----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.110457210000000 3.110457210000000 2.745494600000000 b 3.110457210000000 -3.110457210000000 2.745494600000000 c 3.110457210000000 3.110457210000000 -2.745494600000000 Atomic positions (fractional): *1 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 2 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 *3 O 0.07424316252084 0.39557204897019 0.32132888644935 15.999 4 O 0.14557204897019 0.32424316252084 0.82132888644935 15.999 5 O 0.60442795102981 0.92575683747916 0.67867111355065 15.999 6 O 0.67575683747916 0.85442795102981 0.17867111355065 15.999 7 O 0.67575683747915 0.49708572392850 0.82132888644935 15.999 8 O 0.24708572392850 0.92575683747916 0.32132888644935 15.999 9 O 0.07424316252084 0.75291427607150 0.67867111355065 15.999 10 O 0.50291427607150 0.32424316252085 0.17867111355065 15.999 *11 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 12 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.220914420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220914420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.490989200000000 Atomic positions (fractional): *1 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.50000000000000 10.811 > 2 3 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 2 *5 O 0.82132888644935 0.50000000000000 0.57424316252084 15.999 > 3 6 O 0.50000000000000 0.32132888644935 0.82424316252084 15.999 > 4 7 O 0.00000000000000 0.67867111355065 0.92575683747916 15.999 > 5 8 O 0.17867111355065 0.00000000000000 0.67575683747916 15.999 > 6 9 O 0.32132888644935 0.50000000000000 0.17575683747915 15.999 > 7 10 O 0.00000000000000 0.32132888644935 0.92575683747916 15.999 > 8 11 O 0.17867111355065 0.50000000000000 0.57424316252084 15.999 > 9 12 O 0.00000000000000 0.17867111355065 0.32424316252085 15.999 > 10 13 O 0.32132888644935 0.00000000000000 0.07424316252084 15.999 > 3 14 O 0.00000000000000 0.82132888644935 0.32424316252085 15.999 > 4 15 O 0.50000000000000 0.17867111355065 0.42575683747915 15.999 > 5 16 O 0.67867111355065 0.50000000000000 0.17575683747915 15.999 > 6 17 O 0.82132888644935 0.00000000000000 0.67575683747916 15.999 > 7 18 O 0.50000000000000 0.82132888644935 0.42575683747915 15.999 > 8 19 O 0.67867111355065 0.00000000000000 0.07424316252084 15.999 > 9 20 O 0.50000000000000 0.67867111355065 0.82424316252084 15.999 > 10 *21 Ta 0.50000000000000 0.00000000000000 0.75000000000000 180.948 > 11 22 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 12 23 Ta 0.00000000000000 0.50000000000000 0.25000000000000 180.948 > 11 24 Ta 0.50000000000000 0.50000000000000 0.50000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.220914420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220914420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981978399999999 Atomic positions (fractional): *1 B 0.00000000000000 0.50000000000000 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.50000000000000 0.87500000000000 10.811 > 1 3 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 2 4 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 5 B 0.50000000000000 0.00000000000000 0.12500000000000 10.811 > 1 6 B 0.50000000000000 0.00000000000000 0.62500000000000 10.811 > 1 7 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 2 *9 O 0.82132888644935 0.50000000000000 0.28712158126042 15.999 > 3 10 O 0.82132888644935 0.50000000000000 0.78712158126042 15.999 > 3 11 O 0.50000000000000 0.32132888644935 0.41212158126042 15.999 > 4 12 O 0.50000000000000 0.32132888644935 0.91212158126042 15.999 > 4 13 O 0.00000000000000 0.67867111355065 0.46287841873958 15.999 > 5 14 O 0.00000000000000 0.67867111355065 0.96287841873958 15.999 > 5 15 O 0.17867111355065 0.00000000000000 0.33787841873958 15.999 > 6 16 O 0.17867111355065 0.00000000000000 0.83787841873958 15.999 > 6 17 O 0.32132888644935 0.50000000000000 0.08787841873958 15.999 > 7 18 O 0.32132888644935 0.50000000000000 0.58787841873958 15.999 > 7 19 O 0.00000000000000 0.32132888644935 0.46287841873958 15.999 > 8 20 O 0.00000000000000 0.32132888644935 0.96287841873958 15.999 > 8 21 O 0.17867111355065 0.50000000000000 0.28712158126042 15.999 > 9 22 O 0.17867111355065 0.50000000000000 0.78712158126042 15.999 > 9 23 O 0.00000000000000 0.17867111355065 0.16212158126042 15.999 > 10 24 O 0.00000000000000 0.17867111355065 0.66212158126042 15.999 > 10 25 O 0.32132888644935 0.00000000000000 0.03712158126042 15.999 > 3 26 O 0.32132888644935 0.00000000000000 0.53712158126042 15.999 > 3 27 O 0.00000000000000 0.82132888644935 0.16212158126042 15.999 > 4 28 O 0.00000000000000 0.82132888644935 0.66212158126042 15.999 > 4 29 O 0.50000000000000 0.17867111355065 0.21287841873958 15.999 > 5 30 O 0.50000000000000 0.17867111355065 0.71287841873958 15.999 > 5 31 O 0.67867111355065 0.50000000000000 0.08787841873958 15.999 > 6 32 O 0.67867111355065 0.50000000000000 0.58787841873958 15.999 > 6 33 O 0.82132888644935 0.00000000000000 0.33787841873958 15.999 > 7 34 O 0.82132888644935 0.00000000000000 0.83787841873958 15.999 > 7 35 O 0.50000000000000 0.82132888644935 0.21287841873958 15.999 > 8 36 O 0.50000000000000 0.82132888644935 0.71287841873958 15.999 > 8 37 O 0.67867111355065 0.00000000000000 0.03712158126042 15.999 > 9 38 O 0.67867111355065 0.00000000000000 0.53712158126042 15.999 > 9 39 O 0.50000000000000 0.67867111355065 0.41212158126042 15.999 > 10 40 O 0.50000000000000 0.67867111355065 0.91212158126042 15.999 > 10 *41 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 11 42 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 11 43 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 12 44 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 12 45 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 11 46 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 11 47 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 12 48 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1947624 0.0000000 0.0000000 0.0000000 5.1947624 0.0000000 0.0000000 0.0000000 5.1645590 -------------------------- Born effective charges -------------------------- 1 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 2 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 3 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 4 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 5 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 6 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 7 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 8 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 9 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 10 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 11 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 12 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 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: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.116 Solver_block: 160 / 160 - Time: 0.053 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.183 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 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: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:20:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:08]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.110457210000000 3.110457210000000 2.745494600000000 b 3.110457210000000 -3.110457210000000 2.745494600000000 c 3.110457210000000 3.110457210000000 -2.745494600000000 Atomic positions (fractional): 1 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 2 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 3 O 0.07424316252084 0.39557204897019 0.32132888644935 15.999 4 O 0.14557204897019 0.32424316252084 0.82132888644935 15.999 5 O 0.60442795102981 0.92575683747916 0.67867111355065 15.999 6 O 0.67575683747916 0.85442795102981 0.17867111355065 15.999 7 O 0.67575683747915 0.49708572392850 0.82132888644935 15.999 8 O 0.24708572392850 0.92575683747916 0.32132888644935 15.999 9 O 0.07424316252084 0.75291427607150 0.67867111355065 15.999 10 O 0.50291427607150 0.32424316252085 0.17867111355065 15.999 11 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 12 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.220914420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220914420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981978399999999 Atomic positions (fractional): 1 B 0.00000000000000 0.50000000000000 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.50000000000000 0.87500000000000 10.811 > 1 3 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 3 4 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 3 5 B 0.50000000000000 0.00000000000000 0.12500000000000 10.811 > 1 6 B 0.50000000000000 0.00000000000000 0.62500000000000 10.811 > 1 7 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 3 8 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 3 9 O 0.82132888644935 0.50000000000000 0.28712158126042 15.999 > 9 10 O 0.82132888644935 0.50000000000000 0.78712158126042 15.999 > 9 11 O 0.50000000000000 0.32132888644935 0.41212158126042 15.999 > 11 12 O 0.50000000000000 0.32132888644935 0.91212158126042 15.999 > 11 13 O 0.00000000000000 0.67867111355065 0.46287841873958 15.999 > 13 14 O 0.00000000000000 0.67867111355065 0.96287841873958 15.999 > 13 15 O 0.17867111355065 0.00000000000000 0.33787841873958 15.999 > 15 16 O 0.17867111355065 0.00000000000000 0.83787841873958 15.999 > 15 17 O 0.32132888644935 0.50000000000000 0.08787841873958 15.999 > 17 18 O 0.32132888644935 0.50000000000000 0.58787841873958 15.999 > 17 19 O 0.00000000000000 0.32132888644935 0.46287841873958 15.999 > 19 20 O 0.00000000000000 0.32132888644935 0.96287841873958 15.999 > 19 21 O 0.17867111355065 0.50000000000000 0.28712158126042 15.999 > 21 22 O 0.17867111355065 0.50000000000000 0.78712158126042 15.999 > 21 23 O 0.00000000000000 0.17867111355065 0.16212158126042 15.999 > 23 24 O 0.00000000000000 0.17867111355065 0.66212158126042 15.999 > 23 25 O 0.32132888644935 0.00000000000000 0.03712158126042 15.999 > 9 26 O 0.32132888644935 0.00000000000000 0.53712158126042 15.999 > 9 27 O 0.00000000000000 0.82132888644935 0.16212158126042 15.999 > 11 28 O 0.00000000000000 0.82132888644935 0.66212158126042 15.999 > 11 29 O 0.50000000000000 0.17867111355065 0.21287841873958 15.999 > 13 30 O 0.50000000000000 0.17867111355065 0.71287841873958 15.999 > 13 31 O 0.67867111355065 0.50000000000000 0.08787841873958 15.999 > 15 32 O 0.67867111355065 0.50000000000000 0.58787841873958 15.999 > 15 33 O 0.82132888644935 0.00000000000000 0.33787841873958 15.999 > 17 34 O 0.82132888644935 0.00000000000000 0.83787841873958 15.999 > 17 35 O 0.50000000000000 0.82132888644935 0.21287841873958 15.999 > 19 36 O 0.50000000000000 0.82132888644935 0.71287841873958 15.999 > 19 37 O 0.67867111355065 0.00000000000000 0.03712158126042 15.999 > 21 38 O 0.67867111355065 0.00000000000000 0.53712158126042 15.999 > 21 39 O 0.50000000000000 0.67867111355065 0.41212158126042 15.999 > 23 40 O 0.50000000000000 0.67867111355065 0.91212158126042 15.999 > 23 41 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 41 42 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 41 43 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 43 44 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 43 45 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 41 46 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 41 47 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 43 48 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1947624 0.0000000 0.0000000 0.0000000 5.1947624 0.0000000 0.0000000 0.0000000 5.1645590 -------------------------- Born effective charges -------------------------- 1 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 2 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 3 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 4 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 5 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 6 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 7 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 8 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 9 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 10 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 11 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 12 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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: 0.00000006 (xzx) 0.00000006 (xzx) 0.00000006 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:20:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:20:11]------------------------- 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): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.110457210000000 3.110457210000000 2.745494600000000 b 3.110457210000000 -3.110457210000000 2.745494600000000 c 3.110457210000000 3.110457210000000 -2.745494600000000 Atomic positions (fractional): 1 B 0.25000000000000 0.75000000000000 0.50000000000000 10.811 2 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 3 O 0.07424316252084 0.39557204897019 0.32132888644935 15.999 4 O 0.14557204897019 0.32424316252084 0.82132888644935 15.999 5 O 0.60442795102981 0.92575683747916 0.67867111355065 15.999 6 O 0.67575683747916 0.85442795102981 0.17867111355065 15.999 7 O 0.67575683747915 0.49708572392850 0.82132888644935 15.999 8 O 0.24708572392850 0.92575683747916 0.32132888644935 15.999 9 O 0.07424316252084 0.75291427607150 0.67867111355065 15.999 10 O 0.50291427607150 0.32424316252085 0.17867111355065 15.999 11 Ta 0.75000000000000 0.25000000000000 0.50000000000000 180.948 12 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.220914420000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.220914420000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.981978399999999 Atomic positions (fractional): 1 B 0.00000000000000 0.50000000000000 0.37500000000000 10.811 > 1 2 B 0.00000000000000 0.50000000000000 0.87500000000000 10.811 > 1 3 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 3 4 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 3 5 B 0.50000000000000 0.00000000000000 0.12500000000000 10.811 > 1 6 B 0.50000000000000 0.00000000000000 0.62500000000000 10.811 > 1 7 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 > 3 8 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 > 3 9 O 0.82132888644935 0.50000000000000 0.28712158126042 15.999 > 9 10 O 0.82132888644935 0.50000000000000 0.78712158126042 15.999 > 9 11 O 0.50000000000000 0.32132888644935 0.41212158126042 15.999 > 11 12 O 0.50000000000000 0.32132888644935 0.91212158126042 15.999 > 11 13 O 0.00000000000000 0.67867111355065 0.46287841873958 15.999 > 13 14 O 0.00000000000000 0.67867111355065 0.96287841873958 15.999 > 13 15 O 0.17867111355065 0.00000000000000 0.33787841873958 15.999 > 15 16 O 0.17867111355065 0.00000000000000 0.83787841873958 15.999 > 15 17 O 0.32132888644935 0.50000000000000 0.08787841873958 15.999 > 17 18 O 0.32132888644935 0.50000000000000 0.58787841873958 15.999 > 17 19 O 0.00000000000000 0.32132888644935 0.46287841873958 15.999 > 19 20 O 0.00000000000000 0.32132888644935 0.96287841873958 15.999 > 19 21 O 0.17867111355065 0.50000000000000 0.28712158126042 15.999 > 21 22 O 0.17867111355065 0.50000000000000 0.78712158126042 15.999 > 21 23 O 0.00000000000000 0.17867111355065 0.16212158126042 15.999 > 23 24 O 0.00000000000000 0.17867111355065 0.66212158126042 15.999 > 23 25 O 0.32132888644935 0.00000000000000 0.03712158126042 15.999 > 9 26 O 0.32132888644935 0.00000000000000 0.53712158126042 15.999 > 9 27 O 0.00000000000000 0.82132888644935 0.16212158126042 15.999 > 11 28 O 0.00000000000000 0.82132888644935 0.66212158126042 15.999 > 11 29 O 0.50000000000000 0.17867111355065 0.21287841873958 15.999 > 13 30 O 0.50000000000000 0.17867111355065 0.71287841873958 15.999 > 13 31 O 0.67867111355065 0.50000000000000 0.08787841873958 15.999 > 15 32 O 0.67867111355065 0.50000000000000 0.58787841873958 15.999 > 15 33 O 0.82132888644935 0.00000000000000 0.33787841873958 15.999 > 17 34 O 0.82132888644935 0.00000000000000 0.83787841873958 15.999 > 17 35 O 0.50000000000000 0.82132888644935 0.21287841873958 15.999 > 19 36 O 0.50000000000000 0.82132888644935 0.71287841873958 15.999 > 19 37 O 0.67867111355065 0.00000000000000 0.03712158126042 15.999 > 21 38 O 0.67867111355065 0.00000000000000 0.53712158126042 15.999 > 21 39 O 0.50000000000000 0.67867111355065 0.41212158126042 15.999 > 23 40 O 0.50000000000000 0.67867111355065 0.91212158126042 15.999 > 23 41 Ta 0.50000000000000 0.00000000000000 0.37500000000000 180.948 > 41 42 Ta 0.50000000000000 0.00000000000000 0.87500000000000 180.948 > 41 43 Ta 0.00000000000000 0.00000000000000 0.00000000000000 180.948 > 43 44 Ta 0.00000000000000 0.00000000000000 0.50000000000000 180.948 > 43 45 Ta 0.00000000000000 0.50000000000000 0.12500000000000 180.948 > 41 46 Ta 0.00000000000000 0.50000000000000 0.62500000000000 180.948 > 41 47 Ta 0.50000000000000 0.50000000000000 0.25000000000000 180.948 > 43 48 Ta 0.50000000000000 0.50000000000000 0.75000000000000 180.948 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1947624 0.0000000 0.0000000 0.0000000 5.1947624 0.0000000 0.0000000 0.0000000 5.1645590 -------------------------- Born effective charges -------------------------- 1 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 2 B 2.6342115 0.0000000 0.0000000 0.0000000 2.6342115 0.0000000 0.0000000 0.0000000 4.0139680 3 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 4 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 5 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 -0.2942686 0.0000000 -0.0472633 -2.2669725 6 O -3.5326978 0.0000000 -0.2942686 0.0000000 -1.0739426 0.0000000 -0.0472633 0.0000000 -2.2669725 7 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 8 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 9 O -3.5326978 0.0000000 0.2942686 0.0000000 -1.0739426 0.0000000 0.0472633 0.0000000 -2.2669725 10 O -1.0739426 0.0000000 0.0000000 0.0000000 -3.5326978 0.2942686 0.0000000 0.0472633 -2.2669725 11 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 12 Ta 6.5790694 0.0000000 0.0000000 0.0000000 6.5790694 0.0000000 0.0000000 0.0000000 5.0539218 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000006 (xzx) 0.00000006 (xzx) 0.00000006 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 8 144 ] Grid generation matrix: [ 0 8 8 ] [ 8 0 8 ] [ 9 9 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.88, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 125 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 4.556 ( 0.000 0.000 -0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 -0.000 0.000) 0.000 5.988 ( -0.000 0.000 -0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 -0.000 -0.000) 0.000 8.803 ( -0.000 0.000 0.000) 0.000 8.803 ( 0.000 -0.000 0.000) 0.000 9.420 ( 0.000 0.000 -0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 12.752 ( -0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 0.000) 0.000 13.679 ( 0.000 0.000 -0.000) 0.000 14.021 ( 0.000 -0.000 0.000) 0.000 14.869 ( 0.000 0.000 -0.000) 0.000 14.869 ( 0.000 -0.000 -0.000) 0.000 16.024 ( 0.000 0.000 0.000) 0.000 16.665 ( -0.000 -0.000 0.000) 0.000 17.143 ( 0.000 0.000 0.000) 0.000 17.143 ( 0.000 -0.000 -0.000) 0.000 20.639 ( -0.000 0.000 -0.000) 0.000 20.639 ( 0.000 -0.000 0.000) 0.000 20.690 ( 0.000 0.000 -0.000) 0.000 22.160 ( 0.000 -0.000 0.000) 0.000 24.252 ( 0.000 0.000 0.000) 0.000 25.154 ( -0.000 0.000 0.000) 0.000 25.154 ( -0.000 0.000 0.000) 0.000 27.117 ( -0.000 0.000 -0.000) 0.000 27.117 ( -0.000 0.000 0.000) 0.000 28.702 ( 0.000 -0.000 -0.000) 0.000 28.736 ( -0.000 0.000 0.000) 0.000 29.555 ( -0.000 0.000 0.000) 0.000 29.658 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 31.763 31.763 0.000) 44.920 1.595 ( 39.161 39.161 0.000) 55.383 1.884 ( 45.520 45.520 0.000) 64.376 4.866 ( 14.619 14.619 0.000) 20.674 5.634 ( -3.346 -3.346 0.000) 4.731 6.057 ( 2.927 2.927 0.000) 4.139 6.107 ( 5.419 5.419 0.000) 7.663 8.413 ( 2.031 2.031 0.000) 2.872 8.431 ( 2.947 2.947 0.000) 4.167 8.694 ( -5.175 -5.175 0.000) 7.318 9.445 ( 0.889 0.889 0.000) 1.258 9.889 ( 1.373 1.373 0.000) 1.942 11.433 ( -1.106 -1.106 0.000) 1.564 12.724 ( -1.145 -1.145 0.000) 1.619 13.684 ( -0.196 -0.196 0.000) 0.277 13.687 ( 0.523 0.523 0.000) 0.740 13.899 ( -5.387 -5.387 0.000) 7.618 14.716 ( -7.396 -7.396 0.000) 10.459 15.545 ( -6.991 -6.991 0.000) 9.887 15.707 ( -13.084 -13.084 0.000) 18.503 16.722 ( 3.837 3.837 0.000) 5.426 17.428 ( 11.628 11.628 0.000) 16.445 17.783 ( 14.125 14.125 0.000) 19.976 20.183 ( -13.537 -13.537 0.000) 19.145 20.505 ( -6.490 -6.490 0.000) 9.178 20.982 ( 5.179 5.179 0.000) 7.324 22.201 ( 2.054 2.054 0.000) 2.905 24.080 ( -7.684 -7.684 0.000) 10.867 25.246 ( 3.898 3.898 0.000) 5.513 26.985 ( -6.068 -6.068 0.000) 8.581 27.156 ( 2.096 2.096 0.000) 2.965 28.769 ( 1.793 1.793 0.000) 2.535 28.898 ( 8.982 8.982 0.000) 12.702 29.443 ( -5.512 -5.512 0.000) 7.796 29.752 ( 4.335 4.335 0.000) 6.131 30.836 ( -5.873 -5.873 0.000) 8.306 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 28.277 28.277 0.000) 39.989 3.116 ( 36.003 36.003 0.000) 50.915 3.605 ( 39.503 39.503 0.000) 55.866 5.423 ( -7.212 -7.212 0.000) 10.200 5.627 ( 21.741 21.741 0.000) 30.746 6.157 ( 1.148 1.148 0.000) 1.623 6.345 ( 5.020 5.020 0.000) 7.099 8.405 ( -9.108 -9.108 0.000) 12.881 8.542 ( 4.654 4.654 0.000) 6.582 8.607 ( 5.746 5.746 0.000) 8.126 9.458 ( -0.590 -0.590 0.000) 0.834 9.894 ( -2.235 -2.235 0.000) 3.161 11.448 ( 3.068 3.068 0.000) 4.338 12.695 ( 0.327 0.327 0.000) 0.463 13.455 ( -11.463 -11.463 0.000) 16.211 13.733 ( 1.939 1.939 0.000) 2.743 13.825 ( 2.431 2.431 0.000) 3.438 14.301 ( -12.800 -12.800 0.000) 18.102 15.119 ( -15.145 -15.145 0.000) 21.418 15.180 ( -10.595 -10.595 0.000) 14.984 17.010 ( 10.388 10.388 0.000) 14.691 17.951 ( 13.806 13.806 0.000) 19.524 18.493 ( 20.256 20.256 0.000) 28.646 19.586 ( -16.020 -16.020 0.000) 22.656 20.145 ( -11.012 -11.012 0.000) 15.574 21.048 ( -2.301 -2.301 0.000) 3.254 22.328 ( 4.313 4.313 0.000) 6.100 23.703 ( -10.483 -10.483 0.000) 14.826 25.428 ( 5.053 5.053 0.000) 7.147 26.674 ( -8.947 -8.947 0.000) 12.653 27.302 ( 5.431 5.431 0.000) 7.680 28.898 ( 4.862 4.862 0.000) 6.875 29.120 ( -10.386 -10.386 0.000) 14.688 29.342 ( 12.047 12.047 0.000) 17.036 29.959 ( 5.222 5.222 0.000) 7.384 30.507 ( -10.167 -10.167 0.000) 14.379 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.558 ( 23.071 23.071 0.000) 32.627 4.408 ( 25.304 25.304 0.000) 35.785 5.010 ( 29.839 29.839 0.000) 42.199 5.077 ( -7.825 -7.825 0.000) 11.066 6.035 ( -6.912 -6.912 0.000) 9.776 6.391 ( -3.988 -3.988 0.000) 5.640 6.541 ( 21.471 21.471 0.000) 30.364 7.960 ( -13.136 -13.136 0.000) 18.576 8.810 ( 8.841 8.841 0.000) 12.504 8.876 ( 7.329 7.329 0.000) 10.364 9.375 ( -3.672 -3.672 0.000) 5.193 9.662 ( -9.018 -9.018 0.000) 12.753 11.733 ( 10.957 10.957 0.000) 15.495 12.805 ( 5.675 5.675 0.000) 8.026 12.902 ( -15.277 -15.277 0.000) 21.604 13.730 ( -14.954 -14.954 0.000) 21.148 13.860 ( 4.620 4.620 0.000) 6.534 14.001 ( 6.146 6.146 0.000) 8.691 14.549 ( -12.718 -12.718 0.000) 17.986 14.734 ( -11.164 -11.164 0.000) 15.788 17.532 ( 15.207 15.207 0.000) 21.506 18.517 ( 14.281 14.281 0.000) 20.196 18.908 ( -17.533 -17.533 0.000) 24.795 19.348 ( 21.582 21.582 0.000) 30.522 19.649 ( -13.347 -13.347 0.000) 18.875 20.776 ( -11.258 -11.258 0.000) 15.922 22.551 ( 6.800 6.800 0.000) 9.617 23.272 ( -10.590 -10.590 0.000) 14.977 25.655 ( 6.337 6.337 0.000) 8.963 26.299 ( -9.347 -9.347 0.000) 13.218 27.610 ( 9.926 9.926 0.000) 14.037 28.633 ( -13.417 -13.417 0.000) 18.975 29.169 ( 8.588 8.588 0.000) 12.145 29.793 ( 9.655 9.655 0.000) 13.654 30.052 ( -12.012 -12.012 0.000) 16.988 30.114 ( 1.867 1.867 0.000) 2.640 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.361 ( -16.488 -16.488 0.000) 23.317 4.361 ( 16.488 16.488 0.000) 23.317 5.522 ( -18.180 -18.180 0.000) 25.711 5.522 ( 18.180 18.180 0.000) 25.711 5.965 ( -17.366 -17.366 0.000) 24.559 5.965 ( 17.366 17.366 0.000) 24.559 7.340 ( -17.780 -17.780 0.000) 25.145 7.340 ( 17.780 17.780 0.000) 25.145 9.165 ( -6.587 -6.587 0.000) 9.315 9.165 ( 6.587 6.587 0.000) 9.315 9.232 ( -11.468 -11.468 0.000) 16.218 9.232 ( 11.468 11.468 0.000) 16.218 12.276 ( -15.259 -15.259 0.000) 21.580 12.276 ( 15.259 15.259 0.000) 21.580 13.168 ( -12.143 -12.143 0.000) 17.173 13.168 ( 12.143 12.143 0.000) 17.173 14.121 ( -8.509 -8.509 0.000) 12.033 14.121 ( 8.509 8.509 0.000) 12.033 14.315 ( -9.363 -9.363 0.000) 13.241 14.315 ( 9.363 9.363 0.000) 13.241 18.198 ( -17.489 -17.489 0.000) 24.734 18.198 ( 17.489 17.489 0.000) 24.734 19.092 ( -14.211 -14.211 0.000) 20.098 19.092 ( 14.211 14.211 0.000) 20.098 20.168 ( -18.461 -18.461 0.000) 26.108 20.168 ( 18.461 18.461 0.000) 26.108 22.872 ( -9.122 -9.122 0.000) 12.900 22.872 ( 9.122 9.122 0.000) 12.900 25.945 ( -8.097 -8.097 0.000) 11.451 25.945 ( 8.097 8.097 0.000) 11.451 28.084 ( -13.276 -13.276 0.000) 18.775 28.084 ( 13.276 13.276 0.000) 18.775 29.575 ( -11.340 -11.340 0.000) 16.037 29.575 ( 11.340 11.340 0.000) 16.037 30.074 ( -4.041 -4.041 0.000) 5.716 30.074 ( 4.041 4.041 0.000) 5.716 ======================= Grid point 9 (6/125) ======================= q-point: ( 0.12 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -0.000 16.266 35.697) 39.228 1.458 ( -0.000 37.864 33.581) 50.610 2.322 ( -0.000 49.083 61.368) 78.582 4.830 ( -0.000 14.697 11.012) 18.364 5.771 ( -0.000 -3.088 9.074) 9.585 6.021 ( 0.000 3.091 -0.348) 3.110 6.052 ( 0.000 5.740 -0.052) 5.741 8.096 ( 0.000 1.316 -20.602) 20.644 8.246 ( 0.000 6.139 -15.747) 16.902 9.030 ( -0.000 1.488 12.912) 12.997 9.467 ( -0.000 0.911 3.064) 3.197 9.823 ( 0.000 46.529 -48.604) 67.285 9.909 ( -0.000 4.235 2.061) 4.710 13.428 ( -0.000 -25.125 5.283) 25.674 13.685 ( 0.000 0.358 -0.012) 0.358 13.909 ( 0.000 -6.086 -4.699) 7.689 14.203 ( -0.000 -27.767 30.364) 41.146 14.897 ( -0.000 -1.751 4.367) 4.705 15.509 ( -0.000 -19.742 1.629) 19.809 16.004 ( 0.000 3.839 -8.791) 9.593 16.785 ( -0.000 6.258 7.309) 9.622 17.223 ( -0.000 -0.620 8.583) 8.605 17.594 ( 0.000 23.077 -2.274) 23.188 20.229 ( 0.000 -17.160 -9.813) 19.768 20.520 ( 0.000 -0.535 -10.932) 10.945 20.759 ( 0.000 7.519 -12.116) 14.260 22.405 ( -0.000 -4.724 17.826) 18.441 24.409 ( -0.000 -0.994 14.841) 14.875 25.231 ( -0.000 -1.115 8.401) 8.474 26.440 ( 0.000 67.894 -71.168) 98.359 27.016 ( 0.000 -4.154 -5.724) 7.072 27.071 ( 0.000 0.431 -4.749) 4.769 28.708 ( 0.000 1.066 -3.609) 3.763 29.457 ( 0.000 1.253 -10.224) 10.300 29.690 ( 0.000 3.570 -0.705) 3.639 33.246 ( -0.000 -75.568 77.037) 107.913 ======================= Grid point 10 (7/125) ======================= q-point: ( 0.12 -0.01 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 37.528 22.431 12.603) 45.501 2.464 ( 28.667 29.768 26.937) 49.331 3.593 ( 8.824 58.860 32.525) 67.825 5.365 ( 11.452 24.797 8.067) 28.480 5.632 ( -5.059 -5.803 7.852) 10.997 6.127 ( 1.774 3.629 -0.215) 4.045 6.224 ( 4.377 5.605 -1.170) 7.207 8.145 ( 0.077 2.265 -19.823) 19.952 8.362 ( 1.705 5.190 -12.252) 13.415 8.919 ( -10.617 1.605 12.292) 16.321 9.481 ( -0.215 0.204 1.830) 1.854 9.989 ( -1.742 4.446 3.935) 6.188 10.669 ( 20.731 9.226 -39.942) 45.938 12.917 ( -3.888 -12.261 9.433) 15.951 13.565 ( -6.396 -10.336 -5.052) 13.163 13.773 ( -1.363 -0.813 -2.623) 3.066 13.901 ( -1.331 -6.125 13.976) 15.317 14.626 ( -14.403 -7.052 4.800) 16.740 15.251 ( 5.783 -18.059 5.646) 19.785 15.650 ( -16.144 -9.186 8.159) 20.287 16.965 ( -0.319 10.677 7.427) 13.010 17.591 ( 21.560 7.335 0.403) 22.777 18.144 ( 7.659 24.672 -4.308) 26.190 19.735 ( -7.570 -20.418 -5.788) 22.532 20.393 ( -9.590 -5.440 -3.337) 11.520 20.862 ( 3.662 -1.437 -14.183) 14.718 22.406 ( 1.518 2.871 13.404) 13.792 24.132 ( -17.306 -3.858 13.838) 22.492 25.358 ( 9.566 -0.661 7.749) 12.328 26.757 ( -7.363 -8.567 -8.650) 14.228 27.160 ( 5.828 2.048 -3.950) 7.332 27.655 ( 15.431 26.535 -71.186) 77.522 28.763 ( 2.249 2.547 -5.154) 6.173 29.451 ( -0.880 -2.137 -5.377) 5.853 29.824 ( 7.586 1.888 2.201) 8.121 31.951 ( -21.270 -24.982 69.398) 76.763 ======================= Grid point 11 (8/125) ======================= q-point: ( 0.12 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( 26.813 25.886 5.653) 37.696 3.699 ( 45.102 16.781 17.009) 51.040 4.864 ( 8.132 47.858 17.759) 51.690 5.332 ( -10.013 -8.379 5.747) 14.265 6.111 ( 1.470 0.641 2.949) 3.357 6.204 ( 12.438 20.511 1.948) 24.066 6.391 ( 3.302 1.783 -1.165) 3.929 8.091 ( -9.472 -1.416 -12.676) 15.887 8.552 ( 4.252 7.509 -15.708) 17.922 8.790 ( -3.448 2.547 4.413) 6.152 9.454 ( -1.165 -1.485 2.378) 3.036 9.933 ( -6.527 -2.272 8.470) 10.932 11.195 ( 19.533 6.768 -21.065) 29.514 12.805 ( 1.212 2.039 5.032) 5.563 13.086 ( -11.541 -16.953 -7.114) 21.707 13.767 ( -0.949 -0.887 -6.109) 6.245 13.815 ( 0.265 -0.717 -0.715) 1.047 14.128 ( -16.147 -9.779 6.200) 19.870 14.958 ( -3.659 -11.549 13.312) 18.000 15.180 ( -9.014 -11.294 18.590) 23.545 17.274 ( 11.123 9.520 5.070) 15.494 18.178 ( 14.013 13.512 -4.594) 20.002 18.862 ( 15.584 18.573 -7.507) 25.381 19.168 ( -6.920 -16.446 0.045) 17.842 19.984 ( -15.995 -8.152 -0.058) 17.953 20.778 ( -2.842 -8.878 -13.584) 16.475 22.559 ( 4.024 6.621 11.178) 13.601 23.672 ( -16.938 -6.476 12.235) 21.875 25.534 ( 7.707 1.178 3.112) 8.395 26.398 ( -9.049 -9.771 -8.724) 15.921 27.386 ( 10.504 4.058 -2.936) 11.637 28.191 ( 6.060 5.714 -45.868) 46.618 28.904 ( 5.004 3.569 -8.249) 10.287 29.367 ( -1.738 -1.557 -8.592) 8.903 30.026 ( 12.165 -2.991 6.819) 14.263 31.254 ( -22.456 -2.990 48.659) 53.674 ======================= Grid point 12 (9/125) ======================= q-point: ( 0.12 -0.01 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( 18.348 21.831 6.502) 29.249 4.693 ( 5.830 -4.486 10.630) 12.927 5.002 ( 19.549 1.131 3.404) 19.875 5.729 ( -5.014 -12.518 1.064) 13.527 5.837 ( 5.179 17.110 8.058) 19.609 6.337 ( -10.157 -0.992 3.561) 10.809 7.016 ( 13.235 24.663 -0.243) 27.991 7.686 ( -19.618 -8.157 -4.220) 21.661 8.785 ( 3.025 5.981 -20.634) 21.695 8.864 ( 1.031 3.383 -11.917) 12.431 9.405 ( 1.973 -2.767 9.044) 9.661 9.696 ( -10.017 -1.269 15.425) 18.436 11.781 ( 20.397 11.311 -12.630) 26.523 12.444 ( -12.920 -20.148 -9.139) 25.620 13.034 ( 6.026 11.579 4.355) 13.761 13.485 ( -14.376 -10.561 1.201) 17.878 13.834 ( -0.621 1.499 -7.978) 8.141 13.854 ( -0.849 -0.274 -9.739) 9.780 14.745 ( 0.081 -3.972 24.548) 24.867 14.851 ( -4.046 -7.468 26.013) 27.364 17.768 ( 18.284 8.769 -1.240) 20.316 18.361 ( -8.846 -12.630 -8.906) 17.807 18.896 ( 11.744 6.224 4.418) 14.006 19.467 ( -17.478 -7.029 2.298) 18.978 19.700 ( 17.982 19.221 -7.728) 27.432 20.378 ( -12.476 -15.126 -10.738) 22.355 22.830 ( 6.225 9.769 10.253) 15.469 23.221 ( -14.265 -6.458 11.413) 19.377 25.740 ( 8.004 4.195 -2.889) 9.487 26.034 ( -7.504 -9.262 -7.008) 13.828 27.712 ( 14.400 1.051 -8.813) 16.915 28.176 ( -5.488 -3.759 -12.610) 14.257 29.071 ( 8.052 -1.345 -12.685) 15.085 29.337 ( -3.455 2.346 -21.093) 21.502 30.152 ( 13.506 -10.493 14.750) 22.585 30.910 ( -22.050 13.502 34.260) 42.921 ======================= Grid point 17 (10/125) ======================= q-point: ( 0.24 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.000 13.574 31.843) 34.616 2.855 ( -0.000 33.814 32.514) 46.910 4.352 ( -0.000 40.787 47.008) 62.237 5.496 ( -0.000 22.137 15.253) 26.884 5.888 ( -0.000 -6.185 10.565) 12.242 6.061 ( 0.000 3.889 -3.530) 5.252 6.167 ( 0.000 5.371 -0.606) 5.405 7.724 ( 0.000 -0.140 -15.977) 15.977 8.114 ( 0.000 10.856 -12.180) 16.316 9.254 ( -0.000 3.605 3.159) 4.793 9.542 ( -0.000 -1.244 3.863) 4.058 9.671 ( 0.000 9.333 -22.639) 24.488 10.150 ( -0.000 11.341 6.980) 13.317 13.048 ( -0.000 -16.521 2.002) 16.642 13.510 ( 0.000 -13.239 -8.646) 15.812 13.776 ( 0.000 2.087 0.068) 2.088 14.153 ( -0.000 -16.181 7.855) 17.986 14.959 ( -0.000 -3.520 6.547) 7.433 15.152 ( -0.000 -11.228 -4.492) 12.094 15.830 ( 0.000 -3.335 -7.753) 8.440 17.195 ( -0.000 13.791 11.375) 17.877 17.464 ( -0.000 -0.434 16.112) 16.118 18.035 ( 0.000 20.168 0.570) 20.176 19.672 ( 0.000 -15.611 -10.122) 18.606 20.198 ( 0.000 -0.845 -18.833) 18.852 20.520 ( 0.000 -0.499 -17.140) 17.147 22.759 ( -0.000 -0.477 21.270) 21.276 24.711 ( -0.000 -2.141 15.483) 15.630 25.427 ( -0.000 -2.165 13.474) 13.647 26.339 ( 0.000 21.113 -27.139) 34.384 26.739 ( 0.000 -1.872 -14.192) 14.315 26.953 ( 0.000 1.292 -8.352) 8.452 28.653 ( 0.000 0.691 -3.007) 3.085 29.237 ( 0.000 2.501 -13.918) 14.141 29.749 ( 0.000 4.544 -2.285) 5.086 33.293 ( -0.000 -35.188 37.416) 51.363 ======================= Grid point 18 (11/125) ======================= q-point: ( 0.24 -0.01 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 31.754 15.206 20.342) 40.661 3.621 ( 13.391 27.577 27.491) 41.177 5.228 ( 1.139 39.693 24.379) 46.596 5.676 ( -7.779 -6.834 9.486) 14.043 6.079 ( 7.719 24.498 7.149) 26.662 6.174 ( 0.948 -1.370 3.479) 3.858 6.247 ( 5.479 4.105 -2.416) 7.260 7.788 ( 4.180 1.056 -17.911) 18.423 8.274 ( -4.342 10.162 -11.056) 15.632 9.041 ( -17.751 -0.633 -3.590) 18.122 9.516 ( 1.266 -2.193 3.702) 4.485 10.020 ( 13.004 0.675 -11.263) 17.217 10.479 ( 9.387 14.428 1.147) 17.251 12.874 ( 0.987 -2.087 3.451) 4.152 13.115 ( -6.602 -17.464 -8.616) 20.562 13.750 ( -6.477 2.393 -2.124) 7.225 13.870 ( -0.110 -11.604 3.472) 12.113 14.597 ( -16.302 -7.583 5.947) 18.937 15.095 ( 7.705 -9.398 5.379) 13.290 15.614 ( -3.422 -10.289 7.215) 13.025 17.389 ( 0.457 6.589 16.139) 17.438 17.805 ( 17.181 10.863 2.658) 20.500 18.493 ( 5.188 18.889 -7.212) 20.874 19.265 ( -5.158 -15.106 -1.839) 16.068 20.120 ( -5.739 -5.765 -11.827) 14.354 20.428 ( 0.782 -7.180 -18.358) 19.727 22.815 ( 1.743 4.542 18.886) 19.503 24.385 ( -20.627 -3.607 16.590) 26.716 25.496 ( 7.410 -3.293 8.614) 11.830 26.306 ( -6.585 -9.796 -14.997) 19.085 26.980 ( 4.837 8.894 -23.345) 25.445 27.241 ( 12.409 16.183 -19.627) 28.304 28.686 ( 2.312 0.529 -4.679) 5.246 29.253 ( 0.007 -2.205 -8.117) 8.411 29.875 ( 8.875 -0.826 0.792) 8.949 32.588 ( -16.825 -15.045 38.191) 44.361 ======================= Grid point 19 (12/125) ======================= q-point: ( 0.24 -0.01 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.749 ( 34.078 16.410 10.828) 39.343 4.443 ( 22.893 16.761 18.990) 34.141 5.270 ( -13.262 -10.552 6.452) 18.134 5.841 ( -4.090 4.479 1.187) 6.181 5.967 ( 1.795 -3.334 9.198) 9.947 6.470 ( 4.895 8.437 6.360) 11.645 6.825 ( 7.880 27.055 2.635) 28.302 7.839 ( -4.890 0.520 -11.488) 12.496 8.345 ( -7.253 8.345 -19.669) 22.563 8.707 ( -8.826 -1.941 -10.600) 13.930 9.498 ( 3.707 -4.654 6.109) 8.528 10.127 ( -2.498 2.475 8.637) 9.325 11.080 ( 20.272 13.048 -9.409) 25.880 12.493 ( -11.441 -20.665 -9.455) 25.443 13.056 ( 3.331 9.524 5.439) 11.462 13.622 ( -7.538 -1.012 -3.370) 8.319 13.710 ( 0.673 -4.213 -2.008) 4.716 14.107 ( -16.066 -7.050 6.728) 18.790 15.058 ( 6.454 -7.801 12.150) 15.815 15.375 ( -0.899 -8.166 17.837) 19.638 17.599 ( 9.194 4.862 13.208) 16.811 18.249 ( 2.396 3.279 -7.589) 8.608 18.757 ( 10.659 -5.615 3.614) 12.577 19.244 ( 7.703 15.586 -8.229) 19.235 19.765 ( -12.455 -8.493 -4.545) 15.745 20.233 ( -4.211 -10.418 -19.229) 22.272 23.010 ( 3.752 9.109 16.820) 19.492 23.881 ( -20.645 -3.581 17.360) 27.210 25.561 ( 5.186 -1.748 -0.844) 5.537 25.970 ( -6.806 -8.530 -12.451) 16.556 27.194 ( 8.896 -0.632 -17.277) 19.444 27.797 ( 6.666 15.439 -20.259) 26.329 28.760 ( 5.084 -1.217 -6.482) 8.327 29.149 ( -1.715 -5.157 -3.997) 6.746 30.044 ( 16.038 -8.532 4.900) 18.816 32.068 ( -23.806 4.937 31.197) 39.552 ======================= Grid point 20 (13/125) ======================= q-point: ( 0.24 -0.01 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.634 ( 0.365 -0.365 6.992) 7.011 4.642 ( 4.151 -4.151 10.997) 12.466 5.144 ( 6.381 -6.381 -1.037) 9.084 5.384 ( 15.263 -15.263 18.849) 28.657 6.127 ( -4.834 4.834 -4.777) 8.340 6.627 ( -6.078 6.078 12.925) 15.522 7.372 ( -6.468 6.468 -6.071) 10.979 7.591 ( -11.562 11.562 0.854) 16.374 8.360 ( -0.407 0.407 -24.891) 24.898 8.623 ( -6.189 6.189 -17.740) 19.782 9.485 ( 6.754 -6.754 8.196) 12.586 10.114 ( -5.906 5.906 14.822) 17.014 11.674 ( 7.904 -7.904 -14.841) 18.579 11.908 ( 1.149 -1.149 -5.461) 5.698 13.296 ( -2.575 2.575 -0.252) 3.651 13.477 ( -7.250 7.250 5.992) 11.875 13.680 ( 1.365 -1.365 -3.797) 4.259 13.815 ( -2.001 2.001 3.182) 4.259 15.047 ( 7.191 -7.191 14.559) 17.759 15.278 ( 2.888 -2.888 22.067) 22.442 17.862 ( 4.699 -4.699 8.601) 10.870 18.085 ( 2.017 -2.017 -2.179) 3.589 18.985 ( 4.380 -4.380 2.109) 6.543 19.418 ( 0.029 -0.029 -1.666) 1.666 19.737 ( -1.358 1.358 -15.525) 15.643 19.888 ( -1.342 1.342 -15.335) 15.452 23.241 ( -2.196 2.196 14.643) 14.968 23.532 ( -9.036 9.036 18.945) 22.852 25.638 ( 3.450 -3.450 -10.471) 11.552 25.763 ( -0.031 0.031 -5.613) 5.613 27.284 ( 6.279 -6.279 -18.179) 20.231 28.036 ( -5.362 5.362 -15.568) 17.317 28.805 ( 6.587 -6.587 -4.266) 10.246 29.060 ( 0.074 -0.074 -6.228) 6.229 30.128 ( 16.314 -16.314 8.287) 24.515 31.871 ( -20.530 20.530 26.455) 39.279 ======================= Grid point 25 (14/125) ======================= q-point: ( 0.24 -0.01 -0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -16.799 16.799 34.007) 41.483 2.364 ( -26.077 26.077 29.692) 47.346 3.873 ( -17.824 17.824 62.685) 67.564 5.264 ( -11.575 11.575 18.203) 24.480 5.948 ( 4.788 -4.788 11.631) 13.459 6.050 ( -3.531 3.531 -0.825) 5.061 6.067 ( -4.304 4.304 -3.387) 6.965 7.813 ( -2.891 2.891 -9.535) 10.375 7.880 ( -3.641 3.641 -18.399) 19.106 9.104 ( 4.156 -4.156 3.332) 6.756 9.558 ( -0.073 0.073 5.822) 5.823 9.660 ( -18.017 18.017 -15.061) 29.598 10.021 ( -5.232 5.232 4.216) 8.516 13.338 ( 13.175 -13.175 2.379) 18.784 13.595 ( 5.680 -5.680 -5.145) 9.539 13.733 ( 3.275 -3.275 -6.521) 7.999 14.403 ( 12.389 -12.389 10.040) 20.194 14.861 ( 7.647 -7.647 4.425) 11.685 15.413 ( 1.841 -1.841 -15.521) 15.738 15.736 ( -3.266 3.266 -5.290) 7.022 17.070 ( -4.252 4.252 15.550) 16.672 17.608 ( -6.325 6.325 11.261) 14.381 17.725 ( -10.707 10.707 6.726) 16.569 19.786 ( 10.312 -10.312 -15.648) 21.390 20.318 ( -0.866 0.866 -15.704) 15.752 20.428 ( -4.330 4.330 -22.129) 22.961 22.784 ( 1.409 -1.409 21.694) 21.785 24.603 ( 9.770 -9.770 18.906) 23.416 25.562 ( -2.653 2.653 12.506) 13.057 26.024 ( -21.157 21.157 -19.095) 35.494 26.751 ( 7.303 -7.303 -11.693) 15.601 27.006 ( -3.799 3.799 -6.523) 8.451 28.648 ( -0.839 0.839 -2.489) 2.758 29.205 ( -3.331 3.331 -16.387) 17.051 29.698 ( -5.527 5.527 -4.215) 8.880 33.728 ( 31.238 -31.238 30.060) 53.434 ======================= Grid point 26 (15/125) ======================= q-point: ( 0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( -0.000 9.262 23.696) 25.442 4.079 ( -0.000 25.703 27.382) 37.556 5.620 ( -0.000 14.784 10.188) 17.954 5.921 ( 0.000 3.421 -8.985) 9.614 5.987 ( -0.000 3.162 5.529) 6.369 6.305 ( -0.000 1.146 15.440) 15.483 6.316 ( -0.000 20.088 13.273) 24.077 7.461 ( 0.000 -2.730 -7.792) 8.256 8.170 ( 0.000 9.252 -4.383) 10.238 9.300 ( 0.000 4.023 -5.720) 6.993 9.313 ( 0.000 -3.396 -16.189) 16.541 9.569 ( -0.000 -3.161 3.881) 5.005 10.621 ( -0.000 16.025 10.482) 19.149 12.937 ( -0.000 -0.754 4.099) 4.168 12.971 ( 0.000 -17.573 -11.575) 21.043 13.854 ( 0.000 2.960 1.296) 3.231 13.908 ( -0.000 -14.591 0.656) 14.606 14.897 ( 0.000 -5.557 -4.283) 7.016 15.010 ( -0.000 -3.954 5.880) 7.086 15.600 ( 0.000 -4.254 -6.328) 7.624 17.697 ( -0.000 11.924 9.761) 15.410 17.839 ( -0.000 0.151 20.367) 20.368 18.359 ( 0.000 11.479 -1.200) 11.541 19.298 ( -0.000 -8.119 -0.606) 8.141 19.757 ( 0.000 -0.892 -21.997) 22.015 20.099 ( 0.000 -5.524 -17.272) 18.133 23.209 ( -0.000 2.152 20.500) 20.613 24.855 ( -0.000 -4.952 4.318) 6.570 25.661 ( -0.000 -2.637 13.803) 14.053 26.177 ( -0.000 -6.702 -2.575) 7.180 26.471 ( 0.000 14.151 -22.533) 26.608 26.800 ( 0.000 2.136 -9.685) 9.918 28.623 ( -0.000 -1.434 0.343) 1.475 29.044 ( 0.000 3.663 -10.274) 10.907 29.757 ( 0.000 1.654 -3.201) 3.604 33.348 ( -0.000 -16.701 19.803) 25.905 ======================= Grid point 27 (16/125) ======================= q-point: ( 0.35 -0.02 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.363 ( 27.938 9.077 16.511) 33.697 4.582 ( 4.343 18.733 18.177) 26.461 5.587 ( -7.194 -7.115 3.689) 10.770 5.892 ( -3.609 3.834 -5.521) 7.629 6.023 ( 2.357 -13.767 -0.656) 13.982 6.553 ( 6.860 15.194 16.095) 23.172 6.803 ( 3.550 22.990 5.786) 23.971 7.488 ( 4.270 1.117 -13.670) 14.365 8.277 ( -6.708 7.979 -7.941) 13.104 8.811 ( -21.922 -3.242 -10.721) 24.618 9.496 ( 5.776 -6.513 1.753) 8.880 9.862 ( 20.390 5.502 -7.864) 22.536 10.919 ( 0.919 12.441 8.283) 14.974 12.523 ( -7.894 -16.978 -7.152) 20.043 13.068 ( 4.486 6.633 3.523) 8.748 13.694 ( 0.143 -5.458 0.855) 5.527 13.778 ( -9.562 0.510 0.304) 9.581 14.542 ( -14.406 -7.311 3.781) 16.592 15.064 ( 8.664 -5.768 6.201) 12.116 15.539 ( 4.720 -6.336 2.755) 8.367 17.836 ( 2.237 2.210 17.014) 17.302 18.052 ( 10.081 4.223 4.614) 11.864 18.596 ( 4.116 7.453 -4.197) 9.492 19.147 ( -1.571 -0.650 3.858) 4.216 19.720 ( -2.104 -3.666 -17.466) 17.970 19.889 ( -2.646 -10.884 -15.699) 19.285 23.322 ( 1.374 7.720 17.792) 19.444 24.589 ( -15.424 -3.304 9.332) 18.327 25.554 ( -3.878 -4.146 5.346) 7.798 25.897 ( -7.165 -6.991 -6.088) 11.717 26.714 ( 0.538 7.988 -20.164) 21.696 27.193 ( 17.575 10.870 -13.913) 24.912 28.614 ( 3.838 -3.336 0.339) 5.096 29.093 ( 0.489 -0.062 -4.643) 4.669 29.800 ( 10.065 -7.230 -0.153) 12.394 33.005 ( -15.172 -0.828 20.243) 25.311 ======================= Grid point 28 (17/125) ======================= q-point: ( 0.35 -0.02 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.224 ( 36.811 8.368 9.767) 38.994 4.912 ( 2.622 -2.644 2.139) 4.294 5.148 ( -11.369 -10.739 5.472) 16.568 5.649 ( 2.360 -15.019 15.448) 21.675 6.017 ( 0.337 3.015 -9.404) 9.881 6.885 ( 2.220 6.622 8.454) 10.966 7.258 ( 3.091 11.235 -4.487) 12.487 7.691 ( 4.206 11.961 -12.412) 17.743 8.111 ( -21.639 1.221 -10.745) 24.191 8.470 ( -10.547 5.640 -13.166) 17.787 9.481 ( 8.134 -8.656 6.275) 13.433 10.277 ( 8.861 3.438 -1.237) 9.585 11.156 ( 9.374 -0.161 -7.037) 11.722 12.062 ( -11.185 -5.764 3.362) 13.024 13.290 ( 2.986 5.367 -0.528) 6.164 13.561 ( -6.044 -1.653 -4.903) 7.956 13.755 ( 0.197 8.710 7.594) 11.557 14.113 ( -13.827 -5.418 6.988) 16.413 15.094 ( 7.796 -7.392 7.621) 13.172 15.528 ( 5.545 -5.466 10.303) 12.914 17.957 ( 6.416 0.574 9.103) 11.151 18.148 ( 1.377 -5.514 10.410) 11.861 18.879 ( 13.131 2.826 6.021) 14.720 19.241 ( 2.788 2.120 -8.879) 9.544 19.505 ( -5.379 -3.216 -8.702) 10.724 19.639 ( -5.487 -6.198 -21.399) 22.944 23.542 ( 1.163 9.266 14.503) 17.250 24.211 ( -18.148 3.034 16.118) 24.461 25.409 ( -1.427 -3.054 -5.737) 6.654 25.708 ( -4.084 -0.561 -4.116) 5.826 26.833 ( 3.104 0.047 -17.303) 17.579 27.654 ( 5.354 8.156 -19.519) 21.822 28.635 ( 8.163 -7.045 2.420) 11.051 29.063 ( -0.223 -1.900 2.323) 3.010 29.859 ( 17.248 -15.046 0.935) 22.907 32.761 ( -21.511 14.618 18.193) 31.740 ======================= Grid point 32 (18/125) ======================= q-point: ( 0.35 -0.02 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -8.454 25.004 27.481) 38.104 3.579 ( -32.430 9.521 26.783) 43.124 5.196 ( -15.569 -0.452 25.490) 29.872 5.882 ( -4.499 6.274 6.991) 10.415 5.994 ( -3.325 -2.085 11.462) 12.115 6.090 ( -4.115 3.996 0.261) 5.742 6.244 ( -9.022 4.998 10.441) 14.676 7.585 ( 4.521 3.968 -5.378) 8.069 7.924 ( -9.686 -3.153 0.515) 10.200 8.976 ( 4.612 -12.987 -7.435) 15.660 9.626 ( -8.184 16.591 -13.373) 22.827 9.686 ( 2.299 3.833 7.645) 8.856 10.322 ( -13.061 1.941 7.754) 15.313 13.092 ( 12.968 0.020 1.883) 13.104 13.215 ( 12.336 -7.256 -10.921) 18.003 13.650 ( -2.979 -10.254 -2.470) 10.960 14.238 ( 16.071 -1.304 2.588) 16.330 14.754 ( 2.768 -13.338 -4.547) 14.362 15.187 ( -0.415 6.081 -4.144) 7.370 15.678 ( -1.172 3.569 -6.195) 7.244 17.538 ( -10.805 7.392 13.334) 18.687 17.934 ( -0.788 8.774 16.934) 19.089 18.153 ( -10.851 1.822 9.202) 14.344 19.334 ( 5.966 -8.682 -10.672) 14.995 19.879 ( 3.655 7.068 -20.842) 22.309 20.083 ( -3.380 -3.316 -21.730) 22.240 23.214 ( 0.810 0.554 21.920) 21.942 24.771 ( 7.011 -14.846 12.452) 20.606 25.738 ( 4.166 0.904 6.933) 8.139 26.114 ( -7.191 1.523 -3.832) 8.289 26.307 ( 3.258 -6.871 -17.971) 19.514 26.969 ( -3.045 12.039 -3.734) 12.967 28.666 ( -0.073 2.321 3.086) 3.862 28.976 ( -6.159 3.776 -14.455) 16.160 29.727 ( -8.544 7.424 -7.218) 13.424 33.611 ( 25.203 -17.457 16.657) 34.891 ======================= Grid point 34 (19/125) ======================= q-point: ( 0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( -0.000 3.186 7.761) 8.390 4.855 ( -0.000 8.678 8.649) 12.252 5.703 ( -0.000 -2.087 0.913) 2.278 5.765 ( 0.000 -0.340 -5.642) 5.652 5.976 ( -0.000 -5.655 -0.586) 5.685 6.762 ( -0.000 5.755 7.971) 9.832 6.857 ( 0.000 9.729 2.676) 10.090 7.276 ( 0.000 -0.684 -3.987) 4.045 8.233 ( 0.000 2.952 -2.615) 3.944 9.012 ( 0.000 -2.096 -5.262) 5.664 9.224 ( 0.000 -0.698 -3.452) 3.522 9.597 ( 0.000 1.513 0.611) 1.632 11.053 ( -0.000 5.230 3.717) 6.416 12.501 ( -0.000 -7.068 -2.991) 7.675 13.062 ( -0.000 2.446 1.280) 2.761 13.714 ( -0.000 -2.444 0.873) 2.596 13.911 ( -0.000 0.392 0.345) 0.522 14.756 ( -0.000 -3.888 0.275) 3.898 15.047 ( -0.000 -1.315 3.188) 3.448 15.449 ( 0.000 -1.730 -1.683) 2.414 17.957 ( -0.000 0.580 2.412) 2.481 18.222 ( -0.000 0.175 13.643) 13.644 18.466 ( 0.000 5.715 -3.665) 6.790 19.344 ( 0.000 -0.467 -13.973) 13.981 19.357 ( -0.000 0.479 11.951) 11.961 19.645 ( 0.000 -7.372 -13.375) 15.272 23.600 ( -0.000 3.642 8.712) 9.443 24.752 ( 0.000 -2.316 -1.901) 2.996 25.848 ( -0.000 -1.453 7.758) 7.893 26.054 ( -0.000 -10.724 8.632) 13.766 26.358 ( 0.000 14.187 -18.320) 23.171 26.668 ( 0.000 1.556 -6.279) 6.469 28.599 ( -0.000 -2.623 1.898) 3.238 28.971 ( 0.000 2.464 -4.375) 5.021 29.700 ( -0.000 -3.432 0.164) 3.436 33.437 ( -0.000 -0.886 6.760) 6.818 ======================= Grid point 35 (20/125) ======================= q-point: (-0.53 -0.03 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.680 ( 26.776 2.309 1.263) 26.905 4.860 ( -1.169 -8.362 -7.968) 11.609 5.471 ( -8.425 -13.492 5.347) 16.781 5.790 ( 1.032 0.678 -3.831) 4.025 5.875 ( 4.712 -1.984 9.130) 10.464 6.882 ( 1.507 1.546 -5.583) 5.986 6.997 ( 7.597 -2.565 -9.784) 12.650 7.445 ( -0.819 15.676 -4.968) 16.465 8.237 ( -5.599 3.108 -8.045) 10.282 8.640 ( -21.336 1.729 -1.878) 21.488 9.390 ( 12.354 -7.267 3.830) 14.836 9.866 ( 14.723 6.717 -5.863) 17.213 10.985 ( -0.442 -10.956 -6.563) 12.779 12.405 ( -7.371 5.467 10.434) 13.895 13.149 ( 5.263 1.787 -2.909) 6.274 13.692 ( -10.445 -1.922 -0.206) 10.622 13.877 ( 0.077 9.503 4.124) 10.359 14.506 ( -11.217 -4.840 5.916) 13.574 15.096 ( 5.440 -3.231 5.462) 8.359 15.505 ( 8.283 -2.958 3.465) 9.453 17.937 ( 3.842 -5.878 -0.070) 7.023 18.317 ( 8.461 0.022 12.865) 15.398 18.661 ( 3.798 8.583 -9.358) 13.254 19.257 ( -4.535 -3.905 -2.823) 6.616 19.358 ( 0.071 -2.425 3.026) 3.879 19.438 ( -1.867 -7.465 -6.240) 9.907 23.716 ( 0.529 6.314 2.044) 6.658 24.696 ( -7.861 4.803 4.413) 10.215 25.632 ( -16.327 -1.910 9.722) 19.099 25.779 ( -5.975 -1.005 1.012) 6.143 26.462 ( -0.715 3.201 -16.087) 16.418 27.099 ( 18.471 5.188 -11.108) 22.169 28.577 ( 6.399 -6.175 6.177) 10.827 29.026 ( 1.068 1.459 -5.858) 6.131 29.622 ( 9.287 -13.098 4.902) 16.788 33.400 ( -14.058 11.811 7.956) 20.011 ======================= Grid point 36 (21/125) ======================= q-point: (-0.53 -0.03 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.296 ( 16.051 -16.051 -9.083) 24.449 4.464 ( 17.806 -17.806 -2.261) 25.282 5.199 ( -5.129 5.129 2.794) 7.773 5.813 ( -2.330 2.330 0.568) 3.344 5.933 ( 2.768 -2.768 8.472) 9.333 6.903 ( 2.640 -2.640 -12.082) 12.646 7.052 ( 8.793 -8.793 -10.837) 16.494 7.672 ( -10.165 10.165 -14.227) 20.225 8.146 ( -6.605 6.605 -1.348) 9.437 8.435 ( -12.269 12.269 -4.469) 17.917 9.439 ( 9.968 -9.968 8.246) 16.332 10.177 ( 4.973 -4.973 -8.048) 10.688 10.774 ( 8.990 -8.990 -11.013) 16.821 12.396 ( -10.092 10.092 15.813) 21.301 13.373 ( -2.195 2.195 0.596) 3.161 13.377 ( -0.500 0.500 -6.983) 7.019 14.144 ( -8.859 8.859 4.510) 13.316 14.201 ( -2.115 2.115 9.578) 10.034 15.114 ( 4.816 -4.816 6.508) 9.421 15.572 ( 6.432 -6.432 6.171) 10.992 17.912 ( 5.837 -5.837 -0.681) 8.283 18.441 ( 4.783 -4.783 14.406) 15.915 18.893 ( 6.039 -6.039 -10.956) 13.892 19.021 ( -1.886 1.886 -9.516) 9.883 19.318 ( 0.921 -0.921 4.112) 4.313 19.367 ( -1.112 1.112 -0.193) 1.584 23.804 ( -2.124 2.124 -1.865) 3.536 24.651 ( -12.721 12.721 8.582) 19.932 25.433 ( -6.210 6.210 8.195) 12.012 25.702 ( -3.669 3.669 -0.060) 5.189 26.490 ( 1.347 -1.347 -15.171) 15.290 27.356 ( 2.906 -2.906 -14.341) 14.918 28.587 ( 9.387 -9.387 9.404) 16.268 29.054 ( 0.064 -0.064 -5.335) 5.336 29.577 ( 15.782 -15.782 6.093) 23.136 33.373 ( -18.591 18.591 8.210) 27.543 ======================= Grid point 39 (22/125) ======================= q-point: ( 0.47 -0.03 -0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( -3.847 25.916 13.776) 29.601 4.591 ( -18.352 2.415 18.011) 25.827 5.567 ( -11.641 -7.436 -4.046) 14.393 5.766 ( 4.785 -1.871 -1.165) 5.269 6.038 ( -0.850 5.427 -6.015) 8.146 6.646 ( -11.251 3.540 14.151) 18.422 6.753 ( -5.752 6.397 16.817) 18.889 7.404 ( 8.730 0.368 -1.161) 8.814 8.119 ( -3.377 -3.957 3.607) 6.330 8.699 ( 4.425 -20.789 -7.205) 22.443 9.517 ( -4.994 17.788 -8.571) 20.367 9.749 ( 4.696 9.953 5.599) 12.347 10.818 ( -15.553 -0.654 9.423) 18.197 12.639 ( 13.590 -7.794 -12.000) 19.734 13.080 ( 0.298 5.162 3.905) 6.480 13.694 ( -2.930 -12.398 -0.543) 12.751 13.935 ( 12.719 1.135 -1.297) 12.835 14.622 ( 0.021 -12.487 -4.929) 13.425 15.163 ( -1.022 6.460 -1.274) 6.664 15.570 ( 0.845 7.108 -3.540) 7.985 17.927 ( -9.603 7.663 2.852) 12.612 18.296 ( -0.192 7.500 14.277) 16.129 18.446 ( 0.844 1.603 8.748) 8.933 19.192 ( -3.620 -7.742 -1.578) 8.691 19.449 ( 2.152 3.829 -10.707) 11.573 19.691 ( 0.247 -2.599 -18.911) 19.091 23.583 ( 0.734 0.843 13.884) 13.929 24.755 ( 6.396 -9.527 -0.427) 11.483 25.732 ( 2.947 -12.583 2.118) 13.096 25.889 ( 3.255 -15.149 -9.635) 18.246 26.262 ( -4.971 6.825 0.761) 8.478 26.974 ( 0.116 17.495 1.099) 17.530 28.692 ( -0.277 6.929 -1.915) 7.194 28.929 ( -3.675 1.473 -0.459) 3.986 29.750 ( -7.935 9.465 -6.433) 13.926 33.430 ( 14.107 -15.331 5.189) 21.470 ======================= Grid point 40 (23/125) ======================= q-point: ( 0.47 -0.03 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.963 ( -15.503 15.503 22.212) 31.210 4.294 ( -21.773 21.773 13.974) 33.814 5.298 ( 0.877 -0.877 -4.449) 4.619 5.811 ( 5.213 -5.213 -1.201) 7.470 6.098 ( -2.856 2.856 -5.303) 6.665 6.559 ( -9.179 9.179 19.183) 23.163 6.760 ( -8.773 8.773 18.789) 22.516 7.524 ( 4.737 -4.737 0.593) 6.725 8.022 ( 0.965 -0.965 8.400) 8.510 8.519 ( 13.283 -13.283 -10.045) 21.301 9.646 ( -11.576 11.576 -12.011) 20.305 9.983 ( -4.249 4.249 10.704) 12.276 10.573 ( -8.341 8.341 8.815) 14.726 12.706 ( 12.462 -12.462 -14.456) 22.794 13.233 ( 1.275 -1.275 7.222) 7.444 13.416 ( 2.413 -2.413 -3.505) 4.893 14.186 ( 8.889 -8.889 0.236) 12.573 14.397 ( 5.345 -5.345 -8.817) 11.613 15.216 ( -4.793 4.793 -3.955) 7.847 15.664 ( -3.182 3.182 -3.387) 5.633 17.903 ( -11.280 11.280 1.706) 16.043 18.407 ( -4.223 4.223 14.407) 15.596 18.504 ( -2.710 2.710 20.376) 20.734 19.017 ( 2.909 -2.909 -7.246) 8.333 19.561 ( 1.524 -1.524 -18.145) 18.273 19.610 ( -1.321 1.321 -18.130) 18.226 23.614 ( 0.239 -0.239 15.631) 15.634 24.686 ( 12.511 -12.511 5.039) 18.396 25.685 ( 10.688 -10.688 -14.941) 21.254 25.718 ( 4.955 -4.955 -1.121) 7.097 26.286 ( -7.136 7.136 3.263) 10.607 27.161 ( -4.265 4.265 4.604) 7.588 28.810 ( -7.099 7.099 -12.097) 15.720 28.874 ( -2.111 2.111 9.966) 10.403 29.764 ( -14.400 14.400 -10.064) 22.715 33.413 ( 21.365 -21.365 4.577) 30.559 ======================= Grid point 42 (24/125) ======================= q-point: (-0.41 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.265 ( 0.000 -3.614 -13.834) 14.298 4.571 ( 0.000 -20.001 -20.492) 28.636 5.683 ( -0.000 -7.260 1.978) 7.525 5.753 ( -0.000 -1.318 5.763) 5.912 5.974 ( -0.000 1.536 4.453) 4.710 6.608 ( 0.000 -13.029 -14.997) 19.866 6.685 ( 0.000 -4.554 -16.308) 16.932 7.401 ( 0.000 9.616 -0.827) 9.652 8.159 ( 0.000 -4.476 -3.224) 5.517 9.061 ( -0.000 2.528 8.616) 8.979 9.187 ( -0.000 -3.361 4.210) 5.387 9.642 ( 0.000 4.943 -3.167) 5.871 10.826 ( 0.000 -15.616 -9.554) 18.306 12.724 ( -0.000 13.421 12.527) 18.359 13.020 ( 0.000 0.303 -3.892) 3.904 13.877 ( -0.000 -2.787 -0.933) 2.939 13.886 ( 0.000 12.747 2.813) 13.054 14.771 ( -0.000 -2.269 7.217) 7.565 15.083 ( 0.000 2.128 -0.821) 2.281 15.475 ( -0.000 0.432 4.993) 5.012 17.847 ( 0.000 -9.189 -4.102) 10.063 18.215 ( 0.000 -0.488 -13.692) 13.700 18.430 ( 0.000 0.989 -8.249) 8.308 19.326 ( 0.000 -2.470 -3.766) 4.504 19.354 ( -0.000 0.537 14.627) 14.637 19.718 ( -0.000 -0.163 20.042) 20.043 23.575 ( 0.000 0.881 -14.130) 14.158 24.849 ( -0.000 7.215 3.513) 8.025 25.877 ( 0.000 1.339 -5.311) 5.477 26.089 ( -0.000 -10.144 14.803) 17.945 26.284 ( 0.000 10.198 -11.724) 15.538 26.645 ( -0.000 -0.710 3.652) 3.720 28.619 ( -0.000 -0.823 3.249) 3.352 28.913 ( -0.000 -3.268 -0.102) 3.270 29.659 ( -0.000 -6.995 6.251) 9.381 33.589 ( 0.000 13.652 -4.530) 14.384 ======================= Grid point 43 (25/125) ======================= q-point: (-0.41 -0.03 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.474 ( 25.000 -3.458 -19.213) 31.719 4.074 ( 3.992 -31.662 -21.198) 38.311 5.398 ( -7.733 -3.126 0.633) 8.365 5.827 ( 4.433 0.423 4.917) 6.634 6.080 ( -1.145 5.442 2.834) 6.242 6.408 ( 4.971 -11.308 -22.594) 25.750 6.584 ( 7.546 -11.735 -19.018) 23.587 7.597 ( -2.290 9.739 -6.197) 11.769 8.044 ( -1.102 -3.953 -9.999) 10.808 8.809 ( -15.176 6.415 7.666) 18.172 9.393 ( 13.302 -6.825 9.604) 17.770 9.843 ( 7.717 3.604 -7.569) 11.395 10.492 ( 1.052 -15.395 -9.073) 17.901 12.908 ( -7.363 12.367 15.485) 21.141 13.183 ( 3.940 10.293 -3.268) 11.496 13.613 ( -13.950 -4.453 1.061) 14.682 14.225 ( 3.129 14.697 4.036) 15.559 14.580 ( -9.733 -4.192 9.742) 14.395 15.137 ( 2.376 -1.014 2.373) 3.508 15.546 ( 7.785 -3.927 6.578) 10.922 17.721 ( 6.275 -9.359 -5.995) 12.763 18.284 ( 6.819 -0.962 -14.134) 15.722 18.446 ( 1.890 -2.568 -17.986) 18.266 19.141 ( -8.041 -0.457 7.613) 11.082 19.484 ( 6.539 1.220 15.878) 17.215 19.638 ( -1.798 -4.893 20.970) 21.608 23.613 ( 0.219 1.602 -16.427) 16.506 24.935 ( -10.303 11.501 -3.079) 15.745 25.805 ( -5.456 4.042 1.024) 6.867 25.947 ( -9.301 2.487 16.523) 19.123 26.204 ( -3.502 -0.022 -11.332) 11.861 26.970 ( 15.313 -1.464 -4.740) 16.097 28.635 ( 8.071 -6.171 11.855) 15.613 28.853 ( 0.636 -3.246 -7.972) 8.631 29.540 ( 7.304 -11.101 10.750) 17.092 33.787 ( -14.226 19.537 -1.502) 24.214 ======================= Grid point 46 (26/125) ======================= q-point: (-0.41 -0.03 0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 3.345 26.579 -7.469) 27.810 4.838 ( 7.243 -1.224 -6.408) 9.748 5.647 ( -4.016 -5.171 -2.328) 6.949 5.772 ( 3.982 0.217 4.514) 6.023 6.006 ( -6.989 3.048 0.727) 7.660 6.784 ( 5.625 1.830 -5.455) 8.046 6.935 ( 9.797 7.237 -5.770) 13.478 7.283 ( -1.360 0.921 6.149) 6.365 8.179 ( 2.738 -5.368 2.036) 6.361 8.639 ( -1.469 -22.996 5.047) 23.589 9.523 ( -5.047 15.777 -0.830) 16.586 9.740 ( 4.738 13.757 3.438) 14.950 11.048 ( 5.367 -0.381 -3.633) 6.492 12.415 ( -6.970 -8.145 3.026) 11.139 13.120 ( 2.388 5.131 -1.416) 5.834 13.700 ( -1.277 -4.340 0.028) 4.524 13.795 ( -0.572 -6.411 -0.803) 6.487 14.588 ( -3.083 -13.176 -1.019) 13.570 15.155 ( -1.998 7.702 -2.494) 8.339 15.543 ( -1.420 7.337 0.832) 7.520 18.024 ( -1.067 6.345 -4.220) 7.694 18.305 ( 0.968 7.923 -12.499) 14.830 18.491 ( 6.343 2.547 3.828) 7.834 19.256 ( 2.273 -5.360 0.539) 5.847 19.402 ( -2.301 1.099 3.616) 4.425 19.615 ( -7.239 -2.959 11.923) 14.259 23.609 ( 3.554 0.921 -8.556) 9.310 24.672 ( -1.801 -8.405 -0.352) 8.603 25.681 ( -2.468 -17.524 -6.978) 19.023 25.821 ( -3.111 -10.974 3.238) 11.857 26.375 ( 5.436 5.750 10.555) 13.192 27.002 ( 3.412 18.245 5.028) 19.230 28.665 ( -2.809 6.458 -3.213) 7.741 28.989 ( 2.323 1.693 4.318) 5.187 29.801 ( -3.515 10.588 -0.126) 11.156 33.276 ( -0.525 -15.677 -6.651) 17.038 ======================= Grid point 47 (27/125) ======================= q-point: ( 0.59 -0.03 -0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.342 ( 1.644 35.463 0.753) 35.509 4.850 ( -4.995 0.791 5.782) 7.681 5.286 ( -15.216 -9.812 -7.439) 19.574 5.797 ( -1.852 0.393 6.301) 6.580 5.977 ( -2.062 4.850 -10.434) 11.690 6.914 ( 2.476 1.040 5.142) 5.801 7.183 ( -3.378 9.928 6.935) 12.572 7.426 ( 12.230 -1.015 8.513) 14.935 8.051 ( 3.084 -13.533 -2.014) 14.026 8.244 ( 6.200 -16.144 7.712) 18.935 9.640 ( -9.759 12.715 -9.274) 18.517 10.175 ( 3.917 13.613 7.839) 16.190 11.000 ( -10.253 2.941 8.507) 13.643 12.204 ( 7.232 -12.107 -9.901) 17.231 13.267 ( 2.228 5.470 1.914) 6.209 13.478 ( -3.347 -8.933 3.009) 10.003 13.888 ( 11.116 0.557 -4.962) 12.186 14.245 ( -2.715 -13.361 -5.894) 14.854 15.222 ( -5.535 6.742 -5.167) 10.138 15.651 ( -1.721 5.139 -2.803) 6.101 18.051 ( -7.628 7.247 -4.893) 11.604 18.499 ( -1.214 7.905 -15.579) 17.512 18.790 ( 10.061 9.133 13.941) 19.468 19.148 ( -5.774 -6.374 12.692) 15.332 19.335 ( -0.337 -1.934 -3.335) 3.870 19.393 ( -5.512 -2.388 -0.714) 6.050 23.730 ( 4.880 0.848 -2.180) 5.412 24.454 ( 5.868 -14.949 -7.225) 17.610 25.366 ( 0.854 -8.409 -2.555) 8.830 25.645 ( 1.849 -6.840 1.790) 7.308 26.531 ( -1.993 6.008 11.142) 12.814 27.320 ( 4.934 3.418 12.037) 13.450 28.742 ( -5.900 8.777 -7.280) 12.839 29.052 ( 0.442 1.253 4.118) 4.327 29.926 ( -16.700 20.923 -5.512) 27.332 33.010 ( 15.590 -23.760 -6.224) 29.092 ======================= Grid point 50 (28/125) ======================= q-point: (-0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( 0.000 -7.920 -28.985) 30.047 3.493 ( 0.000 -32.506 -29.941) 44.194 5.212 ( 0.000 -19.008 -32.534) 37.679 5.790 ( 0.000 -9.892 -6.840) 12.026 6.013 ( 0.000 -9.173 -5.642) 10.769 6.063 ( 0.000 6.667 -5.547) 8.674 6.200 ( 0.000 -8.809 -6.746) 11.096 7.538 ( -0.000 4.538 2.058) 4.983 7.963 ( -0.000 -11.017 1.432) 11.109 9.229 ( -0.000 -2.604 4.410) 5.122 9.331 ( -0.000 -1.941 13.265) 13.406 9.642 ( 0.000 3.364 -5.581) 6.516 10.306 ( 0.000 -14.563 -8.330) 16.777 13.085 ( 0.000 14.138 -2.026) 14.282 13.289 ( -0.000 13.599 13.059) 18.854 13.789 ( -0.000 -3.284 -0.978) 3.427 14.237 ( 0.000 17.477 -0.200) 17.479 14.950 ( -0.000 -0.220 13.705) 13.707 15.081 ( 0.000 2.981 -4.743) 5.602 15.621 ( -0.000 -3.051 10.553) 10.985 17.459 ( 0.000 -10.811 -12.296) 16.373 17.836 ( 0.000 -0.155 -19.835) 19.835 18.138 ( 0.000 -10.329 -10.170) 14.495 19.455 ( -0.000 7.211 10.320) 12.589 19.773 ( -0.000 0.661 22.220) 22.230 20.117 ( -0.000 -3.912 22.276) 22.617 23.207 ( 0.000 1.362 -22.036) 22.078 24.954 ( 0.000 5.532 -8.224) 9.911 25.710 ( 0.000 2.138 -13.443) 13.612 26.069 ( -0.000 -11.349 3.860) 11.988 26.480 ( -0.000 9.043 10.247) 13.667 26.767 ( -0.000 -1.256 9.264) 9.349 28.639 ( 0.000 0.369 -1.365) 1.414 28.934 ( -0.000 -7.326 14.478) 16.226 29.652 ( -0.000 -7.634 7.152) 10.461 33.797 ( 0.000 26.341 -14.512) 30.074 ======================= Grid point 51 (29/125) ======================= q-point: (-0.29 -0.04 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 13.132 -13.132 -32.235) 37.202 2.967 ( 20.215 -20.215 -28.727) 40.528 4.992 ( 5.164 -5.164 -43.337) 43.948 5.685 ( 8.533 -8.533 -23.032) 26.002 5.954 ( 3.448 -3.448 7.504) 8.949 6.054 ( 7.750 -7.750 -3.867) 11.623 6.150 ( -5.651 5.651 -7.317) 10.835 7.656 ( -0.506 0.506 2.735) 2.827 7.763 ( 4.088 -4.088 -4.671) 7.433 9.079 ( -5.861 5.861 4.859) 9.608 9.429 ( 10.667 -10.667 9.552) 17.855 9.702 ( 0.571 -0.571 -7.980) 8.021 10.125 ( 6.155 -6.155 -5.773) 10.444 13.383 ( -11.004 11.004 -2.435) 15.751 13.415 ( -8.092 8.092 12.546) 16.981 13.631 ( -2.992 2.992 3.622) 5.570 14.523 ( -10.040 10.040 -2.429) 14.405 14.803 ( -3.847 3.847 14.723) 15.696 15.158 ( 1.973 -1.973 4.232) 5.069 15.577 ( 8.547 -8.547 8.763) 14.929 17.361 ( 5.891 -5.891 -12.494) 15.017 17.907 ( 3.645 -3.645 -17.486) 18.230 17.970 ( 5.280 -5.280 -16.769) 18.356 19.469 ( -7.596 7.596 15.103) 18.534 19.919 ( 4.232 -4.232 22.455) 23.239 19.960 ( 3.386 -3.386 23.116) 23.607 23.231 ( -0.592 0.592 -21.809) 21.825 24.958 ( -10.751 10.751 -15.205) 21.502 25.791 ( -0.087 0.087 -8.819) 8.820 25.921 ( 7.829 -7.829 -4.354) 11.897 26.478 ( -10.556 10.556 14.437) 20.767 26.881 ( 6.160 -6.160 4.596) 9.849 28.657 ( 0.847 -0.847 -3.925) 4.104 28.835 ( 6.740 -6.740 19.331) 21.554 29.569 ( 6.032 -6.032 8.525) 12.060 34.092 ( -19.907 19.907 -8.721) 29.473 ======================= Grid point 53 (30/125) ======================= q-point: (-0.29 -0.04 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( 9.663 26.795 -21.850) 35.900 4.154 ( 24.425 7.956 -24.572) 35.548 5.564 ( 16.424 -4.366 -7.002) 18.380 5.795 ( -4.304 -7.776 -0.183) 8.890 6.132 ( 4.035 7.784 3.217) 9.339 6.345 ( 13.724 5.309 -17.028) 22.506 6.376 ( 10.140 5.045 -14.130) 18.109 7.508 ( -2.750 4.375 9.456) 10.776 8.113 ( 8.743 -5.678 3.780) 11.089 8.887 ( -4.250 -18.871 9.965) 21.760 9.612 ( -4.855 5.815 -4.564) 8.844 9.757 ( 5.264 19.752 11.590) 23.498 10.622 ( 15.902 0.483 -9.511) 18.535 12.861 ( -14.613 -6.917 8.380) 18.210 13.007 ( -3.109 2.807 -1.764) 4.545 13.714 ( 2.832 -10.681 1.426) 11.142 13.928 ( -13.841 0.414 -1.890) 13.976 14.672 ( -5.425 -15.166 -0.693) 16.122 15.159 ( -3.292 8.439 -1.452) 9.174 15.644 ( -3.884 3.009 2.794) 5.652 17.740 ( 7.961 4.498 -15.785) 18.242 17.966 ( 3.010 10.937 -13.610) 17.717 18.386 ( 11.984 3.119 2.417) 12.617 19.221 ( -5.326 -6.389 1.873) 8.526 19.798 ( -4.166 2.720 19.254) 19.886 20.061 ( -5.372 -3.650 17.763) 18.913 23.222 ( 2.311 1.355 -20.260) 20.436 24.665 ( -4.176 -16.635 -9.754) 19.731 25.645 ( -4.784 -1.384 -5.798) 7.643 26.050 ( -7.722 -10.655 8.771) 15.814 26.483 ( 13.852 5.289 20.174) 25.036 27.036 ( 4.662 15.132 6.356) 17.062 28.657 ( -1.164 3.312 -1.717) 3.908 29.066 ( 2.798 1.933 9.674) 10.254 29.851 ( 2.458 9.556 3.216) 10.379 33.177 ( -16.157 -16.415 -20.336) 30.725 ======================= Grid point 54 (31/125) ======================= q-point: (-0.29 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 11.885 32.532 -14.625) 37.596 4.746 ( 11.908 13.293 -9.806) 20.363 5.394 ( -10.011 -11.287 -6.132) 16.285 5.824 ( 9.961 -3.255 2.509) 10.776 6.083 ( -15.581 3.988 -2.418) 16.264 6.671 ( 12.193 3.437 -10.624) 16.533 6.917 ( 19.844 7.665 -7.278) 22.483 7.596 ( 0.377 5.689 13.331) 14.499 8.045 ( 4.546 -15.313 7.965) 17.849 8.448 ( -2.923 -14.182 13.800) 20.003 9.647 ( -7.394 9.495 -8.280) 14.608 10.184 ( 5.354 9.507 3.028) 11.323 11.000 ( 13.623 8.678 -1.184) 16.195 12.312 ( -16.790 -12.825 7.894) 22.554 13.162 ( 6.784 4.244 -4.696) 9.278 13.549 ( 1.682 -9.273 3.245) 9.967 13.734 ( -5.603 1.429 -2.857) 6.450 14.231 ( -6.065 -15.593 -4.978) 17.456 15.235 ( -6.126 8.312 -5.792) 11.839 15.615 ( -3.394 2.090 -6.042) 7.238 17.929 ( 2.125 6.340 -16.915) 18.189 18.213 ( -0.520 4.411 -6.203) 7.629 18.763 ( 8.939 12.833 5.196) 16.480 19.128 ( 5.120 0.427 0.878) 5.212 19.638 ( -7.943 -6.135 8.454) 13.123 19.812 ( -9.523 -5.203 20.850) 23.505 23.366 ( 7.287 3.096 -17.113) 18.856 24.213 ( -2.397 -19.820 -14.222) 24.511 25.495 ( -5.305 -1.746 5.655) 7.948 25.744 ( -3.079 -7.502 8.510) 11.755 26.810 ( 3.344 7.967 18.222) 20.167 27.436 ( 11.506 5.409 14.855) 19.553 28.728 ( -2.473 7.221 -2.930) 8.176 29.097 ( -1.203 -0.336 2.527) 2.818 30.120 ( -8.431 21.822 -2.482) 23.525 32.578 ( 1.726 -26.498 -18.892) 32.589 ======================= Grid point 55 (32/125) ======================= q-point: (-0.29 -0.04 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( -2.716 2.716 -8.479) 9.308 4.887 ( -3.080 3.080 -12.577) 13.309 5.060 ( -8.271 8.271 6.917) 13.589 5.775 ( -9.492 9.492 -18.231) 22.640 5.999 ( 0.600 -0.600 7.874) 7.920 6.849 ( 6.366 -6.366 -7.047) 11.433 7.297 ( 1.691 -1.691 0.468) 2.437 7.637 ( 10.989 -10.989 -3.960) 16.037 7.855 ( -0.333 0.333 24.282) 24.287 8.272 ( 8.384 -8.384 15.968) 19.889 9.673 ( -10.259 10.259 -10.210) 17.741 10.328 ( 2.496 -2.496 -5.757) 6.753 11.382 ( -8.081 8.081 13.631) 17.788 11.858 ( 5.199 -5.199 -1.024) 7.424 13.296 ( 1.563 -1.563 -0.397) 2.245 13.480 ( 3.777 -3.777 3.719) 6.509 13.748 ( 1.316 -1.316 -7.217) 7.453 13.923 ( 2.804 -2.804 -6.434) 7.558 15.254 ( -7.921 7.921 -6.783) 13.096 15.602 ( -1.850 1.850 -9.734) 10.079 18.073 ( -3.151 3.151 -2.730) 5.226 18.163 ( -1.874 1.874 -20.051) 20.225 19.098 ( -5.167 5.167 -7.388) 10.391 19.312 ( -3.528 3.528 11.564) 12.594 19.427 ( 3.627 -3.627 11.456) 12.551 19.523 ( 1.294 -1.294 19.682) 19.766 23.547 ( 1.721 -1.721 -14.110) 14.319 23.908 ( 10.008 -10.008 -17.145) 22.232 25.417 ( -1.985 1.985 10.260) 10.637 25.637 ( 2.662 -2.662 6.494) 7.507 26.924 ( -5.284 5.284 16.370) 17.995 27.618 ( 7.604 -7.604 21.243) 23.809 28.798 ( -6.936 6.936 -2.877) 10.223 29.059 ( 0.091 -0.091 -2.378) 2.381 30.283 ( -23.140 23.140 -6.879) 33.440 32.300 ( 22.637 -22.637 -15.788) 35.696 ======================= Grid point 59 (33/125) ======================= q-point: (-0.17 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 -8.426 -37.917) 38.842 2.154 ( 0.000 -33.296 -35.055) 48.348 3.699 ( 0.000 -22.260 -68.503) 72.029 5.145 ( 0.000 -12.254 -19.639) 23.148 5.993 ( 0.000 3.139 -9.924) 10.408 5.994 ( -0.000 -2.516 2.803) 3.766 6.044 ( -0.000 -4.662 -0.579) 4.698 7.736 ( -0.000 0.748 12.992) 13.013 7.885 ( -0.000 -11.216 14.572) 18.389 9.204 ( 0.000 -1.440 -3.845) 4.105 9.388 ( -0.000 -16.109 8.064) 18.015 9.555 ( 0.000 0.188 -5.671) 5.674 9.971 ( 0.000 -6.173 -3.993) 7.352 13.456 ( 0.000 20.258 -0.034) 20.258 13.678 ( -0.000 2.342 1.856) 2.988 13.778 ( -0.000 3.354 7.028) 7.788 14.544 ( 0.000 24.111 -8.175) 25.460 15.012 ( 0.000 1.695 -6.360) 6.582 15.347 ( -0.000 7.610 16.905) 18.539 15.713 ( -0.000 -15.836 16.290) 22.719 17.034 ( 0.000 -2.040 -14.267) 14.412 17.471 ( 0.000 0.280 -15.602) 15.604 17.666 ( 0.000 -15.820 -9.149) 18.275 19.937 ( -0.000 11.065 17.073) 20.344 20.211 ( -0.000 0.443 18.978) 18.984 20.419 ( -0.000 -10.185 20.583) 22.965 22.802 ( 0.000 3.047 -20.854) 21.076 24.763 ( 0.000 3.819 -18.313) 18.707 25.461 ( 0.000 1.204 -13.582) 13.635 25.807 ( -0.000 -26.495 5.890) 27.141 26.862 ( -0.000 6.154 9.459) 11.285 26.935 ( -0.000 -0.537 8.474) 8.491 28.639 ( -0.000 -0.613 2.354) 2.433 29.162 ( -0.000 -4.305 18.102) 18.607 29.639 ( -0.000 -5.071 4.448) 6.745 34.090 ( 0.000 39.304 -20.020) 44.109 ======================= Grid point 61 (34/125) ======================= q-point: (-0.17 -0.05 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 14.853 28.681 -26.613) 41.851 3.021 ( 32.729 17.496 -27.840) 46.394 4.427 ( 36.322 7.819 -44.900) 58.279 5.596 ( 20.956 9.734 -14.214) 27.129 5.823 ( -7.044 -5.986 -9.828) 13.492 6.117 ( 3.777 4.599 0.853) 6.012 6.187 ( 5.367 2.410 1.955) 6.199 7.793 ( -1.403 6.231 14.277) 15.641 8.064 ( 10.724 -4.375 13.751) 17.978 9.055 ( -1.155 -11.350 -0.837) 11.439 9.549 ( -1.058 0.872 -5.223) 5.400 9.942 ( 8.338 14.858 16.052) 23.409 10.200 ( 12.553 7.236 -0.749) 14.508 13.031 ( -13.479 -2.067 -3.569) 14.095 13.423 ( -12.351 -8.374 8.791) 17.319 13.710 ( 1.106 -5.084 3.273) 6.147 14.129 ( -13.808 -2.723 -8.140) 16.259 14.734 ( -6.089 -14.716 -4.802) 16.634 15.283 ( -8.915 5.695 2.875) 10.962 15.757 ( -3.066 -5.730 -0.084) 6.499 17.213 ( 9.366 3.078 -16.317) 19.064 17.671 ( 3.354 15.933 -8.427) 18.334 18.080 ( 20.646 5.292 0.880) 21.331 19.557 ( -12.908 -9.292 10.805) 19.228 20.238 ( -5.830 0.657 12.968) 14.233 20.504 ( 0.256 -0.735 19.900) 19.915 22.768 ( 0.352 0.862 -21.104) 21.125 24.462 ( -4.649 -17.704 -17.119) 25.062 25.554 ( -2.210 6.762 -10.457) 12.647 26.417 ( 6.569 2.921 24.576) 25.606 26.682 ( 9.139 1.778 22.793) 24.621 27.075 ( 3.673 8.298 5.820) 10.781 28.668 ( 1.082 1.465 3.155) 3.643 29.259 ( 1.461 1.576 12.513) 12.697 29.823 ( 5.549 7.207 2.288) 9.379 33.061 ( -30.911 -21.161 -39.526) 54.457 ======================= Grid point 62 (35/125) ======================= q-point: (-0.17 -0.05 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( 19.976 28.167 -15.818) 37.983 4.078 ( 20.791 31.935 -19.137) 42.642 5.281 ( 32.403 4.809 -18.904) 37.821 5.479 ( -9.204 -11.335 -8.161) 16.727 6.195 ( -5.005 1.184 -6.597) 8.365 6.294 ( 20.960 13.241 -6.490) 25.627 6.363 ( 6.957 4.950 0.655) 8.563 7.858 ( -2.251 0.513 10.155) 10.414 8.167 ( 8.985 -3.815 18.737) 21.127 8.776 ( -4.449 -8.955 6.546) 11.952 9.561 ( -1.523 3.298 -8.202) 8.970 10.096 ( 0.847 -2.641 -5.377) 6.050 10.801 ( 14.643 19.283 14.622) 28.285 12.862 ( -12.945 -6.423 5.588) 15.494 12.958 ( -2.878 -4.417 -1.313) 5.433 13.620 ( 0.503 -5.488 6.539) 8.551 13.857 ( -9.140 -1.300 -3.165) 9.760 14.261 ( -8.437 -16.376 -6.274) 19.460 15.206 ( -6.744 3.397 -9.463) 12.107 15.531 ( -6.922 -4.619 -12.921) 15.369 17.475 ( 7.374 7.260 -15.305) 18.475 18.102 ( 8.406 10.524 1.228) 13.525 18.694 ( 16.739 15.376 8.676) 24.329 19.142 ( -8.359 -6.342 2.224) 10.725 19.953 ( -10.072 -10.573 3.725) 15.070 20.416 ( -6.973 -2.751 21.155) 22.443 22.868 ( 5.097 3.605 -18.435) 19.463 23.979 ( -6.358 -18.082 -16.673) 25.404 25.599 ( -1.838 2.910 -2.582) 4.303 26.147 ( -9.036 -8.483 15.292) 19.684 27.173 ( 4.463 13.470 25.458) 29.145 27.444 ( 17.130 6.596 16.959) 24.992 28.748 ( 1.737 3.726 4.845) 6.354 29.239 ( -3.329 -1.622 6.033) 7.079 30.130 ( 1.345 15.653 -3.091) 16.012 32.146 ( -13.274 -25.338 -37.168) 46.900 ======================= Grid point 63 (36/125) ======================= q-point: (-0.17 -0.05 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.272 ( 19.728 19.937 -11.053) 30.147 4.951 ( -11.497 -8.248 -12.726) 19.031 5.072 ( 6.890 24.706 -3.582) 25.897 5.750 ( -0.283 -5.637 -0.609) 5.677 6.038 ( -4.882 5.973 -10.280) 12.853 6.460 ( 7.666 -6.545 -8.734) 13.337 7.023 ( 20.910 11.712 -1.405) 24.008 7.606 ( -6.329 -15.769 2.795) 17.220 8.318 ( 4.917 3.527 24.278) 25.021 8.562 ( -1.197 -6.861 17.380) 18.723 9.619 ( -5.097 8.150 -11.712) 15.151 10.001 ( 3.891 -8.759 -13.921) 16.901 11.500 ( 14.661 20.599 13.442) 28.634 12.226 ( -19.610 -15.053 11.307) 27.184 13.135 ( 9.738 5.119 -5.122) 12.136 13.467 ( -3.565 -8.602 2.645) 9.680 13.724 ( -3.467 0.613 0.784) 3.607 13.841 ( -3.633 -9.100 -4.520) 10.791 15.175 ( -5.071 5.308 -16.495) 18.055 15.341 ( -3.684 -2.592 -19.931) 20.434 17.814 ( 6.764 11.448 -7.197) 15.119 18.197 ( -5.227 -6.091 5.054) 9.485 18.997 ( 0.517 11.826 -4.968) 12.838 19.466 ( 15.043 6.244 9.863) 19.041 19.514 ( -5.048 -4.528 3.207) 7.501 20.080 ( -12.590 -10.961 18.145) 24.655 23.109 ( 8.383 6.221 -16.427) 19.464 23.518 ( -5.120 -15.200 -16.710) 23.162 25.649 ( 0.854 3.980 6.217) 7.432 25.839 ( -6.231 -5.974 11.556) 14.424 27.412 ( -5.830 12.164 19.784) 23.945 27.819 ( 14.846 -4.309 20.643) 25.790 28.877 ( 0.237 6.338 4.853) 7.986 29.096 ( -3.972 -3.659 3.876) 6.648 30.450 ( -11.686 23.786 -12.962) 29.502 31.539 ( 8.755 -27.997 -26.843) 39.762 ======================= Grid point 67 (37/125) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 0.000 -43.658) 43.658 0.896 ( 0.000 0.000 -43.658) 43.658 1.804 ( 0.000 0.000 -87.049) 87.049 4.679 ( 0.000 0.000 -11.903) 11.903 5.804 ( 0.000 0.000 -9.747) 9.747 5.989 ( -0.000 -0.000 0.121) 0.121 5.989 ( -0.000 -0.000 0.121) 0.121 8.083 ( -0.000 -0.000 19.536) 19.536 8.083 ( -0.000 -0.000 19.536) 19.536 9.016 ( 0.000 0.000 -12.532) 12.532 9.016 ( 0.000 0.000 -12.532) 12.532 9.456 ( 0.000 0.000 -3.498) 3.498 9.867 ( 0.000 0.000 -1.354) 1.354 13.679 ( 0.000 0.000 -0.113) 0.113 13.679 ( 0.000 0.000 -0.113) 0.113 13.973 ( -0.000 -0.000 4.775) 4.775 14.915 ( 0.000 0.000 -4.344) 4.344 14.915 ( 0.000 0.000 -4.344) 4.344 15.692 ( -0.000 -0.000 16.948) 16.948 15.873 ( -0.000 -0.000 14.765) 14.765 16.806 ( 0.000 0.000 -11.171) 11.171 17.229 ( 0.000 0.000 -8.446) 8.446 17.229 ( 0.000 0.000 -8.446) 8.446 20.508 ( -0.000 -0.000 16.293) 16.293 20.525 ( -0.000 -0.000 10.969) 10.969 20.525 ( -0.000 -0.000 10.969) 10.969 22.546 ( 0.000 0.000 -10.444) 10.444 24.436 ( 0.000 0.000 -16.647) 16.647 25.243 ( 0.000 0.000 -8.440) 8.440 25.243 ( 0.000 0.000 -8.440) 8.440 27.067 ( -0.000 -0.000 4.795) 4.795 27.067 ( -0.000 -0.000 4.795) 4.795 28.697 ( -0.000 -0.000 3.360) 3.360 29.435 ( -0.000 -0.000 11.525) 11.525 29.645 ( -0.000 -0.000 1.525) 1.525 34.535 ( 0.000 0.000 -1.363) 1.363 ======================= Grid point 68 (38/125) ======================= q-point: (-0.06 -0.06 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 25.545 25.545 -23.026) 42.841 1.828 ( 34.098 34.098 -21.243) 52.693 2.607 ( 31.925 31.925 -57.753) 73.306 4.971 ( 13.809 13.809 -10.199) 22.032 5.729 ( -3.733 -3.733 -8.764) 10.231 6.057 ( 2.929 2.929 0.025) 4.142 6.103 ( 5.110 5.110 0.647) 7.256 8.112 ( 1.209 1.209 18.422) 18.502 8.276 ( 3.119 3.119 16.011) 16.607 8.934 ( -3.673 -3.673 -12.898) 13.905 9.473 ( 0.525 0.525 -2.735) 2.834 9.911 ( 3.020 3.020 -1.204) 4.438 10.297 ( 27.561 27.561 50.106) 63.481 13.242 ( -16.892 -16.892 -10.839) 26.233 13.662 ( -1.575 -1.575 2.117) 3.073 13.853 ( -5.085 -5.085 4.475) 8.470 14.057 ( -9.642 -9.642 -25.708) 29.100 14.761 ( -7.379 -7.379 -4.221) 11.257 15.644 ( -9.797 -9.797 6.794) 15.432 15.702 ( -5.962 -5.962 -9.286) 12.543 16.802 ( 3.831 3.831 -8.875) 10.398 17.460 ( 9.979 9.979 -3.738) 14.599 17.704 ( 15.482 15.482 4.025) 22.261 20.066 ( -12.643 -12.643 10.878) 20.929 20.510 ( -4.860 -4.860 2.915) 7.466 20.817 ( 5.009 5.009 15.128) 16.705 22.385 ( -0.682 -0.682 -16.422) 16.450 24.245 ( -8.398 -8.398 -14.821) 18.992 25.337 ( 3.717 3.717 -8.603) 10.082 26.875 ( 7.460 7.460 32.878) 34.529 27.018 ( 24.541 24.541 54.479) 64.595 27.116 ( 2.514 2.514 3.941) 5.308 28.723 ( 1.404 1.404 3.938) 4.410 29.467 ( 0.364 0.364 8.643) 8.659 29.746 ( 4.744 4.744 0.911) 6.771 32.661 ( -42.641 -42.641 -83.091) 102.668 ======================= Grid point 69 (39/125) ======================= q-point: (-0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 27.255 27.255 -10.460) 39.938 3.239 ( 34.547 34.547 -11.611) 50.217 3.965 ( 33.321 33.321 -31.871) 56.889 5.500 ( -7.732 -7.732 -6.993) 12.980 5.694 ( 20.752 20.752 -6.422) 30.042 6.161 ( 1.247 1.247 -0.450) 1.820 6.328 ( 4.927 4.927 1.689) 7.170 8.126 ( -1.776 -1.776 14.813) 15.024 8.428 ( 4.812 4.812 16.754) 18.084 8.782 ( -2.602 -2.602 -10.926) 11.529 9.474 ( -0.597 -0.597 -2.011) 2.181 9.966 ( -1.055 -1.055 -6.193) 6.370 11.013 ( 12.556 12.556 31.401) 36.074 12.828 ( -3.847 -3.847 -7.819) 9.526 13.380 ( -11.976 -11.976 6.882) 18.282 13.758 ( 0.205 0.205 5.691) 5.698 13.860 ( -2.557 -2.557 -9.445) 10.114 14.353 ( -12.419 -12.419 -4.662) 18.171 15.204 ( -10.969 -10.969 -6.716) 16.904 15.377 ( -9.185 -9.185 -15.939) 20.562 17.071 ( 9.311 9.311 -6.865) 14.850 17.929 ( 12.583 12.583 1.502) 17.858 18.428 ( 20.091 20.091 5.500) 28.941 19.516 ( -14.491 -14.491 6.483) 21.494 20.175 ( -10.903 -10.903 -1.653) 15.507 20.888 ( -1.879 -1.879 14.874) 15.110 22.457 ( 3.675 3.675 -12.376) 13.423 23.842 ( -11.013 -11.013 -12.663) 20.073 25.490 ( 3.756 3.756 -5.545) 7.679 26.588 ( -9.122 -9.122 8.569) 15.487 27.283 ( 5.956 5.956 1.931) 8.641 27.978 ( 14.664 14.664 64.804) 68.041 28.823 ( 3.671 3.671 6.334) 8.190 29.417 ( -2.483 -2.483 3.946) 5.282 29.987 ( 6.673 6.673 -2.043) 9.656 31.499 ( -20.098 -20.098 -62.278) 68.457 ======================= Grid point 70 (40/125) ======================= q-point: (-0.06 -0.06 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.637 ( 22.987 22.987 -7.624) 33.391 4.504 ( 26.092 26.092 -8.881) 37.953 5.120 ( -9.761 -9.761 -4.044) 14.384 5.175 ( 25.950 25.950 -14.657) 39.518 6.059 ( -6.521 -6.521 -2.841) 9.650 6.393 ( -2.882 -2.882 -0.149) 4.078 6.558 ( 20.654 20.654 -1.781) 29.263 7.876 ( -10.638 -10.638 6.653) 16.450 8.655 ( 6.063 6.063 19.131) 20.964 8.801 ( 2.834 2.834 2.996) 5.004 9.434 ( -0.850 -0.850 -6.405) 6.516 9.793 ( -6.967 -6.967 -10.467) 14.375 11.529 ( 14.096 14.096 17.015) 26.209 12.808 ( -15.862 -15.862 8.627) 24.033 12.865 ( 5.157 5.157 -5.074) 8.884 13.705 ( -8.558 -8.558 6.487) 13.732 13.812 ( 0.056 0.056 2.277) 2.279 13.885 ( -5.006 -5.006 0.776) 7.122 14.844 ( -5.995 -5.995 -21.158) 22.793 15.015 ( -8.212 -8.212 -22.220) 25.072 17.536 ( 13.503 13.503 -1.339) 19.143 18.391 ( 7.274 7.274 9.761) 14.181 18.967 ( -9.662 -9.662 -3.987) 14.233 19.265 ( 20.520 20.520 7.356) 29.937 19.687 ( -12.594 -12.594 -2.658) 18.007 20.642 ( -10.417 -10.417 12.581) 19.374 22.665 ( 6.624 6.624 -10.890) 14.365 23.394 ( -10.923 -10.923 -11.279) 19.127 25.654 ( 4.724 4.724 0.314) 6.689 26.216 ( -9.004 -9.004 8.126) 15.106 27.595 ( 9.334 9.334 1.968) 13.345 28.241 ( -1.248 -1.248 35.451) 35.494 29.015 ( 5.604 5.604 11.783) 14.200 29.329 ( -1.610 -1.610 13.372) 13.565 30.245 ( 5.980 5.980 -10.228) 13.272 30.862 ( -12.269 -12.269 -44.512) 47.774 ======================= Grid point 71 (41/125) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -16.982 -16.982 -7.679) 25.214 4.446 ( 16.982 16.982 -7.679) 25.214 5.533 ( -17.070 -17.070 -1.012) 24.161 5.533 ( 17.070 17.070 -1.012) 24.161 6.042 ( -14.167 -14.167 -7.281) 21.317 6.042 ( 14.167 14.167 -7.281) 21.317 7.318 ( -16.716 -16.716 1.813) 23.710 7.318 ( 16.716 16.716 1.813) 23.710 8.847 ( -2.190 -2.190 19.008) 19.258 8.847 ( 2.190 2.190 19.008) 19.258 9.508 ( -5.191 -5.191 -14.839) 16.555 9.508 ( 5.191 5.191 -14.839) 16.555 12.149 ( -16.385 -16.385 11.178) 25.727 12.149 ( 16.385 16.385 11.178) 25.727 13.212 ( -11.646 -11.646 -3.625) 16.864 13.212 ( 11.646 11.646 -3.625) 16.864 13.840 ( -0.808 -0.808 11.009) 11.068 13.840 ( 0.808 0.808 11.009) 11.068 14.777 ( -2.717 -2.717 -27.562) 27.829 14.777 ( 2.717 2.717 -27.562) 27.829 18.116 ( -14.394 -14.394 6.337) 21.320 18.116 ( 14.394 14.394 6.337) 21.320 19.148 ( -12.187 -12.187 -4.533) 17.821 19.148 ( 12.187 12.187 -4.533) 17.821 20.069 ( -17.580 -17.580 9.421) 26.587 20.069 ( 17.580 17.580 9.421) 26.587 22.985 ( -9.195 -9.195 -10.635) 16.799 22.985 ( 9.195 9.195 -10.635) 16.799 25.889 ( -7.059 -7.059 5.445) 11.371 25.889 ( 7.059 7.059 5.445) 11.371 27.990 ( -9.062 -9.062 10.392) 16.500 27.990 ( 9.062 9.062 10.392) 16.500 29.227 ( -3.806 -3.806 18.864) 19.617 29.227 ( 3.806 3.806 18.864) 19.617 30.488 ( -5.117 -5.117 -26.439) 27.412 30.488 ( 5.117 5.117 -26.439) 27.412 ======================= Grid point 76 (42/125) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 29.820 -0.000) 29.820 0.932 ( 0.000 45.875 -0.000) 45.875 1.639 ( 0.000 79.987 -0.000) 79.987 4.716 ( 0.000 15.583 -0.000) 15.583 5.673 ( -0.000 -2.617 0.000) 2.617 6.023 ( 0.000 3.323 -0.000) 3.323 6.052 ( 0.000 5.839 -0.000) 5.839 8.387 ( 0.000 1.409 -0.000) 1.409 8.406 ( 0.000 3.428 -0.000) 3.428 8.803 ( 0.000 0.062 -0.000) 0.062 9.435 ( 0.000 1.313 -0.000) 1.313 9.888 ( 0.000 3.550 -0.000) 3.550 11.369 ( -0.000 -9.263 0.000) 9.263 12.737 ( -0.000 -1.357 0.000) 1.357 13.680 ( 0.000 0.316 -0.000) 0.316 13.686 ( 0.000 0.552 -0.000) 0.552 13.957 ( -0.000 -6.212 0.000) 6.212 14.851 ( -0.000 -1.777 0.000) 1.777 15.415 ( -0.000 -19.691 0.000) 19.691 16.062 ( -0.000 -6.029 0.000) 6.029 16.752 ( 0.000 12.732 -0.000) 12.732 17.135 ( -0.000 -0.762 0.000) 0.762 17.674 ( 0.000 18.233 -0.000) 18.233 20.304 ( -0.000 -20.892 0.000) 20.892 20.633 ( -0.000 -0.573 0.000) 0.573 20.881 ( 0.000 6.580 -0.000) 6.580 22.181 ( 0.000 2.075 -0.000) 2.075 24.243 ( -0.000 -0.847 0.000) 0.847 25.143 ( -0.000 -1.074 0.000) 1.074 27.064 ( -0.000 -4.972 0.000) 4.972 27.120 ( 0.000 0.386 -0.000) 0.386 28.733 ( 0.000 0.198 -0.000) 0.198 28.823 ( 0.000 11.155 -0.000) 11.155 29.470 ( -0.000 -9.928 0.000) 9.928 29.634 ( -0.000 -0.529 0.000) 0.529 30.982 ( 0.000 2.254 -0.000) 2.254 ======================= Grid point 77 (43/125) ======================= q-point: ( 0.06 -0.06 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 61.072 16.897 0.000) 63.366 2.034 ( 18.777 38.187 -0.000) 42.554 3.252 ( 7.287 70.307 -0.000) 70.684 5.282 ( 12.076 26.116 -0.000) 28.773 5.546 ( -4.725 -5.332 0.000) 7.124 6.128 ( 1.361 3.799 -0.000) 4.035 6.235 ( 4.825 5.943 -0.000) 7.656 8.459 ( 3.143 2.836 0.000) 4.234 8.533 ( 2.180 7.081 -0.000) 7.409 8.638 ( -13.149 -0.951 -0.000) 13.184 9.463 ( -0.041 0.770 -0.000) 0.771 9.944 ( -3.152 3.602 -0.000) 4.786 11.292 ( 12.192 -11.096 0.000) 16.485 12.703 ( -0.597 -0.551 -0.000) 0.812 13.618 ( -4.808 -9.166 0.000) 10.350 13.708 ( 0.766 1.705 -0.000) 1.869 13.802 ( -0.127 -1.504 0.000) 1.509 14.572 ( -14.111 -7.935 -0.000) 16.189 15.159 ( 6.079 -19.547 0.000) 20.470 15.555 ( -19.589 -11.921 -0.000) 22.931 16.895 ( -1.255 10.721 -0.000) 10.795 17.598 ( 22.309 9.309 0.000) 24.173 18.199 ( 8.376 24.653 -0.000) 26.037 19.787 ( -5.056 -24.141 0.000) 24.665 20.420 ( -14.671 -3.070 -0.000) 14.989 21.017 ( 4.915 -2.069 0.000) 5.333 22.265 ( 1.997 4.432 -0.000) 4.861 23.977 ( -16.449 -3.610 -0.000) 16.840 25.275 ( 10.299 -0.142 0.000) 10.300 26.841 ( -7.340 -8.071 0.000) 10.910 27.197 ( 4.830 2.089 0.000) 5.262 28.785 ( 5.240 -0.001 0.000) 5.240 29.185 ( 4.259 18.873 -0.000) 19.348 29.218 ( 0.580 -16.719 0.000) 16.729 29.743 ( 10.890 -3.152 0.000) 11.337 30.836 ( -17.301 4.082 -0.000) 17.776 ======================= Grid point 78 (44/125) ======================= q-point: ( 0.06 -0.06 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 19.770 30.374 -0.000) 36.242 3.492 ( 57.626 12.566 0.000) 58.980 4.673 ( 8.208 53.029 -0.000) 53.661 5.270 ( -9.311 -7.043 -0.000) 11.675 6.078 ( 4.396 7.240 -0.000) 8.470 6.190 ( 9.806 15.246 -0.000) 18.127 6.403 ( 2.868 1.051 0.000) 3.054 8.271 ( -17.725 -4.635 -0.000) 18.321 8.647 ( 6.913 6.449 0.000) 9.454 8.770 ( 3.810 10.048 -0.000) 10.746 9.436 ( -2.351 -1.591 -0.000) 2.839 9.832 ( -8.049 -4.401 -0.000) 9.173 11.460 ( 16.844 -0.419 0.000) 16.849 12.738 ( 1.409 4.411 -0.000) 4.631 13.164 ( -10.674 -17.173 0.000) 20.220 13.791 ( 2.354 3.933 -0.000) 4.584 13.893 ( 4.443 4.038 0.000) 6.004 14.049 ( -16.428 -12.470 -0.000) 20.624 14.790 ( -8.279 -14.692 0.000) 16.864 14.956 ( -12.836 -13.469 0.000) 18.606 17.230 ( 13.230 10.074 0.000) 16.629 18.232 ( 15.586 15.480 0.000) 21.967 18.955 ( 16.271 24.579 -0.000) 29.477 19.155 ( -7.695 -25.588 0.000) 26.720 19.980 ( -18.719 -6.439 -0.000) 19.795 20.923 ( -3.100 -9.889 0.000) 10.364 22.443 ( 4.088 7.230 -0.000) 8.306 23.539 ( -16.146 -6.414 -0.000) 17.373 25.498 ( 9.685 2.375 0.000) 9.972 26.487 ( -9.329 -9.678 0.000) 13.443 27.411 ( 9.474 5.239 0.000) 10.826 28.813 ( -4.257 -19.402 0.000) 19.864 28.959 ( 10.957 1.335 0.000) 11.038 29.675 ( 3.219 20.577 -0.000) 20.827 29.838 ( 11.876 -12.945 0.000) 17.567 30.544 ( -23.100 9.443 -0.000) 24.955 ======================= Grid point 79 (45/125) ======================= q-point: ( 0.06 -0.06 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 16.613 22.488 -0.000) 27.959 4.577 ( 9.372 -3.090 0.000) 9.869 4.961 ( 20.935 -0.383 0.000) 20.939 5.720 ( -5.586 -26.161 0.000) 26.751 5.749 ( 5.774 34.166 -0.000) 34.651 6.303 ( -12.052 -3.166 -0.000) 12.461 7.020 ( 14.060 25.913 -0.000) 29.482 7.736 ( -21.640 -9.413 -0.000) 23.599 8.991 ( 9.875 9.322 0.000) 13.580 9.072 ( 4.832 11.570 -0.000) 12.539 9.291 ( -5.925 -4.721 -0.000) 7.576 9.474 ( -12.117 -9.268 -0.000) 15.255 11.926 ( 19.749 8.745 0.000) 21.598 12.545 ( -11.598 -20.041 0.000) 23.155 12.985 ( 6.024 12.034 -0.000) 13.458 13.461 ( -16.544 -11.495 -0.000) 20.145 13.981 ( 5.553 7.478 -0.000) 9.314 14.130 ( 8.682 6.409 0.000) 10.792 14.324 ( -11.505 -9.533 -0.000) 14.941 14.492 ( -8.081 -12.551 0.000) 14.927 17.794 ( 21.451 10.286 0.000) 23.789 18.468 ( -9.508 -25.050 0.000) 26.794 18.845 ( 11.488 18.527 -0.000) 21.799 19.436 ( -19.620 -8.955 -0.000) 21.567 19.781 ( 19.038 20.736 -0.000) 28.150 20.491 ( -13.086 -16.394 0.000) 20.977 22.722 ( 6.024 10.455 -0.000) 12.066 23.099 ( -13.662 -7.053 -0.000) 15.375 25.769 ( 9.750 5.349 0.000) 11.121 26.106 ( -8.189 -10.095 0.000) 12.999 27.792 ( 15.075 7.800 0.000) 16.974 28.299 ( -7.602 -18.928 0.000) 20.397 29.272 ( 16.316 1.872 0.000) 16.423 29.643 ( 2.874 -19.616 0.000) 19.826 30.086 ( -2.710 19.060 -0.000) 19.252 30.331 ( -19.609 10.455 -0.000) 22.222 ======================= Grid point 84 (46/125) ======================= q-point: ( 0.18 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -0.000 21.559 24.876) 32.918 2.204 ( -0.000 36.805 30.169) 47.590 3.510 ( -0.000 63.133 31.697) 70.644 5.248 ( 0.000 26.275 8.698) 27.678 5.686 ( -0.000 -5.224 8.185) 9.710 6.104 ( 0.000 4.923 -1.012) 5.026 6.179 ( 0.000 5.420 -0.394) 5.434 8.139 ( 0.000 3.112 -23.328) 23.534 8.348 ( 0.000 4.874 -8.352) 9.670 9.079 ( -0.000 3.559 13.726) 14.180 9.485 ( -0.000 0.785 1.976) 2.127 10.036 ( -0.000 8.360 3.926) 9.236 10.364 ( 0.000 9.588 -46.432) 47.412 12.958 ( -0.000 -16.516 9.347) 18.977 13.632 ( -0.000 -9.286 -3.396) 9.888 13.791 ( 0.000 -2.021 -1.385) 2.450 13.913 ( -0.000 -7.802 15.425) 17.286 14.843 ( -0.000 -3.709 4.425) 5.774 15.115 ( -0.000 -18.867 6.975) 20.115 15.853 ( -0.000 -15.058 4.283) 15.655 17.094 ( 0.000 21.285 -1.320) 21.326 17.206 ( -0.000 -0.984 8.946) 9.000 18.076 ( 0.000 25.080 -3.504) 25.324 19.815 ( -0.000 -23.498 -3.259) 23.723 20.504 ( 0.000 -1.010 -10.831) 10.878 20.805 ( 0.000 -2.552 -10.775) 11.073 22.392 ( -0.000 2.348 13.799) 13.998 24.383 ( -0.000 -1.877 14.687) 14.806 25.199 ( -0.000 -2.026 8.299) 8.542 26.846 ( 0.000 -8.223 -9.754) 12.758 27.087 ( 0.000 1.157 -4.642) 4.784 27.474 ( 0.000 33.911 -71.761) 79.370 28.738 ( 0.000 1.903 -4.635) 5.011 29.458 ( 0.000 -1.535 -6.729) 6.901 29.741 ( -0.000 0.996 3.566) 3.702 32.195 ( -0.000 -31.689 71.127) 77.867 ======================= Grid point 85 (47/125) ======================= q-point: ( 0.18 -0.07 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 41.985 18.839 9.654) 47.020 3.082 ( 15.711 31.495 23.888) 42.537 4.756 ( 3.242 54.158 18.478) 57.315 5.501 ( -6.237 -7.032 6.895) 11.657 5.940 ( 8.115 31.394 5.258) 32.849 6.160 ( -1.234 -2.957 -0.277) 3.216 6.294 ( 5.352 2.381 -1.676) 6.093 8.208 ( -2.257 4.034 -22.558) 23.027 8.485 ( 2.336 7.285 -8.103) 11.144 8.982 ( -14.232 4.426 9.559) 17.706 9.477 ( -1.112 -0.651 0.635) 1.437 10.060 ( -6.797 1.521 4.113) 8.089 10.745 ( 24.440 1.153 -22.875) 33.495 12.793 ( 0.240 -0.136 4.474) 4.482 13.267 ( -6.284 -18.282 -5.800) 20.183 13.790 ( -1.180 -0.582 0.259) 1.341 13.806 ( 0.375 -1.256 0.616) 1.448 14.461 ( -16.170 -9.231 6.836) 19.835 14.939 ( 5.545 -13.148 9.060) 16.903 15.386 ( -10.070 -15.466 12.027) 22.028 17.143 ( 1.008 5.980 7.903) 9.962 17.825 ( 19.606 15.982 -3.086) 25.482 18.645 ( 6.086 23.828 -6.924) 25.549 19.274 ( -3.556 -23.783 0.996) 24.068 20.293 ( -13.966 -5.052 -5.725) 15.917 20.760 ( 4.243 -8.304 -12.974) 15.978 22.500 ( 1.901 6.519 11.292) 13.177 24.061 ( -20.292 -3.516 13.583) 24.670 25.331 ( 12.187 -1.840 6.674) 14.016 26.567 ( -7.145 -10.452 -9.347) 15.737 27.201 ( 7.294 2.150 -4.470) 8.821 28.036 ( 7.784 11.152 -49.457) 51.293 28.813 ( 3.831 1.326 -6.241) 7.442 29.393 ( -0.792 -2.792 -6.807) 7.400 29.827 ( 6.893 -0.102 3.979) 7.960 31.659 ( -15.870 -5.260 50.633) 53.321 ======================= Grid point 86 (48/125) ======================= q-point: ( 0.18 -0.07 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 35.250 19.160 1.155) 40.137 4.038 ( 29.643 18.145 19.383) 39.795 5.131 ( -12.183 -9.439 6.654) 16.786 5.745 ( 1.953 35.335 7.029) 36.080 5.832 ( -3.099 -23.977 2.417) 24.297 6.416 ( 1.335 2.355 0.423) 2.740 6.789 ( 9.360 31.229 1.147) 32.621 8.075 ( -17.411 -0.139 -10.874) 20.528 8.730 ( 2.964 10.079 -14.525) 17.926 8.857 ( -3.323 3.559 -5.912) 7.659 9.413 ( -1.929 -2.654 2.211) 3.957 9.886 ( -8.453 -1.820 13.254) 15.825 11.326 ( 24.747 6.887 -12.549) 28.589 12.668 ( -9.327 -21.267 -6.942) 24.238 12.958 ( 2.156 9.750 3.854) 10.703 13.697 ( -4.896 -5.024 -5.395) 8.849 13.837 ( 0.269 1.589 -9.246) 9.385 13.979 ( -12.991 -4.685 5.614) 14.907 14.755 ( 0.052 -8.809 16.396) 18.613 14.944 ( -5.634 -11.431 21.978) 25.406 17.427 ( 14.593 5.649 4.295) 16.227 18.441 ( 3.957 4.439 -9.586) 11.281 18.677 ( 7.218 -12.207 3.824) 14.688 19.391 ( 11.789 21.624 -5.503) 25.236 19.828 ( -17.757 -7.812 -1.881) 19.490 20.553 ( -4.645 -12.681 -11.586) 17.793 22.729 ( 3.869 10.426 10.076) 15.007 23.564 ( -19.718 -4.505 12.537) 23.797 25.552 ( 11.093 0.886 1.073) 11.180 26.190 ( -7.838 -11.149 -8.213) 15.912 27.441 ( 11.980 1.431 -7.075) 13.987 28.200 ( 2.662 -4.451 -16.894) 17.672 28.911 ( 7.881 -3.113 -5.366) 10.030 29.359 ( 0.807 -1.579 -17.022) 17.114 29.964 ( 5.161 0.843 -0.147) 5.232 31.345 ( -20.276 10.135 38.688) 44.839 ======================= Grid point 87 (49/125) ======================= q-point: ( 0.18 -0.07 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.464 ( 2.040 -2.040 5.968) 6.628 4.506 ( -3.082 3.082 5.849) 7.294 5.085 ( 19.655 -19.655 9.174) 29.272 5.105 ( 10.225 -10.225 4.258) 15.074 6.202 ( -7.474 7.474 -3.007) 10.989 6.396 ( -7.065 7.065 8.955) 13.417 7.498 ( -9.649 9.649 -5.483) 14.706 7.588 ( -11.644 11.644 -0.083) 16.467 8.850 ( -1.287 1.287 -23.623) 23.693 8.950 ( -3.715 3.715 -13.917) 14.876 9.335 ( 2.478 -2.478 7.013) 7.840 9.754 ( -5.945 5.945 20.126) 21.811 11.953 ( 8.313 -8.313 -11.631) 16.538 12.041 ( 5.629 -5.629 -6.194) 10.087 13.292 ( -3.846 3.846 0.901) 5.513 13.338 ( -5.468 5.468 5.663) 9.585 13.858 ( -0.585 0.585 -13.003) 13.029 13.859 ( -1.140 1.140 -9.081) 9.223 14.665 ( 4.044 -4.044 22.167) 22.893 14.752 ( 2.130 -2.130 28.326) 28.486 17.819 ( 8.381 -8.381 -3.511) 12.361 18.079 ( 7.184 -7.184 3.793) 10.845 19.048 ( -1.654 1.654 -7.942) 8.279 19.392 ( -3.241 3.241 4.399) 6.353 20.009 ( -0.140 0.140 -10.866) 10.868 20.117 ( -0.815 0.815 -6.862) 6.958 23.008 ( -3.186 3.186 7.234) 8.523 23.182 ( -7.358 7.358 14.645) 17.966 25.810 ( 3.922 -3.922 -6.128) 8.265 25.854 ( 2.163 -2.163 -3.135) 4.380 27.628 ( 8.134 -8.134 -15.462) 19.272 28.117 ( 2.744 -2.744 5.941) 7.096 28.983 ( 6.534 -6.534 -12.920) 15.884 29.336 ( 3.832 -3.832 -12.505) 13.628 30.033 ( -0.335 0.335 -5.493) 5.513 31.245 ( -18.232 18.232 34.685) 43.219 ======================= Grid point 93 (50/125) ======================= q-point: ( 0.30 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -0.000 14.989 25.442) 29.529 3.493 ( -0.000 29.978 29.670) 42.178 5.218 ( -0.000 41.889 26.685) 49.667 5.763 ( -0.000 -5.445 11.661) 12.869 5.997 ( 0.000 24.215 5.610) 24.856 6.154 ( 0.000 8.059 -1.100) 8.134 6.193 ( -0.000 -4.378 0.240) 4.385 7.740 ( 0.000 1.965 -19.693) 19.791 8.316 ( 0.000 9.392 -8.667) 12.780 9.353 ( 0.000 6.269 2.615) 6.793 9.506 ( -0.000 -2.212 1.338) 2.585 9.731 ( 0.000 -2.798 -25.758) 25.909 10.410 ( -0.000 14.025 10.105) 17.287 12.862 ( -0.000 -1.915 3.324) 3.836 13.183 ( 0.000 -18.942 -9.137) 21.031 13.828 ( 0.000 2.746 1.156) 2.980 13.867 ( -0.000 -12.306 3.103) 12.691 14.871 ( -0.000 -5.209 7.130) 8.830 14.913 ( -0.000 -12.267 3.252) 12.691 15.652 ( -0.000 -12.560 2.961) 12.904 17.455 ( -0.000 -0.410 16.733) 16.738 17.539 ( 0.000 19.201 3.845) 19.582 18.446 ( 0.000 19.428 -6.605) 20.520 19.322 ( -0.000 -18.052 -0.853) 18.072 20.177 ( 0.000 -1.160 -18.614) 18.650 20.415 ( 0.000 -9.291 -14.135) 16.915 22.797 ( -0.000 4.383 19.019) 19.518 24.651 ( -0.000 -4.005 14.924) 15.452 25.377 ( -0.000 -2.714 13.357) 13.630 26.378 ( 0.000 -9.598 -14.826) 17.662 26.988 ( 0.000 2.309 -8.276) 8.592 27.040 ( 0.000 23.521 -35.622) 42.687 28.662 ( 0.000 0.019 -4.296) 4.296 29.250 ( 0.000 -1.416 -9.167) 9.276 29.786 ( -0.000 -0.871 0.204) 0.894 32.765 ( -0.000 -16.823 38.199) 41.740 ======================= Grid point 94 (51/125) ======================= q-point: ( 0.30 -0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 32.656 13.366 16.104) 38.786 4.147 ( 8.389 24.826 23.456) 35.169 5.489 ( -7.925 -8.677 6.199) 13.286 5.929 ( -3.686 -11.016 1.260) 11.684 5.955 ( -1.673 15.604 11.186) 19.272 6.313 ( 9.456 8.479 2.592) 12.963 6.704 ( 4.172 30.824 4.061) 31.369 7.837 ( 2.401 3.825 -20.792) 21.277 8.482 ( -3.475 10.920 -11.016) 15.896 9.020 ( -22.959 -1.689 -8.443) 24.521 9.461 ( 0.485 -3.287 1.301) 3.569 10.016 ( 15.464 -0.080 -5.623) 16.455 10.766 ( 8.943 13.706 4.698) 17.027 12.682 ( -7.255 -20.758 -7.980) 23.392 12.989 ( 3.308 8.271 3.937) 9.739 13.679 ( 0.782 -6.780 -0.236) 6.829 13.794 ( -7.209 1.651 -1.771) 7.604 14.434 ( -15.410 -8.427 6.684) 18.792 14.913 ( 8.102 -8.634 8.773) 14.736 15.381 ( 0.172 -12.111 13.092) 17.835 17.470 ( 3.300 2.242 16.352) 16.831 18.078 ( 11.974 14.312 -4.888) 19.289 18.638 ( 1.722 -9.704 -0.833) 9.890 19.152 ( 2.204 9.731 -3.326) 10.517 19.992 ( -9.992 -7.854 -10.320) 16.372 20.253 ( 2.044 -8.930 -18.245) 20.416 22.955 ( 1.784 9.438 17.169) 19.673 24.310 ( -20.248 -3.706 16.677) 26.492 25.430 ( 7.638 -3.069 7.093) 10.866 26.096 ( -5.178 -10.727 -12.461) 17.238 27.070 ( 3.313 2.827 -13.027) 13.736 27.594 ( 11.347 14.934 -25.521) 31.672 28.674 ( 3.386 -2.447 -5.772) 7.126 29.171 ( -0.614 -5.658 -4.046) 6.983 29.816 ( 6.854 -3.403 -1.831) 7.868 32.458 ( -14.032 1.303 33.557) 36.396 ======================= Grid point 95 (52/125) ======================= q-point: ( 0.30 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.027 ( 39.131 11.226 8.388) 41.565 4.744 ( 7.901 8.581 13.589) 17.909 5.010 ( -6.801 -15.755 8.495) 19.148 5.396 ( -6.527 -22.216 8.763) 24.757 6.187 ( -1.502 6.963 -6.560) 9.684 6.651 ( 3.282 6.949 12.021) 14.267 7.365 ( 2.088 24.967 -4.934) 25.535 7.895 ( -9.667 6.105 -9.517) 14.876 8.460 ( -13.322 1.949 -20.944) 24.899 8.741 ( -4.719 6.358 -12.820) 15.068 9.389 ( 2.309 -5.696 2.982) 6.831 10.189 ( -0.109 3.297 10.187) 10.707 11.305 ( 19.853 8.012 -8.186) 22.921 12.079 ( -10.175 -18.898 -4.423) 21.914 13.282 ( 2.458 11.084 1.672) 11.476 13.621 ( -2.761 3.198 4.364) 6.074 13.679 ( -3.657 -0.032 -7.098) 7.984 13.977 ( -13.555 -5.739 5.763) 15.808 14.900 ( 7.336 -7.788 12.107) 16.157 15.216 ( 3.328 -7.482 20.262) 21.854 17.672 ( 10.694 2.429 12.818) 16.869 18.118 ( -2.902 -13.779 -0.370) 14.086 18.786 ( 14.123 7.109 -0.075) 15.811 19.438 ( 0.669 -3.921 -8.883) 9.733 19.696 ( -2.534 7.374 -9.120) 11.999 20.038 ( -6.712 -8.020 -17.209) 20.138 23.224 ( 2.038 11.396 15.264) 19.157 23.844 ( -19.635 0.713 19.002) 27.334 25.527 ( 6.779 -1.955 -4.395) 8.312 25.814 ( -3.741 -6.653 -6.379) 9.947 27.177 ( 4.081 -0.753 -15.653) 16.194 28.000 ( 8.562 3.588 -10.964) 14.366 28.670 ( 6.240 -7.807 -5.444) 11.381 29.058 ( 0.374 -3.677 -5.269) 6.436 29.882 ( 7.551 -5.458 -3.671) 10.015 32.280 ( -18.928 14.331 29.120) 37.571 ======================= Grid point 101 (53/125) ======================= q-point: ( 0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -0.000 8.857 18.316) 20.345 4.542 ( -0.000 20.641 20.900) 29.374 5.662 ( -0.000 -4.931 3.238) 5.899 5.952 ( 0.000 0.027 -11.279) 11.279 5.983 ( -0.000 -14.496 0.452) 14.503 6.469 ( -0.000 18.094 19.735) 26.775 6.769 ( 0.000 23.832 5.379) 24.432 7.443 ( 0.000 1.331 -12.829) 12.898 8.338 ( 0.000 7.950 -7.485) 10.919 9.218 ( 0.000 -5.591 -14.833) 15.851 9.338 ( 0.000 -1.545 -6.762) 6.937 9.571 ( -0.000 4.616 2.047) 5.049 10.915 ( -0.000 12.114 9.457) 15.368 12.609 ( -0.000 -17.507 -7.075) 18.883 13.015 ( -0.000 6.875 3.148) 7.561 13.686 ( -0.000 -6.411 1.591) 6.605 13.898 ( -0.000 1.167 0.916) 1.484 14.739 ( -0.000 -9.638 1.675) 9.783 14.929 ( -0.000 -3.882 7.906) 8.807 15.478 ( -0.000 -7.396 0.405) 7.407 17.842 ( -0.000 0.090 20.749) 20.749 17.907 ( 0.000 8.286 1.326) 8.392 18.561 ( 0.000 6.947 -4.364) 8.203 19.167 ( -0.000 -3.275 5.722) 6.593 19.738 ( 0.000 -0.998 -21.661) 21.684 19.916 ( 0.000 -11.929 -13.055) 17.684 23.309 ( -0.000 7.852 18.053) 19.687 24.754 ( -0.000 -4.653 3.970) 6.117 25.607 ( -0.000 -2.663 14.218) 14.465 25.985 ( -0.000 -9.941 -2.755) 10.316 26.831 ( 0.000 18.149 -27.788) 33.190 26.852 ( 0.000 2.984 -10.265) 10.690 28.576 ( -0.000 -3.450 -0.728) 3.526 29.086 ( 0.000 0.670 -5.572) 5.613 29.702 ( -0.000 -6.631 -0.803) 6.680 33.161 ( -0.000 -1.878 20.617) 20.703 ======================= Grid point 102 (54/125) ======================= q-point: ( 0.42 -0.08 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.529 ( 28.442 7.283 12.023) 31.726 4.881 ( 0.592 6.179 6.649) 9.096 5.333 ( -6.179 -18.580 9.046) 21.569 5.656 ( -2.530 -9.814 7.591) 12.663 5.980 ( 3.031 0.630 -11.020) 11.446 6.805 ( 4.335 6.876 10.699) 13.437 7.207 ( 1.757 13.783 -9.105) 16.612 7.608 ( 3.294 13.832 -11.761) 18.453 8.455 ( -8.602 9.793 -13.295) 18.619 8.757 ( -20.217 -1.949 -8.706) 22.098 9.358 ( 4.486 -6.998 -0.343) 8.319 9.980 ( 18.457 6.123 -5.086) 20.100 11.057 ( 1.535 -0.494 -0.014) 1.613 12.251 ( -7.023 -8.261 3.985) 11.552 13.201 ( 4.523 5.942 -2.112) 7.761 13.675 ( -2.412 2.297 2.761) 4.326 13.802 ( -6.305 3.061 1.823) 7.242 14.390 ( -12.203 -7.386 5.707) 15.364 14.947 ( 6.625 -5.445 8.910) 12.366 15.395 ( 6.794 -7.982 8.291) 13.365 17.859 ( 2.699 0.478 15.323) 15.566 18.077 ( 5.385 -2.427 -0.308) 5.914 18.667 ( 6.793 0.733 9.080) 11.363 19.205 ( 0.952 3.941 -5.924) 7.178 19.609 ( -4.404 -8.176 -10.188) 13.786 19.709 ( -1.600 -4.194 -21.358) 21.824 23.520 ( 0.832 11.270 15.191) 18.934 24.552 ( -13.569 0.450 11.103) 17.538 25.480 ( -5.288 -3.196 5.280) 8.128 25.783 ( -2.853 -4.185 -2.109) 5.487 26.823 ( -2.706 3.756 -17.716) 18.311 27.403 ( 17.612 7.914 -18.203) 26.535 28.508 ( 4.141 -7.685 0.112) 8.730 29.067 ( -0.149 -2.462 1.840) 3.078 29.617 ( 7.151 -8.886 -5.042) 12.471 33.114 ( -12.676 10.415 20.191) 26.016 ======================= Grid point 103 (55/125) ======================= q-point: (-0.58 -0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( 16.671 -16.671 6.066) 24.344 4.413 ( 15.984 -15.984 5.641) 23.298 5.223 ( -7.844 7.844 -3.636) 11.673 5.506 ( 0.625 -0.625 22.683) 22.700 6.035 ( 1.219 -1.219 -10.977) 11.111 6.907 ( 3.616 -3.616 8.628) 10.029 7.347 ( -0.389 0.389 -17.325) 17.333 8.055 ( -10.085 10.085 -21.534) 25.829 8.131 ( -12.481 12.481 0.549) 17.659 8.641 ( -9.503 9.503 -13.043) 18.728 9.320 ( 6.821 -6.821 3.384) 10.223 10.287 ( 3.842 -3.842 -2.096) 5.824 11.018 ( 9.764 -9.764 -13.023) 18.981 12.088 ( -5.898 5.898 13.986) 16.284 13.389 ( -2.789 2.789 -1.902) 4.379 13.515 ( -0.245 0.245 -6.705) 6.714 14.006 ( -9.084 9.084 8.850) 15.601 14.026 ( -1.597 1.597 7.634) 7.961 14.954 ( 6.182 -6.182 9.003) 12.550 15.392 ( 8.074 -8.074 12.086) 16.627 17.933 ( 3.553 -3.553 -0.175) 5.028 18.040 ( 3.769 -3.769 21.146) 21.808 18.840 ( 7.880 -7.880 5.403) 12.384 19.181 ( 2.716 -2.716 -5.291) 6.538 19.562 ( -2.950 2.950 -15.924) 16.461 19.573 ( -1.527 1.527 -19.723) 19.841 23.686 ( -4.302 4.302 11.977) 13.433 24.370 ( -12.622 12.622 18.099) 25.420 25.379 ( -0.275 0.275 -2.049) 2.086 25.715 ( -0.959 0.959 -0.765) 1.557 26.839 ( -0.919 0.919 -17.946) 17.993 27.697 ( 5.082 -5.082 -17.199) 18.641 28.456 ( 9.727 -9.727 2.806) 14.039 29.028 ( 1.539 -1.539 5.376) 5.800 29.607 ( 8.780 -8.780 -8.115) 14.833 33.089 ( -16.335 16.335 19.697) 30.358 ======================= Grid point 107 (56/125) ======================= q-point: ( 0.42 -0.08 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( -17.933 17.933 26.354) 36.574 3.945 ( -26.294 26.294 19.321) 41.906 5.249 ( -6.958 6.958 13.318) 16.558 5.800 ( 9.178 -9.178 3.594) 13.468 6.169 ( -14.644 14.644 17.945) 27.403 6.186 ( -5.254 5.254 -4.373) 8.621 6.382 ( -7.236 7.236 15.442) 18.525 7.646 ( -0.697 0.697 -12.681) 12.720 7.886 ( -0.727 0.727 3.810) 3.946 8.744 ( 10.297 -10.297 -10.495) 17.951 9.761 ( -2.612 2.612 10.876) 11.486 9.912 ( -10.826 10.826 -13.639) 20.504 10.421 ( -9.133 9.133 5.564) 14.064 12.975 ( 13.427 -13.427 -12.180) 22.559 13.090 ( 2.704 -2.704 6.763) 7.769 13.508 ( 2.685 -2.685 -5.467) 6.656 14.141 ( 8.723 -8.723 3.987) 12.965 14.509 ( 9.908 -9.908 -1.355) 14.078 15.290 ( -3.704 3.704 -3.255) 6.167 15.710 ( 0.520 -0.520 -0.673) 0.997 17.716 ( -9.024 9.024 17.893) 21.978 18.104 ( -5.545 5.545 12.841) 15.046 18.259 ( -10.494 10.494 2.153) 14.996 19.177 ( 6.311 -6.311 -8.288) 12.180 19.949 ( 3.497 -3.497 -14.186) 15.023 20.012 ( 1.097 -1.097 -24.436) 24.485 23.228 ( -0.947 0.947 21.301) 21.343 24.481 ( 12.309 -12.309 14.175) 22.449 25.712 ( 3.401 -3.401 2.378) 5.365 25.985 ( 9.212 -9.212 -15.275) 20.076 26.412 ( -11.870 11.870 -15.714) 22.994 27.152 ( -6.228 6.228 -2.665) 9.202 28.715 ( -2.213 2.213 4.678) 5.628 29.057 ( -3.494 3.494 -11.892) 12.878 29.934 ( -12.087 12.087 -6.173) 18.174 33.169 ( 24.300 -24.300 20.194) 39.860 ======================= Grid point 109 (57/125) ======================= q-point: (-0.47 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.390 ( -0.000 2.311 1.796) 2.927 4.875 ( 0.000 -9.981 -8.554) 13.145 5.588 ( -0.000 -11.272 6.950) 13.242 5.742 ( 0.000 -1.735 -5.092) 5.379 5.834 ( -0.000 0.211 8.648) 8.651 6.869 ( 0.000 1.662 -1.313) 2.118 6.912 ( 0.000 -2.703 -14.917) 15.160 7.454 ( 0.000 16.460 -3.776) 16.888 8.292 ( 0.000 3.231 -9.566) 10.097 8.977 ( -0.000 -1.483 -0.581) 1.593 9.165 ( 0.000 -4.164 -2.375) 4.794 9.695 ( 0.000 7.103 -2.023) 7.385 10.992 ( 0.000 -10.830 -6.262) 12.509 12.483 ( -0.000 4.789 10.662) 11.689 13.090 ( 0.000 1.761 -3.117) 3.580 13.803 ( -0.000 9.418 5.110) 10.715 13.891 ( -0.000 -2.312 -0.408) 2.348 14.634 ( -0.000 -7.215 5.890) 9.314 15.033 ( -0.000 -0.094 5.750) 5.751 15.400 ( -0.000 -3.646 3.063) 4.762 17.900 ( 0.000 -4.760 -2.697) 5.471 18.222 ( -0.000 -0.179 13.343) 13.344 18.624 ( 0.000 8.104 -8.039) 11.415 19.323 ( -0.000 -6.041 16.031) 17.132 19.336 ( 0.000 -0.315 -13.134) 13.137 19.458 ( 0.000 -8.181 -8.207) 11.588 23.710 ( 0.000 6.572 2.046) 6.883 24.771 ( -0.000 4.807 3.191) 5.770 25.820 ( -0.000 -1.309 9.859) 9.945 25.869 ( -0.000 -7.017 6.969) 9.889 26.626 ( 0.000 11.316 -21.459) 24.260 26.706 ( 0.000 2.139 -8.610) 8.871 28.512 ( -0.000 -6.249 4.883) 7.931 29.015 ( 0.000 1.973 -6.533) 6.825 29.533 ( -0.000 -12.087 4.767) 12.993 33.545 ( -0.000 10.744 8.643) 13.789 ======================= Grid point 110 (58/125) ======================= q-point: (-0.47 -0.09 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 26.510 1.261 -3.935) 26.830 4.394 ( 0.161 -33.560 -9.252) 34.812 5.355 ( -8.972 2.079 1.128) 9.278 5.800 ( 5.042 -1.272 -3.628) 6.341 5.910 ( -1.307 4.845 14.139) 15.003 6.837 ( 3.987 -5.763 -9.902) 12.131 6.882 ( 6.116 -7.573 -18.291) 20.720 7.803 ( -3.290 18.284 -12.761) 22.538 8.290 ( -6.233 1.623 -13.682) 15.123 8.717 ( -15.192 5.969 0.455) 16.328 9.248 ( 9.122 -6.589 4.412) 12.087 9.985 ( 11.571 4.428 -6.346) 13.920 10.687 ( 0.831 -16.382 -10.093) 19.260 12.568 ( -6.326 9.052 17.751) 20.906 13.253 ( 5.117 9.332 -3.653) 11.252 13.615 ( -13.807 -5.052 -1.282) 14.758 14.096 ( 5.510 9.090 7.544) 13.035 14.415 ( -9.574 -2.945 7.012) 12.227 15.045 ( 1.669 -1.654 7.092) 7.471 15.405 ( 9.112 -7.138 7.748) 13.930 17.830 ( 2.172 -4.130 -5.159) 6.957 18.308 ( 7.471 -0.895 12.814) 14.860 18.738 ( 5.472 -4.530 -4.698) 8.517 19.106 ( -3.383 -4.703 -1.699) 6.038 19.319 ( -0.769 -0.974 -4.881) 5.037 19.383 ( -0.356 -0.550 -0.294) 0.718 23.824 ( -0.271 3.822 -3.115) 4.938 24.883 ( -8.371 13.463 7.804) 17.670 25.622 ( -11.545 1.154 12.435) 17.007 25.777 ( -3.173 0.708 3.097) 4.490 26.516 ( -5.501 2.711 -18.160) 19.168 27.160 ( 16.522 -0.165 -13.258) 21.184 28.405 ( 7.214 -11.041 9.072) 16.008 29.053 ( -0.018 1.294 -7.121) 7.237 29.345 ( 7.105 -12.630 4.767) 15.255 33.692 ( -11.908 15.608 10.592) 22.307 ======================= Grid point 114 (59/125) ======================= q-point: ( 0.53 -0.09 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.151 ( -6.969 28.842 16.477) 33.940 4.708 ( -12.649 11.093 9.566) 19.354 5.426 ( -13.038 -6.227 -6.114) 15.689 5.689 ( 5.058 -4.981 3.774) 8.040 6.156 ( -1.747 5.980 -6.702) 9.151 6.730 ( -6.214 4.066 11.749) 13.899 6.914 ( -7.576 8.774 17.328) 20.849 7.420 ( 5.253 1.307 -5.544) 7.749 8.006 ( 0.522 -7.178 5.337) 8.960 8.297 ( 8.302 -18.456 -11.094) 23.079 9.842 ( -6.854 14.234 -9.437) 18.403 9.993 ( 1.468 12.667 8.701) 15.437 10.822 ( -14.544 2.099 8.630) 17.041 12.429 ( 14.240 -12.811 -11.687) 22.438 13.195 ( -0.152 5.520 5.304) 7.657 13.457 ( -3.272 -9.458 -1.110) 10.070 13.944 ( 12.066 -0.365 -0.575) 12.085 14.342 ( 1.909 -14.059 -3.197) 14.543 15.302 ( -3.009 6.913 -2.600) 7.975 15.680 ( 0.822 2.963 -0.678) 3.149 18.135 ( -9.978 12.317 1.016) 15.884 18.467 ( -2.264 6.484 15.675) 17.114 18.501 ( 1.648 5.247 10.145) 11.540 19.048 ( -4.881 -5.636 -2.757) 7.949 19.484 ( 4.752 -0.747 -15.022) 15.773 19.621 ( 1.689 -4.036 -14.585) 15.227 23.609 ( -0.148 1.725 13.108) 13.222 24.488 ( 6.767 -15.343 4.189) 17.284 25.496 ( 7.349 -8.586 -8.643) 14.228 25.656 ( 2.140 -9.450 -3.410) 10.272 26.436 ( -7.104 9.782 -2.829) 12.415 27.191 ( -0.139 4.223 0.834) 4.307 28.856 ( 0.271 8.013 1.854) 8.229 28.965 ( -4.530 1.911 -2.169) 5.374 30.052 ( -11.854 20.341 -6.025) 24.302 33.008 ( 16.614 -25.452 6.563) 31.095 ======================= Grid point 117 (60/125) ======================= q-point: (-0.35 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.195 ( 0.000 -3.234 -19.129) 19.400 4.039 ( 0.000 -31.727 -23.240) 39.328 5.525 ( -0.000 -4.218 -1.534) 4.489 5.725 ( -0.000 -1.159 5.180) 5.308 6.099 ( 0.000 8.434 2.662) 8.844 6.364 ( 0.000 -10.992 -22.140) 24.719 6.500 ( 0.000 -13.899 -19.102) 23.623 7.618 ( 0.000 11.226 -8.750) 14.233 8.057 ( 0.000 -5.496 -10.184) 11.572 9.100 ( -0.000 1.148 9.431) 9.500 9.126 ( -0.000 -2.295 4.609) 5.149 9.752 ( 0.000 5.272 -5.127) 7.354 10.487 ( 0.000 -16.928 -9.479) 19.401 12.989 ( -0.000 12.044 16.416) 20.360 13.134 ( 0.000 11.548 -2.721) 11.864 13.810 ( -0.000 -3.602 -0.999) 3.738 14.154 ( -0.000 12.245 7.800) 14.518 14.689 ( -0.000 -4.946 10.639) 11.732 15.126 ( 0.000 2.000 0.782) 2.148 15.437 ( -0.000 -4.894 7.832) 9.235 17.659 ( 0.000 -8.171 -7.995) 11.432 18.204 ( 0.000 -0.584 -13.530) 13.543 18.429 ( 0.000 -2.800 -16.890) 17.121 19.276 ( -0.000 -1.620 7.340) 7.516 19.365 ( -0.000 0.474 15.034) 15.042 19.656 ( -0.000 -5.233 21.611) 22.235 23.610 ( 0.000 1.948 -16.624) 16.738 25.044 ( 0.000 12.232 -0.361) 12.238 25.900 ( 0.000 1.001 -2.960) 3.125 25.953 ( -0.000 -3.340 9.305) 9.886 26.467 ( 0.000 7.560 -9.903) 12.459 26.638 ( -0.000 -0.056 1.168) 1.169 28.546 ( -0.000 -7.038 11.928) 13.849 28.847 ( 0.000 -3.015 -7.623) 8.197 29.469 ( -0.000 -10.190 10.506) 14.636 33.936 ( 0.000 19.208 -0.008) 19.208 ======================= Grid point 118 (61/125) ======================= q-point: (-0.35 -0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.386 ( 11.955 -11.955 -23.294) 28.784 3.481 ( 16.527 -16.527 -20.897) 31.353 5.437 ( -6.062 6.062 -4.109) 9.507 5.799 ( 3.277 -3.277 6.482) 7.968 6.203 ( -5.329 5.329 3.033) 8.124 6.213 ( 7.262 -7.262 -28.239) 30.048 6.329 ( 11.698 -11.698 -20.553) 26.384 7.764 ( -5.997 5.997 -12.505) 15.110 7.973 ( 2.557 -2.557 -14.936) 15.368 8.952 ( -7.605 7.605 6.545) 12.590 9.251 ( 7.168 -7.168 7.842) 12.817 9.865 ( 1.642 -1.642 -7.766) 8.106 10.256 ( 7.031 -7.031 -7.256) 12.310 13.109 ( -7.165 7.165 17.344) 20.087 13.441 ( -8.753 8.753 -3.281) 12.806 13.565 ( -4.946 4.946 3.058) 7.634 14.418 ( 4.255 -4.255 18.646) 19.593 14.520 ( -6.349 6.349 2.223) 9.250 15.133 ( -0.774 0.774 1.901) 2.194 15.409 ( 8.821 -8.821 8.010) 14.825 17.586 ( 3.855 -3.855 -10.397) 11.740 18.251 ( 2.966 -2.966 -13.528) 14.163 18.344 ( 5.263 -5.263 -17.813) 19.306 19.193 ( -5.179 5.179 10.949) 13.173 19.472 ( 4.185 -4.185 19.355) 20.240 19.543 ( 2.186 -2.186 16.497) 16.785 23.634 ( -0.427 0.427 -16.924) 16.935 25.183 ( -11.420 11.420 -6.132) 17.275 25.873 ( -2.551 2.551 0.980) 3.739 25.966 ( 1.148 -1.148 8.459) 8.614 26.314 ( -11.506 11.506 -5.727) 17.251 26.875 ( 8.753 -8.753 -4.880) 13.306 28.456 ( 9.654 -9.654 17.308) 22.044 28.813 ( 0.998 -0.998 -11.273) 11.361 29.363 ( 5.847 -5.847 11.314) 14.013 34.140 ( -13.837 13.837 3.384) 19.859 ======================= Grid point 121 (62/125) ======================= q-point: (-0.35 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 578 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 4.995 34.426 -8.403) 35.787 4.835 ( 2.995 1.975 -0.378) 3.608 5.507 ( -5.565 -8.170 -3.951) 10.646 5.768 ( 8.196 -0.751 2.147) 8.506 6.101 ( -8.131 6.425 0.007) 10.363 6.816 ( 4.993 0.680 -3.782) 6.301 7.105 ( 10.249 8.347 -9.412) 16.226 7.331 ( -2.798 4.476 11.367) 12.532 8.010 ( 1.073 -12.310 -2.690) 12.646 8.198 ( -1.483 -19.223 9.571) 21.525 9.817 ( -7.203 13.999 -7.550) 17.460 10.062 ( 6.547 15.679 6.958) 18.361 11.057 ( 6.000 2.144 -2.470) 6.833 12.193 ( -7.050 -13.603 3.332) 15.679 13.234 ( 2.305 5.362 -2.074) 6.194 13.500 ( 0.801 -10.314 1.436) 10.444 13.785 ( -2.054 1.785 -1.576) 3.144 14.298 ( -2.470 -14.687 -1.639) 14.983 15.310 ( -2.433 7.567 -1.838) 8.158 15.664 ( -0.352 3.606 -0.276) 3.634 18.189 ( -4.636 9.377 -9.280) 13.983 18.499 ( 1.035 8.839 -15.687) 18.036 18.578 ( 9.510 7.169 9.433) 15.193 19.149 ( 3.973 -4.644 2.793) 6.719 19.388 ( -4.391 -2.733 8.710) 10.130 19.534 ( -6.663 -4.818 7.146) 10.894 23.640 ( 3.275 2.370 -8.151) 9.098 24.411 ( -1.037 -16.395 -4.784) 17.110 25.390 ( -3.214 -8.874 3.012) 9.907 25.630 ( -0.341 -9.100 3.041) 9.600 26.537 ( 2.206 9.695 7.441) 12.419 27.221 ( 3.603 3.315 5.764) 7.562 28.827 ( -2.699 8.391 -5.024) 10.146 29.029 ( 1.966 1.943 3.613) 4.549 30.149 ( -3.560 24.224 -0.594) 24.491 32.831 ( 0.373 -27.801 -6.230) 28.493 ======================= Grid point 122 (63/125) ======================= q-point: ( 0.65 -0.10 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.855 ( -7.628 7.628 12.509) 16.518 4.951 ( -4.381 4.381 -6.154) 8.732 5.149 ( -6.249 6.249 -12.174) 15.043 5.811 ( -0.102 0.102 10.063) 10.065 6.089 ( -7.559 7.559 -12.077) 16.129 6.890 ( 4.226 -4.226 2.299) 6.403 7.340 ( -2.246 2.246 -3.184) 4.497 7.413 ( -1.648 1.648 18.325) 18.473 7.762 ( 11.306 -11.306 -8.542) 18.127 8.003 ( 8.781 -8.781 10.364) 16.175 9.888 ( -11.435 11.435 -10.662) 19.369 10.338 ( -1.976 1.976 4.478) 5.278 11.131 ( -8.874 8.874 10.995) 16.685 11.950 ( 11.585 -11.585 -7.575) 18.051 13.314 ( 0.867 -0.867 -1.390) 1.853 13.389 ( 0.480 -0.480 5.084) 5.129 13.869 ( 3.266 -3.266 -3.986) 6.101 14.045 ( 4.420 -4.420 -5.136) 8.091 15.358 ( -6.470 6.470 -4.084) 10.020 15.699 ( 0.114 -0.114 -1.032) 1.045 18.214 ( -8.537 8.537 -10.493) 15.996 18.599 ( -2.058 2.058 -19.229) 19.448 18.978 ( 0.410 -0.410 15.702) 15.713 19.007 ( -0.472 0.472 21.153) 21.163 19.307 ( 1.133 -1.133 2.361) 2.854 19.355 ( -0.118 0.118 -7.777) 7.779 23.741 ( 0.122 -0.122 -3.350) 3.354 24.180 ( 10.410 -10.410 -8.455) 16.977 25.281 ( 0.942 -0.942 1.641) 2.114 25.523 ( 4.922 -4.922 3.973) 8.014 26.667 ( -6.789 6.789 7.936) 12.457 27.281 ( 5.669 -5.669 10.920) 13.547 28.891 ( -5.614 5.614 -5.617) 9.725 29.068 ( -0.231 0.231 2.227) 2.251 30.410 ( -24.667 24.667 -5.706) 35.348 32.506 ( 24.183 -24.183 -4.467) 34.490 ======================= Grid point 125 (64/125) ======================= q-point: (-0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 0.000 -4.630 -33.025) 33.348 2.843 ( 0.000 -28.629 -32.079) 42.996 4.949 ( 0.000 -7.293 -51.726) 52.238 5.595 ( 0.000 -7.652 -23.219) 24.447 5.902 ( -0.000 -3.133 5.047) 5.940 5.981 ( -0.000 -9.617 1.968) 9.816 6.216 ( 0.000 6.059 -7.411) 9.573 7.624 ( 0.000 3.498 -2.483) 4.290 7.756 ( -0.000 -8.572 -2.209) 8.852 9.199 ( -0.000 -0.469 3.477) 3.508 9.253 ( -0.000 -4.607 6.778) 8.196 9.688 ( 0.000 1.077 -7.097) 7.178 10.067 ( 0.000 -8.459 -5.531) 10.106 13.456 ( 0.000 19.822 -0.049) 19.822 13.505 ( -0.000 7.709 13.477) 15.526 13.730 ( -0.000 -2.430 -0.443) 2.470 14.596 ( 0.000 18.258 3.939) 18.678 14.904 ( -0.000 -3.630 23.015) 23.300 15.126 ( 0.000 1.533 -4.263) 4.530 15.442 ( -0.000 -15.005 10.115) 18.096 17.306 ( 0.000 -3.743 -12.553) 13.099 17.833 ( 0.000 -0.098 -19.369) 19.369 17.941 ( 0.000 -8.953 -17.128) 19.327 19.593 ( -0.000 6.960 16.188) 17.621 19.783 ( -0.000 0.350 22.341) 22.343 19.964 ( -0.000 -10.060 23.294) 25.374 23.236 ( 0.000 1.046 -21.483) 21.509 25.101 ( 0.000 8.806 -14.326) 16.816 25.744 ( 0.000 1.202 -13.193) 13.248 25.867 ( 0.000 -8.695 -6.946) 11.128 26.659 ( -0.000 7.584 9.262) 11.971 26.749 ( -0.000 -0.549 9.006) 9.023 28.642 ( 0.000 -0.047 -2.241) 2.242 28.761 ( -0.000 -8.795 19.665) 21.542 29.507 ( -0.000 -5.661 8.505) 10.217 34.309 ( 0.000 21.560 -3.889) 21.908 ======================= Grid point 128 (65/125) ======================= q-point: (-0.23 -0.10 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.759 ( 13.654 26.766 -20.541) 36.398 4.442 ( 19.830 21.705 -16.210) 33.572 5.488 ( 13.334 -2.495 -1.998) 13.712 5.616 ( -6.198 -9.812 -4.280) 12.370 6.258 ( -0.155 5.526 3.343) 6.460 6.486 ( 8.166 4.880 -12.779) 15.930 6.525 ( 16.094 11.514 -17.634) 26.506 7.619 ( -2.101 6.267 13.123) 14.694 7.951 ( 4.591 -9.938 1.775) 11.090 8.560 ( -7.751 -13.765 13.311) 20.657 9.758 ( -3.115 8.504 -10.454) 13.832 10.070 ( 6.059 9.339 7.665) 13.516 10.687 ( 15.950 7.791 -2.873) 17.982 12.663 ( -17.073 -12.714 11.189) 24.048 13.069 ( 1.623 3.018 -6.641) 7.473 13.512 ( 1.806 -7.773 4.099) 8.971 13.920 ( -11.639 -1.327 -2.589) 11.997 14.354 ( -6.357 -15.542 -2.255) 16.943 15.316 ( -1.451 6.979 -1.734) 7.336 15.674 ( -2.570 -0.495 -2.275) 3.468 17.861 ( 5.088 6.749 -20.763) 22.417 18.181 ( 3.026 7.856 -9.499) 12.693 18.523 ( 13.907 11.673 7.540) 19.660 19.095 ( -1.570 -5.064 2.177) 5.731 19.807 ( -8.485 -3.007 11.551) 14.645 19.967 ( -5.126 -5.200 21.491) 22.697 23.264 ( 3.066 2.787 -19.549) 19.983 24.297 ( -6.226 -17.752 -13.697) 23.271 25.613 ( -6.001 -1.755 1.798) 6.506 25.833 ( -5.836 -10.167 14.021) 18.276 26.662 ( 11.249 11.436 19.270) 25.073 27.258 ( 5.916 6.257 6.407) 10.733 28.745 ( 0.545 5.054 -4.232) 6.615 29.102 ( 0.910 1.140 7.487) 7.628 30.140 ( 6.228 18.495 2.155) 19.634 32.733 ( -16.599 -26.241 -20.981) 37.474 ======================= Grid point 129 (66/125) ======================= q-point: (-0.23 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 16.134 17.909 -13.327) 27.544 5.055 ( -4.092 0.205 0.787) 4.172 5.239 ( -7.170 10.472 -10.275) 16.330 5.747 ( 11.662 -5.067 0.854) 12.743 6.204 ( -16.046 8.701 -5.775) 19.145 6.653 ( 11.082 -5.951 -8.566) 15.218 7.097 ( 15.080 10.092 -6.268) 19.197 7.590 ( -4.918 -11.128 -0.840) 12.196 7.850 ( 3.174 2.172 20.481) 20.839 8.198 ( -2.070 -11.380 17.445) 20.931 9.863 ( -7.768 11.433 -11.996) 18.302 10.227 ( 6.374 -3.880 -7.542) 10.609 11.278 ( 14.696 17.646 7.938) 24.297 12.015 ( -16.466 -16.601 9.080) 25.084 13.230 ( 5.291 3.029 -4.171) 7.386 13.411 ( 1.219 -5.163 2.564) 5.892 13.765 ( -3.599 1.639 -3.573) 5.329 13.956 ( -4.195 -10.788 -5.554) 12.839 15.395 ( -5.363 7.532 -5.933) 10.986 15.612 ( 0.209 -2.293 -7.135) 7.497 18.062 ( 2.675 6.327 -15.532) 16.983 18.233 ( -3.257 -1.585 -10.191) 10.816 19.059 ( 6.474 14.285 2.911) 15.951 19.193 ( 12.093 6.950 10.312) 17.346 19.482 ( -8.905 -8.842 2.341) 12.766 19.669 ( -10.384 -9.256 21.713) 25.787 23.452 ( 6.445 5.622 -16.287) 18.396 23.852 ( -3.422 -15.371 -15.263) 21.930 25.484 ( -4.488 0.602 9.947) 10.929 25.609 ( -0.061 -5.716 9.934) 11.462 27.008 ( -1.410 11.258 17.794) 21.103 27.420 ( 9.749 -6.002 17.203) 20.664 28.878 ( -0.650 7.098 -3.581) 7.976 29.071 ( -1.524 -2.334 0.171) 2.793 30.654 ( -8.562 30.392 -7.157) 32.376 31.976 ( 4.650 -32.463 -16.204) 36.579 ======================= Grid point 133 (67/125) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 0.000 0.000 -40.617) 40.617 1.753 ( 0.000 0.000 -40.617) 40.617 3.479 ( 0.000 0.000 -77.292) 77.292 5.020 ( 0.000 0.000 -21.241) 21.241 5.967 ( -0.000 -0.000 2.517) 2.517 5.967 ( -0.000 -0.000 2.517) 2.517 6.052 ( 0.000 0.000 -13.359) 13.359 7.745 ( -0.000 -0.000 11.834) 11.834 7.745 ( -0.000 -0.000 11.834) 11.834 9.191 ( 0.000 0.000 -4.274) 4.274 9.191 ( 0.000 0.000 -4.274) 4.274 9.556 ( 0.000 0.000 -6.121) 6.121 9.909 ( 0.000 0.000 -2.846) 2.846 13.686 ( 0.000 0.000 -0.557) 0.557 13.686 ( 0.000 0.000 -0.557) 0.557 13.828 ( -0.000 -0.000 9.539) 9.539 15.028 ( 0.000 0.000 -6.324) 6.324 15.028 ( 0.000 0.000 -6.324) 6.324 15.303 ( -0.000 -0.000 20.146) 20.146 15.445 ( -0.000 -0.000 26.657) 26.657 17.045 ( 0.000 0.000 -11.834) 11.834 17.474 ( 0.000 0.000 -15.404) 15.404 17.474 ( 0.000 0.000 -15.404) 15.404 20.117 ( -0.000 -0.000 20.462) 20.462 20.215 ( -0.000 -0.000 19.030) 19.030 20.215 ( -0.000 -0.000 19.030) 19.030 22.841 ( 0.000 0.000 -18.112) 18.112 24.838 ( 0.000 0.000 -20.973) 20.973 25.473 ( 0.000 0.000 -13.626) 13.626 25.473 ( 0.000 0.000 -13.626) 13.626 26.930 ( -0.000 -0.000 8.530) 8.530 26.930 ( -0.000 -0.000 8.530) 8.530 28.632 ( -0.000 -0.000 2.205) 2.205 29.108 ( -0.000 -0.000 20.102) 20.102 29.584 ( -0.000 -0.000 4.779) 4.779 34.561 ( 0.000 0.000 -0.725) 0.725 ======================= Grid point 135 (68/125) ======================= q-point: (-0.11 -0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 22.735 22.735 -21.976) 38.945 3.553 ( 30.878 30.878 -18.446) 47.404 4.707 ( 21.421 21.421 -36.651) 47.550 5.668 ( -8.941 -8.941 -8.526) 15.251 5.877 ( 17.927 17.927 -11.474) 27.828 6.194 ( 2.746 2.746 -3.911) 5.511 6.273 ( 5.043 5.043 3.741) 8.053 7.905 ( 0.489 0.489 6.152) 6.191 8.011 ( 3.651 3.651 21.739) 22.344 8.882 ( -6.386 -6.386 1.686) 9.187 9.567 ( 0.618 0.618 -7.503) 7.554 10.076 ( 1.782 1.782 -1.495) 2.930 10.485 ( 16.870 16.870 16.730) 29.139 12.961 ( -4.167 -4.167 -6.031) 8.433 13.202 ( -13.044 -13.044 10.222) 21.089 13.630 ( -2.129 -2.129 6.460) 7.127 14.030 ( -7.202 -7.202 -6.953) 12.333 14.461 ( -11.803 -11.803 -4.998) 17.424 15.310 ( -2.759 -2.759 -2.298) 4.528 15.648 ( -5.066 -5.066 -8.190) 10.881 17.321 ( 7.204 7.204 -17.721) 20.441 17.936 ( 9.196 9.196 -3.539) 13.479 18.311 ( 17.818 17.818 5.225) 25.734 19.353 ( -10.707 -10.707 8.889) 17.559 20.150 ( -8.524 -8.524 5.242) 13.145 20.497 ( -1.254 -1.254 22.593) 22.663 22.797 ( 2.235 2.235 -20.167) 20.413 24.156 ( -11.858 -11.858 -16.951) 23.844 25.619 ( 0.348 0.348 -6.327) 6.346 26.326 ( -8.401 -8.401 16.743) 20.530 26.926 ( 17.219 17.219 37.286) 44.534 27.225 ( 6.760 6.760 3.676) 10.243 28.707 ( 2.190 2.190 3.607) 4.754 29.275 ( -0.326 -0.326 9.332) 9.343 30.005 ( 9.439 9.439 0.934) 13.381 32.560 ( -25.582 -25.582 -40.968) 54.656 ======================= Grid point 136 (69/125) ======================= q-point: (-0.11 -0.11 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.859 ( 21.413 21.413 -14.033) 33.376 4.723 ( 26.117 26.117 -11.481) 38.679 5.234 ( -12.654 -12.654 -7.098) 19.252 5.468 ( 14.948 14.948 -10.106) 23.430 6.199 ( -2.685 -2.685 -12.578) 13.139 6.392 ( -0.093 -0.093 0.505) 0.522 6.624 ( 18.280 18.280 -5.128) 26.355 7.760 ( -8.146 -8.146 3.703) 12.101 8.199 ( 5.533 5.533 24.070) 25.310 8.638 ( -5.441 -5.441 12.755) 14.897 9.635 ( 3.046 3.046 -12.713) 13.423 10.009 ( -4.188 -4.188 -9.677) 11.346 11.176 ( 17.496 17.496 15.764) 29.339 12.595 ( -16.711 -16.711 11.490) 26.278 12.987 ( 4.707 4.707 -6.752) 9.482 13.538 ( -3.236 -3.236 7.393) 8.695 13.809 ( -3.709 -3.709 -1.760) 5.532 13.976 ( -10.854 -10.854 -6.438) 16.646 15.233 ( -0.684 -0.684 -15.248) 15.279 15.432 ( -5.081 -5.081 -16.008) 17.547 17.647 ( 9.127 9.127 -10.999) 16.958 18.226 ( 2.380 2.380 4.518) 5.634 19.029 ( -2.665 -2.665 -1.967) 4.251 19.074 ( 19.096 19.096 11.196) 29.234 19.719 ( -11.839 -11.839 0.023) 16.743 20.301 ( -8.693 -8.693 20.317) 23.746 22.963 ( 5.942 5.942 -17.616) 19.518 23.684 ( -11.313 -11.313 -16.121) 22.713 25.632 ( 0.921 0.921 2.047) 2.426 25.982 ( -7.802 -7.802 14.473) 18.199 27.478 ( 9.300 9.300 35.176) 37.554 27.503 ( 6.277 6.277 7.522) 11.635 28.827 ( 3.765 3.765 4.714) 7.112 29.183 ( -3.882 -3.882 4.231) 6.932 30.437 ( 11.937 11.937 -7.490) 18.469 31.662 ( -19.468 -19.468 -33.568) 43.414 ======================= Grid point 137 (70/125) ======================= q-point: (-0.11 -0.11 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.635 ( -17.023 -17.023 -10.126) 26.117 4.635 ( 17.023 17.023 -10.126) 26.117 5.558 ( -12.746 -12.746 -1.305) 18.072 5.558 ( 12.746 12.746 -1.305) 18.072 6.236 ( -5.475 -5.475 -10.975) 13.432 6.236 ( 5.475 5.475 -10.975) 13.432 7.290 ( -14.489 -14.489 0.253) 20.492 7.290 ( 14.489 14.489 0.253) 20.492 8.426 ( -5.332 -5.332 22.111) 23.361 8.426 ( 5.332 5.332 22.111) 23.361 9.807 ( -4.519 -4.519 -14.550) 15.892 9.807 ( 4.519 4.519 -14.550) 15.892 11.891 ( -17.928 -17.928 13.006) 28.496 11.891 ( 17.928 17.928 13.006) 28.496 13.278 ( -8.723 -8.723 -2.373) 12.562 13.278 ( 8.723 8.723 -2.373) 12.562 13.743 ( -0.724 -0.724 -0.694) 1.237 13.743 ( 0.724 0.724 -0.694) 1.237 15.272 ( -2.412 -2.412 -19.414) 19.712 15.272 ( 2.412 2.412 -19.414) 19.712 18.033 ( -9.173 -9.173 -0.233) 12.975 18.033 ( 9.173 9.173 -0.233) 12.975 19.235 ( -9.969 -9.969 -3.514) 14.530 19.235 ( 9.969 9.969 -3.514) 14.530 19.806 ( -15.460 -15.460 16.074) 27.136 19.806 ( 15.460 15.460 16.074) 27.136 23.268 ( -9.054 -9.054 -16.299) 20.728 23.268 ( 9.054 9.054 -16.299) 20.728 25.733 ( -4.333 -4.333 9.590) 11.381 25.733 ( 4.333 4.333 9.590) 11.381 27.654 ( -0.029 -0.029 21.038) 21.038 27.654 ( 0.029 0.029 21.038) 21.038 29.001 ( -4.625 -4.625 3.854) 7.591 29.001 ( 4.625 4.625 3.854) 7.591 30.974 ( -13.344 -13.344 -20.570) 27.915 30.974 ( 13.344 13.344 -20.570) 27.915 ======================= Grid point 150 (71/125) ======================= q-point: ( 0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.000 27.660 -0.000) 27.660 1.833 ( 0.000 43.573 -0.000) 43.573 3.182 ( 0.000 72.784 -0.000) 72.784 5.159 ( 0.000 27.707 -0.000) 27.707 5.597 ( -0.000 -4.834 0.000) 4.834 6.113 ( 0.000 5.379 -0.000) 5.379 6.183 ( 0.000 5.688 -0.000) 5.688 8.427 ( 0.000 2.642 -0.000) 2.642 8.511 ( 0.000 7.081 -0.000) 7.081 8.810 ( 0.000 0.847 -0.000) 0.847 9.463 ( 0.000 1.330 -0.000) 1.330 9.997 ( 0.000 7.250 -0.000) 7.250 11.106 ( -0.000 -16.355 0.000) 16.355 12.709 ( -0.000 -0.885 0.000) 0.885 13.662 ( -0.000 -6.222 0.000) 6.222 13.699 ( 0.000 1.696 -0.000) 1.696 13.810 ( -0.000 -5.039 0.000) 5.039 14.796 ( -0.000 -3.742 0.000) 3.742 15.008 ( -0.000 -20.338 0.000) 20.338 15.790 ( -0.000 -17.992 0.000) 17.992 17.114 ( -0.000 -1.221 0.000) 1.221 17.134 ( 0.000 22.585 -0.000) 22.585 18.123 ( 0.000 25.367 -0.000) 25.367 19.832 ( -0.000 -25.796 0.000) 25.796 20.617 ( -0.000 -1.077 0.000) 1.077 20.924 ( -0.000 -2.407 0.000) 2.407 22.245 ( 0.000 4.468 -0.000) 4.468 24.216 ( -0.000 -1.886 0.000) 1.886 25.112 ( -0.000 -1.960 0.000) 1.960 26.931 ( -0.000 -7.913 0.000) 7.913 27.134 ( 0.000 1.095 -0.000) 1.095 28.728 ( -0.000 -0.848 0.000) 0.848 29.145 ( 0.000 20.409 -0.000) 20.409 29.175 ( -0.000 -18.375 0.000) 18.375 29.634 ( -0.000 -0.283 0.000) 0.283 31.038 ( 0.000 3.232 -0.000) 3.232 ======================= Grid point 151 (72/125) ======================= q-point: ( 0.12 -0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 52.344 17.593 0.000) 55.221 2.796 ( 11.811 36.931 -0.000) 38.774 4.562 ( 3.480 58.537 -0.000) 58.641 5.426 ( -5.753 -6.147 0.000) 8.419 5.885 ( 8.414 32.855 -0.000) 33.915 6.163 ( -1.532 -2.947 0.000) 3.321 6.311 ( 5.300 2.500 0.000) 5.859 8.542 ( 3.506 5.967 -0.000) 6.921 8.641 ( -17.196 1.052 -0.000) 17.228 8.711 ( 2.068 10.518 -0.000) 10.719 9.471 ( -1.122 -0.075 -0.000) 1.124 10.007 ( -9.997 1.634 -0.000) 10.129 11.055 ( 22.439 -10.841 0.000) 24.920 12.727 ( 0.036 3.660 -0.000) 3.660 13.329 ( -5.647 -18.264 0.000) 19.117 13.761 ( 0.861 3.582 -0.000) 3.684 13.826 ( 2.173 2.561 -0.000) 3.358 14.372 ( -15.282 -11.978 -0.000) 19.417 14.824 ( 3.893 -13.884 0.000) 14.420 15.251 ( -13.775 -16.844 0.000) 21.760 17.064 ( 2.230 5.502 -0.000) 5.937 17.866 ( 19.560 17.200 0.000) 26.047 18.726 ( 6.618 27.218 -0.000) 28.011 19.253 ( -2.727 -28.423 0.000) 28.554 20.353 ( -17.232 -4.119 -0.000) 17.717 20.900 ( 5.068 -9.177 0.000) 10.483 22.383 ( 1.908 7.417 -0.000) 7.659 23.910 ( -19.457 -3.362 -0.000) 19.745 25.258 ( 13.636 -1.286 0.000) 13.697 26.662 ( -7.515 -9.866 0.000) 12.402 27.244 ( 6.742 2.587 0.000) 7.221 28.771 ( 7.073 -1.393 0.000) 7.209 28.813 ( 3.112 -22.339 0.000) 22.554 29.634 ( 1.141 25.273 -0.000) 25.299 29.654 ( 5.873 -6.009 0.000) 8.403 30.949 ( -15.656 6.656 -0.000) 17.012 ======================= Grid point 152 (73/125) ======================= q-point: ( 0.12 -0.12 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 330 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.715 ( 13.516 28.148 -0.000) 31.225 3.724 ( 54.424 10.676 0.000) 55.462 5.052 ( -11.108 -7.956 -0.000) 13.663 5.670 ( 2.657 38.380 -0.000) 38.472 5.810 ( -3.731 -25.458 0.000) 25.730 6.416 ( -0.113 1.546 -0.000) 1.550 6.777 ( 10.054 32.576 -0.000) 34.093 8.204 ( -24.550 -2.241 -0.000) 24.652 8.818 ( 7.032 10.472 -0.000) 12.614 8.996 ( 3.022 12.088 -0.000) 12.460 9.395 ( -4.273 -2.484 -0.000) 4.942 9.712 ( -11.615 -7.306 -0.000) 13.721 11.476 ( 25.164 2.524 0.000) 25.290 12.741 ( -7.732 -19.787 0.000) 21.244 12.917 ( 1.067 8.462 -0.000) 8.529 13.807 ( -17.072 -11.236 -0.000) 20.438 13.893 ( 3.211 6.299 -0.000) 7.070 13.979 ( 6.138 4.329 0.000) 7.511 14.534 ( -6.679 -11.096 0.000) 12.951 14.668 ( -11.371 -14.411 0.000) 18.357 17.390 ( 17.438 5.906 0.000) 18.411 18.582 ( 15.406 18.903 -0.000) 24.385 18.602 ( -4.473 -28.607 0.000) 28.955 19.449 ( 12.977 23.977 -0.000) 27.264 19.846 ( -20.379 -7.740 -0.000) 21.800 20.674 ( -4.894 -13.958 0.000) 14.791 22.625 ( 3.737 11.108 -0.000) 11.719 23.428 ( -19.016 -4.880 -0.000) 19.633 25.538 ( 13.520 1.841 0.000) 13.645 26.276 ( -8.517 -11.714 0.000) 14.483 27.507 ( 12.645 4.279 0.000) 13.350 28.382 ( -0.894 -22.332 0.000) 22.350 28.964 ( 13.830 -0.548 0.000) 13.841 29.556 ( 4.432 -14.670 0.000) 15.325 30.140 ( -2.363 25.044 -0.000) 25.155 30.753 ( -20.479 10.390 -0.000) 22.964 ======================= Grid point 153 (74/125) ======================= q-point: ( 0.12 -0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( -13.278 -9.991 -0.000) 16.617 4.419 ( 9.991 13.278 -0.000) 16.617 5.024 ( -4.768 -38.225 0.000) 38.521 5.024 ( 38.225 4.768 0.000) 38.521 6.269 ( -16.175 0.135 -0.000) 16.176 6.269 ( -0.135 16.175 -0.000) 16.176 7.574 ( -28.908 -6.719 -0.000) 29.678 7.574 ( 6.719 28.908 -0.000) 29.678 9.179 ( -6.268 -3.912 0.000) 7.389 9.179 ( 3.912 6.268 0.000) 7.389 9.319 ( -6.889 0.086 0.000) 6.889 9.319 ( -0.086 6.889 0.000) 6.889 12.097 ( -8.199 -24.442 0.000) 25.781 12.097 ( 24.442 8.199 0.000) 25.781 13.277 ( -16.503 -6.678 -0.000) 17.803 13.277 ( 6.678 16.503 -0.000) 17.803 14.163 ( -10.062 -6.277 -0.000) 11.859 14.163 ( 6.277 10.062 -0.000) 11.859 14.248 ( -5.302 -11.227 0.000) 12.416 14.248 ( 11.227 5.302 0.000) 12.416 17.949 ( -3.946 -23.881 0.000) 24.205 17.949 ( 23.881 3.946 0.000) 24.205 19.244 ( -18.093 -8.813 0.000) 20.126 19.244 ( 8.813 18.093 0.000) 20.126 20.155 ( -15.720 -15.557 0.000) 22.116 20.155 ( 15.557 15.720 0.000) 22.116 22.979 ( -14.381 -4.060 -0.000) 14.943 22.979 ( 4.060 14.381 -0.000) 14.943 25.880 ( -5.753 -12.798 0.000) 14.031 25.880 ( 12.798 5.753 0.000) 14.031 27.912 ( -0.230 -14.881 0.000) 14.882 27.912 ( 14.881 0.230 0.000) 14.882 29.273 ( 4.939 -13.369 0.000) 14.252 29.273 ( 13.369 -4.939 0.000) 14.252 30.516 ( -16.704 13.739 0.000) 21.628 30.516 ( -13.739 16.704 0.000) 21.628 ======================= Grid point 159 (75/125) ======================= q-point: ( 0.24 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( -0.000 21.005 17.811) 27.540 2.934 ( -0.000 35.538 23.282) 42.485 4.724 ( 0.000 55.768 18.858) 58.870 5.566 ( -0.000 -6.551 7.434) 9.909 5.856 ( 0.000 33.426 5.576) 33.888 6.200 ( -0.000 -5.170 -0.438) 5.189 6.208 ( 0.000 5.270 -2.034) 5.649 8.223 ( 0.000 5.187 -26.530) 27.032 8.461 ( 0.000 6.829 -4.799) 8.347 9.177 ( -0.000 6.213 14.340) 15.628 9.494 ( -0.000 0.034 0.767) 0.768 10.238 ( -0.000 11.420 6.164) 12.977 10.339 ( 0.000 -9.287 -31.357) 32.704 12.791 ( -0.000 -0.923 4.046) 4.150 13.331 ( -0.000 -18.852 -5.305) 19.584 13.796 ( -0.000 -4.336 3.501) 5.573 13.810 ( 0.000 2.244 0.570) 2.315 14.747 ( -0.000 -5.778 4.581) 7.374 14.760 ( -0.000 -16.259 10.858) 19.551 15.503 ( -0.000 -18.448 8.669) 20.383 17.186 ( -0.000 -0.971 9.408) 9.458 17.553 ( 0.000 23.428 -3.648) 23.710 18.589 ( 0.000 24.889 -6.496) 25.723 19.310 ( -0.000 -25.633 1.930) 25.706 20.480 ( 0.000 -1.369 -10.687) 10.775 20.669 ( 0.000 -10.655 -10.350) 14.854 22.481 ( -0.000 6.470 11.312) 13.032 24.330 ( -0.000 -3.404 14.373) 14.770 25.152 ( -0.000 -2.582 8.173) 8.571 26.648 ( 0.000 -11.177 -9.885) 14.921 27.120 ( 0.000 2.257 -4.547) 5.076 27.946 ( 0.000 13.763 -50.948) 52.774 28.770 ( 0.000 0.069 -5.068) 5.068 29.401 ( 0.000 -3.300 -6.444) 7.240 29.758 ( -0.000 2.350 2.659) 3.549 31.828 ( -0.000 -7.570 51.255) 51.811 ======================= Grid point 160 (76/125) ======================= q-point: ( 0.24 -0.13 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 40.358 15.647 8.746) 44.160 3.702 ( 8.938 29.562 18.374) 35.936 5.334 ( -7.388 -7.728 8.208) 13.478 5.715 ( 0.932 37.609 8.462) 38.561 5.892 ( -2.561 -22.430 1.703) 22.640 6.343 ( 4.430 3.998 -2.309) 6.398 6.640 ( 5.299 35.266 2.186) 35.729 8.304 ( -5.182 5.461 -24.076) 25.225 8.666 ( 2.721 10.815 -6.316) 12.817 9.082 ( -17.527 4.988 3.521) 18.560 9.456 ( -2.010 -1.445 -0.488) 2.523 10.023 ( -4.957 -4.689 4.032) 7.926 10.809 ( 25.165 6.102 -7.924) 27.079 12.817 ( -5.488 -16.354 -4.299) 17.778 12.927 ( 1.244 3.024 1.459) 3.580 13.734 ( -0.084 -2.506 -5.617) 6.151 13.844 ( -1.000 2.164 -2.904) 3.757 14.276 ( -14.325 -8.451 9.159) 18.987 14.710 ( 4.534 -10.013 10.457) 15.172 15.073 ( -6.221 -14.953 14.174) 21.522 17.217 ( 5.873 2.120 8.340) 10.418 18.191 ( 14.981 19.272 -5.154) 24.948 18.655 ( -1.351 -25.026 -0.797) 25.075 19.231 ( 4.583 21.783 -3.578) 22.546 20.161 ( -14.896 -9.085 -6.231) 18.527 20.563 ( 3.425 -9.893 -11.447) 15.513 22.672 ( 1.860 10.695 9.973) 14.742 23.987 ( -20.762 -3.774 13.410) 25.003 25.292 ( 14.108 -1.871 5.682) 15.324 26.333 ( -5.794 -12.978 -9.383) 17.031 27.249 ( 6.816 2.626 -5.383) 9.074 28.111 ( 4.803 -3.052 -21.848) 22.577 28.763 ( 6.173 -5.891 -0.614) 8.554 29.336 ( 0.964 -4.771 -12.410) 13.331 29.915 ( 0.681 10.669 -10.318) 14.858 31.684 ( -12.491 6.485 40.728) 43.091 ======================= Grid point 161 (77/125) ======================= q-point: ( 0.24 -0.13 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.918 ( 43.537 11.054 2.049) 44.965 4.417 ( 12.778 17.897 15.960) 27.172 4.893 ( -10.612 -19.233 2.391) 22.096 5.229 ( -6.862 -28.282 8.287) 30.260 6.264 ( -1.344 15.306 -0.981) 15.396 6.481 ( 0.172 4.195 3.949) 5.764 7.437 ( 4.038 32.602 -2.184) 32.923 8.084 ( -24.215 1.091 -8.042) 25.539 8.897 ( -5.202 2.979 -21.730) 22.542 8.960 ( 2.185 9.556 -8.244) 12.808 9.350 ( -3.315 -3.331 1.204) 4.852 9.884 ( -5.767 1.758 18.871) 19.811 11.477 ( 26.381 7.735 -7.712) 28.553 12.194 ( -8.492 -24.976 -5.568) 26.961 13.224 ( 3.003 15.378 3.250) 16.002 13.601 ( -10.328 -3.589 -1.337) 11.015 13.863 ( -0.207 0.969 -11.180) 11.224 13.928 ( -7.150 -1.123 -2.605) 7.692 14.598 ( 2.874 -6.767 17.101) 18.614 14.749 ( -1.645 -7.594 24.099) 25.321 17.508 ( 16.536 2.539 3.795) 17.155 18.077 ( -2.219 -23.785 3.479) 24.140 18.881 ( 14.652 15.918 -6.861) 22.697 19.582 ( -10.012 -10.837 -5.196) 15.642 19.844 ( 4.531 16.402 -5.096) 17.763 20.311 ( -8.155 -10.268 -9.389) 16.127 22.977 ( 2.763 13.861 8.300) 16.390 23.494 ( -19.921 -1.939 14.103) 24.485 25.574 ( 14.292 1.256 -0.792) 14.368 25.943 ( -5.391 -13.474 -5.406) 15.487 27.447 ( 8.698 -0.668 -10.895) 13.957 28.042 ( 4.668 -10.304 4.645) 12.229 28.821 ( 9.288 -5.058 -9.027) 13.905 29.233 ( 4.607 -9.675 -5.761) 12.167 30.115 ( -5.757 11.964 -22.792) 26.378 31.604 ( -16.571 14.612 36.861) 42.975 ======================= Grid point 167 (78/125) ======================= q-point: ( 0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -0.000 13.746 20.131) 24.377 4.066 ( -0.000 26.942 24.639) 36.510 5.571 ( -0.000 -7.343 5.974) 9.467 5.942 ( -0.000 -15.702 5.128) 16.518 6.046 ( -0.000 26.960 18.036) 32.437 6.164 ( 0.000 2.018 -8.681) 8.913 6.661 ( 0.000 32.174 4.804) 32.531 7.807 ( 0.000 4.630 -23.023) 23.484 8.507 ( 0.000 10.188 -8.237) 13.101 9.451 ( 0.000 -2.498 -3.298) 4.137 9.508 ( -0.000 8.356 4.386) 9.437 9.604 ( 0.000 -8.674 -22.832) 24.424 10.694 ( -0.000 13.643 11.724) 17.989 12.765 ( -0.000 -22.205 -7.765) 23.523 12.945 ( 0.000 9.165 3.430) 9.786 13.670 ( -0.000 -6.885 -0.588) 6.910 13.877 ( -0.000 1.859 1.071) 2.146 14.670 ( -0.000 -11.654 5.795) 13.015 14.755 ( -0.000 -6.096 8.481) 10.445 15.377 ( -0.000 -13.964 9.874) 17.102 17.448 ( -0.000 -0.256 17.246) 17.248 17.926 ( 0.000 18.403 -3.127) 18.667 18.629 ( -0.000 -8.881 -2.701) 9.282 19.133 ( 0.000 6.941 -1.555) 7.113 20.152 ( 0.000 -1.331 -18.347) 18.395 20.171 ( 0.000 -14.447 -12.025) 18.797 22.937 ( -0.000 9.532 17.301) 19.753 24.559 ( -0.000 -4.811 14.357) 15.141 25.321 ( -0.000 -2.797 13.285) 13.576 26.153 ( 0.000 -11.889 -12.168) 17.012 27.046 ( 0.000 3.353 -8.361) 9.008 27.454 ( 0.000 15.864 -32.485) 36.151 28.637 ( 0.000 -3.207 -4.652) 5.650 29.176 ( 0.000 -5.680 -4.117) 7.015 29.751 ( 0.000 -0.999 -4.432) 4.543 32.603 ( -0.000 -0.254 34.265) 34.266 ======================= Grid point 168 (79/125) ======================= q-point: ( 0.36 -0.14 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 32.364 10.456 13.215) 36.489 4.608 ( 4.475 20.204 18.398) 27.690 5.145 ( -4.590 -30.655 7.422) 31.873 5.544 ( -7.045 -11.222 6.047) 14.565 6.196 ( 0.479 3.939 -9.045) 9.877 6.548 ( 5.300 9.901 12.080) 16.494 7.329 ( 1.351 30.008 -3.340) 30.224 7.947 ( 1.065 7.777 -21.451) 22.842 8.727 ( -2.983 13.507 -11.935) 18.270 8.965 ( -24.685 -3.894 -11.202) 27.386 9.385 ( -1.079 -4.169 -1.845) 4.685 10.042 ( 15.815 2.780 0.196) 16.059 11.003 ( 8.800 8.800 3.751) 12.998 12.250 ( -6.412 -20.593 -3.253) 21.812 13.218 ( 3.291 12.598 0.940) 13.054 13.620 ( 0.650 1.442 0.485) 1.655 13.813 ( -7.010 0.257 -2.180) 7.345 14.270 ( -13.784 -7.636 6.179) 16.925 14.752 ( 7.410 -7.291 10.226) 14.582 15.148 ( 3.112 -10.756 15.900) 19.447 17.501 ( 5.748 1.053 16.331) 17.345 18.161 ( -0.861 -13.685 -2.016) 13.860 18.501 ( 11.829 7.516 2.563) 14.247 19.404 ( 1.548 7.898 -11.682) 14.186 19.806 ( -6.022 -7.193 -8.505) 12.663 20.118 ( -1.522 -4.386 -18.004) 18.593 23.188 ( 1.311 13.378 15.852) 20.784 24.251 ( -18.892 -1.575 17.343) 25.694 25.375 ( 7.991 -2.461 5.783) 10.167 25.885 ( -2.901 -10.077 -7.513) 12.900 27.126 ( 1.068 2.853 -11.836) 12.221 27.771 ( 11.464 2.096 -15.591) 19.465 28.557 ( 4.626 -9.138 -3.798) 10.924 29.050 ( 0.233 -5.807 -2.964) 6.524 29.804 ( 1.236 3.019 -13.555) 13.942 32.591 ( -11.198 10.568 31.208) 34.800 ======================= Grid point 169 (80/125) ======================= q-point: ( 0.36 -0.14 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.144 ( 16.567 -16.567 8.491) 24.920 4.299 ( 17.726 -17.726 4.742) 25.514 5.020 ( -0.025 0.025 23.321) 23.321 5.243 ( -7.622 7.622 3.858) 11.449 6.257 ( -0.871 0.871 -9.981) 10.057 6.688 ( 2.734 -2.734 10.420) 11.114 7.706 ( -8.255 8.255 -17.288) 20.861 8.145 ( -14.874 14.874 -1.677) 21.102 8.490 ( -6.471 6.471 -21.297) 23.180 8.907 ( -7.683 7.683 -12.497) 16.560 9.298 ( 2.477 -2.477 -0.676) 3.568 10.230 ( 0.484 -0.484 8.440) 8.468 11.291 ( 10.647 -10.647 -13.520) 20.236 11.862 ( 0.543 -0.543 7.705) 7.743 13.437 ( -4.009 4.009 -2.562) 6.222 13.651 ( -0.271 0.271 -6.154) 6.165 13.816 ( -8.926 8.926 8.185) 15.044 13.906 ( -2.284 2.284 3.484) 4.751 14.751 ( 6.887 -6.887 11.330) 14.941 15.075 ( 6.667 -6.667 19.060) 21.264 17.670 ( 4.664 -4.664 14.202) 15.659 17.862 ( 7.838 -7.838 7.264) 13.253 18.875 ( 2.320 -2.320 -8.812) 9.403 19.277 ( 4.900 -4.900 -4.329) 8.170 19.887 ( -4.315 4.315 -14.688) 15.905 19.942 ( -1.769 1.769 -15.613) 15.812 23.408 ( -5.535 5.535 13.345) 15.471 23.963 ( -12.070 12.070 21.141) 27.172 25.461 ( 4.993 -4.993 -4.970) 8.635 25.719 ( 2.635 -2.635 0.630) 3.779 27.171 ( -0.180 0.180 -14.239) 14.241 27.925 ( 10.048 -10.048 -2.731) 14.470 28.495 ( 8.315 -8.315 -6.802) 13.585 28.991 ( 3.015 -3.015 -3.056) 5.246 29.856 ( -2.173 2.173 -17.262) 17.534 32.584 ( -14.722 14.722 29.874) 36.413 ======================= Grid point 176 (81/125) ======================= q-point: ( 0.48 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -0.000 7.273 13.607) 15.429 4.877 ( -0.000 8.128 8.760) 11.950 5.392 ( -0.000 -21.866 11.817) 24.855 5.702 ( -0.000 -5.639 3.443) 6.607 5.934 ( 0.000 -1.607 -12.419) 12.523 6.755 ( -0.000 7.236 11.306) 13.423 7.189 ( 0.000 14.288 -10.992) 18.027 7.573 ( 0.000 14.800 -10.093) 17.914 8.522 ( 0.000 11.013 -12.060) 16.332 9.094 ( 0.000 -6.785 -11.214) 13.107 9.268 ( 0.000 -4.293 -6.774) 8.020 9.720 ( 0.000 8.914 -0.335) 8.920 11.048 ( -0.000 -0.595 1.542) 1.653 12.325 ( -0.000 -9.066 4.185) 9.986 13.149 ( 0.000 5.980 -2.620) 6.529 13.688 ( -0.000 6.337 5.779) 8.576 13.895 ( -0.000 -1.506 -0.034) 1.507 14.535 ( -0.000 -9.831 4.065) 10.638 14.862 ( -0.000 -2.648 10.558) 10.885 15.313 ( -0.000 -9.008 6.519) 11.119 17.842 ( -0.000 -0.001 20.869) 20.869 17.999 ( 0.000 0.277 -7.359) 7.364 18.604 ( -0.000 -1.373 10.604) 10.692 19.196 ( 0.000 4.065 -4.897) 6.364 19.661 ( 0.000 -11.693 -11.032) 16.076 19.718 ( 0.000 -0.948 -21.238) 21.259 23.512 ( -0.000 11.664 15.449) 19.357 24.694 ( -0.000 -0.483 6.275) 6.294 25.557 ( -0.000 -2.291 14.634) 14.813 25.811 ( -0.000 -7.081 -1.458) 7.229 26.918 ( 0.000 3.424 -10.973) 11.494 27.126 ( 0.000 10.049 -26.838) 28.658 28.467 ( -0.000 -7.984 -0.500) 8.000 29.068 ( -0.000 -2.566 1.642) 3.047 29.549 ( 0.000 -6.508 -7.374) 9.835 33.245 ( -0.000 9.067 20.922) 22.802 ======================= Grid point 177 (82/125) ======================= q-point: (-0.52 -0.15 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.653 ( 28.427 4.962 8.613) 30.115 4.440 ( -2.274 -37.687 3.345) 37.904 5.340 ( -3.536 11.760 6.504) 13.896 5.574 ( -6.104 -0.857 12.999) 14.387 5.973 ( 4.657 -1.196 -12.210) 13.123 6.798 ( 5.552 -6.598 8.625) 12.196 7.339 ( 0.591 2.392 -23.452) 23.581 8.040 ( 1.875 25.570 -9.716) 27.418 8.589 ( -21.007 0.400 -15.606) 26.173 8.799 ( -6.604 8.478 -7.826) 13.294 9.225 ( 2.711 -5.873 -2.114) 6.805 10.090 ( 14.115 4.055 -3.702) 15.145 10.891 ( 2.473 -13.931 -9.619) 17.109 12.211 ( -5.158 2.908 16.700) 17.718 13.339 ( 4.203 8.732 -4.891) 10.855 13.658 ( -10.383 -3.559 -2.646) 11.290 13.949 ( 3.673 7.901 6.785) 11.043 14.274 ( -10.390 -2.588 7.019) 12.803 14.856 ( 3.334 -3.419 11.014) 12.005 15.217 ( 8.386 -9.645 11.067) 16.906 17.857 ( 2.478 -0.837 10.202) 10.532 17.982 ( 3.021 -5.521 10.453) 12.202 18.639 ( 9.036 -4.518 4.991) 11.269 19.175 ( -0.758 -5.725 -4.528) 7.339 19.560 ( -0.147 3.691 -15.662) 16.092 19.666 ( -3.464 -1.181 -20.326) 20.652 23.729 ( -0.681 8.236 11.226) 13.940 24.645 ( -12.043 9.401 15.398) 21.692 25.431 ( -4.962 -1.436 6.413) 8.234 25.726 ( 0.519 -1.877 2.167) 2.914 26.888 ( -4.395 2.982 -17.345) 18.140 27.460 ( 16.223 -2.706 -14.837) 22.151 28.297 ( 5.388 -12.595 1.328) 13.763 29.003 ( 0.832 -3.319 6.133) 7.023 29.507 ( 1.973 -1.730 -16.262) 16.473 33.366 ( -10.231 13.212 21.485) 27.218 ======================= Grid point 184 (83/125) ======================= q-point: (-0.40 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( 0.000 1.365 -3.246) 3.522 4.393 ( -0.000 -33.504 -10.691) 35.168 5.485 ( -0.000 1.711 2.460) 2.996 5.706 ( 0.000 -1.598 -4.428) 4.707 5.929 ( -0.000 6.593 13.806) 15.300 6.776 ( 0.000 -10.320 -5.879) 11.877 6.833 ( 0.000 -4.210 -24.009) 24.376 7.832 ( 0.000 19.593 -10.819) 22.382 8.355 ( 0.000 2.334 -18.780) 18.924 8.961 ( -0.000 0.381 4.024) 4.042 9.086 ( -0.000 -3.380 -1.469) 3.686 9.843 ( 0.000 6.852 -3.674) 7.774 10.686 ( 0.000 -17.690 -9.987) 20.315 12.634 ( -0.000 8.638 18.337) 20.269 13.197 ( 0.000 9.694 -3.704) 10.377 13.828 ( -0.000 -3.615 -0.775) 3.697 13.982 ( -0.000 5.672 7.845) 9.681 14.517 ( -0.000 -3.145 7.106) 7.771 15.039 ( -0.000 0.614 7.742) 7.767 15.287 ( -0.000 -7.600 7.493) 10.673 17.813 ( 0.000 -2.977 -7.681) 8.237 18.216 ( -0.000 -0.373 12.903) 12.908 18.687 ( 0.000 -5.690 -2.562) 6.240 19.140 ( -0.000 -5.521 4.043) 6.843 19.332 ( 0.000 -0.157 -12.284) 12.285 19.385 ( -0.000 -1.644 1.246) 2.063 23.825 ( 0.000 4.203 -3.345) 5.371 24.965 ( -0.000 14.397 7.508) 16.238 25.783 ( -0.000 -1.652 6.196) 6.413 25.797 ( -0.000 -0.960 11.403) 11.443 26.750 ( 0.000 2.082 -10.407) 10.613 26.786 ( 0.000 4.474 -19.888) 20.385 28.331 ( -0.000 -12.081 7.890) 14.429 29.054 ( 0.000 1.919 -8.024) 8.250 29.277 ( -0.000 -11.706 4.255) 12.455 33.816 ( -0.000 14.713 11.628) 18.753 ======================= Grid point 185 (84/125) ======================= q-point: (-0.40 -0.15 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.710 ( 11.834 -11.834 -7.767) 18.450 3.766 ( 14.470 -14.470 -6.472) 21.463 5.464 ( -7.433 7.433 -2.632) 10.837 5.753 ( 3.383 -3.383 -3.057) 5.678 6.007 ( -3.877 3.877 16.139) 17.045 6.637 ( 10.449 -10.449 -7.679) 16.653 6.790 ( 2.828 -2.828 -27.882) 28.168 8.112 ( -10.221 10.221 -20.419) 25.017 8.314 ( -2.137 2.137 -16.850) 17.119 8.864 ( -7.955 7.955 0.677) 11.271 9.131 ( 5.145 -5.145 3.430) 8.044 10.005 ( 3.096 -3.096 -5.873) 7.325 10.422 ( 7.873 -7.873 -9.238) 14.468 12.724 ( -5.825 5.825 20.484) 22.078 13.516 ( -5.148 5.148 1.329) 7.401 13.517 ( -6.457 6.457 -4.167) 10.037 14.121 ( 5.961 -5.961 10.515) 13.477 14.450 ( -4.591 4.591 4.484) 7.891 15.033 ( -0.438 0.438 8.223) 8.246 15.235 ( 8.590 -8.590 9.517) 15.432 17.789 ( -0.121 0.121 -8.913) 8.915 18.272 ( 3.185 -3.185 12.665) 13.442 18.523 ( 11.082 -11.082 2.982) 15.953 19.123 ( -2.911 2.911 -1.481) 4.374 19.315 ( -0.497 0.497 -7.811) 7.842 19.371 ( 0.910 -0.910 -3.097) 3.354 23.868 ( -0.944 0.944 -5.209) 5.377 25.171 ( -12.486 12.486 7.688) 19.260 25.683 ( -4.805 4.805 14.762) 16.251 25.798 ( -0.845 0.845 4.996) 5.137 26.597 ( -6.279 6.279 -17.625) 19.735 27.061 ( 9.941 -9.941 -12.122) 18.563 28.169 ( 10.524 -10.524 10.292) 18.095 29.077 ( -0.936 0.936 -6.764) 6.892 29.159 ( 5.624 -5.624 0.256) 7.958 33.967 ( -10.550 10.550 13.525) 20.138 ======================= Grid point 189 (85/125) ======================= q-point: ( 0.60 -0.15 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( -12.858 12.858 17.163) 25.005 5.010 ( -9.524 9.524 0.696) 13.487 5.374 ( -4.652 4.652 -9.686) 11.709 5.603 ( 1.953 -1.953 10.237) 10.603 6.272 ( -5.068 5.068 -6.418) 9.621 6.770 ( 0.694 -0.694 9.143) 9.196 7.085 ( -8.197 8.197 14.964) 18.929 7.456 ( -2.075 2.075 -9.219) 9.675 7.829 ( 9.904 -9.904 5.724) 15.131 8.004 ( 9.734 -9.734 -13.825) 19.510 10.080 ( -8.550 8.550 -7.424) 14.189 10.172 ( -4.356 4.356 11.205) 12.787 10.954 ( -11.395 11.395 5.670) 17.083 12.139 ( 15.366 -15.366 -10.551) 24.157 13.273 ( -1.945 1.945 6.482) 7.042 13.353 ( 0.993 -0.993 -2.558) 2.918 13.902 ( 4.195 -4.195 0.543) 5.958 14.115 ( 7.213 -7.213 -1.320) 10.285 15.426 ( -4.887 4.887 -2.371) 7.307 15.689 ( 1.341 -1.341 1.390) 2.352 18.377 ( -9.470 9.470 6.501) 14.887 18.525 ( -1.154 1.154 16.139) 16.221 18.621 ( -5.160 5.160 4.044) 8.343 19.016 ( -2.906 2.906 -6.209) 7.446 19.413 ( 5.618 -5.618 -16.161) 18.008 19.537 ( 4.537 -4.537 -8.544) 10.685 23.653 ( -2.638 2.638 11.416) 12.010 24.213 ( 10.740 -10.740 5.253) 16.071 25.378 ( 4.168 -4.168 -10.650) 12.173 25.502 ( 5.288 -5.288 -1.898) 7.715 26.637 ( -9.379 9.379 -5.519) 14.366 27.190 ( 2.596 -2.596 -1.690) 4.042 28.971 ( -2.391 2.391 6.711) 7.514 29.005 ( -2.688 2.688 -5.412) 6.614 30.506 ( -21.918 21.918 -3.362) 31.178 32.478 ( 24.656 -24.656 7.284) 35.621 ======================= Grid point 192 (86/125) ======================= q-point: (-0.28 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 0.000 -1.929 -22.763) 22.844 3.414 ( 0.000 -26.563 -23.353) 35.369 5.556 ( 0.000 6.787 -6.045) 9.089 5.716 ( -0.000 0.201 5.318) 5.321 6.158 ( 0.000 -16.998 -21.592) 27.480 6.177 ( 0.000 -7.109 -27.395) 28.302 6.263 ( -0.000 5.350 3.293) 6.282 7.819 ( 0.000 7.884 -15.617) 17.495 7.952 ( 0.000 -4.419 -16.196) 16.788 9.103 ( -0.000 -0.092 5.074) 5.075 9.109 ( -0.000 -0.087 7.017) 7.018 9.829 ( 0.000 1.848 -6.498) 6.756 10.196 ( 0.000 -10.621 -7.243) 12.856 13.184 ( -0.000 6.955 17.997) 19.295 13.459 ( 0.000 18.864 -0.319) 18.866 13.745 ( -0.000 -2.559 -0.821) 2.687 14.303 ( -0.000 1.006 19.914) 19.939 14.620 ( -0.000 -0.930 7.194) 7.254 15.158 ( -0.000 1.152 1.604) 1.975 15.282 ( -0.000 -9.088 6.794) 11.347 17.553 ( 0.000 -2.184 -12.247) 12.440 18.194 ( 0.000 -0.394 -13.316) 13.322 18.300 ( 0.000 -8.570 -15.894) 18.057 19.293 ( -0.000 3.385 12.929) 13.365 19.373 ( -0.000 0.278 15.233) 15.235 19.534 ( -0.000 -6.521 17.343) 18.529 23.637 ( 0.000 0.635 -16.991) 17.003 25.313 ( 0.000 12.858 -5.795) 14.103 25.916 ( 0.000 0.529 -1.263) 1.369 25.927 ( -0.000 -0.279 3.608) 3.619 26.589 ( 0.000 4.653 -4.817) 6.698 26.640 ( 0.000 0.149 -0.615) 0.633 28.343 ( -0.000 -11.477 18.145) 21.470 28.804 ( 0.000 -1.248 -11.217) 11.286 29.306 ( -0.000 -5.354 10.864) 12.111 34.287 ( 0.000 13.877 5.775) 15.031 ======================= Grid point 196 (87/125) ======================= q-point: (-0.28 -0.16 0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.784 ( 11.193 12.017 -11.528) 20.064 4.983 ( -5.946 10.399 6.238) 13.506 5.389 ( -7.494 1.066 -3.930) 8.529 5.728 ( 9.329 -3.783 0.660) 10.088 6.276 ( -7.206 11.467 -1.600) 13.637 6.772 ( 4.312 -6.189 -3.212) 8.198 7.246 ( 7.704 6.413 -7.046) 12.253 7.475 ( -1.246 9.285 11.057) 14.492 7.684 ( -2.877 -17.075 -3.372) 17.641 7.905 ( 0.077 -11.760 10.253) 15.602 10.078 ( -6.799 11.611 -8.001) 15.654 10.285 ( 5.946 5.020 1.166) 7.868 11.186 ( 7.107 11.759 1.602) 13.833 11.877 ( -7.256 -17.541 3.881) 19.376 13.303 ( 0.770 1.088 -2.987) 3.271 13.362 ( 1.622 -3.131 2.296) 4.208 13.828 ( -1.173 2.412 -1.946) 3.314 14.037 ( -1.794 -10.452 -2.133) 10.817 15.458 ( -2.431 7.135 -1.161) 7.627 15.676 ( 0.950 -2.229 -0.618) 2.501 18.376 ( -6.766 8.698 -15.568) 19.074 18.586 ( 3.108 0.462 -19.628) 19.878 18.783 ( 10.654 10.974 15.324) 21.651 19.090 ( 1.247 -1.802 13.430) 13.608 19.305 ( -3.346 -3.950 6.661) 8.437 19.430 ( -5.734 -5.481 2.230) 8.240 23.711 ( 2.776 4.885 -7.643) 9.486 24.086 ( -1.309 -14.585 -6.583) 16.055 25.305 ( -2.898 -0.612 5.696) 6.420 25.461 ( 0.940 -7.449 4.262) 8.633 26.752 ( 0.294 11.462 6.709) 13.285 27.172 ( 2.811 -6.932 6.517) 9.921 28.967 ( -2.069 5.265 -4.012) 6.935 29.055 ( 1.602 0.434 1.564) 2.281 30.746 ( -3.196 33.945 -2.154) 34.164 32.194 ( 1.449 -34.771 -5.341) 35.209 ======================= Grid point 200 (88/125) ======================= q-point: (-0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 0.000 0.000 -34.564) 34.564 2.519 ( 0.000 0.000 -34.564) 34.564 4.884 ( 0.000 0.000 -60.452) 60.452 5.515 ( 0.000 0.000 -27.165) 27.165 5.871 ( -0.000 -0.000 6.924) 6.924 5.871 ( -0.000 -0.000 6.924) 6.924 6.284 ( 0.000 0.000 -8.071) 8.071 7.662 ( 0.000 0.000 -4.261) 4.261 7.662 ( 0.000 0.000 -4.261) 4.261 9.198 ( -0.000 -0.000 2.921) 2.921 9.198 ( -0.000 -0.000 2.921) 2.921 9.693 ( 0.000 0.000 -7.224) 7.224 9.983 ( 0.000 0.000 -4.526) 4.526 13.587 ( -0.000 -0.000 14.202) 14.202 13.700 ( 0.000 0.000 -0.843) 0.843 13.700 ( 0.000 0.000 -0.843) 0.843 14.845 ( -0.000 -0.000 30.999) 30.999 14.915 ( -0.000 -0.000 17.455) 17.455 15.142 ( 0.000 0.000 -4.145) 4.145 15.142 ( 0.000 0.000 -4.145) 4.145 17.283 ( 0.000 0.000 -11.968) 11.968 17.832 ( 0.000 0.000 -19.184) 19.184 17.832 ( 0.000 0.000 -19.184) 19.184 19.729 ( -0.000 -0.000 17.368) 17.368 19.787 ( -0.000 -0.000 22.377) 22.377 19.787 ( -0.000 -0.000 22.377) 22.377 23.246 ( 0.000 0.000 -20.884) 20.884 25.224 ( 0.000 0.000 -16.149) 16.149 25.757 ( 0.000 0.000 -13.103) 13.103 25.757 ( 0.000 0.000 -13.103) 13.103 26.743 ( -0.000 -0.000 8.918) 8.918 26.743 ( -0.000 -0.000 8.918) 8.918 28.640 ( 0.000 0.000 -3.631) 3.631 28.656 ( -0.000 -0.000 23.573) 23.573 29.449 ( -0.000 -0.000 8.463) 8.463 34.546 ( -0.000 -0.000 2.696) 2.696 ======================= Grid point 203 (89/125) ======================= q-point: (-0.17 -0.17 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.188 ( 17.649 17.649 -17.879) 30.702 4.924 ( 19.550 19.550 -7.542) 28.658 5.402 ( -9.286 -9.286 -9.383) 16.140 5.519 ( 5.896 5.896 3.745) 9.140 6.362 ( 2.890 2.890 2.730) 4.916 6.525 ( 0.050 0.050 -15.799) 15.800 6.791 ( 14.632 14.632 -12.201) 24.022 7.745 ( -7.948 -7.948 -2.069) 11.429 7.747 ( 4.423 4.423 19.259) 20.250 8.326 ( -9.552 -9.552 16.871) 21.613 9.912 ( 4.556 4.556 -13.878) 15.301 10.141 ( 1.027 1.027 -2.192) 2.629 10.947 ( 16.424 16.424 5.797) 23.940 12.362 ( -16.768 -16.768 11.336) 26.285 13.131 ( 3.760 3.760 -7.299) 9.030 13.421 ( -1.923 -1.923 4.337) 5.119 13.862 ( -4.626 -4.626 -2.856) 7.139 14.088 ( -9.891 -9.891 -3.876) 14.515 15.423 ( 2.893 2.893 -3.779) 5.570 15.634 ( -2.555 -2.555 -5.007) 6.175 17.984 ( 5.091 5.091 -21.110) 22.304 18.261 ( 0.867 0.867 -8.232) 8.323 18.822 ( 15.910 15.910 13.335) 26.155 19.051 ( 1.396 1.396 -0.332) 2.002 19.674 ( -9.173 -9.173 4.610) 13.768 19.850 ( -7.151 -7.151 23.454) 25.542 23.337 ( 4.655 4.655 -18.293) 19.442 24.002 ( -11.201 -11.201 -14.279) 21.327 25.570 ( -2.998 -2.998 3.835) 5.717 25.662 ( -6.052 -6.052 16.103) 18.236 26.903 ( 11.044 11.044 20.939) 26.123 27.316 ( 1.381 1.381 9.378) 9.579 28.839 ( 3.840 3.840 -4.945) 7.344 29.103 ( -1.025 -1.025 4.201) 4.444 30.528 ( 17.288 17.288 -1.521) 24.496 32.204 ( -23.401 -23.401 -20.006) 38.671 ======================= Grid point 204 (90/125) ======================= q-point: (-0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.829 ( -13.877 -13.877 -8.595) 21.425 4.829 ( 13.877 13.877 -8.595) 21.425 5.580 ( -4.617 -4.617 -0.714) 6.568 5.580 ( 4.617 4.617 -0.714) 6.568 6.440 ( -1.005 -1.005 -8.239) 8.361 6.440 ( 1.005 1.005 -8.239) 8.361 7.324 ( -11.888 -11.888 -3.483) 17.170 7.324 ( 11.888 11.888 -3.483) 17.170 7.989 ( -7.134 -7.134 19.771) 22.196 7.989 ( 7.134 7.134 19.771) 22.196 10.082 ( -2.470 -2.470 -12.015) 12.512 10.082 ( 2.470 2.470 -12.015) 12.512 11.654 ( -17.999 -17.999 9.948) 27.329 11.654 ( 17.999 17.999 9.948) 27.329 13.309 ( -3.988 -3.988 -0.947) 5.719 13.309 ( 3.988 3.988 -0.947) 5.719 13.813 ( -2.662 -2.662 -4.759) 6.068 13.813 ( 2.662 2.662 -4.759) 6.068 15.530 ( -2.135 -2.135 -6.627) 7.282 15.530 ( 2.135 2.135 -6.627) 7.282 18.171 ( -4.133 -4.133 -13.258) 14.489 18.171 ( 4.133 4.133 -13.258) 14.489 19.275 ( -7.058 -7.058 0.689) 10.006 19.275 ( 7.058 7.058 0.689) 10.006 19.444 ( -11.576 -11.576 18.085) 24.394 19.444 ( 11.576 11.576 18.085) 24.394 23.603 ( -8.309 -8.309 -15.635) 19.559 23.603 ( 8.309 8.309 -15.635) 19.559 25.520 ( -0.668 -0.668 10.725) 10.767 25.520 ( 0.668 0.668 10.725) 10.767 27.239 ( -4.496 -4.496 17.911) 19.006 27.239 ( 4.496 4.496 17.911) 19.006 29.000 ( -3.576 -3.576 -2.051) 5.457 29.000 ( 3.576 3.576 -2.051) 5.457 31.305 ( -19.511 -19.511 -12.140) 30.145 31.305 ( 19.511 19.511 -12.140) 30.145 ======================= Grid point 226 (91/125) ======================= q-point: ( 0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 0.000 24.225 -0.000) 24.225 2.673 ( 0.000 39.735 -0.000) 39.735 4.527 ( 0.000 59.949 -0.000) 59.949 5.486 ( -0.000 -5.820 0.000) 5.820 5.798 ( 0.000 35.173 -0.000) 35.173 6.205 ( -0.000 -5.505 0.000) 5.505 6.228 ( 0.000 5.854 -0.000) 5.854 8.507 ( 0.000 5.899 -0.000) 5.899 8.690 ( 0.000 10.575 -0.000) 10.575 8.841 ( 0.000 2.274 -0.000) 2.274 9.482 ( 0.000 0.480 -0.000) 0.480 10.175 ( 0.000 10.325 -0.000) 10.325 10.734 ( -0.000 -20.158 0.000) 20.158 12.728 ( 0.000 3.391 -0.000) 3.391 13.387 ( -0.000 -18.616 0.000) 18.616 13.752 ( 0.000 3.583 -0.000) 3.583 13.805 ( 0.000 1.962 -0.000) 1.962 14.610 ( -0.000 -18.990 0.000) 18.990 14.699 ( -0.000 -5.891 0.000) 5.891 15.406 ( -0.000 -19.279 0.000) 19.279 17.089 ( -0.000 -1.222 0.000) 1.222 17.605 ( 0.000 23.617 -0.000) 23.617 18.665 ( 0.000 27.906 -0.000) 27.906 19.279 ( -0.000 -28.982 0.000) 28.982 20.591 ( -0.000 -1.451 0.000) 1.451 20.785 ( -0.000 -11.212 0.000) 11.212 22.364 ( 0.000 7.467 -0.000) 7.467 24.167 ( -0.000 -2.974 0.000) 2.974 25.067 ( -0.000 -2.514 0.000) 2.514 26.749 ( -0.000 -10.340 0.000) 10.340 27.167 ( 0.000 2.223 -0.000) 2.223 28.697 ( -0.000 -2.167 0.000) 2.167 28.765 ( -0.000 -21.631 0.000) 21.631 29.598 ( -0.000 -3.767 0.000) 3.767 29.623 ( 0.000 26.585 -0.000) 26.585 31.116 ( 0.000 4.640 -0.000) 4.640 ======================= Grid point 227 (92/125) ======================= q-point: ( 0.19 -0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 45.350 15.763 0.000) 48.012 3.498 ( 7.657 32.549 -0.000) 33.437 5.235 ( -6.420 -4.162 -0.000) 7.651 5.635 ( 0.945 38.890 -0.000) 38.902 5.874 ( -2.527 -24.877 0.000) 25.005 6.367 ( 3.352 4.464 -0.000) 5.582 6.618 ( 5.667 36.672 -0.000) 37.107 8.676 ( -20.221 2.314 -0.000) 20.353 8.713 ( 3.420 10.956 -0.000) 11.477 8.947 ( 1.800 12.619 -0.000) 12.746 9.460 ( -2.174 -0.971 -0.000) 2.381 9.965 ( -14.746 -6.310 -0.000) 16.039 10.925 ( 28.930 -1.054 0.000) 28.949 12.845 ( -2.499 -0.915 -0.000) 2.662 12.929 ( -1.846 -12.177 0.000) 12.316 13.850 ( 1.164 5.156 -0.000) 5.286 13.886 ( 3.133 3.376 -0.000) 4.606 14.114 ( -12.583 -12.769 0.000) 17.927 14.582 ( 0.576 -10.842 0.000) 10.857 14.918 ( -11.007 -15.703 0.000) 19.177 17.133 ( 7.599 1.995 0.000) 7.856 18.250 ( 15.660 19.922 -0.000) 25.340 18.664 ( -1.853 -29.791 0.000) 29.848 19.271 ( 5.124 26.446 -0.000) 26.938 20.228 ( -17.035 -9.389 -0.000) 19.451 20.684 ( 3.816 -10.902 0.000) 11.551 22.570 ( 1.783 11.367 -0.000) 11.506 23.839 ( -20.352 -3.714 -0.000) 20.688 25.230 ( 16.172 -1.400 0.000) 16.233 26.433 ( -6.479 -13.351 0.000) 14.840 27.302 ( 7.405 3.230 0.000) 8.079 28.360 ( 2.205 -22.045 0.000) 22.155 28.735 ( 8.427 -1.964 0.000) 8.653 29.489 ( 2.109 -10.507 0.000) 10.716 30.177 ( -1.204 28.041 -0.000) 28.067 31.098 ( -12.747 8.059 -0.000) 15.081 ======================= Grid point 228 (93/125) ======================= q-point: ( 0.19 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 49.827 8.420 0.000) 50.533 4.223 ( 8.790 20.926 -0.000) 22.697 4.884 ( -12.754 -8.017 -0.000) 15.064 5.122 ( -4.482 -40.417 0.000) 40.665 6.263 ( -0.008 20.023 -0.000) 20.023 6.454 ( -2.748 2.101 -0.000) 3.460 7.458 ( 4.802 34.735 -0.000) 35.065 8.172 ( -29.933 -1.113 -0.000) 29.954 9.047 ( 5.849 11.541 -0.000) 12.939 9.242 ( 2.587 12.076 -0.000) 12.350 9.335 ( -6.414 -3.557 -0.000) 7.335 9.564 ( -11.623 -6.578 -0.000) 13.356 11.564 ( 28.123 6.023 0.000) 28.760 12.257 ( -7.435 -26.469 0.000) 27.493 13.186 ( 2.757 16.057 -0.000) 16.292 13.617 ( -16.404 -7.175 -0.000) 17.905 14.039 ( 6.474 6.845 -0.000) 9.422 14.066 ( 5.800 5.588 0.000) 8.054 14.322 ( -3.502 -10.604 0.000) 11.168 14.409 ( -12.078 -10.493 -0.000) 15.999 17.479 ( 20.403 3.225 0.000) 20.657 18.033 ( -2.976 -27.420 0.000) 27.581 18.965 ( 16.417 18.489 -0.000) 24.726 19.637 ( -18.055 -13.707 -0.000) 22.668 19.895 ( 9.512 19.965 -0.000) 22.115 20.407 ( -8.854 -11.492 0.000) 14.508 22.896 ( 3.301 16.014 -0.000) 16.351 23.338 ( -20.225 -4.030 -0.000) 20.622 25.579 ( 17.159 2.334 0.000) 17.317 26.001 ( -6.150 -15.900 0.000) 17.048 27.580 ( 13.765 2.985 0.000) 14.085 27.956 ( -0.661 -19.331 0.000) 19.342 28.949 ( 14.758 -0.752 0.000) 14.777 29.250 ( 1.008 -15.651 0.000) 15.683 30.650 ( -5.397 24.836 -0.000) 25.416 30.948 ( -19.539 8.948 -0.000) 21.491 ======================= Grid point 234 (94/125) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -0.000 17.936 13.451) 22.419 3.615 ( -0.000 31.757 17.952) 36.480 5.411 ( -0.000 -7.068 9.061) 11.491 5.706 ( 0.000 38.020 8.787) 39.023 5.922 ( -0.000 -21.872 1.976) 21.961 6.290 ( 0.000 4.414 -3.864) 5.866 6.585 ( 0.000 36.898 2.593) 36.989 8.344 ( 0.000 6.813 -28.901) 29.693 8.637 ( 0.000 10.786 -4.247) 11.591 9.327 ( -0.000 8.397 13.936) 16.270 9.488 ( -0.000 -0.517 0.152) 0.539 10.079 ( 0.000 -14.971 -21.222) 25.971 10.483 ( -0.000 12.707 7.859) 14.941 12.887 ( 0.000 9.737 2.134) 9.968 12.900 ( -0.000 -23.700 -5.128) 24.248 13.731 ( 0.000 -2.262 -5.754) 6.183 13.858 ( 0.000 2.332 0.641) 2.418 14.475 ( -0.000 -11.687 13.569) 17.908 14.613 ( -0.000 -7.471 5.104) 9.048 15.144 ( -0.000 -16.799 10.197) 19.652 17.169 ( -0.000 -0.658 9.819) 9.841 18.013 ( 0.000 21.901 -4.535) 22.366 18.672 ( -0.000 -24.835 -1.281) 24.868 19.188 ( 0.000 21.518 -2.970) 21.723 20.389 ( 0.000 -16.861 -8.752) 18.998 20.450 ( 0.000 -1.556 -10.528) 10.642 22.653 ( -0.000 10.766 9.934) 14.649 24.252 ( -0.000 -4.064 13.550) 14.146 25.098 ( -0.000 -2.712 8.064) 8.508 26.396 ( 0.000 -14.024 -10.025) 17.238 27.178 ( 0.000 3.469 -4.544) 5.717 28.056 ( 0.000 -1.922 -24.147) 24.224 28.695 ( -0.000 -6.883 0.741) 6.922 29.326 ( 0.000 -5.455 -11.031) 12.306 29.911 ( 0.000 13.705 -13.074) 18.941 31.814 ( -0.000 4.845 41.300) 41.584 ======================= Grid point 235 (95/125) ======================= q-point: ( 0.31 -0.19 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 37.725 12.070 7.842) 40.378 4.245 ( 5.323 23.638 14.912) 28.451 5.065 ( -5.518 -27.218 0.397) 27.774 5.363 ( -5.770 -18.855 10.981) 22.569 6.287 ( -1.216 16.977 0.896) 17.044 6.421 ( 4.404 4.772 -0.540) 6.516 7.370 ( 2.485 36.509 -1.118) 36.611 8.423 ( -8.377 6.315 -23.458) 25.697 8.905 ( 2.399 12.124 -5.668) 13.597 9.157 ( -20.788 1.965 -6.173) 21.773 9.421 ( -3.013 -1.973 -1.476) 3.892 9.932 ( 2.664 -2.804 9.894) 10.624 10.972 ( 21.594 9.169 -1.052) 23.483 12.337 ( -5.375 -25.874 -4.143) 26.749 13.175 ( 1.938 15.765 2.322) 16.053 13.701 ( -1.269 -0.334 -8.465) 8.566 13.880 ( -1.334 1.206 -4.085) 4.463 14.142 ( -11.798 -4.908 6.712) 14.434 14.529 ( 4.202 -7.946 11.680) 14.739 14.804 ( -3.115 -11.476 15.434) 19.484 17.246 ( 8.774 0.999 8.462) 12.231 18.115 ( -1.317 -26.289 3.610) 26.569 18.572 ( 13.632 17.451 -5.637) 22.851 19.638 ( 1.461 12.778 -10.544) 16.631 19.927 ( -8.314 -9.641 -3.065) 13.094 20.409 ( -1.907 -5.289 -10.190) 11.638 22.932 ( 1.556 15.134 8.648) 17.500 23.918 ( -20.512 -2.785 13.806) 24.882 25.259 ( 16.104 -1.349 4.852) 16.873 26.040 ( -3.840 -16.192 -6.571) 17.891 27.306 ( 4.913 3.071 -6.201) 8.486 27.950 ( 3.788 -11.685 -2.327) 12.502 28.642 ( 7.418 -5.208 -4.574) 10.153 29.174 ( 1.506 -10.456 -6.234) 12.266 30.216 ( -3.748 16.956 -27.905) 32.867 31.878 ( -9.968 11.900 38.021) 41.068 ======================= Grid point 236 (96/125) ======================= q-point: ( 0.31 -0.19 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.022 ( 17.318 -17.318 2.675) 24.637 4.207 ( 22.350 -22.350 6.129) 32.196 4.673 ( -4.357 4.357 7.520) 9.722 5.042 ( -4.739 4.739 14.690) 16.146 6.417 ( -2.876 2.876 -5.682) 6.987 6.546 ( -0.643 0.643 3.784) 3.892 8.004 ( -13.988 13.988 -11.323) 22.793 8.178 ( -16.599 16.599 -0.912) 23.493 8.941 ( -3.182 3.182 -23.789) 24.211 9.125 ( -4.730 4.730 -8.783) 11.040 9.313 ( -1.140 1.140 -0.047) 1.613 9.937 ( -2.507 2.507 19.974) 20.287 11.541 ( 11.444 -11.444 -10.545) 19.317 11.768 ( 7.033 -7.033 2.699) 10.306 13.483 ( -5.355 5.355 -1.868) 7.800 13.610 ( -7.552 7.552 6.094) 12.296 13.877 ( -0.370 0.370 -10.965) 10.978 13.928 ( -2.118 2.118 -6.686) 7.326 14.486 ( 4.588 -4.588 14.794) 16.154 14.643 ( 2.922 -2.922 22.560) 22.936 17.495 ( 7.405 -7.405 3.019) 10.899 17.684 ( 10.720 -10.720 9.131) 17.698 19.112 ( 0.074 -0.074 -12.221) 12.222 19.341 ( 4.447 -4.447 -1.351) 6.433 20.128 ( -4.683 4.683 -8.831) 11.039 20.178 ( -2.553 2.553 -7.276) 8.122 23.218 ( -6.907 6.907 4.120) 10.601 23.554 ( -10.856 10.856 18.263) 23.859 25.556 ( 8.511 -8.511 -4.209) 12.751 25.689 ( 6.501 -6.501 2.266) 9.469 27.417 ( 2.235 -2.235 -10.741) 11.196 27.835 ( 9.118 -9.118 9.068) 15.764 28.703 ( 7.128 -7.128 -12.406) 15.985 29.048 ( 7.217 -7.217 0.505) 10.218 30.358 ( -11.042 11.042 -32.437) 36.000 31.897 ( -13.828 13.828 37.374) 42.181 ======================= Grid point 243 (97/125) ======================= q-point: ( 0.42 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( -0.000 10.981 16.212) 19.581 4.564 ( -0.000 21.998 19.654) 29.499 5.190 ( -0.000 -33.479 7.041) 34.211 5.626 ( -0.000 -7.381 6.156) 9.611 6.184 ( 0.000 0.292 -11.177) 11.181 6.489 ( -0.000 12.760 12.667) 17.980 7.315 ( 0.000 31.590 -2.574) 31.694 7.930 ( 0.000 8.064 -24.259) 25.564 8.739 ( 0.000 12.725 -8.930) 15.546 9.393 ( 0.000 -2.962 -4.657) 5.520 9.416 ( 0.000 -9.395 -19.203) 21.378 9.695 ( 0.000 9.652 3.513) 10.272 10.927 ( -0.000 8.550 9.426) 12.726 12.318 ( -0.000 -21.158 -2.806) 21.343 13.180 ( 0.000 12.737 0.148) 12.738 13.612 ( 0.000 1.824 0.278) 1.845 13.894 ( -0.000 -0.246 -0.019) 0.246 14.454 ( -0.000 -9.645 4.694) 10.726 14.637 ( -0.000 -5.417 10.830) 12.109 15.112 ( -0.000 -12.180 13.131) 17.910 17.445 ( -0.000 -0.082 17.524) 17.525 18.159 ( 0.000 -7.794 -5.472) 9.522 18.380 ( -0.000 2.141 6.751) 7.082 19.388 ( 0.000 10.624 -11.756) 15.845 19.876 ( 0.000 -12.228 -9.559) 15.521 20.125 ( 0.000 -1.303 -18.065) 18.112 23.175 ( -0.000 13.774 16.038) 21.141 24.479 ( -0.000 -2.522 14.380) 14.599 25.267 ( -0.000 -2.459 13.276) 13.501 25.916 ( 0.000 -11.506 -7.968) 13.996 27.120 ( 0.000 3.955 -8.650) 9.511 27.639 ( 0.000 2.252 -21.350) 21.468 28.506 ( -0.000 -9.638 -2.465) 9.948 29.048 ( -0.000 -6.436 -2.255) 6.820 29.796 ( 0.000 5.786 -16.703) 17.677 32.706 ( -0.000 9.252 31.949) 33.261 ======================= Grid point 244 (98/125) ======================= q-point: ( 0.42 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.436 ( 31.696 7.072 11.291) 34.382 4.332 ( -3.215 -42.389 5.982) 42.930 4.974 ( 2.135 12.036 20.993) 24.293 5.466 ( -10.533 2.064 6.720) 12.663 6.232 ( 3.105 0.496 -12.119) 12.520 6.601 ( 4.204 -4.073 7.938) 9.863 7.798 ( -2.380 13.702 -20.085) 24.430 8.233 ( 1.616 22.648 -11.611) 25.503 8.867 ( -21.647 -5.278 -11.153) 24.916 9.006 ( -5.350 13.256 -11.592) 18.404 9.307 ( -2.550 -2.987 -4.901) 6.281 10.107 ( 12.597 2.561 3.160) 13.237 11.055 ( 8.648 -5.063 -6.070) 11.716 11.932 ( -4.341 -9.040 9.793) 14.016 13.443 ( 2.135 9.699 -4.838) 11.047 13.705 ( -3.866 2.743 -1.473) 4.964 13.844 ( -0.699 5.871 2.135) 6.286 14.140 ( -12.591 -4.730 5.867) 14.674 14.624 ( 5.689 -5.271 11.441) 13.821 14.950 ( 5.441 -9.163 15.358) 18.693 17.517 ( 6.975 0.542 16.355) 17.788 17.815 ( -0.109 -16.524 10.043) 19.336 18.699 ( 10.520 8.149 -8.904) 16.011 19.292 ( -3.109 -13.166 -7.208) 15.329 19.872 ( 0.910 9.156 -13.783) 16.572 20.057 ( -4.471 -2.021 -17.254) 17.938 23.459 ( -0.650 12.218 13.207) 18.003 24.280 ( -16.651 5.407 19.787) 26.420 25.329 ( 7.603 -2.245 4.653) 9.192 25.692 ( 0.546 -9.252 1.014) 9.323 27.184 ( -0.994 2.786 -11.643) 12.013 27.687 ( 11.058 -9.276 -5.977) 15.622 28.354 ( 5.466 -9.816 -6.960) 13.216 28.945 ( 1.449 -4.522 -0.351) 4.762 29.920 ( -3.112 7.284 -24.977) 26.203 32.831 ( -9.038 12.173 31.054) 34.558 ======================= Grid point 251 (99/125) ======================= q-point: (-0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.000 5.055 10.006) 11.210 4.463 ( -0.000 -37.608 2.513) 37.692 5.374 ( -0.000 12.233 15.098) 19.432 5.667 ( -0.000 0.702 5.495) 5.540 5.898 ( 0.000 -1.748 -13.300) 13.414 6.736 ( -0.000 -8.133 8.215) 11.560 7.333 ( 0.000 3.087 -25.251) 25.439 8.020 ( 0.000 25.745 -7.903) 26.931 8.771 ( 0.000 12.134 -19.355) 22.845 8.954 ( 0.000 -6.090 -5.014) 7.889 9.188 ( 0.000 -3.462 -7.711) 8.452 9.894 ( 0.000 7.648 -1.143) 7.732 10.875 ( 0.000 -14.991 -8.079) 17.029 12.266 ( -0.000 2.042 17.204) 17.325 13.290 ( 0.000 9.102 -5.578) 10.675 13.843 ( -0.000 -3.312 -0.834) 3.415 13.847 ( -0.000 6.267 5.817) 8.551 14.387 ( -0.000 -3.540 5.680) 6.693 14.824 ( -0.000 -1.149 12.929) 12.980 15.116 ( -0.000 -10.497 9.683) 14.281 17.842 ( -0.000 -0.068 20.764) 20.764 17.936 ( -0.000 -5.104 -1.724) 5.387 18.543 ( -0.000 -5.339 7.172) 8.941 19.185 ( 0.000 -5.604 -5.292) 7.708 19.563 ( 0.000 2.489 -14.925) 15.131 19.701 ( 0.000 -0.738 -20.804) 20.818 23.734 ( -0.000 9.169 11.167) 14.449 24.773 ( -0.000 9.161 11.442) 14.658 25.517 ( -0.000 -1.649 14.996) 15.086 25.702 ( -0.000 -4.104 2.115) 4.617 26.985 ( 0.000 3.082 -11.700) 12.099 27.217 ( 0.000 -0.714 -21.133) 21.145 28.243 ( -0.000 -13.710 0.904) 13.740 28.995 ( -0.000 -3.943 6.098) 7.261 29.493 ( 0.000 0.621 -18.877) 18.887 33.472 ( -0.000 12.200 22.231) 25.359 ======================= Grid point 252 (100/125) ======================= q-point: (-0.46 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.708 ( 12.044 -12.044 6.531) 18.242 3.753 ( 14.029 -14.029 6.408) 20.849 5.579 ( -9.408 9.408 -6.990) 15.029 5.581 ( -2.654 2.654 23.828) 24.122 5.932 ( 3.010 -3.010 -12.988) 13.667 6.612 ( 9.714 -9.714 8.153) 15.975 7.365 ( -0.600 0.600 -28.858) 28.870 8.516 ( -10.519 10.519 -17.664) 23.093 8.563 ( -8.243 8.243 -7.363) 13.788 8.983 ( -6.818 6.818 -11.845) 15.273 9.140 ( 2.017 -2.017 -4.838) 5.616 10.092 ( 4.877 -4.877 -2.459) 7.322 10.629 ( 8.917 -8.917 -11.047) 16.765 12.294 ( -3.911 3.911 21.573) 22.271 13.528 ( -4.407 4.407 -2.635) 6.767 13.607 ( -4.374 4.374 -4.744) 7.796 13.978 ( 4.232 -4.232 4.117) 7.265 14.334 ( -6.045 6.045 7.259) 11.215 14.812 ( 0.952 -0.952 12.934) 13.004 15.020 ( 9.168 -9.168 11.565) 17.374 17.831 ( 0.950 -0.950 7.858) 7.972 17.899 ( 2.814 -2.814 20.690) 21.069 18.483 ( 8.983 -8.983 -6.515) 14.277 19.102 ( 1.231 -1.231 1.381) 2.222 19.645 ( -1.750 1.750 -19.996) 20.148 19.654 ( -1.547 1.547 -19.086) 19.211 23.833 ( -2.605 2.605 7.717) 8.552 24.898 ( -13.251 13.251 18.078) 26.039 25.432 ( -1.953 1.953 9.808) 10.189 25.683 ( 3.115 -3.115 6.825) 8.123 26.953 ( -3.856 3.856 -16.465) 17.345 27.309 ( 10.914 -10.914 -11.135) 19.032 28.067 ( 8.686 -8.686 -0.634) 12.300 28.951 ( 1.767 -1.767 5.946) 6.449 29.515 ( -1.414 1.414 -22.809) 22.896 33.596 ( -8.704 8.704 23.100) 26.175 ======================= Grid point 259 (101/125) ======================= q-point: (-0.34 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.446 ( 0.000 0.590 -6.637) 6.664 3.744 ( -0.000 -26.853 -8.312) 28.110 5.585 ( 0.000 6.678 -2.593) 7.164 5.683 ( 0.000 -0.728 -3.616) 3.689 6.048 ( -0.000 4.519 16.955) 17.547 6.517 ( 0.000 -13.260 -8.583) 15.795 6.760 ( 0.000 -2.762 -29.676) 29.804 8.190 ( 0.000 14.571 -18.961) 23.913 8.366 ( 0.000 -0.953 -23.255) 23.274 8.996 ( -0.000 2.531 3.302) 4.160 9.038 ( -0.000 -1.290 0.105) 1.294 9.941 ( 0.000 2.191 -4.334) 4.856 10.360 ( 0.000 -12.590 -8.918) 15.428 12.785 ( -0.000 5.664 21.230) 21.972 13.472 ( 0.000 16.394 -1.117) 16.432 13.761 ( -0.000 -2.681 -0.754) 2.785 13.985 ( -0.000 -4.392 10.491) 11.373 14.501 ( -0.000 -0.687 4.948) 4.996 15.052 ( -0.000 0.536 8.874) 8.890 15.125 ( -0.000 -6.860 9.272) 11.534 17.805 ( 0.000 2.357 -11.729) 11.964 18.209 ( -0.000 -0.292 12.519) 12.523 18.416 ( -0.000 -16.286 6.101) 17.391 19.156 ( -0.000 3.796 1.992) 4.287 19.330 ( 0.000 -0.053 -11.650) 11.650 19.353 ( 0.000 -1.664 -3.625) 3.988 23.876 ( 0.000 1.140 -5.651) 5.765 25.301 ( 0.000 16.791 7.278) 18.301 25.779 ( -0.000 0.357 8.288) 8.296 25.782 ( -0.000 -0.500 12.334) 12.344 26.785 ( 0.000 1.286 -11.546) 11.618 26.817 ( 0.000 -0.769 -15.218) 15.238 28.054 ( -0.000 -13.425 9.499) 16.446 29.084 ( -0.000 -0.173 2.187) 2.194 29.109 ( 0.000 -3.732 -10.513) 11.156 34.079 ( -0.000 10.133 14.824) 17.957 ======================= Grid point 267 (102/125) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.122 ( 0.000 0.000 -24.059) 24.059 3.122 ( 0.000 0.000 -24.059) 24.059 5.721 ( -0.000 -0.000 6.416) 6.416 5.721 ( -0.000 -0.000 6.416) 6.416 5.879 ( 0.000 0.000 -36.883) 36.883 6.101 ( 0.000 0.000 -30.325) 30.325 6.329 ( -0.000 -0.000 4.490) 4.490 7.903 ( 0.000 0.000 -18.532) 18.532 7.903 ( 0.000 0.000 -18.532) 18.532 9.106 ( -0.000 -0.000 5.186) 5.186 9.106 ( -0.000 -0.000 5.186) 5.186 9.835 ( 0.000 0.000 -6.491) 6.491 10.093 ( 0.000 0.000 -6.305) 6.305 13.255 ( -0.000 -0.000 18.515) 18.515 13.717 ( 0.000 0.000 -0.779) 0.779 13.717 ( 0.000 0.000 -0.779) 0.779 14.261 ( -0.000 -0.000 25.184) 25.184 14.621 ( -0.000 -0.000 11.124) 11.124 15.170 ( -0.000 -0.000 1.844) 1.844 15.170 ( -0.000 -0.000 1.844) 1.844 17.542 ( 0.000 0.000 -14.028) 14.028 18.190 ( 0.000 0.000 -13.220) 13.220 18.190 ( 0.000 0.000 -13.220) 13.220 19.375 ( -0.000 -0.000 15.288) 15.288 19.375 ( -0.000 -0.000 15.288) 15.288 19.423 ( -0.000 -0.000 12.848) 12.848 23.642 ( 0.000 0.000 -17.005) 17.005 25.465 ( 0.000 0.000 -7.299) 7.299 25.921 ( 0.000 0.000 -0.647) 0.647 25.921 ( 0.000 0.000 -0.647) 0.647 26.642 ( 0.000 0.000 -1.262) 1.262 26.642 ( 0.000 0.000 -1.262) 1.262 28.201 ( -0.000 -0.000 20.061) 20.061 28.792 ( 0.000 0.000 -11.434) 11.434 29.254 ( -0.000 -0.000 10.246) 10.246 34.435 ( -0.000 -0.000 8.615) 8.615 ======================= Grid point 271 (103/125) ======================= q-point: (-0.22 -0.22 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 187 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.960 ( -7.444 -7.444 -3.674) 11.150 4.960 ( 7.444 7.444 -3.674) 11.150 5.587 ( -2.489 -2.489 -0.078) 3.521 5.587 ( 2.489 2.489 -0.078) 3.521 6.553 ( -7.494 -7.494 -2.820) 10.967 6.553 ( 7.494 7.494 -2.820) 10.967 7.405 ( -8.689 -8.689 -3.409) 12.752 7.405 ( 8.689 8.689 -3.409) 12.752 7.680 ( -7.230 -7.230 9.320) 13.835 7.680 ( 7.230 7.230 9.320) 13.835 10.263 ( -0.174 -0.174 -5.069) 5.075 10.263 ( 0.174 0.174 -5.069) 5.075 11.507 ( -15.154 -15.154 4.078) 21.816 11.507 ( 15.154 15.154 4.078) 21.816 13.322 ( -0.522 -0.522 -0.346) 0.816 13.322 ( 0.522 0.522 -0.346) 0.816 13.891 ( -3.159 -3.159 -2.256) 5.005 13.891 ( 3.159 3.159 -2.256) 5.005 15.591 ( -3.007 -3.007 -0.729) 4.315 15.591 ( 3.007 3.007 -0.729) 4.315 18.525 ( -0.316 -0.316 -20.069) 20.074 18.525 ( 0.316 0.316 -20.069) 20.074 18.987 ( -8.733 -8.733 20.946) 24.316 18.987 ( 8.733 8.733 20.946) 24.316 19.319 ( -4.616 -4.616 0.140) 6.529 19.319 ( 4.616 4.616 0.140) 6.529 23.848 ( -6.892 -6.892 -7.157) 12.092 23.848 ( 6.892 6.892 -7.157) 12.092 25.342 ( -1.775 -1.775 5.449) 5.999 25.342 ( 1.775 1.775 5.449) 5.999 26.983 ( -6.847 -6.847 6.652) 11.747 26.983 ( 6.847 6.847 6.652) 11.747 29.040 ( -0.534 -0.534 -1.296) 1.499 29.040 ( 0.534 0.534 -1.296) 1.499 31.467 ( -23.709 -23.709 -3.933) 33.760 31.467 ( 23.709 23.709 -3.933) 33.760 ======================= Grid point 301 (104/125) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 0.000 19.815 -0.000) 19.815 3.419 ( 0.000 34.257 -0.000) 34.257 5.300 ( -0.000 -1.702 0.000) 1.702 5.627 ( 0.000 37.875 -0.000) 37.875 5.902 ( -0.000 -25.139 0.000) 25.139 6.327 ( 0.000 5.546 -0.000) 5.546 6.559 ( 0.000 38.369 -0.000) 38.369 8.679 ( 0.000 11.138 -0.000) 11.138 8.902 ( 0.000 3.788 -0.000) 3.788 8.928 ( 0.000 12.816 -0.000) 12.816 9.482 ( -0.000 -0.484 0.000) 0.484 10.322 ( -0.000 -20.196 0.000) 20.196 10.403 ( 0.000 12.080 -0.000) 12.080 12.865 ( 0.000 10.363 -0.000) 10.363 12.955 ( -0.000 -24.024 0.000) 24.024 13.842 ( 0.000 5.354 -0.000) 5.354 13.852 ( 0.000 2.502 -0.000) 2.502 14.258 ( -0.000 -15.548 0.000) 15.548 14.560 ( -0.000 -7.879 0.000) 7.879 15.038 ( -0.000 -16.991 0.000) 16.991 17.068 ( -0.000 -0.850 0.000) 0.850 18.067 ( 0.000 22.068 -0.000) 22.068 18.682 ( -0.000 -30.073 0.000) 30.073 19.223 ( 0.000 27.105 -0.000) 27.105 20.485 ( -0.000 -18.262 0.000) 18.262 20.560 ( -0.000 -1.639 0.000) 1.639 22.552 ( 0.000 11.434 -0.000) 11.434 24.100 ( -0.000 -3.598 0.000) 3.598 25.014 ( -0.000 -2.661 0.000) 2.661 26.504 ( -0.000 -14.395 0.000) 14.395 27.225 ( 0.000 3.499 -0.000) 3.499 28.331 ( -0.000 -20.960 0.000) 20.960 28.647 ( -0.000 -2.575 0.000) 2.575 29.469 ( -0.000 -9.245 0.000) 9.245 30.189 ( 0.000 29.018 -0.000) 29.018 31.231 ( 0.000 6.817 -0.000) 6.817 ======================= Grid point 302 (105/125) ======================= q-point: ( 0.25 -0.25 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 40.566 12.416 0.000) 42.423 4.083 ( 4.916 24.684 -0.000) 25.169 5.104 ( -7.963 -6.814 -0.000) 10.480 5.195 ( -2.650 -40.525 0.000) 40.611 6.265 ( -0.131 21.881 -0.000) 21.881 6.444 ( 2.130 3.376 -0.000) 3.992 7.381 ( 2.780 38.418 -0.000) 38.519 8.729 ( -23.342 2.808 -0.000) 23.510 8.958 ( 2.910 12.581 -0.000) 12.913 9.203 ( 1.381 12.397 -0.000) 12.474 9.432 ( -3.190 -1.824 -0.000) 3.675 9.788 ( -10.890 -9.687 -0.000) 14.574 10.996 ( 26.858 6.912 0.000) 27.733 12.383 ( -4.787 -27.166 0.000) 27.585 13.150 ( 1.190 16.089 -0.000) 16.133 13.897 ( -10.439 -8.121 -0.000) 13.226 13.933 ( 3.429 2.771 0.000) 4.409 13.991 ( 2.424 7.180 -0.000) 7.578 14.371 ( -1.622 -10.348 0.000) 10.474 14.634 ( -9.005 -12.344 0.000) 15.279 17.161 ( 10.677 0.961 0.000) 10.720 18.075 ( -1.336 -28.222 0.000) 28.254 18.637 ( 14.167 18.055 -0.000) 22.950 19.768 ( 3.691 22.456 -0.000) 22.757 19.944 ( -11.755 -18.479 0.000) 21.901 20.514 ( -2.169 -5.767 0.000) 6.162 22.847 ( 1.629 16.297 -0.000) 16.379 23.765 ( -20.724 -3.500 -0.000) 21.018 25.206 ( 18.715 -0.940 0.000) 18.738 26.112 ( -4.391 -18.752 0.000) 19.259 27.372 ( 6.823 3.670 0.000) 7.748 27.953 ( 0.549 -17.868 0.000) 17.876 28.700 ( 9.307 -1.350 0.000) 9.405 29.237 ( 0.366 -14.226 0.000) 14.231 30.732 ( -2.768 26.488 -0.000) 26.633 31.266 ( -11.340 8.414 -0.000) 14.121 ======================= Grid point 303 (106/125) ======================= q-point: ( 0.25 -0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.057 ( -4.653 -43.742 0.000) 43.989 4.057 ( 43.742 4.653 0.000) 43.989 4.746 ( -8.375 -1.909 0.000) 8.589 4.746 ( 1.909 8.375 0.000) 8.589 6.494 ( -3.615 2.494 -0.000) 4.392 6.494 ( -2.494 3.615 -0.000) 4.392 8.155 ( -33.600 -0.343 -0.000) 33.602 8.155 ( 0.343 33.600 -0.000) 33.602 9.255 ( -7.919 -3.364 -0.000) 8.604 9.255 ( 3.364 7.919 -0.000) 8.604 9.467 ( -5.070 1.720 0.000) 5.354 9.467 ( -1.720 5.070 0.000) 5.354 11.700 ( -6.230 -27.721 0.000) 28.412 11.700 ( 27.721 6.230 0.000) 28.412 13.522 ( -16.049 -2.174 -0.000) 16.196 13.522 ( 2.174 16.049 -0.000) 16.196 14.116 ( -1.709 -8.037 0.000) 8.217 14.116 ( 8.037 1.709 0.000) 8.217 14.246 ( -7.837 -4.204 0.000) 8.894 14.246 ( 4.204 7.837 0.000) 8.894 17.528 ( -0.716 -20.976 0.000) 20.988 17.528 ( 20.976 0.716 0.000) 20.988 19.302 ( -13.719 -17.613 0.000) 22.326 19.302 ( 17.613 13.719 0.000) 22.326 20.234 ( -13.389 -5.759 -0.000) 14.575 20.234 ( 5.759 13.389 -0.000) 14.575 23.268 ( -18.358 -0.495 -0.000) 18.365 23.268 ( 0.495 18.358 -0.000) 18.365 25.631 ( -2.323 -20.331 0.000) 20.464 25.631 ( 20.331 2.323 0.000) 20.464 27.629 ( 1.221 -9.713 0.000) 9.789 27.629 ( 9.713 -1.221 0.000) 9.789 28.939 ( 3.082 -11.946 0.000) 12.337 28.939 ( 11.946 -3.082 0.000) 12.337 31.107 ( -14.405 12.226 0.000) 18.894 31.107 ( -12.226 14.405 0.000) 18.894 ======================= Grid point 310 (107/125) ======================= q-point: ( 0.37 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -0.000 13.734 10.744) 17.437 4.192 ( -0.000 25.016 14.810) 29.072 5.118 ( -0.000 -30.291 -0.124) 30.291 5.427 ( -0.000 -15.088 12.246) 19.432 6.310 ( 0.000 19.636 4.837) 20.223 6.358 ( 0.000 2.668 -5.773) 6.359 7.344 ( 0.000 37.812 -0.795) 37.820 8.491 ( 0.000 7.641 -29.626) 30.596 8.879 ( 0.000 12.508 -4.861) 13.419 9.442 ( -0.000 -0.054 0.462) 0.465 9.536 ( -0.000 8.123 12.379) 14.806 9.786 ( 0.000 -13.322 -15.020) 20.076 10.733 ( -0.000 11.716 7.947) 14.157 12.394 ( -0.000 -26.230 -3.616) 26.478 13.153 ( 0.000 15.945 1.571) 16.022 13.708 ( 0.000 0.300 -9.637) 9.641 13.897 ( 0.000 1.331 -0.211) 1.348 14.300 ( -0.000 -5.767 11.853) 13.181 14.455 ( -0.000 -7.900 6.485) 10.221 14.841 ( -0.000 -13.238 11.040) 17.237 17.160 ( -0.000 -0.264 10.080) 10.083 18.128 ( -0.000 -26.864 3.832) 27.136 18.420 ( 0.000 18.390 -5.302) 19.139 19.620 ( 0.000 17.173 -9.914) 19.830 20.025 ( -0.000 -16.776 -4.815) 17.454 20.419 ( 0.000 -1.517 -10.374) 10.484 22.917 ( -0.000 15.383 8.703) 17.674 24.178 ( -0.000 -3.005 13.209) 13.546 25.046 ( -0.000 -2.431 7.996) 8.357 26.081 ( -0.000 -17.356 -7.070) 18.741 27.257 ( 0.000 4.237 -4.673) 6.308 27.909 ( 0.000 -11.290 -5.535) 12.574 28.562 ( 0.000 -5.439 -3.133) 6.277 29.161 ( 0.000 -10.468 -6.507) 12.325 30.254 ( 0.000 18.387 -28.884) 34.240 31.981 ( -0.000 10.855 38.347) 39.854 ======================= Grid point 311 (108/125) ======================= q-point: ( 0.37 -0.26 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 576 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.242 ( 35.649 8.107 7.107) 37.244 4.211 ( -2.707 -43.769 6.122) 44.277 4.675 ( 1.343 12.225 6.222) 13.783 5.210 ( -8.091 -1.237 16.295) 18.235 6.429 ( 1.517 2.357 -6.881) 7.430 6.525 ( 1.068 1.730 0.558) 2.108 8.071 ( -0.326 31.576 -7.288) 32.408 8.564 ( -11.448 8.437 -18.386) 23.244 9.079 ( -5.666 2.031 -10.095) 11.754 9.204 ( -12.168 5.758 -8.219) 15.772 9.386 ( -4.127 -0.923 -2.408) 4.867 9.923 ( 5.794 0.963 15.010) 16.118 11.134 ( 18.978 5.436 -2.256) 19.869 11.828 ( -4.569 -23.136 1.461) 23.628 13.500 ( 0.706 14.937 -0.475) 14.962 13.743 ( -2.664 5.138 -3.710) 6.874 13.891 ( -1.129 0.081 -5.408) 5.525 14.062 ( -10.297 -3.471 0.864) 10.900 14.397 ( 4.614 -5.240 11.344) 13.320 14.618 ( 0.230 -7.016 15.985) 17.458 17.261 ( 10.075 0.526 8.472) 13.174 17.629 ( -0.100 -21.217 7.092) 22.371 18.882 ( 12.785 12.842 -7.234) 19.512 19.450 ( -6.643 -18.560 -7.346) 21.037 20.086 ( 1.799 13.588 -7.028) 15.403 20.335 ( -5.740 -2.491 -9.655) 11.505 23.263 ( 0.026 16.678 5.326) 17.508 23.896 ( -19.264 1.503 16.511) 25.417 25.237 ( 17.784 -0.979 3.919) 18.236 25.682 ( -1.284 -19.235 0.127) 19.278 27.367 ( 2.328 2.735 -6.738) 7.635 27.703 ( 3.898 -11.431 2.654) 12.365 28.549 ( 6.951 -4.629 -10.516) 13.428 28.960 ( 2.131 -9.713 0.277) 9.948 30.532 ( -5.975 13.643 -35.119) 38.147 32.128 ( -8.401 12.120 37.763) 40.540 ======================= Grid point 318 (109/125) ======================= q-point: ( 0.49 -0.26 0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( -0.000 7.501 13.608) 15.539 4.365 ( -0.000 -42.596 5.851) 42.996 4.953 ( -0.000 13.792 21.061) 25.175 5.588 ( -0.000 2.801 8.407) 8.861 6.182 ( 0.000 -0.328 -13.425) 13.429 6.558 ( -0.000 -4.710 6.259) 7.833 7.821 ( 0.000 15.163 -20.424) 25.437 8.208 ( 0.000 22.328 -13.775) 26.236 8.972 ( 0.000 7.427 -6.066) 9.590 9.271 ( 0.000 -2.502 -19.114) 19.277 9.341 ( 0.000 -1.854 -6.224) 6.494 9.873 ( -0.000 7.378 3.833) 8.315 10.976 ( -0.000 -5.146 -1.016) 5.245 11.981 ( -0.000 -10.608 9.857) 14.481 13.413 ( 0.000 10.518 -5.949) 12.084 13.744 ( 0.000 9.702 3.662) 10.370 13.866 ( 0.000 -2.445 -1.516) 2.877 14.294 ( -0.000 -5.688 3.525) 6.692 14.548 ( -0.000 -3.313 13.520) 13.920 14.887 ( -0.000 -10.499 13.009) 16.717 17.445 ( -0.000 0.023 17.579) 17.579 17.819 ( -0.000 -17.311 10.426) 20.208 18.579 ( 0.000 9.482 -8.070) 12.451 19.328 ( 0.000 -13.362 -8.952) 16.084 19.864 ( 0.000 8.308 -13.330) 15.707 20.101 ( 0.000 -1.047 -17.807) 17.838 23.462 ( -0.000 13.735 13.353) 19.156 24.487 ( -0.000 4.223 16.616) 17.144 25.224 ( -0.000 -1.805 13.313) 13.435 25.687 ( -0.000 -11.652 -0.261) 11.655 27.198 ( 0.000 3.628 -9.071) 9.769 27.563 ( 0.000 -8.542 -11.143) 14.040 28.295 ( 0.000 -10.182 -6.334) 11.991 28.931 ( -0.000 -5.045 0.364) 5.058 29.954 ( 0.000 8.704 -27.042) 28.408 32.925 ( -0.000 11.319 31.552) 33.521 ======================= Grid point 319 (110/125) ======================= q-point: (-0.51 -0.26 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.520 ( 12.793 -12.793 10.365) 20.851 3.573 ( 15.247 -15.247 9.952) 23.748 5.112 ( -2.645 2.645 20.422) 20.762 5.604 ( -9.637 9.637 8.384) 16.001 6.221 ( 1.882 -1.882 -13.958) 14.209 6.454 ( 8.118 -8.118 3.171) 11.910 7.951 ( -3.951 3.951 -28.671) 29.210 8.691 ( -10.991 10.991 -6.704) 16.929 8.808 ( -6.769 6.769 -12.500) 15.745 9.218 ( -7.552 7.552 -8.882) 13.891 9.300 ( -3.046 3.046 -8.804) 9.802 10.086 ( 5.985 -5.985 3.807) 9.281 10.861 ( 9.971 -9.971 -11.669) 18.303 11.874 ( -0.809 0.809 19.233) 19.267 13.609 ( -4.596 4.596 -4.739) 8.044 13.712 ( -2.518 2.518 -5.768) 6.779 13.944 ( 1.195 -1.195 -0.717) 1.835 14.157 ( -7.763 7.763 9.837) 14.741 14.541 ( 3.092 -3.092 13.102) 13.812 14.776 ( 7.924 -7.924 12.527) 16.808 17.509 ( 3.026 -3.026 16.786) 17.323 17.567 ( 5.790 -5.790 14.650) 16.783 18.750 ( 3.449 -3.449 -16.148) 16.869 19.105 ( 3.225 -3.225 -1.601) 4.834 20.028 ( -2.496 2.496 -16.681) 17.050 20.030 ( -2.154 2.154 -16.915) 17.188 23.633 ( -4.941 4.941 9.726) 11.976 24.482 ( -13.451 13.451 22.198) 29.234 25.273 ( 3.909 -3.909 6.277) 8.364 25.514 ( 7.874 -7.874 9.614) 14.711 27.233 ( -2.040 2.040 -11.001) 11.373 27.478 ( 9.404 -9.404 -5.328) 14.326 28.190 ( 6.116 -6.116 -10.688) 13.750 28.876 ( 2.272 -2.272 2.217) 3.903 30.052 ( -5.083 5.083 -30.476) 31.313 33.040 ( -7.784 7.784 31.610) 33.472 ======================= Grid point 326 (111/125) ======================= q-point: (-0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.421 ( -0.000 2.567 7.754) 8.168 3.756 ( -0.000 -28.597 5.737) 29.166 5.592 ( -0.000 6.739 20.878) 21.938 5.733 ( 0.000 7.003 -4.676) 8.421 5.869 ( 0.000 -1.022 -13.754) 13.792 6.497 ( -0.000 -13.504 8.451) 15.931 7.371 ( 0.000 1.060 -30.539) 30.558 8.507 ( 0.000 20.605 -11.540) 23.617 8.792 ( 0.000 -4.823 -14.277) 15.070 9.038 ( 0.000 8.723 -10.850) 13.922 9.138 ( 0.000 -1.301 -9.685) 9.772 9.994 ( 0.000 1.393 -0.617) 1.524 10.554 ( 0.000 -13.813 -10.083) 17.102 12.337 ( -0.000 3.543 22.634) 22.909 13.518 ( 0.000 12.757 -3.806) 13.313 13.778 ( -0.000 -2.703 -1.097) 2.918 13.868 ( -0.000 -3.426 1.911) 3.923 14.405 ( -0.000 3.128 5.159) 6.033 14.811 ( -0.000 -0.290 14.352) 14.355 14.908 ( -0.000 -9.113 11.667) 14.804 17.840 ( -0.000 -0.067 20.587) 20.587 17.853 ( -0.000 -2.256 11.203) 11.428 18.377 ( 0.000 -9.754 -10.200) 14.113 19.095 ( -0.000 -2.208 2.261) 3.160 19.645 ( 0.000 3.776 -19.251) 19.618 19.689 ( 0.000 -0.402 -20.472) 20.476 23.856 ( -0.000 3.277 6.706) 7.464 25.052 ( -0.000 16.995 16.154) 23.447 25.492 ( -0.000 -0.855 15.244) 15.268 25.615 ( -0.000 -5.654 8.523) 10.228 27.035 ( 0.000 1.844 -12.264) 12.401 27.133 ( 0.000 -6.087 -14.715) 15.924 27.978 ( -0.000 -10.766 -2.101) 10.970 28.933 ( -0.000 -2.052 5.610) 5.973 29.533 ( 0.000 2.372 -24.632) 24.746 33.687 ( -0.000 8.206 23.809) 25.183 ======================= Grid point 334 (112/125) ======================= q-point: (-0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.452 ( 0.000 0.000 -7.835) 7.835 3.452 ( 0.000 0.000 -7.835) 7.835 5.676 ( 0.000 0.000 -3.186) 3.186 5.676 ( 0.000 0.000 -3.186) 3.186 6.095 ( -0.000 -0.000 18.067) 18.067 6.355 ( 0.000 0.000 -10.131) 10.131 6.731 ( 0.000 0.000 -31.787) 31.787 8.350 ( 0.000 0.000 -23.541) 23.541 8.350 ( 0.000 0.000 -23.541) 23.541 9.028 ( -0.000 -0.000 1.314) 1.314 9.028 ( -0.000 -0.000 1.314) 1.314 9.943 ( 0.000 0.000 -3.824) 3.824 10.237 ( 0.000 0.000 -7.980) 7.980 12.844 ( -0.000 -0.000 22.002) 22.002 13.732 ( 0.000 0.000 -0.696) 0.696 13.732 ( 0.000 0.000 -0.696) 0.696 13.872 ( -0.000 -0.000 12.675) 12.675 14.470 ( -0.000 -0.000 4.016) 4.016 15.058 ( -0.000 -0.000 9.227) 9.227 15.058 ( -0.000 -0.000 9.227) 9.227 17.862 ( 0.000 0.000 -17.715) 17.715 18.206 ( -0.000 -0.000 12.369) 12.369 18.206 ( -0.000 -0.000 12.369) 12.369 19.207 ( -0.000 -0.000 8.527) 8.527 19.329 ( 0.000 0.000 -11.417) 11.417 19.329 ( 0.000 0.000 -11.417) 11.417 23.885 ( 0.000 0.000 -6.156) 6.156 25.507 ( -0.000 -0.000 3.392) 3.392 25.777 ( -0.000 -0.000 12.645) 12.645 25.777 ( -0.000 -0.000 12.645) 12.645 26.798 ( 0.000 0.000 -11.938) 11.938 26.798 ( 0.000 0.000 -11.938) 11.938 27.898 ( -0.000 -0.000 8.787) 8.787 29.049 ( -0.000 -0.000 5.926) 5.926 29.108 ( 0.000 0.000 -16.178) 16.178 34.185 ( -0.000 -0.000 16.239) 16.239 ======================= Grid point 377 (113/125) ======================= q-point: ( 0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 0.000 14.856 -0.000) 14.856 4.033 ( 0.000 25.949 -0.000) 25.949 5.186 ( -0.000 -6.302 0.000) 6.302 5.222 ( -0.000 -40.545 0.000) 40.545 6.267 ( 0.000 22.522 -0.000) 22.522 6.416 ( 0.000 3.680 -0.000) 3.680 7.352 ( 0.000 39.717 -0.000) 39.717 8.929 ( 0.000 12.879 -0.000) 12.879 8.990 ( 0.000 4.788 -0.000) 4.788 9.188 ( 0.000 12.614 -0.000) 12.614 9.464 ( -0.000 -1.287 0.000) 1.287 9.948 ( -0.000 -16.384 0.000) 16.384 10.650 ( 0.000 12.222 -0.000) 12.222 12.434 ( -0.000 -27.439 0.000) 27.439 13.137 ( 0.000 16.260 -0.000) 16.260 13.900 ( 0.000 2.184 -0.000) 2.184 13.966 ( 0.000 6.891 -0.000) 6.891 14.006 ( -0.000 -9.118 0.000) 9.118 14.388 ( -0.000 -9.002 0.000) 9.002 14.730 ( -0.000 -13.631 0.000) 13.631 17.055 ( -0.000 -0.365 0.000) 0.365 18.089 ( -0.000 -28.448 0.000) 28.448 18.479 ( 0.000 18.687 -0.000) 18.687 19.732 ( 0.000 23.115 -0.000) 23.115 20.071 ( -0.000 -22.331 0.000) 22.331 20.527 ( -0.000 -1.591 0.000) 1.591 22.830 ( 0.000 16.376 -0.000) 16.376 24.029 ( -0.000 -3.248 0.000) 3.248 24.962 ( -0.000 -2.403 0.000) 2.403 26.159 ( -0.000 -20.078 0.000) 20.078 27.305 ( 0.000 4.332 -0.000) 4.332 27.946 ( -0.000 -16.893 0.000) 16.893 28.602 ( -0.000 -1.724 0.000) 1.724 29.234 ( -0.000 -13.742 0.000) 13.742 30.760 ( 0.000 27.096 -0.000) 27.096 31.383 ( 0.000 8.004 -0.000) 8.004 ======================= Grid point 378 (114/125) ======================= q-point: ( 0.31 -0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 37.568 8.398 0.000) 38.495 4.132 ( -2.241 -38.164 0.000) 38.229 4.668 ( 2.340 8.502 -0.000) 8.818 4.982 ( -8.820 -5.133 -0.000) 10.205 6.503 ( 1.746 2.411 -0.000) 2.977 6.524 ( -1.061 5.122 -0.000) 5.231 8.140 ( 0.617 36.613 -0.000) 36.618 8.782 ( -26.570 2.318 -0.000) 26.671 9.188 ( 2.294 9.730 -0.000) 9.997 9.386 ( -4.412 -2.661 -0.000) 5.152 9.425 ( 1.250 9.207 -0.000) 9.292 9.625 ( -5.421 -5.946 0.000) 8.046 11.157 ( 23.673 8.243 0.000) 25.067 11.821 ( -4.679 -28.096 0.000) 28.483 13.497 ( 0.527 17.561 -0.000) 17.569 13.800 ( -10.011 -1.698 -0.000) 10.154 13.978 ( 4.332 1.920 0.000) 4.738 14.147 ( 3.581 7.776 -0.000) 8.561 14.171 ( -2.872 -9.176 0.000) 9.615 14.421 ( -6.573 -8.975 0.000) 11.125 17.176 ( 12.264 0.619 0.000) 12.279 17.555 ( -0.850 -22.897 0.000) 22.913 18.958 ( 13.977 13.513 0.000) 19.441 19.535 ( -8.144 -20.781 0.000) 22.320 20.156 ( 2.295 15.868 -0.000) 16.033 20.434 ( -6.423 -2.654 -0.000) 6.950 23.224 ( 1.450 21.048 -0.000) 21.098 23.704 ( -21.160 -2.476 -0.000) 21.305 25.194 ( 21.324 -0.310 0.000) 21.326 25.682 ( -1.988 -23.740 0.000) 23.823 27.445 ( 5.608 3.409 0.000) 6.563 27.658 ( -0.998 -11.241 0.000) 11.285 28.683 ( 9.771 -0.380 0.000) 9.779 28.939 ( -0.122 -14.693 0.000) 14.693 31.212 ( -3.626 20.614 -0.000) 20.931 31.424 ( -11.096 7.022 -0.000) 13.131 ======================= Grid point 385 (115/125) ======================= q-point: ( 0.43 -0.32 0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 329 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -0.000 9.138 9.122) 12.911 4.238 ( -0.000 -42.213 6.683) 42.738 4.660 ( -0.000 12.515 5.927) 13.848 5.297 ( -0.000 -1.613 17.161) 17.237 6.401 ( 0.000 1.591 -7.555) 7.721 6.518 ( 0.000 2.433 -0.905) 2.596 8.072 ( 0.000 33.344 -6.274) 33.929 8.654 ( 0.000 9.172 -27.271) 28.772 9.098 ( 0.000 7.980 -5.781) 9.854 9.418 ( 0.000 -1.355 -1.593) 2.091 9.577 ( 0.000 -6.526 -10.198) 12.107 9.702 ( -0.000 6.948 13.742) 15.399 10.929 ( -0.000 6.734 3.970) 7.817 11.877 ( -0.000 -23.843 1.420) 23.885 13.489 ( 0.000 16.208 -1.009) 16.240 13.762 ( 0.000 5.632 -6.305) 8.454 13.906 ( 0.000 -0.556 -2.303) 2.369 14.222 ( -0.000 -2.896 4.792) 5.599 14.311 ( -0.000 -6.023 9.113) 10.923 14.616 ( -0.000 -9.075 11.972) 15.023 17.158 ( -0.000 0.005 10.182) 10.182 17.632 ( -0.000 -21.756 6.746) 22.778 18.741 ( 0.000 13.200 -6.280) 14.618 19.520 ( 0.000 -18.951 -8.644) 20.829 20.069 ( 0.000 13.498 -6.602) 15.026 20.391 ( 0.000 -1.217 -10.244) 10.316 23.260 ( 0.000 18.068 5.923) 19.013 24.148 ( -0.000 0.568 14.987) 14.997 25.003 ( -0.000 -1.813 7.967) 8.171 25.697 ( -0.000 -20.793 -0.518) 20.799 27.341 ( 0.000 3.968 -4.894) 6.301 27.667 ( -0.000 -11.393 -0.979) 11.435 28.472 ( 0.000 -4.057 -9.119) 9.981 28.941 ( -0.000 -10.343 -0.426) 10.352 30.593 ( 0.000 14.464 -35.614) 38.439 32.215 ( -0.000 11.525 37.860) 39.575 ======================= Grid point 386 (116/125) ======================= q-point: ( 0.43 -0.32 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 328 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 14.221 -14.221 6.119) 21.022 3.390 ( 16.477 -16.477 7.484) 24.474 4.832 ( -3.101 3.101 5.721) 7.208 5.264 ( -5.049 5.049 20.918) 22.103 6.452 ( 0.523 -0.523 -8.159) 8.192 6.494 ( 2.371 -2.371 -4.181) 5.359 8.489 ( -8.663 8.663 -22.938) 26.005 8.829 ( -14.435 14.435 -5.479) 21.137 9.088 ( -3.357 3.357 -16.205) 16.886 9.316 ( -4.892 4.892 -1.660) 7.115 9.420 ( -4.329 4.329 -2.490) 6.609 9.907 ( 4.388 -4.388 14.293) 15.582 11.089 ( 10.192 -10.192 -10.718) 17.962 11.538 ( 3.908 -3.908 13.800) 14.866 13.706 ( -5.483 5.483 -4.809) 9.124 13.843 ( -1.442 1.442 -6.666) 6.971 13.969 ( -6.621 6.621 7.505) 12.001 14.005 ( -1.360 1.360 -4.890) 5.254 14.306 ( 4.197 -4.197 9.478) 11.183 14.513 ( 3.871 -3.871 13.204) 14.294 17.251 ( 4.411 -4.411 8.218) 10.318 17.309 ( 7.114 -7.114 9.990) 14.178 19.039 ( 2.630 -2.630 -10.958) 11.572 19.152 ( 3.991 -3.991 -2.471) 6.161 20.298 ( -3.218 3.218 -9.498) 10.531 20.301 ( -2.892 2.892 -9.390) 10.242 23.523 ( -7.462 7.462 -0.287) 10.556 24.033 ( -12.527 12.527 21.285) 27.693 25.182 ( 8.994 -8.994 2.364) 12.937 25.320 ( 11.321 -11.321 8.683) 18.213 27.406 ( -0.885 0.885 -6.434) 6.554 27.532 ( 5.099 -5.099 -0.334) 7.219 28.445 ( 5.140 -5.140 -13.179) 15.051 28.819 ( 4.061 -4.061 4.266) 7.154 30.744 ( -7.196 7.196 -37.428) 38.787 32.332 ( -7.550 7.550 37.777) 39.257 ======================= Grid point 394 (117/125) ======================= q-point: (-0.45 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( -0.000 3.774 12.147) 12.720 3.583 ( -0.000 -31.505 9.808) 32.996 5.132 ( -0.000 4.473 20.264) 20.752 5.734 ( -0.000 10.783 12.137) 16.235 6.175 ( 0.000 -0.304 -14.933) 14.936 6.366 ( -0.000 -12.492 -1.084) 12.539 7.989 ( 0.000 4.360 -30.271) 30.583 8.702 ( 0.000 21.540 -9.465) 23.527 8.970 ( 0.000 -3.682 -8.074) 8.874 9.343 ( 0.000 3.081 -8.086) 8.653 9.358 ( 0.000 6.798 -14.730) 16.223 9.952 ( -0.000 -0.585 5.094) 5.127 10.760 ( 0.000 -12.645 -9.951) 16.091 11.890 ( -0.000 -0.365 20.779) 20.782 13.622 ( 0.000 10.224 -6.032) 11.871 13.811 ( 0.000 -2.478 -2.349) 3.415 13.881 ( 0.000 1.282 -2.700) 2.989 14.276 ( -0.000 5.135 7.236) 8.873 14.503 ( -0.000 -1.297 15.263) 15.318 14.677 ( -0.000 -10.546 10.833) 15.118 17.445 ( -0.000 0.040 17.524) 17.524 17.542 ( -0.000 -9.551 15.651) 18.335 18.686 ( 0.000 0.643 -16.168) 16.181 19.093 ( -0.000 -7.193 -2.211) 7.525 20.020 ( 0.000 5.757 -16.653) 17.621 20.085 ( 0.000 -0.584 -17.622) 17.632 23.678 ( -0.000 6.960 8.654) 11.106 24.673 ( -0.000 13.929 20.948) 25.156 25.196 ( -0.000 -0.950 13.360) 13.394 25.429 ( -0.000 -14.362 9.442) 17.187 27.259 ( 0.000 2.194 -9.449) 9.701 27.372 ( 0.000 -8.397 -8.575) 12.002 28.125 ( 0.000 -6.309 -11.435) 13.060 28.853 ( -0.000 -2.583 2.962) 3.929 30.105 ( 0.000 5.633 -31.938) 32.431 33.121 ( -0.000 7.377 31.905) 32.747 ======================= Grid point 402 (118/125) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( -0.000 -0.000 6.987) 6.987 3.447 ( -0.000 -0.000 6.987) 6.987 5.645 ( -0.000 -0.000 24.718) 24.718 5.859 ( 0.000 0.000 -13.872) 13.872 5.859 ( 0.000 0.000 -13.872) 13.872 6.316 ( -0.000 -0.000 12.689) 12.689 7.381 ( 0.000 0.000 -32.283) 32.283 8.739 ( 0.000 0.000 -12.292) 12.292 8.739 ( 0.000 0.000 -12.292) 12.292 9.132 ( 0.000 0.000 -13.093) 13.093 9.132 ( 0.000 0.000 -13.093) 13.093 9.977 ( -0.000 -0.000 0.884) 0.884 10.414 ( 0.000 0.000 -9.381) 9.381 12.376 ( -0.000 -0.000 23.871) 23.871 13.746 ( -0.000 -0.000 0.326) 0.326 13.749 ( 0.000 0.000 -1.111) 1.111 13.749 ( 0.000 0.000 -1.111) 1.111 14.435 ( -0.000 -0.000 0.318) 0.318 14.809 ( -0.000 -0.000 14.800) 14.800 14.809 ( -0.000 -0.000 14.800) 14.800 17.839 ( -0.000 -0.000 20.503) 20.503 17.839 ( -0.000 -0.000 20.503) 20.503 18.255 ( 0.000 0.000 -20.689) 20.689 19.078 ( -0.000 -0.000 4.174) 4.174 19.685 ( 0.000 0.000 -20.347) 20.347 19.685 ( 0.000 0.000 -20.347) 20.347 23.886 ( -0.000 -0.000 5.228) 5.228 25.321 ( -0.000 -0.000 14.923) 14.923 25.483 ( -0.000 -0.000 15.333) 15.333 25.483 ( -0.000 -0.000 15.333) 15.333 27.054 ( 0.000 0.000 -12.478) 12.478 27.054 ( 0.000 0.000 -12.478) 12.478 27.864 ( 0.000 0.000 -5.012) 5.012 28.913 ( -0.000 -0.000 5.261) 5.261 29.560 ( 0.000 0.000 -26.235) 26.235 33.773 ( -0.000 -0.000 24.507) 24.507 ======================= Grid point 454 (119/125) ======================= q-point: ( 0.37 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.000 9.771 -0.000) 9.771 4.153 ( -0.000 -34.885 0.000) 34.885 4.646 ( 0.000 6.174 -0.000) 6.174 5.072 ( -0.000 -4.770 0.000) 4.770 6.478 ( 0.000 2.443 -0.000) 2.443 6.535 ( 0.000 5.390 -0.000) 5.390 8.133 ( 0.000 37.521 -0.000) 37.521 9.088 ( 0.000 4.847 -0.000) 4.847 9.165 ( 0.000 10.001 -0.000) 10.001 9.413 ( 0.000 9.130 -0.000) 9.130 9.432 ( -0.000 -1.852 0.000) 1.852 9.678 ( -0.000 -10.425 0.000) 10.425 10.881 ( 0.000 10.389 -0.000) 10.389 11.871 ( -0.000 -27.955 0.000) 27.955 13.492 ( 0.000 18.278 -0.000) 18.278 13.899 ( -0.000 -1.623 0.000) 1.623 13.938 ( 0.000 1.525 -0.000) 1.525 14.109 ( 0.000 6.859 -0.000) 6.859 14.210 ( -0.000 -8.352 0.000) 8.352 14.488 ( -0.000 -10.558 0.000) 10.558 17.052 ( -0.000 -0.024 0.000) 0.024 17.563 ( -0.000 -23.148 0.000) 23.148 18.806 ( 0.000 13.585 -0.000) 13.585 19.618 ( -0.000 -21.823 0.000) 21.823 20.134 ( 0.000 16.488 -0.000) 16.488 20.497 ( -0.000 -1.274 0.000) 1.274 23.210 ( 0.000 21.157 -0.000) 21.157 23.975 ( -0.000 -2.019 0.000) 2.019 24.920 ( -0.000 -1.803 0.000) 1.803 25.703 ( -0.000 -24.929 0.000) 24.929 27.392 ( 0.000 4.090 -0.000) 4.090 27.668 ( -0.000 -10.504 0.000) 10.504 28.579 ( -0.000 -0.575 0.000) 0.575 28.941 ( -0.000 -14.627 0.000) 14.627 31.249 ( 0.000 20.918 -0.000) 20.918 31.537 ( 0.000 7.034 -0.000) 7.034 ======================= Grid point 455 (120/125) ======================= q-point: ( 0.37 -0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.294 ( -4.146 -35.886 0.000) 36.125 3.294 ( 35.886 4.146 0.000) 36.125 4.903 ( -5.995 0.735 0.000) 6.040 4.903 ( -0.735 5.995 0.000) 6.040 6.540 ( -1.160 -1.578 0.000) 1.958 6.540 ( 1.578 1.160 0.000) 1.958 8.817 ( -27.195 3.104 -0.000) 27.372 8.817 ( -3.104 27.195 -0.000) 27.372 9.337 ( -4.961 -1.797 -0.000) 5.276 9.337 ( 1.797 4.961 -0.000) 5.276 9.547 ( -0.222 -0.301 0.000) 0.374 9.547 ( 0.301 0.222 0.000) 0.374 11.300 ( -2.555 -19.126 0.000) 19.296 11.300 ( 19.126 2.555 0.000) 19.296 13.809 ( -10.203 3.499 -0.000) 10.786 13.809 ( -3.499 10.203 -0.000) 10.786 14.019 ( -0.683 -3.721 0.000) 3.783 14.019 ( 3.721 0.683 0.000) 3.783 14.273 ( -1.552 -3.164 0.000) 3.524 14.273 ( 3.164 1.552 0.000) 3.524 17.186 ( -0.127 -12.808 0.000) 12.809 17.186 ( 12.808 0.127 0.000) 12.809 19.168 ( -7.027 -14.057 0.000) 15.716 19.168 ( 14.057 7.027 0.000) 15.716 20.397 ( -8.014 -1.162 -0.000) 8.098 20.397 ( 1.162 8.014 -0.000) 8.098 23.667 ( -17.587 2.916 -0.000) 17.827 23.667 ( -2.916 17.587 -0.000) 17.827 25.192 ( 0.468 -22.948 0.000) 22.952 25.192 ( 22.948 -0.468 0.000) 22.952 27.502 ( -1.194 -3.633 0.000) 3.824 27.502 ( 3.633 1.194 0.000) 3.824 28.681 ( 2.598 -7.306 0.000) 7.754 28.681 ( 7.306 -2.598 0.000) 7.754 31.537 ( -7.959 7.300 0.000) 10.800 31.537 ( -7.300 7.959 0.000) 10.800 ======================= Grid point 463 (121/125) ======================= q-point: ( 0.49 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -0.000 4.529 8.265) 9.425 3.407 ( -0.000 -34.389 6.668) 35.029 4.855 ( -0.000 5.103 5.830) 7.748 5.328 ( -0.000 3.657 22.618) 22.912 6.424 ( 0.000 0.752 -8.819) 8.851 6.482 ( 0.000 -3.950 -6.422) 7.540 8.559 ( 0.000 12.201 -23.994) 26.918 8.931 ( 0.000 18.797 -13.714) 23.268 9.167 ( 0.000 -0.257 -10.686) 10.689 9.415 ( 0.000 2.428 0.681) 2.522 9.538 ( 0.000 1.405 -2.727) 3.067 9.770 ( -0.000 -1.441 13.033) 13.112 10.945 ( 0.000 -5.623 -8.148) 9.900 11.526 ( -0.000 -8.995 14.432) 17.006 13.748 ( 0.000 9.213 -6.099) 11.048 13.879 ( 0.000 -1.717 -4.379) 4.703 13.941 ( 0.000 10.219 -1.459) 10.323 14.163 ( -0.000 -2.233 1.780) 2.856 14.225 ( -0.000 -2.575 11.631) 11.912 14.465 ( -0.000 -6.615 10.243) 12.194 17.159 ( -0.000 0.073 10.192) 10.193 17.284 ( -0.000 -12.188 9.137) 15.233 18.940 ( 0.000 6.180 -7.957) 10.075 19.177 ( -0.000 -12.911 -5.204) 13.920 20.289 ( 0.000 7.562 -9.377) 12.046 20.372 ( 0.000 -0.681 -10.156) 10.179 23.585 ( 0.000 12.279 -0.697) 12.299 24.234 ( -0.000 8.853 21.025) 22.813 24.975 ( -0.000 -0.964 7.962) 8.021 25.261 ( -0.000 -21.664 6.419) 22.595 27.408 ( 0.000 2.427 -5.105) 5.653 27.490 ( 0.000 -5.823 -3.484) 6.785 28.385 ( 0.000 -4.287 -12.898) 13.591 28.782 ( -0.000 -5.005 4.656) 6.836 30.817 ( 0.000 7.597 -37.905) 38.659 32.411 ( -0.000 7.276 37.762) 38.457 ======================= Grid point 471 (122/125) ======================= q-point: (-0.39 -0.39 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.241 ( -0.000 -0.000 11.680) 11.680 3.241 ( -0.000 -0.000 11.680) 11.680 5.171 ( -0.000 -0.000 20.214) 20.214 5.911 ( -0.000 -0.000 25.335) 25.335 6.172 ( 0.000 0.000 -15.457) 15.457 6.172 ( 0.000 0.000 -15.457) 15.457 8.032 ( 0.000 0.000 -31.858) 31.858 8.926 ( 0.000 0.000 -9.297) 9.297 8.926 ( 0.000 0.000 -9.297) 9.297 9.434 ( 0.000 0.000 -12.597) 12.597 9.434 ( 0.000 0.000 -12.597) 12.597 9.892 ( -0.000 -0.000 7.891) 7.891 10.616 ( 0.000 0.000 -10.584) 10.584 11.896 ( -0.000 -0.000 23.088) 23.088 13.784 ( 0.000 0.000 -2.522) 2.522 13.784 ( 0.000 0.000 -2.522) 2.522 13.828 ( 0.000 0.000 -7.579) 7.579 14.424 ( -0.000 -0.000 1.413) 1.413 14.490 ( -0.000 -0.000 15.786) 15.786 14.490 ( -0.000 -0.000 15.786) 15.786 17.446 ( -0.000 -0.000 17.488) 17.488 17.446 ( -0.000 -0.000 17.488) 17.488 18.667 ( 0.000 0.000 -18.943) 18.943 19.038 ( 0.000 0.000 -0.044) 0.044 20.079 ( 0.000 0.000 -17.555) 17.555 20.079 ( 0.000 0.000 -17.555) 17.555 23.744 ( -0.000 -0.000 6.509) 6.509 24.921 ( -0.000 -0.000 23.804) 23.804 25.186 ( -0.000 -0.000 13.381) 13.381 25.186 ( -0.000 -0.000 13.381) 13.381 27.281 ( 0.000 0.000 -9.602) 9.602 27.281 ( 0.000 0.000 -9.602) 9.602 28.058 ( 0.000 0.000 -12.842) 12.842 28.827 ( -0.000 -0.000 3.767) 3.767 30.164 ( 0.000 0.000 -33.256) 33.256 33.198 ( -0.000 -0.000 32.131) 32.131 ======================= Grid point 533 (123/125) ======================= q-point: ( 0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( 0.000 4.813 -0.000) 4.813 3.337 ( -0.000 -35.420 0.000) 35.420 4.877 ( 0.000 9.531 -0.000) 9.531 4.999 ( -0.000 -2.431 0.000) 2.431 6.515 ( 0.000 1.237 -0.000) 1.237 6.553 ( -0.000 -1.710 0.000) 1.710 8.827 ( 0.000 30.227 -0.000) 30.227 9.176 ( 0.000 3.649 -0.000) 3.649 9.318 ( 0.000 5.080 -0.000) 5.080 9.393 ( -0.000 -1.914 0.000) 1.914 9.526 ( -0.000 -4.885 0.000) 4.885 9.526 ( 0.000 1.219 -0.000) 1.219 11.051 ( 0.000 6.172 -0.000) 6.172 11.356 ( -0.000 -21.434 0.000) 21.434 13.835 ( 0.000 14.839 -0.000) 14.839 13.921 ( 0.000 2.982 -0.000) 2.982 13.961 ( 0.000 0.760 -0.000) 0.760 14.070 ( -0.000 -5.217 0.000) 5.217 14.211 ( 0.000 2.518 -0.000) 2.518 14.305 ( -0.000 -7.494 0.000) 7.494 17.053 ( 0.000 0.074 -0.000) 0.074 17.190 ( -0.000 -13.245 0.000) 13.245 19.016 ( 0.000 7.134 -0.000) 7.134 19.241 ( -0.000 -14.395 0.000) 14.395 20.385 ( 0.000 8.416 -0.000) 8.416 20.477 ( -0.000 -0.711 0.000) 0.711 23.656 ( 0.000 21.886 -0.000) 21.886 23.948 ( -0.000 -0.756 0.000) 0.756 24.892 ( -0.000 -0.963 0.000) 0.963 25.192 ( -0.000 -24.282 0.000) 24.282 27.460 ( 0.000 2.512 -0.000) 2.512 27.524 ( -0.000 -4.129 0.000) 4.129 28.575 ( -0.000 -0.006 0.000) 0.006 28.683 ( -0.000 -10.046 0.000) 10.046 31.578 ( 0.000 11.382 -0.000) 11.382 31.652 ( 0.000 4.078 -0.000) 4.078 ======================= Grid point 541 (124/125) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( -0.000 -0.000 7.999) 7.999 3.031 ( -0.000 -0.000 7.999) 7.999 4.897 ( -0.000 -0.000 5.475) 5.475 5.378 ( -0.000 -0.000 25.161) 25.161 6.431 ( 0.000 0.000 -9.275) 9.275 6.431 ( 0.000 0.000 -9.275) 9.275 8.659 ( 0.000 0.000 -29.800) 29.800 9.154 ( 0.000 0.000 -12.885) 12.885 9.154 ( 0.000 0.000 -12.885) 12.885 9.562 ( -0.000 -0.000 0.349) 0.349 9.562 ( -0.000 -0.000 0.349) 0.349 9.644 ( -0.000 -0.000 16.770) 16.770 10.844 ( 0.000 0.000 -12.125) 12.125 11.462 ( -0.000 -0.000 19.397) 19.397 13.858 ( 0.000 0.000 -4.921) 4.921 13.858 ( 0.000 0.000 -4.921) 4.921 14.017 ( 0.000 0.000 -10.289) 10.289 14.201 ( -0.000 -0.000 12.350) 12.350 14.201 ( -0.000 -0.000 12.350) 12.350 14.360 ( -0.000 -0.000 5.147) 5.147 17.160 ( -0.000 -0.000 10.185) 10.185 17.160 ( -0.000 -0.000 10.185) 10.185 18.975 ( 0.000 0.000 -10.595) 10.595 19.066 ( 0.000 0.000 -2.199) 2.199 20.365 ( 0.000 0.000 -10.124) 10.124 20.365 ( 0.000 0.000 -10.124) 10.124 23.706 ( 0.000 0.000 -4.302) 4.302 24.405 ( -0.000 -0.000 25.775) 25.775 24.965 ( -0.000 -0.000 7.963) 7.963 24.965 ( -0.000 -0.000 7.963) 7.963 27.433 ( 0.000 0.000 -5.192) 5.192 27.433 ( 0.000 0.000 -5.192) 5.192 28.334 ( 0.000 0.000 -13.438) 13.438 28.735 ( -0.000 -0.000 5.889) 5.889 30.894 ( 0.000 0.000 -38.404) 38.404 32.487 ( -0.000 -0.000 37.717) 37.717 ======================= Grid point 616 (125/125) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.67e-09 3.67e-09 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 0.000 0.000 -0.000) 0.000 2.946 ( 0.000 0.000 -0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 4.975 ( -0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 -0.000) 0.000 6.527 ( 0.000 0.000 -0.000) 0.000 9.218 ( 0.000 -0.000 0.000) 0.000 9.218 ( -0.000 -0.000 0.000) 0.000 9.369 ( 0.000 0.000 -0.000) 0.000 9.369 ( 0.000 0.000 -0.000) 0.000 9.477 ( 0.000 0.000 -0.000) 0.000 9.477 ( 0.000 0.000 -0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.115 ( -0.000 0.000 0.000) 0.000 13.968 ( 0.000 0.000 -0.000) 0.000 13.968 ( 0.000 0.000 -0.000) 0.000 14.015 ( 0.000 0.000 -0.000) 0.000 14.015 ( 0.000 0.000 -0.000) 0.000 14.216 ( 0.000 0.000 0.000) 0.000 14.216 ( -0.000 0.000 0.000) 0.000 17.054 ( 0.000 0.000 -0.000) 0.000 17.054 ( 0.000 0.000 -0.000) 0.000 19.088 ( 0.000 0.000 0.000) 0.000 19.088 ( -0.000 0.000 0.000) 0.000 20.470 ( 0.000 0.000 -0.000) 0.000 20.470 ( 0.000 0.000 -0.000) 0.000 23.941 ( 0.000 0.000 0.000) 0.000 23.941 ( -0.000 0.000 0.000) 0.000 24.882 ( 0.000 0.000 -0.000) 0.000 24.882 ( 0.000 0.000 -0.000) 0.000 27.486 ( 0.000 0.000 -0.000) 0.000 27.486 ( 0.000 0.000 -0.000) 0.000 28.575 ( 0.000 0.000 0.000) 0.000 28.575 ( -0.000 0.000 0.000) 0.000 31.694 ( 0.000 0.000 0.000) 0.000 31.694 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/41472 10.0 60091.170 60091.170 33666.475 -0.000 0.000 0.000 3/41472 20.0 21333.165 21333.165 29399.994 -0.000 0.000 0.000 3/41472 30.0 8582.926 8582.926 11103.977 -0.000 0.000 0.000 3/41472 40.0 4042.952 4042.952 4518.346 -0.000 0.000 0.000 3/41472 50.0 2267.877 2267.877 2294.763 -0.000 0.000 0.000 3/41472 60.0 1435.917 1435.917 1378.390 -0.000 0.000 0.000 3/41472 70.0 983.798 983.798 921.600 -0.000 0.000 0.000 3/41472 80.0 712.755 712.755 661.338 -0.000 0.000 0.000 3/41472 90.0 539.171 539.171 499.229 -0.000 0.000 0.000 3/41472 100.0 422.402 422.402 391.731 -0.000 0.000 0.000 3/41472 110.0 340.658 340.658 316.975 -0.000 0.000 0.000 3/41472 120.0 281.467 281.467 262.960 -0.000 0.000 0.000 3/41472 130.0 237.335 237.335 222.666 -0.000 0.000 0.000 3/41472 140.0 203.582 203.582 191.781 -0.000 0.000 0.000 3/41472 150.0 177.187 177.187 167.551 -0.000 0.000 0.000 3/41472 160.0 156.139 156.139 148.155 -0.000 0.000 0.000 3/41472 170.0 139.066 139.066 132.357 -0.000 0.000 0.000 3/41472 180.0 125.008 125.008 119.293 -0.000 0.000 0.000 3/41472 190.0 113.279 113.279 108.347 -0.000 0.000 0.000 3/41472 200.0 103.378 103.378 99.068 -0.000 0.000 0.000 3/41472 210.0 94.934 94.934 91.123 -0.000 0.000 0.000 3/41472 220.0 87.664 87.664 84.259 -0.000 0.000 0.000 3/41472 230.0 81.355 81.355 78.280 -0.000 0.000 0.000 3/41472 240.0 75.836 75.836 73.036 -0.000 0.000 0.000 3/41472 250.0 70.978 70.978 68.406 -0.000 0.000 0.000 3/41472 260.0 66.673 66.673 64.294 -0.000 0.000 0.000 3/41472 270.0 62.838 62.838 60.623 -0.000 0.000 0.000 3/41472 280.0 59.404 59.404 57.330 -0.000 0.000 0.000 3/41472 290.0 56.313 56.313 54.361 -0.000 0.000 0.000 3/41472 300.0 53.519 53.519 51.674 -0.000 0.000 0.000 3/41472 310.0 50.983 50.983 49.233 -0.000 0.000 0.000 3/41472 320.0 48.673 48.673 47.007 -0.000 0.000 0.000 3/41472 330.0 46.560 46.560 44.970 -0.000 0.000 0.000 3/41472 340.0 44.622 44.622 43.100 -0.000 0.000 0.000 3/41472 350.0 42.838 42.838 41.378 -0.000 0.000 0.000 3/41472 360.0 41.191 41.191 39.788 -0.000 0.000 0.000 3/41472 370.0 39.667 39.667 38.316 -0.000 0.000 0.000 3/41472 380.0 38.252 38.252 36.950 -0.000 0.000 0.000 3/41472 390.0 36.936 36.936 35.678 -0.000 0.000 0.000 3/41472 400.0 35.708 35.708 34.492 -0.000 0.000 0.000 3/41472 410.0 34.561 34.561 33.384 -0.000 0.000 0.000 3/41472 420.0 33.487 33.487 32.346 -0.000 0.000 0.000 3/41472 430.0 32.479 32.479 31.373 -0.000 0.000 0.000 3/41472 440.0 31.531 31.531 30.457 -0.000 0.000 0.000 3/41472 450.0 30.638 30.638 29.595 -0.000 0.000 0.000 3/41472 460.0 29.796 29.796 28.782 -0.000 0.000 0.000 3/41472 470.0 29.000 29.000 28.013 -0.000 0.000 0.000 3/41472 480.0 28.247 28.247 27.286 -0.000 0.000 0.000 3/41472 490.0 27.533 27.533 26.597 -0.000 0.000 0.000 3/41472 500.0 26.855 26.855 25.943 -0.000 0.000 0.000 3/41472 510.0 26.211 26.211 25.321 -0.000 0.000 0.000 3/41472 520.0 25.599 25.599 24.730 -0.000 0.000 0.000 3/41472 530.0 25.015 25.015 24.167 -0.000 0.000 0.000 3/41472 540.0 24.458 24.458 23.629 -0.000 0.000 0.000 3/41472 550.0 23.926 23.926 23.116 -0.000 0.000 0.000 3/41472 560.0 23.418 23.418 22.626 -0.000 0.000 0.000 3/41472 570.0 22.931 22.931 22.157 -0.000 0.000 0.000 3/41472 580.0 22.466 22.466 21.708 -0.000 0.000 0.000 3/41472 590.0 22.019 22.019 21.277 -0.000 0.000 0.000 3/41472 600.0 21.590 21.590 20.864 -0.000 0.000 0.000 3/41472 610.0 21.179 21.179 20.467 -0.000 0.000 0.000 3/41472 620.0 20.783 20.783 20.086 -0.000 0.000 0.000 3/41472 630.0 20.403 20.403 19.719 -0.000 0.000 0.000 3/41472 640.0 20.036 20.036 19.366 -0.000 0.000 0.000 3/41472 650.0 19.683 19.683 19.025 -0.000 0.000 0.000 3/41472 660.0 19.343 19.343 18.697 -0.000 0.000 0.000 3/41472 670.0 19.015 19.015 18.381 -0.000 0.000 0.000 3/41472 680.0 18.698 18.698 18.075 -0.000 0.000 0.000 3/41472 690.0 18.392 18.392 17.780 -0.000 0.000 0.000 3/41472 700.0 18.096 18.096 17.495 -0.000 0.000 0.000 3/41472 710.0 17.809 17.809 17.219 -0.000 0.000 0.000 3/41472 720.0 17.532 17.532 16.952 -0.000 0.000 0.000 3/41472 730.0 17.264 17.264 16.693 -0.000 0.000 0.000 3/41472 740.0 17.004 17.004 16.443 -0.000 0.000 0.000 3/41472 750.0 16.752 16.752 16.200 -0.000 0.000 0.000 3/41472 760.0 16.508 16.508 15.965 -0.000 0.000 0.000 3/41472 770.0 16.271 16.271 15.736 -0.000 0.000 0.000 3/41472 780.0 16.041 16.041 15.514 -0.000 0.000 0.000 3/41472 790.0 15.817 15.817 15.299 -0.000 0.000 0.000 3/41472 800.0 15.600 15.600 15.090 -0.000 0.000 0.000 3/41472 810.0 15.389 15.389 14.886 -0.000 0.000 0.000 3/41472 820.0 15.184 15.184 14.688 -0.000 0.000 0.000 3/41472 830.0 14.984 14.984 14.496 -0.000 0.000 0.000 3/41472 840.0 14.790 14.790 14.308 -0.000 0.000 0.000 3/41472 850.0 14.601 14.601 14.126 -0.000 0.000 0.000 3/41472 860.0 14.416 14.416 13.948 -0.000 0.000 0.000 3/41472 870.0 14.237 14.237 13.775 -0.000 0.000 0.000 3/41472 880.0 14.062 14.062 13.606 -0.000 0.000 0.000 3/41472 890.0 13.891 13.891 13.442 -0.000 0.000 0.000 3/41472 900.0 13.725 13.725 13.281 -0.000 0.000 0.000 3/41472 910.0 13.562 13.562 13.125 -0.000 0.000 0.000 3/41472 920.0 13.404 13.404 12.972 -0.000 0.000 0.000 3/41472 930.0 13.249 13.249 12.823 -0.000 0.000 0.000 3/41472 940.0 13.098 13.098 12.677 -0.000 0.000 0.000 3/41472 950.0 12.951 12.951 12.535 -0.000 0.000 0.000 3/41472 960.0 12.806 12.806 12.396 -0.000 0.000 0.000 3/41472 970.0 12.666 12.666 12.260 -0.000 0.000 0.000 3/41472 980.0 12.528 12.528 12.127 -0.000 0.000 0.000 3/41472 990.0 12.393 12.393 11.997 -0.000 0.000 0.000 3/41472 1000.0 12.261 12.261 11.870 -0.000 0.000 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m18144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:21:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|