1.536) 6.636 19.241 ( 2.861 3.428 -1.332) 4.659 19.557 ( 0.099 1.968 -4.086) 4.536 ======================= Grid point 335 (64/120) ======================= q-point: (-0.27 0.45 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -3.289 6.343 -4.874) 8.650 1.777 ( -1.806 2.819 0.992) 3.492 2.097 ( 2.441 -0.752 2.688) 3.708 2.518 ( 7.032 16.551 3.017) 18.234 2.745 ( -14.688 10.034 1.502) 17.851 3.749 ( 9.808 -8.283 3.367) 13.272 4.870 ( -24.540 22.335 -4.599) 33.500 5.610 ( -0.018 0.328 5.457) 5.467 6.032 ( -3.686 2.600 -4.788) 6.578 6.965 ( 3.089 -6.915 -6.225) 9.803 7.156 ( 14.549 -23.696 -4.016) 28.094 7.590 ( -1.128 4.355 0.260) 4.507 8.394 ( 24.772 4.801 -1.468) 25.276 8.896 ( -17.073 -19.430 0.719) 25.875 10.301 ( -2.678 9.448 1.837) 9.990 14.553 ( -0.666 -6.498 0.810) 6.582 14.920 ( -8.567 4.416 5.747) 11.221 15.177 ( -2.756 1.183 -7.022) 7.635 15.711 ( 9.421 7.249 -5.823) 13.237 15.936 ( -1.039 -4.785 -3.902) 6.261 16.460 ( -5.204 -3.076 3.071) 6.780 17.228 ( 6.413 -7.211 3.630) 10.311 17.855 ( -8.007 11.725 -4.108) 14.780 18.880 ( 5.643 -5.844 -2.368) 8.462 19.220 ( -0.482 4.377 -0.852) 4.486 19.305 ( 0.644 2.564 -0.424) 2.678 19.573 ( 0.423 0.261 -1.865) 1.930 ======================= Grid point 344 (65/120) ======================= q-point: (-0.45 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.067 0.115 -10.764) 10.765 1.757 ( 0.930 1.611 2.929) 3.470 2.027 ( 1.602 2.774 2.006) 3.780 2.166 ( 9.757 16.900 2.944) 19.735 3.193 ( 2.081 3.605 -3.155) 5.223 3.291 ( 0.955 1.655 4.616) 4.996 5.598 ( 1.034 1.792 6.185) 6.521 5.723 ( -2.417 -4.187 -3.034) 5.708 6.000 ( -1.248 -2.162 -4.605) 5.238 6.844 ( -3.151 -5.457 -8.546) 10.617 6.924 ( -3.621 -6.272 -4.483) 8.517 7.580 ( 6.091 10.549 1.893) 12.327 7.836 ( 1.523 2.638 -0.198) 3.053 9.388 ( -10.941 -18.950 1.465) 21.931 10.260 ( 4.859 8.416 1.561) 9.843 14.685 ( -5.855 -10.141 0.811) 11.737 15.162 ( -2.775 -4.807 13.721) 14.801 15.330 ( 6.535 11.320 -1.337) 13.139 15.543 ( -6.723 -11.644 -23.943) 27.460 15.762 ( -1.155 -2.000 -5.866) 6.304 16.707 ( 0.265 0.459 0.483) 0.717 17.042 ( -0.886 -1.535 4.810) 5.126 18.031 ( 1.977 3.424 1.835) 4.359 18.712 ( 0.969 1.678 -2.640) 3.274 19.147 ( 4.208 7.288 1.961) 8.641 19.231 ( 2.184 3.783 -1.932) 4.776 19.566 ( 0.507 0.878 -3.896) 4.026 ======================= Grid point 346 (66/120) ======================= q-point: (-0.36 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -1.449 2.327 -5.913) 6.517 1.791 ( 1.040 0.252 0.230) 1.094 2.073 ( 1.209 1.530 1.410) 2.406 2.556 ( 10.729 21.250 3.836) 24.112 3.114 ( -14.474 12.387 1.251) 19.092 3.462 ( 14.690 -7.247 2.247) 16.534 5.461 ( -23.464 9.646 -4.475) 25.761 5.616 ( -0.113 0.346 5.324) 5.336 6.011 ( 5.179 -8.075 -3.340) 10.158 6.780 ( 5.034 -11.458 -7.558) 14.620 6.843 ( 1.573 -7.272 -6.383) 9.803 7.736 ( -4.444 14.354 1.273) 15.080 8.038 ( 20.092 2.092 -1.336) 20.245 8.964 ( -14.484 -21.563 1.055) 25.997 10.393 ( 1.380 7.056 2.110) 7.493 14.514 ( -3.077 -7.512 0.517) 8.134 15.085 ( -4.443 1.456 8.843) 10.003 15.285 ( -10.314 1.200 -17.052) 19.965 15.544 ( 9.951 -6.943 -10.947) 16.342 15.848 ( 7.023 5.750 -0.042) 9.077 16.634 ( -9.730 2.742 3.102) 10.575 17.038 ( 5.494 -7.927 4.424) 10.611 18.092 ( -3.589 11.291 -0.902) 11.882 18.724 ( 3.565 -6.407 -2.626) 7.788 19.262 ( 1.315 5.424 0.039) 5.581 19.304 ( 2.367 2.784 -1.449) 3.931 19.569 ( -0.177 -0.507 -0.835) 0.993 ======================= Grid point 347 (67/120) ======================= q-point: (-0.27 0.55 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -1.306 2.262 -5.647) 6.222 1.800 ( 0.029 -0.050 0.927) 0.929 2.092 ( -0.145 0.251 1.191) 1.226 2.821 ( -6.805 11.787 4.188) 14.241 3.000 ( -8.640 14.964 2.394) 17.444 3.564 ( 5.993 -10.380 2.868) 12.324 5.282 ( -11.461 19.850 -5.744) 23.630 5.615 ( -0.138 0.240 4.576) 4.584 6.011 ( 3.954 -6.849 -2.639) 8.338 6.769 ( 7.388 -12.797 -6.827) 16.277 6.823 ( 4.044 -7.004 -7.217) 10.840 7.762 ( -7.307 12.656 0.022) 14.614 8.411 ( 5.500 -9.526 -4.823) 12.011 8.552 ( 4.908 -8.502 4.655) 10.865 10.440 ( -2.704 4.683 2.317) 5.883 14.449 ( 2.210 -3.829 0.448) 4.444 15.048 ( -4.687 8.119 0.949) 9.422 15.205 ( -1.020 1.767 -10.426) 10.624 15.586 ( 7.912 -13.704 -12.805) 20.356 15.980 ( -2.442 4.229 2.499) 5.486 16.529 ( -5.219 9.040 4.355) 11.311 17.049 ( 6.125 -10.609 4.291) 12.979 18.119 ( -8.021 13.893 -2.475) 16.232 18.720 ( 5.606 -9.710 -2.719) 11.537 19.297 ( -1.889 3.272 -1.274) 3.988 19.344 ( -0.673 1.165 -0.860) 1.597 19.562 ( 0.547 -0.948 0.784) 1.347 ======================= Grid point 358 (68/120) ======================= q-point: (-0.36 0.64 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.393 0.680 -3.836) 3.915 1.792 ( -0.112 -0.195 -0.122) 0.256 2.097 ( 0.405 0.701 0.067) 0.812 2.943 ( 9.385 16.256 4.137) 19.221 3.223 ( -3.657 -6.334 4.290) 8.480 3.393 ( 1.912 3.312 1.278) 4.032 5.586 ( 2.112 3.659 -4.562) 6.218 5.617 ( 0.001 0.002 4.049) 4.049 5.818 ( -4.810 -8.332 -2.935) 10.058 6.674 ( -0.345 -0.597 -8.223) 8.252 6.732 ( -2.268 -3.929 -7.348) 8.635 8.040 ( 3.816 6.610 -6.507) 10.030 8.105 ( 7.899 13.682 4.208) 16.350 8.527 ( -12.669 -21.944 2.071) 25.423 10.486 ( 1.364 2.362 2.451) 3.667 14.410 ( -1.601 -2.773 0.289) 3.215 15.156 ( 3.263 5.651 -0.567) 6.550 15.286 ( -1.704 -2.951 -19.619) 19.913 15.353 ( -3.848 -6.665 -5.162) 9.266 16.019 ( 3.780 6.547 3.206) 8.212 16.696 ( 1.892 3.277 4.256) 5.695 16.877 ( -4.003 -6.933 4.714) 9.290 18.312 ( 5.723 9.913 -2.187) 11.653 18.571 ( -4.706 -8.152 -2.972) 9.871 19.343 ( 0.845 1.463 -1.972) 2.597 19.344 ( 1.218 2.109 -0.902) 2.597 19.550 ( -0.525 -0.910 2.166) 2.407 ======================= Grid point 399 (69/120) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 0.000 17.712) 17.712 1.384 ( 0.000 0.000 17.712) 17.712 2.135 ( 0.000 0.000 -6.065) 6.065 2.135 ( 0.000 0.000 -6.065) 6.065 2.175 ( 0.000 0.000 27.827) 27.827 3.660 ( 0.000 0.000 -9.827) 9.827 4.319 ( 0.000 0.000 2.590) 2.590 5.540 ( 0.000 -0.000 -7.179) 7.179 5.540 ( 0.000 -0.000 -7.179) 7.179 7.317 ( 0.000 0.000 9.329) 9.329 8.042 ( 0.000 0.000 -8.083) 8.083 8.612 ( 0.000 -0.000 3.148) 3.148 8.612 ( 0.000 -0.000 3.148) 3.148 9.052 ( 0.000 0.000 -1.062) 1.062 9.052 ( 0.000 -0.000 -1.062) 1.062 14.820 ( 0.000 0.000 1.294) 1.294 14.820 ( 0.000 0.000 1.294) 1.294 15.112 ( 0.000 0.000 16.662) 16.662 15.112 ( 0.000 -0.000 16.662) 16.662 16.019 ( 0.000 0.000 2.220) 2.220 16.019 ( 0.000 -0.000 2.220) 2.220 17.618 ( 0.000 0.000 1.805) 1.805 18.708 ( 0.000 0.000 -8.035) 8.035 18.708 ( 0.000 -0.000 -8.035) 8.035 18.741 ( 0.000 0.000 -1.868) 1.868 19.132 ( 0.000 -0.000 -1.314) 1.314 19.537 ( 0.000 0.000 1.283) 1.283 ======================= Grid point 400 (70/120) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -2.087 9.587 15.251) 18.134 1.582 ( 8.130 1.870 14.262) 16.523 2.084 ( 1.387 -5.042 1.125) 5.349 2.170 ( 3.662 -2.839 10.038) 11.056 2.379 ( 16.263 13.743 1.134) 21.322 3.443 ( -16.106 -9.928 -4.907) 19.546 4.300 ( -1.651 -1.212 2.716) 3.401 5.560 ( 1.427 1.957 -6.898) 7.311 5.578 ( 2.683 1.170 -6.154) 6.814 7.292 ( -2.322 -0.533 8.821) 9.137 7.932 ( -7.634 -4.536 -6.246) 10.856 8.541 ( -1.495 -9.193 2.346) 9.605 8.728 ( -2.638 4.276 -2.170) 5.473 9.058 ( 2.561 13.166 0.340) 13.417 9.154 ( 11.370 -3.359 -0.882) 11.889 14.792 ( -2.150 3.251 3.723) 5.390 14.906 ( 6.453 -1.663 0.922) 6.727 15.044 ( -1.115 -0.415 12.603) 12.659 15.199 ( 2.974 3.021 14.583) 15.187 15.999 ( -1.238 -1.325 2.034) 2.725 16.171 ( 11.575 9.368 1.628) 14.979 17.601 ( -1.332 -1.140 1.869) 2.563 18.456 ( -20.244 -0.542 -5.867) 21.084 18.714 ( 5.034 -10.512 -6.143) 13.176 18.857 ( 3.943 4.559 -6.884) 9.150 19.157 ( 1.930 1.391 -1.100) 2.622 19.509 ( -1.382 -2.707 2.073) 3.679 ======================= Grid point 401 (71/120) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 0.734 8.386 7.652) 11.376 1.629 ( -2.258 3.141 10.729) 11.406 2.064 ( 1.892 -4.775 4.016) 6.520 2.234 ( 4.731 -0.310 2.935) 5.576 2.845 ( 4.723 -0.124 -8.407) 9.644 3.176 ( 12.411 6.154 7.720) 15.859 4.229 ( -4.512 -3.351 2.955) 6.350 5.609 ( 1.644 0.409 -3.206) 3.626 5.647 ( 4.194 3.026 -5.334) 7.429 7.241 ( -3.784 1.317 6.167) 7.355 7.737 ( -8.526 -6.401 -5.360) 11.933 8.388 ( -2.162 -16.925 1.271) 17.110 8.504 ( -21.211 1.383 -3.110) 21.482 9.281 ( 4.396 11.477 0.594) 12.304 9.443 ( 19.962 4.142 -1.794) 20.466 14.805 ( -1.340 5.215 2.838) 6.086 14.916 ( 0.190 -4.160 6.759) 7.939 15.145 ( 8.852 0.926 0.844) 8.940 15.268 ( 0.870 6.328 11.734) 13.360 15.963 ( -1.893 0.271 0.658) 2.023 16.547 ( 16.863 14.408 3.171) 22.405 17.546 ( -3.034 -2.994 1.966) 4.695 18.032 ( -26.664 -1.367 -5.874) 27.337 18.687 ( 4.957 -12.170 -7.149) 14.960 18.955 ( 4.055 1.405 -7.472) 8.617 19.213 ( 2.174 2.138 -0.505) 3.091 19.448 ( -0.806 -5.421 2.465) 6.009 ======================= Grid point 402 (72/120) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -1.551 0.668 -1.446) 2.223 1.685 ( 1.792 7.634 7.275) 10.697 2.048 ( 1.293 -4.344 3.398) 5.665 2.282 ( 0.049 -2.414 0.880) 2.570 2.634 ( -6.064 -4.892 -2.191) 8.094 3.883 ( 36.824 17.485 1.514) 40.793 4.071 ( -7.909 -4.932 2.650) 9.690 5.626 ( 2.042 -2.445 1.778) 3.648 5.782 ( 6.395 5.305 -5.571) 10.004 7.191 ( -5.493 3.839 1.554) 6.879 7.532 ( -6.972 -6.912 -3.208) 10.328 8.002 ( -19.685 -19.425 -3.211) 27.841 8.240 ( -12.081 0.488 0.186) 12.092 9.457 ( 5.007 7.974 1.048) 9.474 9.788 ( 14.329 4.831 -0.942) 15.150 14.837 ( -1.176 4.544 0.309) 4.704 14.902 ( 1.567 -0.146 0.533) 1.662 15.210 ( 0.953 -2.731 -0.517) 2.938 15.420 ( 4.749 10.787 11.267) 16.305 15.962 ( 0.834 2.382 -2.478) 3.537 16.926 ( 5.774 13.192 9.436) 17.216 17.411 ( -8.285 -5.783 0.511) 10.117 17.647 ( -11.639 1.101 -5.942) 13.115 18.644 ( 4.384 -12.970 -8.105) 15.910 19.021 ( 3.358 -0.814 -7.014) 7.819 19.245 ( -0.592 -0.236 1.420) 1.557 19.393 ( 1.466 -5.397 0.162) 5.595 ======================= Grid point 403 (73/120) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 0.266 1.274 -8.062) 8.166 1.770 ( 0.794 3.627 3.328) 4.986 2.022 ( 0.491 -3.710 3.254) 4.959 2.158 ( -5.450 -6.972 -0.392) 8.858 2.692 ( 9.952 4.748 -0.362) 11.032 3.785 ( -13.514 -9.725 2.351) 16.814 4.728 ( 36.863 19.293 -1.702) 41.641 5.640 ( 3.237 -3.787 4.506) 6.718 5.948 ( 5.756 5.454 -5.546) 9.677 7.085 ( -9.925 -0.795 -2.903) 10.371 7.375 ( -15.769 -3.656 -1.647) 16.271 7.479 ( -9.356 -13.234 -2.906) 16.466 8.044 ( -9.937 -1.739 0.588) 10.105 9.600 ( 3.087 6.533 1.393) 7.359 10.019 ( 8.496 2.590 0.063) 8.883 14.850 ( -0.370 1.510 0.919) 1.806 14.964 ( 1.570 5.722 -11.040) 12.534 15.181 ( -1.235 -1.449 -1.685) 2.543 15.570 ( 0.773 10.095 10.159) 14.343 16.030 ( 1.301 4.482 -1.386) 4.869 16.825 ( -16.906 1.444 7.404) 18.512 17.282 ( -3.769 -3.966 4.092) 6.832 17.736 ( 12.088 7.764 -2.373) 14.561 18.576 ( 2.545 -13.174 -8.960) 16.134 19.059 ( 2.457 -1.334 -5.057) 5.778 19.188 ( -1.759 -5.221 3.478) 6.515 19.393 ( 2.475 -3.022 -3.545) 5.275 ======================= Grid point 404 (74/120) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.103 1.908 -12.825) 12.967 1.787 ( 0.294 -0.607 2.353) 2.448 2.004 ( 1.431 -2.618 2.448) 3.859 2.037 ( -1.850 -4.151 1.044) 4.663 2.973 ( 13.659 6.807 -1.948) 15.385 3.440 ( -13.409 -10.144 2.345) 16.976 5.482 ( 28.768 14.632 -2.561) 32.376 5.656 ( 3.288 -4.648 5.659) 8.027 6.004 ( -5.631 -1.221 -4.813) 7.508 6.809 ( -13.604 -7.240 -6.999) 16.925 7.016 ( -8.867 -1.114 -2.906) 9.397 7.465 ( 1.467 1.732 0.021) 2.269 7.890 ( -5.932 0.094 1.094) 6.033 9.682 ( -0.199 4.687 1.607) 4.959 10.131 ( 3.192 0.126 0.486) 3.231 14.857 ( 0.205 0.095 1.363) 1.382 15.036 ( -1.754 7.761 -19.975) 21.501 15.153 ( -1.191 0.339 -1.628) 2.045 15.668 ( 0.985 6.426 -0.519) 6.522 16.019 ( -10.243 10.337 15.103) 20.973 16.656 ( -1.235 -2.820 0.966) 3.227 17.179 ( -3.143 -2.079 5.648) 6.789 18.011 ( 8.683 5.384 1.758) 10.367 18.475 ( 1.669 -12.554 -10.267) 16.304 19.080 ( 2.259 -2.605 0.772) 3.533 19.120 ( 0.290 -4.722 0.504) 4.758 19.401 ( 2.057 -3.217 -5.894) 7.023 ======================= Grid point 411 (75/120) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 2.424 4.199 10.245) 11.334 1.668 ( 2.855 4.945 10.377) 11.844 2.027 ( 0.929 1.608 -4.476) 4.846 2.157 ( 0.907 1.571 12.888) 13.015 2.727 ( 10.272 17.791 -4.415) 21.012 3.170 ( -6.209 -10.755 3.351) 12.863 4.250 ( -2.307 -3.997 3.016) 5.513 5.602 ( 0.300 0.520 -3.265) 3.320 5.622 ( 2.496 4.324 -6.921) 8.534 7.281 ( -0.106 -0.183 7.108) 7.111 7.783 ( -5.610 -9.717 -5.931) 12.692 8.302 ( -8.203 -14.209 1.736) 16.498 8.818 ( -0.185 -0.320 -3.735) 3.753 9.064 ( -0.637 -1.104 0.041) 1.275 9.410 ( 11.298 19.569 -0.439) 22.601 14.860 ( 0.748 1.296 7.995) 8.134 14.875 ( -0.566 -0.980 -1.908) 2.219 15.078 ( 3.562 6.169 3.010) 7.733 15.287 ( 2.961 5.129 13.502) 14.744 15.981 ( -0.293 -0.508 2.928) 2.986 16.472 ( 11.464 19.857 1.255) 22.963 17.556 ( -2.033 -3.521 2.153) 4.601 18.379 ( -8.623 -14.935 -9.417) 19.649 18.476 ( -3.469 -6.008 -4.140) 8.079 18.917 ( 1.125 1.949 -7.064) 7.413 19.206 ( 1.896 3.284 -0.935) 3.906 19.424 ( -3.009 -5.212 4.312) 7.404 ======================= Grid point 412 (76/120) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -3.203 2.641 4.398) 6.047 1.716 ( 1.725 1.107 5.006) 5.410 2.087 ( -2.997 9.587 3.147) 10.526 2.234 ( 4.991 0.060 2.659) 5.655 2.677 ( -7.497 -11.460 -3.553) 14.147 3.505 ( 27.194 23.143 3.598) 35.889 4.135 ( -5.549 -6.079 3.299) 8.868 5.585 ( -0.457 -2.861 1.002) 3.065 5.738 ( 5.003 6.046 -6.319) 10.075 7.288 ( -1.344 3.203 2.808) 4.467 7.576 ( -6.880 -9.064 -4.461) 12.222 7.975 ( -9.665 -22.099 0.302) 24.122 8.640 ( -20.731 8.246 -3.028) 22.515 9.178 ( 17.026 -11.240 -0.157) 20.402 9.774 ( 8.324 18.987 -0.084) 20.732 14.830 ( -0.733 -4.738 -0.741) 4.851 14.894 ( 1.721 3.093 0.226) 3.547 15.245 ( 1.778 11.263 1.962) 11.570 15.412 ( 6.618 6.850 9.152) 13.209 15.978 ( -0.351 1.129 1.252) 1.722 16.894 ( 13.422 19.372 5.420) 24.183 17.459 ( -4.257 -5.788 2.466) 7.596 17.952 ( -22.279 -8.463 -11.406) 26.421 18.427 ( 4.885 -12.325 -4.363) 13.957 18.949 ( 2.621 -1.184 -6.227) 6.859 19.264 ( -0.196 2.068 0.382) 2.112 19.324 ( -0.621 -6.262 3.795) 7.348 ======================= Grid point 413 (77/120) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.709 3.473 -2.103) 4.880 1.768 ( 3.560 -1.118 2.440) 4.459 2.081 ( -5.852 2.485 3.967) 7.494 2.230 ( -6.558 4.093 -0.610) 7.754 2.603 ( 5.627 2.388 0.294) 6.120 3.906 ( -10.151 -7.441 3.003) 12.939 4.285 ( 34.574 18.555 -0.539) 39.242 5.552 ( 1.429 -4.926 3.805) 6.386 5.901 ( 6.236 6.590 -5.629) 10.677 7.217 ( -8.543 -4.817 -4.597) 10.831 7.461 ( -1.189 2.462 1.054) 2.930 7.536 ( -13.733 -23.604 -1.506) 27.350 8.356 ( -20.916 7.776 -2.271) 22.431 9.353 ( 16.592 -12.681 -0.185) 20.884 10.054 ( 3.864 16.361 0.761) 16.828 14.769 ( 1.404 -8.268 0.262) 8.391 14.992 ( 3.373 7.621 -9.710) 12.796 15.320 ( -5.156 12.418 0.656) 13.462 15.631 ( 6.233 10.132 8.619) 14.690 16.006 ( 2.730 2.002 -2.324) 4.106 17.134 ( -11.919 3.570 9.552) 15.686 17.298 ( -3.503 -4.194 3.597) 6.542 17.660 ( 0.964 1.090 -11.008) 11.104 18.384 ( 3.971 -12.000 -4.858) 13.542 18.989 ( 3.710 -1.574 -5.189) 6.571 19.171 ( -3.563 -7.479 5.880) 10.158 19.336 ( 1.883 -0.364 -1.877) 2.684 ======================= Grid point 414 (78/120) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.457 3.648 -7.149) 8.039 1.786 ( 0.150 -2.587 0.876) 2.735 1.973 ( -1.988 -5.446 2.677) 6.386 2.186 ( -9.664 14.435 1.915) 17.476 2.831 ( 12.322 9.724 -0.240) 15.699 3.594 ( -15.336 -9.389 2.429) 18.145 5.059 ( 35.254 13.675 -2.190) 37.877 5.540 ( 3.384 -6.112 5.034) 8.611 6.037 ( 1.777 2.740 -4.730) 5.748 6.937 ( -13.735 -14.087 -4.350) 20.150 7.087 ( -9.278 -14.865 -5.186) 18.274 7.563 ( 0.005 13.639 1.243) 13.696 8.097 ( -16.354 5.053 -1.445) 17.178 9.479 ( 13.437 -14.181 -0.089) 19.536 10.225 ( -1.165 13.777 1.154) 13.875 14.722 ( 3.852 -10.210 0.710) 10.935 15.139 ( 1.783 11.658 -17.932) 21.463 15.339 ( -7.208 13.284 -1.509) 15.188 15.755 ( -1.905 8.182 2.319) 8.715 16.132 ( 6.242 5.869 1.916) 8.780 16.778 ( -17.431 -5.991 3.713) 18.802 17.199 ( -3.326 -5.357 6.178) 8.828 17.888 ( 12.547 7.289 -1.891) 14.633 18.318 ( 1.587 -11.733 -5.727) 13.152 19.033 ( 0.123 -3.004 1.021) 3.175 19.050 ( 1.678 -6.198 3.565) 7.344 19.347 ( 0.932 -2.037 -4.369) 4.910 ======================= Grid point 415 (79/120) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -1.450 2.511 -10.589) 10.978 1.757 ( 1.014 -1.757 2.270) 3.045 1.935 ( 2.378 -4.118 2.581) 5.411 2.174 ( -9.605 16.637 2.465) 19.368 3.112 ( -2.702 4.680 -3.315) 6.340 3.290 ( 1.289 -2.233 4.580) 5.256 5.539 ( 3.845 -6.660 5.294) 9.336 5.578 ( 4.650 -8.054 -1.728) 9.459 5.961 ( -0.068 0.118 -3.536) 3.539 6.700 ( 1.919 -3.324 -7.703) 8.606 6.938 ( 2.672 -4.627 -4.101) 6.736 7.662 ( -8.675 15.026 0.460) 17.356 7.952 ( -3.628 6.284 -0.839) 7.304 9.525 ( 9.424 -16.324 -0.033) 18.849 10.283 ( -6.351 10.999 1.225) 12.760 14.704 ( 5.880 -10.184 0.818) 11.788 15.227 ( -6.212 10.760 -21.634) 24.948 15.340 ( -7.497 12.985 -2.108) 15.141 15.772 ( -3.138 5.435 -5.197) 8.148 16.241 ( -5.335 9.241 11.677) 15.818 16.570 ( 2.313 -4.007 1.180) 4.775 17.134 ( 1.777 -3.077 6.342) 7.270 18.085 ( -0.718 1.243 2.465) 2.853 18.230 ( 6.022 -10.430 -8.822) 14.929 18.981 ( 3.763 -6.518 9.099) 11.808 19.071 ( 0.621 -1.076 -1.685) 2.094 19.341 ( 1.570 -2.720 -6.143) 6.899 ======================= Grid point 424 (80/120) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 0.881 1.526 0.894) 1.976 1.690 ( -0.564 -0.977 2.555) 2.793 2.136 ( -4.075 -7.059 1.876) 8.364 2.398 ( 8.409 14.565 0.612) 16.830 2.531 ( -0.724 -1.255 1.156) 1.854 3.985 ( -5.381 -9.320 3.554) 11.333 4.024 ( 16.805 29.107 -0.719) 33.617 5.513 ( -2.259 -3.913 3.592) 5.772 5.879 ( 4.572 7.919 -5.881) 10.872 7.270 ( -4.842 -8.386 -6.081) 11.434 7.493 ( 2.416 4.185 2.361) 5.378 7.519 ( -14.055 -24.344 -0.400) 28.112 8.736 ( -1.937 -3.355 -5.627) 6.832 8.987 ( -1.824 -3.159 1.745) 4.044 10.108 ( 8.434 14.609 0.905) 16.893 14.712 ( -3.664 -6.346 0.142) 7.329 15.000 ( 4.536 7.856 -9.093) 12.844 15.517 ( 3.584 6.208 4.366) 8.394 15.537 ( 8.317 14.406 2.703) 16.853 16.000 ( 0.594 1.029 0.841) 1.455 17.233 ( 6.098 10.563 11.319) 16.640 17.319 ( -4.941 -8.558 3.218) 10.392 17.691 ( -7.348 -12.728 -21.562) 26.095 18.271 ( -2.337 -4.048 1.609) 4.943 18.940 ( 0.395 0.685 -4.299) 4.371 19.164 ( -4.699 -8.139 6.140) 11.226 19.320 ( 0.879 1.523 -1.219) 2.140 ======================= Grid point 425 (81/120) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -2.776 3.589 -2.696) 5.278 1.711 ( 3.974 -3.362 1.407) 5.392 1.969 ( -4.717 -7.722 1.161) 9.123 2.516 ( -6.560 15.941 3.312) 17.553 2.736 ( 11.704 11.488 1.117) 16.438 3.751 ( -11.767 -8.245 3.086) 14.696 4.645 ( 27.521 18.560 -3.198) 33.348 5.448 ( 0.135 -5.153 4.612) 6.917 6.025 ( 3.600 5.076 -4.813) 7.867 7.011 ( -14.420 -19.462 -3.018) 24.409 7.072 ( -7.014 -15.128 -5.730) 17.632 7.656 ( 4.878 13.113 1.705) 14.094 8.505 ( -21.619 6.729 -4.062) 23.003 9.058 ( 15.923 -16.363 0.014) 22.832 10.344 ( 3.432 12.578 1.309) 13.103 14.601 ( -0.745 -7.870 0.430) 7.917 15.193 ( 5.766 12.565 -15.808) 21.000 15.577 ( -4.607 11.166 -0.476) 12.089 15.832 ( 6.390 11.355 3.732) 13.554 16.039 ( 4.989 1.415 -0.897) 5.263 17.021 ( -18.555 -11.013 -3.130) 21.803 17.170 ( -2.706 -12.309 2.458) 12.840 17.767 ( 10.082 9.839 -3.598) 14.540 18.218 ( 0.240 -4.773 2.263) 5.287 18.966 ( 0.689 -4.670 3.511) 5.883 19.014 ( -1.626 -3.764 1.822) 4.487 19.327 ( -0.245 -1.185 -2.218) 2.527 ======================= Grid point 426 (82/120) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -1.098 2.238 -5.634) 6.161 1.720 ( 1.141 -3.354 1.245) 3.755 1.867 ( 0.074 -4.417 2.180) 4.926 2.553 ( -9.890 19.266 4.100) 22.041 3.070 ( 13.276 12.910 1.474) 18.577 3.430 ( -16.916 -6.377 1.849) 18.173 5.266 ( 25.727 8.009 -2.898) 27.100 5.417 ( 2.512 -5.870 4.952) 8.080 5.997 ( -6.910 -8.493 -2.773) 11.295 6.663 ( -4.038 -8.912 -6.135) 11.548 6.874 ( -2.806 -8.490 -5.775) 10.644 7.894 ( 3.779 19.086 0.450) 19.462 8.203 ( -19.723 5.087 -3.030) 20.592 9.140 ( 13.847 -19.406 -0.594) 23.847 10.468 ( -2.104 10.060 1.353) 10.366 14.539 ( 2.525 -7.655 0.415) 8.071 15.406 ( 1.516 14.720 -18.167) 23.431 15.576 ( -7.182 8.874 -5.339) 12.603 15.913 ( -4.780 8.758 -0.228) 9.980 16.251 ( 11.716 5.900 -1.142) 13.168 16.615 ( -14.496 -9.637 -1.249) 17.452 17.034 ( 1.764 -11.776 2.121) 12.095 18.016 ( 8.534 5.922 0.666) 10.409 18.160 ( -2.757 -4.078 1.489) 5.143 18.854 ( 0.873 -9.886 12.358) 15.849 19.059 ( 1.663 2.309 -2.087) 3.529 19.298 ( 0.048 -3.116 -4.135) 5.178 ======================= Grid point 432 (83/120) ======================= q-point: (-0.09 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -3.130 5.421 12.327) 13.825 1.610 ( 1.418 -2.456 10.862) 11.226 2.134 ( -1.349 2.336 10.496) 10.837 2.246 ( -1.159 2.008 -3.085) 3.860 2.763 ( -14.210 24.612 -4.767) 28.816 3.183 ( 6.242 -10.812 3.383) 12.935 4.263 ( 1.879 -3.254 2.805) 4.689 5.594 ( -1.902 3.294 -6.304) 7.363 5.622 ( -1.396 2.419 -3.365) 4.373 7.230 ( 2.431 -4.211 7.075) 8.585 7.804 ( 4.518 -7.825 -5.359) 10.505 8.410 ( 8.004 -13.863 -0.709) 16.023 8.801 ( -0.659 1.141 -3.815) 4.036 8.928 ( 1.070 -1.853 2.857) 3.569 9.469 ( -10.560 18.291 -1.317) 21.162 14.741 ( 0.905 -1.568 3.776) 4.188 15.005 ( 0.831 -1.440 16.341) 16.425 15.077 ( -4.702 8.144 2.995) 9.869 15.231 ( -1.523 2.638 3.776) 4.852 15.964 ( 1.651 -2.860 0.177) 3.307 16.391 ( -9.243 16.009 3.302) 18.778 17.576 ( 1.251 -2.166 1.792) 3.077 18.043 ( 13.624 -23.598 -5.305) 27.760 18.875 ( -2.684 4.649 -4.905) 7.271 18.876 ( -1.608 2.786 -9.279) 9.821 19.191 ( -1.372 2.376 -0.604) 2.810 19.507 ( 0.337 -0.584 0.755) 1.012 ======================= Grid point 436 (84/120) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -0.069 -0.120 -4.206) 4.209 1.662 ( -0.387 -0.670 1.731) 1.896 1.848 ( -2.355 -4.079 1.474) 4.935 2.767 ( 5.834 10.105 4.685) 12.573 2.996 ( 6.965 12.064 3.053) 14.261 3.577 ( -5.293 -9.168 2.467) 10.870 5.047 ( 12.951 22.431 -4.389) 26.271 5.363 ( -1.875 -3.247 4.811) 6.099 6.013 ( -5.662 -9.807 -2.524) 11.602 6.654 ( -5.664 -9.810 -5.345) 12.525 6.858 ( -5.415 -9.378 -6.412) 12.585 7.949 ( 9.387 16.259 -0.289) 18.776 8.559 ( -3.194 -5.532 -6.426) 9.060 8.774 ( -4.750 -8.228 2.428) 9.806 10.537 ( 3.930 6.806 1.378) 7.979 14.478 ( -2.516 -4.358 0.276) 5.040 15.460 ( 7.821 13.546 -16.383) 22.651 15.706 ( 1.310 2.269 -3.978) 4.763 16.056 ( 1.271 2.201 1.470) 2.937 16.104 ( 7.695 13.328 -3.298) 15.739 16.744 ( -9.367 -16.224 -14.279) 23.555 16.904 ( -6.896 -11.944 4.559) 14.526 17.978 ( 5.883 10.189 3.206) 12.194 18.166 ( -0.861 -1.491 4.785) 5.086 18.791 ( -5.088 -8.812 13.278) 16.728 19.057 ( 2.435 4.218 -2.877) 5.656 19.282 ( -1.927 -3.338 -2.540) 4.616 ======================= Grid point 437 (85/120) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( -0.878 1.522 -3.031) 3.504 1.663 ( 1.405 -2.434 0.489) 2.853 1.811 ( 0.772 -1.337 1.408) 2.090 2.882 ( -7.793 13.498 4.935) 16.349 3.138 ( 3.919 -6.787 5.262) 9.440 3.453 ( -3.692 6.395 0.746) 7.422 5.329 ( 1.469 -2.545 4.943) 5.751 5.407 ( -3.765 6.520 -3.472) 8.291 5.750 ( 7.079 -12.261 -2.548) 14.386 6.617 ( -1.138 1.971 -6.785) 7.157 6.734 ( 3.156 -5.467 -6.318) 8.931 8.256 ( -4.321 7.484 -7.107) 11.189 8.312 ( -8.755 15.165 1.902) 17.614 8.739 ( 11.918 -20.643 0.174) 23.837 10.605 ( -2.091 3.622 1.363) 4.398 14.435 ( 1.569 -2.718 0.174) 3.144 15.666 ( -4.481 7.762 -11.329) 14.446 15.675 ( -2.104 3.644 -8.855) 9.804 16.072 ( -3.060 5.299 2.595) 6.647 16.315 ( 1.383 -2.395 -25.212) 25.363 16.508 ( -2.437 4.221 4.531) 6.655 16.766 ( 7.915 -13.709 1.545) 15.905 18.119 ( -1.579 2.735 4.645) 5.617 18.128 ( -0.465 0.805 3.319) 3.447 18.688 ( 3.242 -5.615 16.738) 17.950 19.122 ( -2.046 3.543 -2.207) 4.649 19.227 ( 2.132 -3.693 -3.139) 5.295 ======================= Grid point 443 (86/120) ======================= q-point: (-0.18 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.693 6.354 3.912) 7.652 1.566 ( -3.878 -0.982 7.964) 8.912 2.165 ( 2.808 5.453 5.349) 8.138 2.298 ( -2.158 3.221 -0.022) 3.877 2.731 ( 9.559 -9.996 -4.141) 14.437 3.583 ( -27.095 27.660 1.798) 38.761 4.160 ( 5.908 -4.916 2.852) 8.198 5.656 ( -0.414 2.819 -0.430) 2.881 5.699 ( -5.456 3.545 -4.893) 8.141 7.139 ( 2.043 -6.003 3.502) 7.244 7.642 ( 6.682 -4.859 -3.931) 9.149 8.073 ( 10.562 -22.424 -2.167) 24.881 8.575 ( 23.069 8.958 -0.945) 24.765 9.090 ( -19.377 -13.358 1.118) 23.561 9.816 ( -7.917 18.361 -0.887) 20.015 14.725 ( -2.039 -4.128 2.586) 5.280 14.961 ( 3.939 2.455 10.988) 11.928 15.184 ( -5.858 -5.464 6.636) 10.402 15.355 ( -2.705 13.026 -2.255) 13.494 15.918 ( -0.492 -2.456 -0.826) 2.637 16.714 ( -11.362 6.621 7.323) 15.052 17.502 ( 5.671 -3.650 1.009) 6.819 17.617 ( 7.555 -16.193 -5.514) 18.700 18.858 ( 5.877 6.239 -8.248) 11.895 18.998 ( -4.736 1.810 -6.811) 8.491 19.238 ( -1.336 1.690 0.029) 2.155 19.485 ( 2.498 1.422 -1.088) 3.073 ======================= Grid point 455 (87/120) ======================= q-point: (-0.27 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 1.369 2.593 -3.775) 4.780 1.715 ( -4.837 4.968 3.628) 7.825 2.143 ( 5.201 3.992 3.624) 7.491 2.311 ( 6.825 4.425 -0.580) 8.155 2.628 ( -4.554 3.353 -0.528) 5.680 3.955 ( 11.596 -6.511 2.431) 13.519 4.350 ( -32.719 22.448 -2.185) 39.739 5.684 ( -0.303 2.097 2.922) 3.609 5.849 ( -7.026 4.100 -5.166) 9.636 7.040 ( 1.656 -8.359 -0.633) 8.545 7.472 ( 11.145 -6.909 -1.880) 13.247 7.642 ( 10.907 -17.489 -2.776) 20.798 8.270 ( 20.513 5.576 -0.026) 21.257 9.267 ( -17.565 -15.043 1.573) 23.180 10.081 ( -3.562 15.241 0.161) 15.653 14.720 ( -3.801 -7.459 1.362) 8.481 14.935 ( 1.413 1.990 -1.129) 2.689 15.221 ( -4.473 -3.762 3.861) 7.005 15.484 ( 1.236 9.637 4.663) 10.777 15.948 ( -3.753 -1.589 -2.315) 4.687 16.740 ( 1.565 -14.358 8.347) 16.681 17.366 ( 5.836 -1.408 1.337) 6.151 17.600 ( -9.671 5.237 -3.148) 11.440 18.796 ( 7.494 4.053 -8.555) 12.074 19.072 ( -1.687 2.611 -5.994) 6.752 19.254 ( 1.484 1.283 0.459) 2.015 19.462 ( 2.294 2.750 -3.318) 4.882 ======================= Grid point 456 (88/120) ======================= q-point: (-0.18 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -0.367 0.636 -0.241) 0.773 1.698 ( -4.800 8.314 2.377) 9.890 2.212 ( 1.181 -2.046 3.716) 4.404 2.423 ( -5.867 10.163 0.339) 11.740 2.596 ( 0.750 -1.299 -0.728) 1.668 4.028 ( 5.033 -8.718 2.724) 10.428 4.157 ( -17.305 29.973 -3.191) 34.757 5.687 ( -0.343 0.595 1.602) 1.743 5.807 ( -4.019 6.961 -4.387) 9.157 7.013 ( 3.950 -6.842 -0.104) 7.902 7.571 ( 1.074 -1.859 -1.326) 2.523 7.602 ( 14.683 -25.431 -2.502) 29.472 8.662 ( 4.005 -6.937 -3.923) 8.920 8.863 ( 1.533 -2.655 4.514) 5.456 10.130 ( -7.664 13.274 0.394) 15.333 14.646 ( 2.280 -3.950 1.803) 4.904 15.011 ( -1.049 1.816 14.171) 14.325 15.085 ( 1.756 -3.041 -3.569) 5.007 15.599 ( -5.361 9.285 -2.350) 10.976 15.890 ( -0.326 0.565 0.170) 0.674 16.668 ( 5.934 -10.279 8.222) 14.438 17.427 ( 3.319 -5.748 1.306) 6.764 17.528 ( -5.055 8.755 -4.452) 11.046 18.887 ( 1.668 -2.890 -8.160) 8.816 19.064 ( -2.592 4.490 -6.027) 7.950 19.273 ( -0.869 1.504 -0.242) 1.754 19.499 ( -0.061 0.106 -3.831) 3.833 ======================= Grid point 467 (89/120) ======================= q-point: (-0.36 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( 0.917 3.930 -9.339) 10.174 1.793 ( -0.813 2.058 1.938) 2.941 2.081 ( 3.763 0.613 1.368) 4.051 2.239 ( 10.515 13.321 0.688) 16.985 2.863 ( -11.776 11.123 -0.864) 16.222 3.647 ( 15.894 -7.157 1.655) 17.509 5.113 ( -33.379 16.167 -3.613) 37.264 5.708 ( -0.316 1.537 4.438) 4.707 5.980 ( -3.305 0.799 -5.140) 6.163 6.906 ( 5.300 -9.828 -2.895) 11.535 7.007 ( 15.013 -21.077 -4.904) 26.338 7.550 ( 1.616 7.772 0.756) 7.974 7.999 ( 14.487 0.679 0.686) 14.519 9.386 ( -14.665 -16.969 2.047) 22.521 10.237 ( 0.955 12.093 0.858) 12.161 14.709 ( -5.099 -9.932 0.976) 11.207 14.945 ( -1.252 -0.593 -13.506) 13.576 15.266 ( -0.346 3.823 0.588) 3.883 15.546 ( -2.866 3.291 10.513) 11.383 15.898 ( 3.868 -10.820 3.381) 11.977 16.646 ( -3.198 -2.343 2.468) 4.670 17.229 ( 5.951 -4.353 2.953) 7.942 17.894 ( -12.115 9.152 0.428) 15.189 18.682 ( 8.487 1.122 -8.550) 12.099 19.118 ( -0.293 3.862 -4.014) 5.578 19.218 ( 4.166 2.006 -0.239) 4.630 19.460 ( 1.390 2.836 -5.215) 6.097 ======================= Grid point 468 (90/120) ======================= q-point: (-0.27 0.45 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.584 3.978 -5.049) 6.455 1.798 ( -1.112 2.219 0.497) 2.531 2.132 ( 3.357 -2.960 0.281) 4.485 2.567 ( 6.339 18.596 1.708) 19.720 2.768 ( -13.110 10.568 0.617) 16.850 3.808 ( 10.848 -8.480 2.139) 13.934 4.760 ( -24.865 19.524 -5.572) 32.101 5.694 ( -0.752 -0.780 1.965) 2.244 5.943 ( -3.891 4.698 -3.467) 7.016 6.871 ( 3.545 -8.705 -2.584) 9.748 7.073 ( 16.951 -25.026 -3.672) 30.449 7.600 ( -2.413 5.440 0.994) 6.034 8.365 ( 22.250 3.265 -1.099) 22.515 8.936 ( -15.680 -17.402 2.855) 23.598 10.336 ( -2.910 10.478 1.442) 10.969 14.573 ( -0.281 -6.956 1.052) 7.041 14.981 ( 4.229 2.541 -4.576) 6.729 15.134 ( -8.772 -3.528 6.660) 11.565 15.644 ( 4.810 0.430 1.681) 5.113 15.917 ( 2.121 2.081 0.908) 3.107 16.536 ( -3.738 -3.812 4.232) 6.813 17.282 ( 6.005 -6.917 1.286) 9.250 17.804 ( -10.858 13.410 -1.134) 17.292 18.782 ( 5.600 -4.891 -6.888) 10.136 19.144 ( -1.579 4.287 -5.557) 7.194 19.286 ( 1.302 1.604 -1.240) 2.410 19.498 ( 0.626 0.950 -5.364) 5.483 ======================= Grid point 477 (91/120) ======================= q-point: (-0.45 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 2.132 3.692 -11.206) 11.990 1.806 ( 0.359 0.622 1.575) 1.731 2.050 ( 0.804 1.393 0.218) 1.623 2.216 ( 10.139 17.561 1.687) 20.347 3.124 ( 2.716 4.704 -3.271) 6.340 3.372 ( 0.793 1.374 2.868) 3.278 5.651 ( -3.084 -5.342 -3.559) 7.121 5.718 ( 0.340 0.588 4.848) 4.895 5.905 ( -0.577 -1.000 -4.212) 4.368 6.663 ( -2.808 -4.864 -8.222) 9.957 6.857 ( -4.362 -7.555 -1.994) 8.949 7.611 ( 7.118 12.330 1.188) 14.287 7.846 ( 0.287 0.498 1.119) 1.258 9.428 ( -11.063 -19.162 2.230) 22.239 10.288 ( 5.394 9.343 1.067) 10.841 14.703 ( -6.123 -10.605 0.841) 12.275 14.954 ( -1.415 -2.451 -18.278) 18.496 15.290 ( 4.748 8.224 -2.105) 9.727 15.685 ( 2.199 3.809 -1.700) 4.715 15.689 ( -8.953 -15.506 22.622) 28.851 16.699 ( 0.974 1.687 -1.225) 2.300 17.137 ( -1.330 -2.303 4.149) 4.928 18.074 ( 0.930 1.611 2.205) 2.885 18.588 ( 2.052 3.554 -9.052) 9.939 19.163 ( 2.473 4.283 0.125) 4.947 19.167 ( 1.765 3.057 -3.899) 5.260 19.463 ( 1.504 2.604 -5.987) 6.700 ======================= Grid point 479 (92/120) ======================= q-point: (-0.36 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.226 4.942 -7.043) 8.691 1.808 ( -0.031 -0.556 0.270) 0.619 2.072 ( 1.352 -0.633 -1.460) 2.088 2.622 ( 10.940 22.076 2.318) 24.747 3.121 ( -12.372 14.541 -0.407) 19.096 3.502 ( 14.907 -7.711 1.315) 16.835 5.356 ( -25.452 8.794 -5.152) 27.417 5.698 ( -1.086 -1.974 1.853) 2.917 5.947 ( 5.670 -5.845 -2.498) 8.517 6.629 ( 7.941 -12.822 -6.333) 16.358 6.744 ( 0.360 -8.095 -2.981) 8.634 7.760 ( -5.836 12.323 1.385) 13.705 8.030 ( 19.870 2.896 0.661) 20.091 9.005 ( -14.172 -20.831 2.699) 25.339 10.437 ( 1.627 7.891 1.971) 8.295 14.527 ( -3.028 -7.813 0.670) 8.406 14.951 ( 1.682 1.508 -11.719) 11.935 15.280 ( -10.619 -0.846 5.312) 11.903 15.491 ( 4.748 -11.800 8.265) 15.169 15.875 ( 7.930 10.617 1.899) 13.387 16.671 ( -7.139 3.355 0.311) 7.895 17.108 ( 4.038 -7.784 2.113) 9.020 18.083 ( -5.990 9.794 0.106) 11.481 18.628 ( 4.383 -5.715 -6.314) 9.578 19.205 ( -0.637 4.336 -4.662) 6.398 19.261 ( 3.487 2.127 -2.461) 4.768 19.498 ( 0.518 1.044 -5.954) 6.067 ======================= Grid point 480 (93/120) ======================= q-point: (-0.27 0.55 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -2.338 4.049 -4.855) 6.741 1.803 ( 0.756 -1.310 -0.769) 1.697 2.081 ( 1.024 -1.774 -2.162) 2.978 2.885 ( -6.716 11.632 1.839) 13.557 3.043 ( -9.325 16.151 1.640) 18.722 3.615 ( 6.416 -11.112 1.875) 12.968 5.147 ( -11.811 20.457 -6.656) 24.541 5.674 ( 0.513 -0.888 0.538) 1.158 5.964 ( 3.245 -5.621 -1.726) 6.716 6.641 ( 8.849 -15.328 -5.166) 18.437 6.707 ( 4.334 -7.507 -3.567) 9.374 7.763 ( -6.025 10.436 0.683) 12.069 8.349 ( 3.961 -6.860 -1.150) 8.004 8.655 ( 4.856 -8.411 4.940) 10.897 10.491 ( -3.010 5.214 2.366) 6.469 14.461 ( 2.393 -4.145 0.659) 4.831 15.009 ( 0.133 -0.230 -6.837) 6.843 15.132 ( -2.298 3.980 6.898) 8.289 15.485 ( 6.744 -11.681 2.166) 13.661 16.031 ( -3.102 5.372 2.237) 6.594 16.596 ( -4.891 8.472 1.699) 9.929 17.109 ( 5.915 -10.245 1.102) 11.881 18.078 ( -7.870 13.632 -1.274) 15.792 18.636 ( 5.299 -9.179 -5.094) 11.759 19.222 ( -2.000 3.464 -5.277) 6.621 19.304 ( -0.017 0.030 -2.797) 2.797 19.506 ( -0.081 0.140 -5.999) 6.002 ======================= Grid point 491 (94/120) ======================= q-point: (-0.36 0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 2.289 3.964 -4.155) 6.182 1.776 ( -1.395 -2.415 -1.382) 3.113 2.064 ( -0.102 -0.177 -3.100) 3.107 3.008 ( 9.093 15.750 1.927) 18.288 3.288 ( -3.888 -6.735 1.834) 7.990 3.420 ( 3.357 5.814 1.317) 6.842 5.480 ( 2.461 4.262 -5.169) 7.137 5.662 ( -0.575 -0.995 -0.231) 1.172 5.759 ( -5.547 -9.608 -2.560) 11.386 6.526 ( 0.304 0.526 -5.475) 5.508 6.613 ( -2.907 -5.035 -3.879) 6.989 7.928 ( 1.716 2.971 -3.152) 4.659 8.194 ( 8.416 14.577 4.220) 17.353 8.596 ( -11.349 -19.656 3.969) 23.041 10.542 ( 1.555 2.694 2.710) 4.126 14.419 ( -1.661 -2.877 0.519) 3.363 15.002 ( 1.697 2.940 -5.368) 6.351 15.244 ( -2.533 -4.386 7.136) 8.751 15.295 ( -2.200 -3.810 -0.316) 4.411 16.082 ( 4.087 7.078 2.624) 8.584 16.751 ( 2.486 4.306 0.692) 5.020 16.945 ( -4.286 -7.423 1.492) 8.700 18.267 ( 4.678 8.102 -1.797) 9.527 18.491 ( -4.082 -7.070 -4.284) 9.220 19.269 ( 1.069 1.851 -4.809) 5.262 19.292 ( 0.471 0.817 -3.762) 3.878 19.508 ( 0.056 0.097 -6.020) 6.021 ======================= Grid point 532 (95/120) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 0.000 12.486) 12.486 1.703 ( 0.000 -0.000 12.486) 12.486 1.980 ( -0.000 0.000 -8.453) 8.453 1.980 ( 0.000 0.000 -8.453) 8.453 2.641 ( 0.000 -0.000 14.911) 14.911 3.445 ( 0.000 -0.000 -8.741) 8.741 4.358 ( 0.000 -0.000 1.012) 1.012 5.431 ( 0.000 0.000 -2.858) 2.858 5.431 ( 0.000 -0.000 -2.858) 2.858 7.503 ( 0.000 -0.000 7.165) 7.165 7.877 ( 0.000 0.000 -6.602) 6.602 8.660 ( 0.000 -0.000 1.284) 1.284 8.660 ( 0.000 0.000 1.284) 1.284 9.034 ( 0.000 0.000 -0.517) 0.517 9.034 ( 0.000 0.000 -0.517) 0.517 14.815 ( 0.000 0.000 -0.442) 0.442 14.815 ( -0.000 0.000 -0.442) 0.442 15.389 ( 0.000 0.000 7.577) 7.577 15.389 ( 0.000 -0.000 7.577) 7.577 16.063 ( 0.000 0.000 1.555) 1.555 16.063 ( 0.000 -0.000 1.555) 1.555 17.645 ( 0.000 0.000 0.730) 0.730 18.574 ( 0.000 -0.000 -3.932) 3.932 18.574 ( -0.000 0.000 -3.932) 3.932 18.713 ( 0.000 0.000 -0.714) 0.714 19.112 ( 0.000 0.000 -0.536) 0.536 19.555 ( 0.000 -0.000 0.481) 0.481 ======================= Grid point 533 (96/120) ======================= q-point: ( 0.09 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -4.625 3.860 11.133) 12.659 1.775 ( -0.696 0.208 1.854) 1.991 2.003 ( 9.638 -6.110 -2.203) 11.623 2.220 ( 14.320 13.582 -2.780) 19.932 2.582 ( -3.253 -2.280 10.096) 10.849 3.319 ( -8.994 -5.454 -5.247) 11.755 4.341 ( -1.570 -1.014 1.060) 2.148 5.455 ( 2.022 1.630 -2.756) 3.787 5.484 ( 4.170 2.168 -2.521) 5.334 7.462 ( -3.667 -1.497 6.291) 7.434 7.802 ( -5.764 -3.713 -5.197) 8.603 8.579 ( -4.087 -6.520 1.138) 7.778 8.695 ( -4.479 0.622 -0.973) 4.625 9.076 ( 4.757 10.732 1.061) 11.787 9.130 ( 10.107 -1.397 -1.141) 10.267 14.814 ( -0.870 2.093 0.191) 2.275 14.897 ( 7.685 1.676 -0.631) 7.891 15.315 ( -3.565 -6.016 9.381) 11.701 15.408 ( -1.199 2.819 4.373) 5.339 16.036 ( -2.741 -0.360 1.171) 3.002 16.196 ( 11.773 7.180 0.676) 13.806 17.630 ( -1.350 -0.924 0.763) 1.805 18.390 ( -17.062 -2.510 -0.522) 17.253 18.581 ( 2.846 -6.843 -5.406) 9.173 18.756 ( 2.870 2.577 -2.432) 4.560 19.140 ( 2.293 1.427 -0.437) 2.735 19.540 ( -1.253 -1.227 0.811) 1.932 ======================= Grid point 534 (97/120) ======================= q-point: ( 0.18 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -6.096 -0.255 3.316) 6.944 1.769 ( -0.414 2.697 3.210) 4.213 2.082 ( 4.089 -2.922 -0.845) 5.096 2.402 ( -1.115 -0.099 11.388) 11.443 2.645 ( 1.176 -0.594 -10.823) 10.903 3.282 ( 15.447 8.308 2.565) 17.726 4.273 ( -4.599 -2.959 1.145) 5.588 5.535 ( 4.549 3.138 -2.370) 6.013 5.587 ( 4.777 2.194 -1.305) 5.416 7.359 ( -6.388 -1.472 4.218) 7.795 7.640 ( -7.020 -5.459 -3.423) 9.528 8.413 ( -3.425 -18.931 1.299) 19.282 8.448 ( -21.316 3.825 -2.137) 21.762 9.295 ( 6.107 8.375 0.493) 10.377 9.415 ( 18.756 6.680 -0.819) 19.927 14.826 ( -0.312 2.234 0.246) 2.269 15.056 ( 5.825 -1.587 3.891) 7.183 15.168 ( -4.148 -4.165 1.639) 6.102 15.432 ( 1.133 4.954 3.699) 6.285 15.970 ( -4.051 -0.559 0.037) 4.090 16.585 ( 20.392 13.618 0.773) 24.533 17.575 ( -3.458 -2.475 0.763) 4.320 17.988 ( -23.347 -5.906 0.421) 24.086 18.547 ( 1.730 -7.654 -4.999) 9.304 18.841 ( 3.848 2.045 -2.966) 5.271 19.206 ( 2.930 2.025 -0.208) 3.567 19.485 ( -2.681 -3.039 0.956) 4.164 ======================= Grid point 535 (98/120) ======================= q-point: ( 0.27 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -6.562 -2.759 -1.370) 7.249 1.805 ( 0.511 3.309 3.502) 4.846 2.091 ( 0.558 -2.342 0.371) 2.436 2.346 ( -6.106 -5.345 4.594) 9.325 2.550 ( 0.083 0.031 -4.747) 4.748 3.911 ( 34.183 18.228 0.895) 38.750 4.110 ( -9.678 -5.694 0.995) 11.273 5.653 ( 5.219 1.161 1.022) 5.444 5.694 ( 5.454 4.038 -2.751) 7.322 7.220 ( -8.326 -1.444 0.887) 8.496 7.488 ( -4.339 -4.071 -0.991) 6.031 7.951 ( -23.467 -16.032 -1.434) 28.456 8.241 ( -9.406 -3.258 0.014) 9.954 9.474 ( 6.460 5.927 0.458) 8.778 9.773 ( 14.256 6.718 -0.450) 15.766 14.846 ( 0.198 1.918 0.283) 1.948 14.937 ( -6.330 -6.430 2.084) 9.261 15.177 ( -0.036 -0.015 -1.830) 1.830 15.580 ( 6.463 7.568 3.727) 10.627 15.916 ( -0.608 0.831 -1.446) 1.775 17.090 ( 18.403 15.706 5.237) 24.755 17.410 ( -13.002 -6.988 -0.243) 14.763 17.594 ( -11.326 -3.816 -0.437) 11.960 18.492 ( 0.752 -7.766 -4.993) 9.263 18.915 ( 3.168 0.791 -2.722) 4.250 19.261 ( 1.184 1.200 0.313) 1.715 19.400 ( -2.747 -4.082 0.221) 4.925 ======================= Grid point 536 (99/120) ======================= q-point: ( 0.36 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -3.922 -1.234 -4.463) 6.068 1.832 ( -0.217 1.100 1.902) 2.208 2.068 ( -0.561 -1.936 0.913) 2.213 2.154 ( -6.527 -5.723 0.086) 8.681 2.683 ( 9.817 5.314 -0.346) 11.168 3.822 ( -14.509 -9.190 0.999) 17.203 4.702 ( 35.078 19.545 -0.696) 40.161 5.726 ( 4.133 -1.550 3.484) 5.623 5.845 ( 5.386 5.380 -3.969) 8.585 7.043 ( -9.762 -3.898 -1.042) 10.562 7.347 ( -26.304 -11.675 -0.857) 28.792 7.439 ( -0.060 -3.886 -0.931) 3.996 8.052 ( -8.495 -3.515 0.175) 9.195 9.621 ( 4.478 4.462 0.532) 6.344 10.018 ( 8.386 3.903 -0.054) 9.250 14.795 ( -5.196 -1.934 -4.360) 7.053 14.867 ( 0.393 1.158 0.411) 1.290 15.153 ( -1.507 -0.785 -0.894) 1.920 15.660 ( -2.308 2.043 0.657) 3.151 16.051 ( 10.383 7.265 1.635) 12.777 16.991 ( -18.504 -4.409 5.963) 19.935 17.389 ( -4.647 -0.359 5.849) 7.479 17.661 ( 18.325 8.021 -4.851) 20.583 18.414 ( -1.119 -8.014 -5.035) 9.530 18.974 ( 3.294 0.680 -2.360) 4.109 19.252 ( -2.247 -1.342 2.510) 3.627 19.330 ( -0.904 -3.364 -2.496) 4.285 ======================= Grid point 537 (100/120) ======================= q-point: ( 0.45 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -1.558 0.348 -6.522) 6.715 1.822 ( -0.516 -0.750 0.867) 1.257 2.042 ( -0.326 -1.600 1.098) 1.968 2.050 ( -1.259 -1.875 0.168) 2.265 2.941 ( 11.303 6.106 -0.912) 12.879 3.478 ( -12.761 -8.360 1.080) 15.294 5.443 ( 28.256 15.638 -1.049) 32.312 5.765 ( 2.863 -3.057 4.217) 5.944 5.912 ( -4.363 0.114 -3.679) 5.708 6.696 ( -17.699 -9.720 -3.158) 20.438 6.977 ( -5.947 -1.951 -0.937) 6.328 7.461 ( 1.283 1.203 -0.200) 1.770 7.907 ( -4.594 -1.312 0.451) 4.799 9.705 ( 1.138 2.496 0.570) 2.802 10.138 ( 2.871 0.984 0.134) 3.038 14.724 ( -3.051 1.813 -8.240) 8.972 14.880 ( 0.292 0.181 0.598) 0.690 15.127 ( -0.865 0.014 -0.778) 1.164 15.627 ( -1.741 0.544 -1.384) 2.290 16.297 ( 6.076 9.253 7.372) 13.300 16.697 ( -9.434 -4.631 2.205) 10.738 17.300 ( -3.450 -0.157 4.785) 5.901 18.017 ( 12.947 6.114 -1.233) 14.371 18.286 ( -3.926 -9.057 -5.698) 11.398 19.044 ( 3.484 0.838 -1.459) 3.869 19.186 ( -2.690 -1.693 3.578) 4.786 19.292 ( 0.338 -3.142 -4.398) 5.416 ======================= Grid point 544 (101/120) ======================= q-point: ( 0.09 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.322 -0.558 5.128) 5.169 1.746 ( -1.205 -2.087 -4.432) 5.045 2.022 ( 3.862 6.690 5.300) 9.368 2.411 ( 0.091 0.157 11.179) 11.181 2.596 ( 3.300 5.716 -8.208) 10.532 3.216 ( 0.969 1.679 1.288) 2.328 4.297 ( -2.080 -3.603 1.361) 4.377 5.514 ( 2.568 4.448 -3.137) 6.018 5.552 ( 2.256 3.907 -1.172) 4.661 7.408 ( -2.222 -3.849 3.639) 5.745 7.677 ( -4.676 -8.099 -3.243) 9.898 8.341 ( -8.722 -15.108 2.014) 17.561 8.759 ( -0.434 -0.752 -1.791) 1.991 9.044 ( -0.224 -0.387 -1.836) 1.889 9.416 ( 10.914 18.904 0.871) 21.846 14.830 ( -0.400 -0.693 -2.223) 2.363 15.004 ( 3.962 6.863 4.799) 9.264 15.185 ( -2.736 -4.738 6.726) 8.670 15.445 ( 0.695 1.205 1.382) 1.960 16.012 ( -1.181 -2.046 -0.613) 2.440 16.472 ( 11.544 19.995 -0.898) 23.106 17.592 ( -1.748 -3.027 1.165) 3.685 18.181 ( -10.990 -19.036 -9.273) 23.857 18.483 ( -1.179 -2.041 5.029) 5.554 18.810 ( 1.657 2.871 -2.921) 4.418 19.190 ( 1.909 3.307 -0.547) 3.857 19.492 ( -2.119 -3.671 2.168) 4.761 ======================= Grid point 545 (102/120) ======================= q-point: ( 0.18 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -9.293 1.317 -0.272) 9.390 1.764 ( 4.148 -3.043 -0.618) 5.182 2.151 ( -0.033 10.137 3.028) 10.580 2.365 ( -2.445 -4.182 9.325) 10.509 2.558 ( -2.859 -5.424 -7.475) 9.668 3.578 ( 23.930 20.245 2.865) 31.475 4.188 ( -5.724 -5.626 1.629) 8.189 5.606 ( 1.818 1.755 0.901) 2.683 5.639 ( 5.439 4.930 -2.605) 7.789 7.305 ( -5.348 -4.991 -1.903) 7.558 7.530 ( -4.097 -3.841 0.469) 5.636 7.991 ( -11.217 -22.340 1.274) 25.031 8.584 ( -19.642 7.009 -2.011) 20.952 9.162 ( 16.895 -10.930 -1.378) 20.169 9.780 ( 8.430 19.661 0.572) 21.400 14.805 ( 0.365 -4.044 -1.576) 4.356 14.969 ( -4.046 -5.254 6.114) 9.020 15.269 ( 0.063 12.509 0.236) 12.512 15.504 ( 7.123 2.366 -0.360) 7.515 15.963 ( -2.903 -0.173 -2.570) 3.880 16.935 ( 17.725 20.794 -1.226) 27.351 17.502 ( -5.030 -4.976 1.480) 7.228 17.739 ( -15.959 -19.134 -9.205) 26.561 18.446 ( -1.124 -2.455 6.427) 6.971 18.868 ( 2.799 1.124 -1.582) 3.405 19.254 ( 1.751 2.582 -0.669) 3.190 19.402 ( -3.003 -5.228 3.278) 6.863 ======================= Grid point 546 (103/120) ======================= q-point: ( 0.27 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -7.962 3.437 -2.904) 9.145 1.801 ( 3.114 -2.517 0.462) 4.030 2.187 ( -6.969 -3.002 5.309) 9.261 2.220 ( -6.529 8.507 -0.250) 10.727 2.599 ( 6.637 4.946 -0.316) 8.284 3.961 ( -10.716 -7.379 2.090) 13.177 4.287 ( 32.538 17.346 0.617) 36.878 5.636 ( 2.796 -2.686 4.194) 5.712 5.804 ( 6.328 6.705 -3.468) 9.850 7.125 ( -7.345 -8.225 -4.033) 11.742 7.463 ( -8.589 -7.910 -0.750) 11.700 7.541 ( -10.093 -11.950 1.710) 15.735 8.308 ( -19.278 5.824 -2.078) 20.246 9.338 ( 16.977 -13.322 -1.255) 21.616 10.068 ( 3.944 16.933 0.609) 17.397 14.766 ( 2.165 -7.894 -0.540) 8.203 14.873 ( -3.751 0.016 -1.941) 4.224 15.309 ( -6.787 11.028 -1.662) 13.055 15.707 ( 5.530 5.924 -1.104) 8.179 15.952 ( 3.770 2.621 -1.982) 5.001 17.202 ( -16.516 -14.591 -4.773) 22.549 17.422 ( 3.916 5.088 7.138) 9.600 17.452 ( 10.449 2.150 -7.208) 12.875 18.392 ( -2.496 -2.479 5.791) 6.776 18.927 ( 3.085 0.869 -0.684) 3.277 19.274 ( -1.920 -1.432 2.944) 3.795 19.309 ( -0.859 -3.661 0.525) 3.796 ======================= Grid point 547 (104/120) ======================= q-point: ( 0.36 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -5.642 5.690 -5.104) 9.500 1.810 ( 0.716 -2.436 1.026) 2.738 2.036 ( -2.543 -5.544 2.969) 6.784 2.221 ( -9.753 16.348 1.382) 19.087 2.830 ( 10.890 10.039 0.254) 14.813 3.641 ( -15.631 -8.889 1.910) 18.083 5.032 ( 34.866 13.473 -0.255) 37.379 5.655 ( 3.916 -5.183 5.782) 8.696 5.948 ( 2.215 4.125 -3.630) 5.925 6.871 ( -15.577 -14.614 -1.795) 21.435 6.993 ( -8.808 -16.024 -3.580) 18.632 7.574 ( -1.187 12.727 -0.078) 12.783 8.059 ( -14.284 2.573 -2.011) 14.652 9.464 ( 14.059 -15.251 -1.296) 20.783 10.243 ( -1.192 13.902 0.540) 13.963 14.731 ( 4.337 -10.287 0.089) 11.164 14.838 ( -4.223 6.234 -9.774) 12.338 15.296 ( -6.688 10.215 -2.347) 12.433 15.728 ( -5.731 5.749 -2.619) 8.530 16.172 ( 13.522 4.031 -0.144) 14.110 16.817 ( -11.937 -12.160 -1.561) 17.111 17.297 ( -1.514 -8.972 1.712) 9.258 17.859 ( 14.126 11.326 0.531) 18.114 18.304 ( -4.906 -3.212 4.377) 7.318 18.997 ( 3.566 1.836 -0.309) 4.023 19.199 ( -1.504 -4.194 7.106) 8.388 19.271 ( -1.646 -2.279 -2.896) 4.036 ======================= Grid point 548 (105/120) ======================= q-point: ( 0.45 0.09 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -3.977 6.889 -5.967) 9.944 1.797 ( 0.872 -1.511 1.574) 2.350 1.992 ( 1.777 -3.077 2.646) 4.430 2.216 ( -10.117 17.523 1.476) 20.287 3.064 ( -2.926 5.067 -1.092) 5.952 3.371 ( 0.622 -1.078 2.949) 3.200 5.562 ( 4.466 -7.735 0.234) 8.935 5.658 ( 3.553 -6.154 5.750) 9.141 5.898 ( -0.573 0.993 -2.451) 2.706 6.565 ( 1.500 -2.599 -4.557) 5.457 6.869 ( 3.745 -6.486 -2.436) 7.876 7.655 ( -8.816 15.270 -0.877) 17.654 7.923 ( -1.735 3.006 -1.914) 3.964 9.510 ( 10.119 -17.526 -1.325) 20.280 10.301 ( -6.337 10.976 0.469) 12.682 14.716 ( 6.157 -10.664 0.322) 12.318 14.836 ( -5.239 9.074 -13.459) 17.057 15.288 ( -5.624 9.740 -2.321) 11.484 15.701 ( -4.368 7.565 -1.996) 8.960 16.363 ( 3.011 -5.214 -2.359) 6.467 16.609 ( 0.891 -1.544 2.362) 2.959 17.233 ( 3.890 -6.738 1.673) 7.958 18.120 ( -0.579 1.003 0.717) 1.363 18.164 ( -0.203 0.352 4.066) 4.086 19.054 ( 0.008 -0.014 0.329) 0.329 19.160 ( 1.005 -1.740 8.024) 8.272 19.233 ( 1.122 -1.943 -3.941) 4.535 ======================= Grid point 557 (106/120) ======================= q-point: ( 0.18 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -1.518 -2.629 -2.153) 3.722 1.731 ( 0.306 0.530 1.171) 1.322 2.209 ( -5.818 -10.077 4.403) 12.442 2.411 ( 8.040 13.925 0.654) 16.093 2.539 ( 2.144 3.713 -0.046) 4.288 4.038 ( 15.084 26.126 1.837) 30.224 4.044 ( -5.317 -9.210 1.997) 10.820 5.597 ( -0.957 -1.658 4.295) 4.703 5.780 ( 4.805 8.322 -3.302) 10.161 7.146 ( -5.901 -10.221 -5.547) 13.041 7.524 ( -14.606 -25.299 0.884) 29.226 7.535 ( 2.264 3.922 1.508) 4.773 8.639 ( -2.771 -4.799 -3.332) 6.466 8.994 ( -1.535 -2.659 -1.043) 3.243 10.123 ( 8.620 14.930 0.584) 17.250 14.704 ( -3.210 -5.560 -0.821) 6.473 14.907 ( -0.348 -0.603 -0.087) 0.702 15.514 ( 1.255 2.174 -4.917) 5.521 15.581 ( 8.176 14.161 1.269) 16.401 15.964 ( 0.199 0.344 -3.514) 3.536 17.261 ( -9.103 -15.767 -19.422) 26.621 17.385 ( -4.388 -7.600 2.866) 9.231 17.394 ( 7.964 13.794 4.815) 16.640 18.413 ( -0.982 -1.701 11.065) 11.238 18.900 ( 1.328 2.300 0.363) 2.680 19.288 ( -3.485 -6.037 5.880) 9.119 19.293 ( 0.573 0.992 -1.232) 1.682 ======================= Grid point 558 (107/120) ======================= q-point: ( 0.27 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -4.105 2.936 -3.229) 5.992 1.752 ( 2.345 -2.246 2.241) 3.945 2.029 ( -4.186 -7.535 3.903) 9.462 2.570 ( -6.127 18.525 1.731) 19.589 2.756 ( 11.333 11.821 0.822) 16.397 3.807 ( -12.247 -8.381 2.097) 14.987 4.614 ( 27.125 16.769 0.327) 31.892 5.563 ( 0.720 -4.165 6.076) 7.401 5.939 ( 4.205 6.164 -3.174) 8.109 6.934 ( -7.300 -10.758 -4.336) 13.705 7.003 ( -15.379 -25.015 -0.884) 29.378 7.664 ( 3.915 10.733 -0.798) 11.453 8.416 ( -19.372 4.385 -3.915) 20.244 9.044 ( 14.172 -15.429 -1.447) 21.000 10.361 ( 3.398 12.444 0.341) 12.904 14.604 ( -0.506 -7.781 -0.203) 7.800 14.945 ( 0.618 7.284 -7.575) 10.527 15.498 ( -6.265 6.231 -6.987) 11.265 15.848 ( 4.815 8.598 -2.079) 10.072 16.004 ( 5.281 2.412 -2.165) 6.197 16.842 ( -10.348 -19.495 -11.261) 24.778 17.226 ( -3.479 -10.872 3.072) 11.821 17.774 ( 11.635 15.907 1.655) 19.778 18.364 ( -3.383 -1.176 10.541) 11.133 18.962 ( 2.965 2.816 1.141) 4.246 19.176 ( -2.371 -5.892 8.907) 10.939 19.285 ( -1.391 -1.269 -1.597) 2.469 ======================= Grid point 559 (108/120) ======================= q-point: ( 0.36 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -3.758 5.121 -2.796) 6.940 1.757 ( 1.482 -2.922 2.085) 3.883 1.935 ( 0.079 -4.413 3.996) 5.954 2.622 ( -10.593 21.038 2.407) 23.677 3.090 ( 11.313 15.902 0.675) 19.527 3.476 ( -16.240 -7.823 2.241) 18.164 5.234 ( 27.108 7.625 -0.048) 28.160 5.544 ( 2.546 -5.478 6.825) 9.114 5.947 ( -6.282 -6.565 -1.930) 9.289 6.562 ( -7.356 -10.923 -3.251) 13.564 6.772 ( -1.476 -8.839 -3.868) 9.760 7.869 ( 4.624 15.818 -2.586) 16.682 8.128 ( -19.019 4.625 -3.714) 19.922 9.114 ( 13.556 -19.461 -1.896) 23.793 10.482 ( -2.068 9.776 0.042) 9.992 14.544 ( 2.710 -7.917 0.014) 8.368 15.039 ( -3.386 13.722 -14.901) 20.538 15.439 ( -5.446 3.947 -6.601) 9.424 15.908 ( -6.073 11.707 -0.512) 13.198 16.140 ( 10.257 -9.808 -10.983) 17.946 16.606 ( -2.184 -5.692 1.049) 6.186 17.080 ( 1.149 -12.110 2.394) 12.398 18.070 ( 8.064 9.335 2.593) 12.605 18.267 ( -6.806 -1.028 8.493) 10.932 19.045 ( 2.579 2.925 1.102) 4.052 19.104 ( 0.524 -4.852 11.492) 12.485 19.230 ( -2.156 -2.164 -1.968) 3.634 ======================= Grid point 565 (109/120) ======================= q-point: (-0.09 0.18 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( -0.376 0.652 10.556) 10.583 1.730 ( 2.253 -3.902 1.358) 4.706 2.153 ( -2.412 4.178 -5.870) 7.598 2.377 ( -1.392 2.410 11.806) 12.130 2.623 ( -3.931 6.809 -8.442) 11.537 3.224 ( -1.301 2.253 0.630) 2.676 4.302 ( 1.907 -3.302 0.898) 3.917 5.503 ( -2.334 4.043 -2.100) 5.118 5.561 ( -2.704 4.683 -1.971) 5.756 7.374 ( 3.594 -6.224 5.908) 9.304 7.699 ( 3.806 -6.593 -4.379) 8.782 8.382 ( 8.726 -15.114 -1.802) 17.545 8.750 ( 0.074 -0.128 -1.018) 1.029 8.992 ( 0.317 -0.549 3.050) 3.115 9.441 ( -10.594 18.350 -1.376) 21.233 14.787 ( 0.615 -1.066 1.880) 2.247 15.072 ( -6.557 11.357 -2.126) 13.285 15.281 ( 4.224 -7.317 -1.035) 8.512 15.331 ( 0.606 -1.049 12.150) 12.210 15.978 ( 1.952 -3.381 1.499) 4.182 16.443 ( -10.444 18.090 1.871) 20.972 17.600 ( 1.434 -2.483 0.437) 2.900 18.031 ( 12.662 -21.932 4.105) 25.655 18.659 ( -0.928 1.608 -10.741) 10.901 18.800 ( -2.091 3.621 -1.868) 4.579 19.184 ( -1.713 2.967 -0.054) 3.426 19.516 ( 1.259 -2.181 -0.215) 2.527 ======================= Grid point 569 (110/120) ======================= q-point: ( 0.27 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.078 1.868 -1.911) 2.881 1.712 ( -1.042 -1.804 2.861) 3.539 1.913 ( -2.309 -3.999 4.357) 6.349 2.851 ( 6.215 10.765 3.226) 12.842 3.047 ( 8.430 14.601 1.703) 16.946 3.621 ( -6.088 -10.545 1.550) 12.275 4.993 ( 12.863 22.279 -0.483) 25.731 5.491 ( -1.610 -2.789 7.071) 7.770 5.967 ( -4.272 -7.400 -1.779) 8.728 6.573 ( -7.760 -13.440 -2.194) 15.673 6.742 ( -5.249 -9.092 -4.508) 11.426 7.900 ( 7.232 12.526 -4.093) 15.032 8.434 ( -2.369 -4.103 -5.068) 6.937 8.790 ( -4.769 -8.260 -0.791) 9.571 10.550 ( 3.790 6.564 -0.149) 7.581 14.480 ( -2.574 -4.458 -0.120) 5.149 15.146 ( 7.177 12.431 -12.735) 19.189 15.547 ( -0.444 -0.769 -10.407) 10.445 15.918 ( -2.756 -4.773 -13.905) 14.957 16.074 ( 2.585 4.478 0.287) 5.178 16.577 ( -2.155 -3.733 -1.445) 4.546 17.006 ( -6.477 -11.219 4.909) 13.853 18.046 ( 6.585 11.406 2.195) 13.352 18.326 ( -1.683 -2.915 9.378) 9.963 19.033 ( 2.151 3.725 2.710) 5.084 19.076 ( -1.973 -3.418 11.969) 12.603 19.240 ( -1.888 -3.269 -1.087) 3.929 ======================= Grid point 570 (111/120) ======================= q-point: ( 0.36 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.581 4.470 -0.074) 5.162 1.690 ( 2.202 -3.815 2.007) 4.841 1.874 ( 0.919 -1.591 4.426) 4.792 2.972 ( -8.096 14.022 3.513) 16.568 3.238 ( 4.008 -6.941 4.053) 8.982 3.458 ( -4.685 8.114 -0.250) 9.373 5.364 ( -3.421 5.926 -0.458) 6.858 5.462 ( 1.351 -2.341 7.371) 7.851 5.713 ( 7.122 -12.335 -0.907) 14.272 6.501 ( -1.248 2.161 -4.022) 4.734 6.624 ( 3.403 -5.894 -4.029) 7.908 8.082 ( -2.199 3.808 -8.744) 9.787 8.319 ( -8.980 15.554 -1.125) 17.996 8.726 ( 10.912 -18.899 -1.545) 21.878 10.615 ( -2.017 3.493 -0.384) 4.052 14.436 ( 1.643 -2.846 -0.137) 3.290 15.348 ( -8.929 15.466 -17.225) 24.811 15.485 ( -1.311 2.271 -8.668) 9.056 15.817 ( 10.645 -18.438 -20.801) 29.765 16.115 ( -3.762 6.517 1.292) 7.635 16.618 ( -2.838 4.915 5.612) 7.982 16.848 ( 5.959 -10.321 4.814) 12.853 18.198 ( -1.745 3.023 2.879) 4.525 18.259 ( -0.227 0.394 7.505) 7.519 19.028 ( 1.325 -2.295 15.469) 15.694 19.106 ( -1.559 2.700 0.999) 3.273 19.184 ( 1.330 -2.304 -0.495) 2.706 ======================= Grid point 576 (112/120) ======================= q-point: (-0.18 0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 7.987 2.135 2.319) 8.587 1.700 ( -5.800 -3.176 5.036) 8.312 2.209 ( 2.962 8.272 -1.913) 8.992 2.381 ( -0.311 -1.844 8.104) 8.317 2.577 ( 4.936 -5.662 -9.611) 12.198 3.608 ( -23.915 22.013 0.076) 32.503 4.198 ( 5.885 -5.168 0.738) 7.867 5.614 ( -4.945 5.682 -1.464) 7.674 5.647 ( -2.885 2.484 -1.597) 4.128 7.228 ( 4.826 -8.212 4.610) 10.582 7.572 ( 4.932 -2.772 -2.907) 6.361 8.027 ( 11.564 -22.438 -2.118) 25.332 8.563 ( 20.597 7.316 0.041) 21.858 9.125 ( -17.968 -11.721 2.008) 21.547 9.796 ( -8.254 19.329 -0.963) 21.040 14.768 ( -1.239 -4.037 1.894) 4.628 15.083 ( 9.907 -4.587 -1.947) 11.090 15.253 ( 1.501 8.955 1.109) 9.147 15.408 ( -11.637 1.485 7.285) 13.809 15.916 ( 1.627 -1.878 1.062) 2.702 16.855 ( -16.214 14.321 5.989) 22.447 17.513 ( 7.537 -5.817 0.416) 9.530 17.602 ( 8.363 -17.900 3.215) 20.017 18.648 ( 4.721 3.800 -11.351) 12.868 18.886 ( -3.589 2.513 -3.297) 5.483 19.243 ( -1.784 2.006 0.398) 2.714 19.456 ( 2.982 -2.141 -1.955) 4.159 ======================= Grid point 588 (113/120) ======================= q-point: (-0.27 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 7.461 2.609 -1.101) 7.981 1.781 ( -3.867 0.052 2.332) 4.517 2.202 ( 6.572 3.146 1.702) 7.482 2.277 ( 7.869 2.945 -2.886) 8.884 2.605 ( -6.818 5.636 -1.030) 8.905 3.983 ( 11.599 -7.124 0.140) 13.612 4.310 ( -32.086 19.019 -1.588) 37.333 5.707 ( -3.028 -0.177 -1.470) 3.371 5.771 ( -5.917 6.342 -1.161) 8.751 7.058 ( 4.659 -9.472 2.246) 10.792 7.453 ( 11.710 -9.190 -0.070) 14.886 7.586 ( 9.723 -12.331 -2.508) 15.902 8.277 ( 19.163 4.866 0.835) 19.788 9.304 ( -17.428 -14.166 1.856) 22.535 10.078 ( -3.829 16.465 -0.360) 16.909 14.748 ( -3.060 -7.613 1.230) 8.296 14.889 ( 8.564 -1.872 -2.554) 9.131 15.266 ( 3.371 5.446 1.961) 6.698 15.621 ( -5.382 4.625 6.365) 9.532 15.930 ( -5.201 1.495 0.303) 5.420 16.973 ( 4.726 -18.013 13.477) 22.988 17.388 ( 1.625 -0.223 1.029) 1.937 17.538 ( -9.969 7.046 -3.799) 12.785 18.583 ( 7.010 3.416 -11.128) 13.589 18.961 ( -2.424 2.693 -3.887) 5.314 19.268 ( 0.491 0.230 0.911) 1.060 19.385 ( 2.978 -1.159 -4.193) 5.272 ======================= Grid point 589 (114/120) ======================= q-point: (-0.18 0.36 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 1.858 -3.218 1.338) 3.950 1.734 ( -2.486 4.305 0.898) 5.052 2.264 ( 4.936 -8.549 0.179) 9.873 2.422 ( -6.935 12.012 -0.340) 13.874 2.556 ( -2.390 4.140 -2.066) 5.208 4.061 ( 5.185 -8.981 0.413) 10.379 4.091 ( -15.325 26.544 -3.048) 30.801 5.674 ( -0.224 0.387 -2.632) 2.669 5.752 ( -4.591 7.951 -0.724) 9.210 7.050 ( 5.514 -9.551 3.502) 11.571 7.554 ( 14.834 -25.693 -1.967) 29.733 7.555 ( -0.690 1.195 -0.559) 1.489 8.611 ( 3.545 -6.140 -0.699) 7.125 8.947 ( 1.432 -2.480 3.356) 4.412 10.132 ( -8.318 14.408 -0.191) 16.638 14.680 ( 2.723 -4.716 1.475) 5.641 14.975 ( 3.175 -5.499 -5.687) 8.524 15.313 ( 0.008 -0.015 13.564) 13.564 15.587 ( -7.023 12.164 0.346) 14.050 15.906 ( -0.619 1.071 1.610) 2.030 16.904 ( 7.571 -13.113 14.605) 21.037 17.428 ( 3.726 -6.454 -1.132) 7.538 17.464 ( -6.873 11.904 -2.530) 13.976 18.670 ( 0.907 -1.571 -12.352) 12.485 18.950 ( -2.221 3.847 -4.326) 6.201 19.274 ( -0.524 0.908 0.492) 1.158 19.405 ( 1.635 -2.831 -5.242) 6.178 ======================= Grid point 600 (115/120) ======================= q-point: (-0.36 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 5.485 5.664 -3.477) 8.618 1.818 ( -0.896 -0.526 0.381) 1.107 2.082 ( 3.690 -3.295 -1.236) 5.099 2.241 ( 10.035 15.918 -0.487) 18.823 2.843 ( -10.641 10.583 -0.919) 15.036 3.664 ( 15.875 -7.935 -0.124) 17.748 5.051 ( -34.121 14.365 -2.087) 37.080 5.748 ( -3.129 -2.440 -1.731) 4.329 5.907 ( -2.199 3.917 -0.651) 4.539 6.865 ( 12.729 -12.871 -1.091) 18.135 6.952 ( 10.589 -18.702 -0.077) 21.491 7.565 ( 1.574 10.397 0.658) 10.536 8.021 ( 13.620 0.738 1.510) 13.723 9.429 ( -14.535 -16.253 2.000) 21.896 10.247 ( 1.111 13.239 0.140) 13.286 14.726 ( -4.789 -10.194 0.563) 11.277 14.765 ( 5.455 1.073 -2.867) 6.255 15.263 ( 3.935 6.783 0.502) 7.858 15.674 ( 2.850 5.781 2.966) 7.095 16.078 ( -10.309 -4.816 9.219) 14.645 16.725 ( 3.575 -10.317 5.315) 12.144 17.281 ( 2.989 -6.975 2.033) 7.856 17.891 ( -13.758 11.178 -1.138) 17.763 18.472 ( 9.050 1.786 -10.595) 14.048 19.031 ( -2.428 3.442 -3.445) 5.441 19.228 ( 3.275 -0.965 1.221) 3.626 19.340 ( 1.814 0.061 -6.380) 6.633 ======================= Grid point 601 (116/120) ======================= q-point: (-0.27 0.45 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 2.718 3.407 -0.872) 4.444 1.790 ( -1.468 -0.014 -1.238) 1.920 2.104 ( 4.202 -6.039 -2.841) 7.887 2.587 ( 5.923 19.540 0.105) 20.419 2.769 ( -11.843 11.422 -0.396) 16.458 3.830 ( 11.773 -8.537 -0.057) 14.542 4.658 ( -25.880 17.181 -3.822) 31.298 5.674 ( -1.322 -2.620 -3.788) 4.792 5.904 ( -3.895 6.279 -0.028) 7.389 6.864 ( 4.666 -9.866 1.855) 11.070 7.014 ( 17.801 -25.615 -1.816) 31.246 7.632 ( -3.170 7.551 1.921) 8.412 8.362 ( 19.674 2.986 1.129) 19.932 8.998 ( -14.134 -15.725 2.802) 21.328 10.358 ( -3.194 11.649 0.617) 12.094 14.593 ( 0.126 -7.435 0.792) 7.478 14.888 ( 4.804 2.154 -1.845) 5.579 15.317 ( -0.497 0.455 9.537) 9.561 15.754 ( -2.579 3.985 6.583) 8.116 15.953 ( -0.731 2.295 2.398) 3.399 16.646 ( 2.014 -11.483 7.017) 13.608 17.278 ( 5.044 -8.243 -1.574) 9.791 17.793 ( -11.856 14.640 -0.297) 18.841 18.597 ( 5.195 -2.159 -10.779) 12.159 19.028 ( -2.341 3.950 -4.920) 6.730 19.268 ( 1.730 -0.341 -0.167) 1.771 19.356 ( 1.201 -1.676 -8.052) 8.312 ======================= Grid point 610 (117/120) ======================= q-point: (-0.45 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 4.224 7.316 -4.422) 9.535 1.819 ( -0.293 -0.507 -0.336) 0.675 2.036 ( -0.520 -0.901 -1.507) 1.831 2.233 ( 10.283 17.811 -0.040) 20.567 3.070 ( 2.970 5.143 -1.618) 6.155 3.402 ( 0.176 0.304 -0.007) 0.351 5.588 ( -3.889 -6.736 -2.278) 8.105 5.753 ( -2.506 -4.340 -2.484) 5.593 5.860 ( 1.126 1.950 0.744) 2.371 6.541 ( -2.004 -3.471 -2.639) 4.799 6.840 ( -4.400 -7.621 0.344) 8.807 7.634 ( 8.210 14.220 1.100) 16.457 7.880 ( 0.320 0.555 2.026) 2.125 9.474 ( -10.715 -18.559 2.072) 21.530 10.303 ( 5.964 10.330 0.326) 11.933 14.716 ( -6.251 -10.827 0.377) 12.508 14.723 ( 2.071 3.587 -3.013) 5.122 15.263 ( 4.334 7.508 -0.129) 8.670 15.676 ( 4.321 7.484 0.513) 8.657 16.136 ( -8.668 -15.014 18.237) 25.163 16.660 ( 0.444 0.769 -2.381) 2.541 17.210 ( -3.097 -5.363 2.804) 6.798 18.113 ( 0.542 0.939 1.294) 1.688 18.358 ( 3.342 5.788 -12.142) 13.860 19.090 ( 0.910 1.577 -3.024) 3.530 19.174 ( 0.508 0.880 1.344) 1.684 19.324 ( 0.646 1.119 -7.354) 7.467 ======================= Grid point 612 (118/120) ======================= q-point: (-0.36 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 545 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 3.587 6.750 -2.822) 8.148 1.796 ( -0.889 -1.985 -1.395) 2.584 2.018 ( 0.748 -2.916 -3.618) 4.707 2.647 ( 10.961 22.113 0.041) 24.681 3.106 ( -10.626 15.922 -0.883) 19.163 3.509 ( 15.090 -7.963 -0.704) 17.076 5.267 ( -26.974 7.963 -3.146) 28.301 5.670 ( -2.062 -4.478 -4.436) 6.632 5.923 ( 5.706 -4.851 0.203) 7.492 6.542 ( 9.420 -12.492 -1.666) 15.734 6.722 ( 0.348 -8.691 0.788) 8.734 7.806 ( -5.561 12.000 3.013) 13.565 8.063 ( 18.969 4.532 2.405) 19.651 9.064 ( -13.650 -19.917 2.770) 24.305 10.470 ( 1.896 8.956 1.141) 9.226 14.539 ( -2.900 -7.977 0.445) 8.500 14.851 ( 5.382 7.675 2.401) 9.676 15.336 ( -0.243 1.254 3.126) 3.377 15.796 ( -7.466 -11.234 15.693) 20.693 15.919 ( 7.409 6.554 3.195) 10.395 16.648 ( -3.898 1.263 -2.217) 4.659 17.119 ( 1.683 -9.314 -0.977) 9.516 18.090 ( -7.508 8.933 0.187) 11.671 18.465 ( 6.204 -2.382 -9.319) 11.446 19.105 ( -1.797 3.722 -4.370) 6.015 19.217 ( 3.194 -0.264 -1.307) 3.461 19.333 ( 0.239 -0.717 -9.632) 9.662 ======================= Grid point 613 (119/120) ======================= q-point: (-0.27 0.55 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -2.269 3.930 -1.842) 4.897 1.769 ( 1.160 -2.009 -2.367) 3.314 2.009 ( 1.920 -3.326 -4.500) 5.916 2.895 ( -6.528 11.306 -0.895) 13.086 3.063 ( -9.286 16.083 0.182) 18.572 3.636 ( 6.492 -11.245 0.106) 12.985 5.031 ( -12.368 21.422 -4.046) 25.064 5.625 ( 1.123 -1.945 -5.029) 5.508 5.946 ( 3.287 -5.694 0.089) 6.575 6.568 ( 9.052 -15.678 -1.708) 18.183 6.682 ( 4.802 -8.316 1.058) 9.661 7.809 ( -5.530 9.578 3.809) 11.697 8.360 ( 2.346 -4.064 2.110) 5.145 8.745 ( 4.824 -8.355 3.458) 10.249 10.532 ( -3.439 5.957 1.498) 7.040 14.474 ( 2.528 -4.379 0.510) 5.082 14.971 ( -3.276 5.675 3.532) 7.444 15.319 ( -0.213 0.369 10.699) 10.708 15.635 ( 6.912 -11.973 11.515) 17.993 16.066 ( -3.241 5.613 1.084) 6.572 16.596 ( -3.130 5.421 -1.414) 6.417 17.090 ( 6.048 -10.475 -2.775) 12.410 18.066 ( -7.285 12.618 -0.232) 14.572 18.508 ( 3.746 -6.488 -7.550) 10.636 19.108 ( -2.301 3.985 -5.096) 6.866 19.249 ( 1.036 -1.794 -1.948) 2.844 19.327 ( 0.596 -1.032 -10.910) 10.975 ======================= Grid point 624 (120/120) ======================= q-point: (-0.36 0.64 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.61e-05 6.61e-05 1.94e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 3.212 5.563 -2.705) 6.970 1.737 ( -2.187 -3.787 -2.271) 4.928 1.977 ( -0.625 -1.083 -5.031) 5.185 3.019 ( 8.572 14.847 -0.894) 17.167 3.295 ( -4.030 -6.979 -1.277) 8.160 3.445 ( 4.574 7.923 0.958) 9.198 5.391 ( 2.936 5.085 -3.030) 6.608 5.602 ( -1.032 -1.787 -5.324) 5.710 5.717 ( -6.581 -11.399 -1.303) 13.226 6.462 ( 1.070 1.852 -0.525) 2.203 6.577 ( -3.351 -5.805 0.369) 6.713 7.938 ( 1.113 1.928 4.209) 4.761 8.272 ( 8.864 15.353 3.180) 18.011 8.675 ( -10.751 -18.621 3.331) 21.758 10.591 ( 1.815 3.144 1.862) 4.080 14.429 ( -1.678 -2.907 0.440) 3.386 15.050 ( 6.473 11.211 9.588) 16.110 15.342 ( -0.298 -0.516 4.764) 4.802 15.462 ( -8.732 -15.124 13.779) 22.245 16.120 ( 4.058 7.029 0.836) 8.160 16.719 ( 2.891 5.007 -3.596) 6.808 16.932 ( -4.962 -8.594 -2.719) 10.289 18.239 ( 3.312 5.736 -1.252) 6.741 18.395 ( -2.318 -4.014 -5.356) 7.084 19.166 ( 1.247 2.160 -4.509) 5.153 19.212 ( -0.225 -0.390 -3.317) 3.348 19.318 ( -0.340 -0.589 -11.856) 11.876 =================== 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 3/29403 10.0 533.071 533.071 457.468 -0.000 -0.000 0.000 3/29403 20.0 100.746 100.746 69.667 0.000 -0.000 0.000 3/29403 30.0 58.427 58.427 32.903 0.000 -0.000 0.000 3/29403 40.0 43.927 43.927 21.185 0.000 -0.000 0.000 3/29403 50.0 35.925 35.925 15.680 0.000 -0.000 0.000 3/29403 60.0 30.795 30.795 12.533 0.000 -0.000 0.000 3/29403 70.0 27.231 27.231 10.500 0.000 -0.000 0.000 3/29403 80.0 24.573 24.573 9.072 0.000 -0.000 0.000 3/29403 90.0 22.458 22.458 8.006 0.000 -0.000 0.000 3/29403 100.0 20.692 20.692 7.175 0.000 -0.000 0.000 3/29403 110.0 19.170 19.170 6.507 0.000 -0.000 0.000 3/29403 120.0 17.834 17.834 5.957 0.000 -0.000 0.000 3/29403 130.0 16.650 16.650 5.497 0.000 -0.000 0.000 3/29403 140.0 15.593 15.593 5.107 0.000 -0.000 0.000 3/29403 150.0 14.647 14.647 4.772 0.000 -0.000 0.000 3/29403 160.0 13.796 13.796 4.481 0.000 -0.000 0.000 3/29403 170.0 13.030 13.030 4.227 0.000 -0.000 0.000 3/29403 180.0 12.338 12.338 4.002 0.000 -0.000 0.000 3/29403 190.0 11.710 11.710 3.801 0.000 -0.000 0.000 3/29403 200.0 11.140 11.140 3.621 0.000 -0.000 0.000 3/29403 210.0 10.620 10.620 3.459 0.000 -0.000 0.000 3/29403 220.0 10.144 10.144 3.312 0.000 -0.000 0.000 3/29403 230.0 9.708 9.708 3.177 0.000 -0.000 0.000 3/29403 240.0 9.306 9.306 3.054 0.000 -0.000 0.000 3/29403 250.0 8.936 8.936 2.940 0.000 -0.000 0.000 3/29403 260.0 8.593 8.593 2.835 0.000 -0.000 0.000 3/29403 270.0 8.275 8.275 2.738 0.000 -0.000 0.000 3/29403 280.0 7.980 7.980 2.647 0.000 -0.000 0.000 3/29403 290.0 7.705 7.705 2.563 0.000 -0.000 0.000 3/29403 300.0 7.447 7.447 2.483 0.000 -0.000 0.000 3/29403 310.0 7.207 7.207 2.409 0.000 -0.000 0.000 3/29403 320.0 6.981 6.981 2.339 0.000 -0.000 0.000 3/29403 330.0 6.769 6.769 2.273 0.000 -0.000 0.000 3/29403 340.0 6.570 6.570 2.211 0.000 -0.000 0.000 3/29403 350.0 6.382 6.382 2.152 0.000 -0.000 0.000 3/29403 360.0 6.204 6.204 2.096 0.000 -0.000 0.000 3/29403 370.0 6.036 6.036 2.043 0.000 -0.000 0.000 3/29403 380.0 5.877 5.877 1.993 0.000 -0.000 0.000 3/29403 390.0 5.726 5.726 1.945 0.000 -0.000 0.000 3/29403 400.0 5.582 5.582 1.899 0.000 -0.000 0.000 3/29403 410.0 5.446 5.446 1.856 0.000 -0.000 0.000 3/29403 420.0 5.316 5.316 1.814 0.000 -0.000 0.000 3/29403 430.0 5.192 5.192 1.774 0.000 -0.000 0.000 3/29403 440.0 5.074 5.074 1.736 0.000 -0.000 0.000 3/29403 450.0 4.961 4.961 1.699 0.000 -0.000 0.000 3/29403 460.0 4.853 4.853 1.664 0.000 -0.000 0.000 3/29403 470.0 4.749 4.749 1.631 0.000 -0.000 0.000 3/29403 480.0 4.650 4.650 1.598 0.000 -0.000 0.000 3/29403 490.0 4.555 4.555 1.567 0.000 -0.000 0.000 3/29403 500.0 4.464 4.464 1.537 0.000 -0.000 0.000 3/29403 510.0 4.376 4.376 1.509 0.000 -0.000 0.000 3/29403 520.0 4.292 4.292 1.481 0.000 -0.000 0.000 3/29403 530.0 4.211 4.211 1.454 0.000 -0.000 0.000 3/29403 540.0 4.133 4.133 1.428 0.000 -0.000 0.000 3/29403 550.0 4.058 4.058 1.403 0.000 -0.000 0.000 3/29403 560.0 3.985 3.985 1.379 0.000 -0.000 0.000 3/29403 570.0 3.915 3.915 1.356 0.000 -0.000 0.000 3/29403 580.0 3.848 3.848 1.334 0.000 -0.000 0.000 3/29403 590.0 3.783 3.783 1.312 0.000 -0.000 0.000 3/29403 600.0 3.719 3.719 1.291 0.000 -0.000 0.000 3/29403 610.0 3.658 3.658 1.270 0.000 -0.000 0.000 3/29403 620.0 3.599 3.599 1.251 0.000 -0.000 0.000 3/29403 630.0 3.542 3.542 1.231 0.000 -0.000 0.000 3/29403 640.0 3.487 3.487 1.213 0.000 -0.000 0.000 3/29403 650.0 3.433 3.433 1.195 0.000 -0.000 0.000 3/29403 660.0 3.381 3.381 1.177 0.000 -0.000 0.000 3/29403 670.0 3.331 3.331 1.160 0.000 -0.000 0.000 3/29403 680.0 3.282 3.282 1.144 0.000 -0.000 0.000 3/29403 690.0 3.234 3.234 1.128 0.000 -0.000 0.000 3/29403 700.0 3.188 3.188 1.112 0.000 -0.000 0.000 3/29403 710.0 3.143 3.143 1.097 0.000 -0.000 0.000 3/29403 720.0 3.099 3.099 1.082 0.000 -0.000 0.000 3/29403 730.0 3.057 3.057 1.067 0.000 -0.000 0.000 3/29403 740.0 3.016 3.016 1.053 0.000 -0.000 0.000 3/29403 750.0 2.975 2.975 1.040 0.000 -0.000 0.000 3/29403 760.0 2.936 2.936 1.026 0.000 -0.000 0.000 3/29403 770.0 2.898 2.898 1.013 0.000 -0.000 0.000 3/29403 780.0 2.861 2.861 1.001 0.000 -0.000 0.000 3/29403 790.0 2.825 2.825 0.988 0.000 -0.000 0.000 3/29403 800.0 2.789 2.789 0.976 0.000 -0.000 0.000 3/29403 810.0 2.755 2.755 0.964 0.000 -0.000 0.000 3/29403 820.0 2.721 2.721 0.953 0.000 -0.000 0.000 3/29403 830.0 2.689 2.689 0.942 0.000 -0.000 0.000 3/29403 840.0 2.657 2.657 0.931 0.000 -0.000 0.000 3/29403 850.0 2.625 2.625 0.920 0.000 -0.000 0.000 3/29403 860.0 2.595 2.595 0.909 0.000 -0.000 0.000 3/29403 870.0 2.565 2.565 0.899 0.000 -0.000 0.000 3/29403 880.0 2.536 2.536 0.889 0.000 -0.000 0.000 3/29403 890.0 2.507 2.507 0.879 0.000 -0.000 0.000 3/29403 900.0 2.480 2.480 0.870 0.000 -0.000 0.000 3/29403 910.0 2.452 2.452 0.860 0.000 -0.000 0.000 3/29403 920.0 2.426 2.426 0.851 0.000 -0.000 0.000 3/29403 930.0 2.400 2.400 0.842 0.000 -0.000 0.000 3/29403 940.0 2.374 2.374 0.833 0.000 -0.000 0.000 3/29403 950.0 2.349 2.349 0.825 0.000 -0.000 0.000 3/29403 960.0 2.325 2.325 0.816 0.000 -0.000 0.000 3/29403 970.0 2.301 2.301 0.808 0.000 -0.000 0.000 3/29403 980.0 2.277 2.277 0.800 0.000 -0.000 0.000 3/29403 990.0 2.254 2.254 0.792 0.000 -0.000 0.000 3/29403 1000.0 2.232 2.232 0.784 0.000 -0.000 0.000 3/29403 Thermal conductivity related properties were written into "kappa-m11119.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:55:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|