----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:01:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): *1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 *9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 *33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): *1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 > 1 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 > 2 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 > 3 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 > 4 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 > 5 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 > 6 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 > 7 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 > 8 *9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 > 9 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 > 10 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 > 11 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 > 12 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 > 13 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 > 14 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 > 15 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 > 16 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 > 17 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 > 18 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 > 19 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 > 20 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 > 21 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 > 22 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 > 23 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 > 24 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 > 25 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 > 26 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 > 27 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 > 28 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 > 29 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 > 30 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 > 31 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 > 32 *33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 34 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 35 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): *1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 > 1 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 > 2 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 > 3 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 > 4 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 > 5 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 > 6 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 > 7 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 > 8 *9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 > 9 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 > 10 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 > 11 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 > 12 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 > 13 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 > 14 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 > 15 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 > 16 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 > 17 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 > 18 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 > 19 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 > 20 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 > 21 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 > 22 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 > 23 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 > 24 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 > 25 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 > 26 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 > 27 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 > 28 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 > 29 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 > 30 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 > 31 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 > 32 *33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 34 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 35 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 -------------------------- Born effective charges -------------------------- 1 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 2 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 3 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 4 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 5 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 6 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 7 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 8 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 9 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 10 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 11 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 12 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 13 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 14 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 15 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 16 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 17 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 18 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 19 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 20 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 21 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 22 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 23 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 24 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 25 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 26 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 27 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 28 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 29 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 30 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 31 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 32 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 33 Sr 2.5147105 0.2770676 -0.1413768 0.1413768 2.5147105 0.2770676 -0.2770676 0.1413768 2.5147105 34 Sr 2.5147105 0.2770676 0.1413768 0.1413768 2.5147105 -0.2770676 0.2770676 -0.1413768 2.5147105 35 Sr 2.5147105 -0.2770676 0.1413768 -0.1413768 2.5147105 0.2770676 0.2770676 0.1413768 2.5147105 36 Sr 2.5147105 -0.2770676 -0.1413768 -0.1413768 2.5147105 -0.2770676 -0.2770676 -0.1413768 2.5147105 ---------------------------------------------------------------------------- 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: 108/108 Permutation basis: 5778/5778 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 264 Number of blocks in projector: 264 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (264, 249), data: False |-- (100, 95), data: True |-- (164, 154), data: True ----- Solver_atoms: 1 -- 36 / 36 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.049 Solver_block: 200 / 240 - Time: 0.068 Solver_block: 240 / 240 - Time: 0.033 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.154 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 108/108 Permutation basis: 5778/5778 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 264 Number of blocks in projector: 264 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 2 --- Eigsh_solver_block: 1 / 2 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 2 / 2 --- Block_size: 100 Use standard eigh solver. Tree of FC basis block matrices: - (264, 249), data: False |-- (100, 95), data: True |-- (164, 154), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 20:01:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:01:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): 1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): 1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 > 1 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 > 2 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 > 3 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 > 4 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 > 5 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 > 6 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 > 7 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 > 8 9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 > 9 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 > 10 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 > 11 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 > 12 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 > 13 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 > 14 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 > 15 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 > 16 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 > 17 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 > 18 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 > 19 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 > 20 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 > 21 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 > 22 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 > 23 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 > 24 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 > 25 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 > 26 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 > 27 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 > 28 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 > 29 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 > 30 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 > 31 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 > 32 33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 34 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 35 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 -------------------------- Born effective charges -------------------------- 1 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 2 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 3 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 4 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 5 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 6 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 7 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 8 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 9 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 10 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 11 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 12 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 13 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 14 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 15 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 16 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 17 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 18 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 19 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 20 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 21 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 22 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 23 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 24 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 25 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 26 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 27 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 28 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 29 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 30 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 31 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 32 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 33 Sr 2.5147105 0.2770676 -0.1413768 0.1413768 2.5147105 0.2770676 -0.2770676 0.1413768 2.5147105 34 Sr 2.5147105 0.2770676 0.1413768 0.1413768 2.5147105 -0.2770676 0.2770676 -0.1413768 2.5147105 35 Sr 2.5147105 -0.2770676 0.1413768 -0.1413768 2.5147105 0.2770676 0.2770676 0.1413768 2.5147105 36 Sr 2.5147105 -0.2770676 -0.1413768 -0.1413768 2.5147105 -0.2770676 -0.2770676 -0.1413768 2.5147105 ---------------------------------------------------------------------------- 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] 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:01:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:01:56]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pa-3 (205) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): 1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.745829830000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.745829830000001 0.000000000000000 c 0.000000000000000 0.000000000000000 7.745829830000001 Atomic positions (fractional): 1 N 0.34061025506404 0.34061025506404 0.34061025506404 14.007 > 1 2 N 0.34061025506404 0.15938974493596 0.84061025506403 14.007 > 2 3 N 0.15938974493596 0.84061025506403 0.34061025506404 14.007 > 3 4 N 0.84061025506403 0.34061025506404 0.15938974493596 14.007 > 4 5 N 0.65938974493597 0.65938974493597 0.65938974493597 14.007 > 5 6 N 0.15938974493596 0.65938974493597 0.84061025506403 14.007 > 6 7 N 0.84061025506403 0.15938974493596 0.65938974493597 14.007 > 7 8 N 0.65938974493597 0.84061025506403 0.15938974493596 14.007 > 8 9 O 0.76910285712644 0.27912750432192 0.02668749878983 15.999 > 9 10 O 0.22087249567808 0.97331250121017 0.26910285712644 15.999 > 10 11 O 0.23089714287356 0.77912750432192 0.47331250121017 15.999 > 11 12 O 0.26910285712644 0.22087249567808 0.97331250121017 15.999 > 12 13 O 0.26910285712644 0.27912750432192 0.47331250121017 15.999 > 13 14 O 0.47331250121017 0.26910285712644 0.27912750432192 15.999 > 14 15 O 0.27912750432192 0.47331250121017 0.26910285712644 15.999 > 15 16 O 0.22087249567808 0.52668749878983 0.76910285712644 15.999 > 16 17 O 0.97331250121017 0.23089714287356 0.72087249567808 15.999 > 17 18 O 0.72087249567808 0.97331250121017 0.23089714287356 15.999 > 18 19 O 0.02668749878983 0.73089714287356 0.77912750432192 15.999 > 19 20 O 0.52668749878983 0.76910285712644 0.22087249567808 15.999 > 20 21 O 0.77912750432192 0.02668749878983 0.73089714287356 15.999 > 21 22 O 0.76910285712644 0.22087249567808 0.52668749878983 15.999 > 22 23 O 0.73089714287356 0.77912750432192 0.02668749878983 15.999 > 23 24 O 0.23089714287356 0.72087249567808 0.97331250121017 15.999 > 24 25 O 0.73089714287356 0.72087249567808 0.52668749878983 15.999 > 25 26 O 0.52668749878983 0.73089714287356 0.72087249567808 15.999 > 26 27 O 0.72087249567808 0.52668749878983 0.73089714287356 15.999 > 27 28 O 0.77912750432192 0.47331250121017 0.23089714287356 15.999 > 28 29 O 0.02668749878983 0.76910285712644 0.27912750432192 15.999 > 29 30 O 0.27912750432192 0.02668749878983 0.76910285712644 15.999 > 30 31 O 0.97331250121017 0.26910285712644 0.22087249567808 15.999 > 31 32 O 0.47331250121017 0.23089714287356 0.77912750432192 15.999 > 32 33 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 33 34 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 34 35 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 35 36 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 0.0000000 0.0000000 0.0000000 2.6289620 -------------------------- Born effective charges -------------------------- 1 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 2 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 3 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 4 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 5 N 1.8966062 -0.7510632 -0.9643706 -0.9643706 1.8966062 -0.7510632 -0.7510632 -0.9643706 1.8966062 6 N 1.8966062 -0.7510632 0.9643706 -0.9643706 1.8966062 0.7510632 0.7510632 0.9643706 1.8966062 7 N 1.8966062 0.7510632 0.9643706 0.9643706 1.8966062 -0.7510632 0.7510632 -0.9643706 1.8966062 8 N 1.8966062 0.7510632 -0.9643706 0.9643706 1.8966062 0.7510632 -0.7510632 0.9643706 1.8966062 9 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 10 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 11 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 12 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 13 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 14 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 15 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 16 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 17 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 18 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 19 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 20 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 21 O -0.8770948 -0.3858841 -0.1228096 -0.4648440 -1.3190678 0.5197943 -0.0512884 0.6372836 -0.9577988 22 O -0.9577988 -0.0512884 -0.6372836 -0.1228096 -0.8770948 0.3858841 -0.5197943 0.4648440 -1.3190678 23 O -0.9577988 -0.0512884 0.6372836 -0.1228096 -0.8770948 -0.3858841 0.5197943 -0.4648440 -1.3190678 24 O -0.9577988 0.0512884 -0.6372836 0.1228096 -0.8770948 -0.3858841 -0.5197943 -0.4648440 -1.3190678 25 O -0.9577988 0.0512884 0.6372836 0.1228096 -0.8770948 0.3858841 0.5197943 0.4648440 -1.3190678 26 O -1.3190678 0.5197943 0.4648440 0.6372836 -0.9577988 0.0512884 0.3858841 0.1228096 -0.8770948 27 O -0.8770948 0.3858841 0.1228096 0.4648440 -1.3190678 0.5197943 0.0512884 0.6372836 -0.9577988 28 O -0.8770948 0.3858841 -0.1228096 0.4648440 -1.3190678 -0.5197943 -0.0512884 -0.6372836 -0.9577988 29 O -1.3190678 -0.5197943 -0.4648440 -0.6372836 -0.9577988 0.0512884 -0.3858841 0.1228096 -0.8770948 30 O -0.8770948 -0.3858841 0.1228096 -0.4648440 -1.3190678 -0.5197943 0.0512884 -0.6372836 -0.9577988 31 O -1.3190678 0.5197943 -0.4648440 0.6372836 -0.9577988 -0.0512884 -0.3858841 -0.1228096 -0.8770948 32 O -1.3190678 -0.5197943 0.4648440 -0.6372836 -0.9577988 -0.0512884 0.3858841 -0.1228096 -0.8770948 33 Sr 2.5147105 0.2770676 -0.1413768 0.1413768 2.5147105 0.2770676 -0.2770676 0.1413768 2.5147105 34 Sr 2.5147105 0.2770676 0.1413768 0.1413768 2.5147105 -0.2770676 0.2770676 -0.1413768 2.5147105 35 Sr 2.5147105 -0.2770676 0.1413768 -0.1413768 2.5147105 0.2770676 0.2770676 0.1413768 2.5147105 36 Sr 2.5147105 -0.2770676 -0.1413768 -0.1413768 2.5147105 -0.2770676 -0.2770676 -0.1413768 2.5147105 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 6 6 6 ] 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: 0.54, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 2.898 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.287 ( 0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.014 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.568 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 21.513 ( 0.000 0.000 0.000) 0.000 21.513 ( 0.000 0.000 0.000) 0.000 21.535 ( 0.000 0.000 0.000) 0.000 21.535 ( 0.000 0.000 0.000) 0.000 21.535 ( 0.000 0.000 0.000) 0.000 21.574 ( 0.000 0.000 0.000) 0.000 21.574 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.596 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.625 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 21.735 ( 0.000 0.000 0.000) 0.000 23.621 ( 0.000 0.000 0.000) 0.000 23.621 ( 0.000 0.000 0.000) 0.000 23.621 ( 0.000 0.000 0.000) 0.000 23.643 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.669 ( 0.000 0.000 0.000) 0.000 23.698 ( 0.000 0.000 0.000) 0.000 32.273 ( 0.000 0.000 0.000) 0.000 32.273 ( 0.000 0.000 0.000) 0.000 32.273 ( 0.000 0.000 0.000) 0.000 32.278 ( 0.000 0.000 0.000) 0.000 32.278 ( 0.000 0.000 0.000) 0.000 32.278 ( 0.000 0.000 0.000) 0.000 32.303 ( 0.000 0.000 0.000) 0.000 32.325 ( 0.000 0.000 0.000) 0.000 41.776 ( 0.000 0.000 0.000) 0.000 41.776 ( 0.000 0.000 0.000) 0.000 41.776 ( 0.000 0.000 0.000) 0.000 42.128 ( 0.000 0.000 0.000) 0.000 42.128 ( 0.000 0.000 0.000) 0.000 43.028 ( 0.000 0.000 0.000) 0.000 43.028 ( 0.000 0.000 0.000) 0.000 43.028 ( 0.000 0.000 0.000) 0.000 43.417 ( 0.000 0.000 0.000) 0.000 43.417 ( 0.000 0.000 0.000) 0.000 43.658 ( 0.000 0.000 0.000) 0.000 43.658 ( 0.000 0.000 0.000) 0.000 43.658 ( 0.000 0.000 0.000) 0.000 43.816 ( 0.000 0.000 0.000) 0.000 43.816 ( 0.000 0.000 0.000) 0.000 43.816 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 21.455 0.000 0.000) 21.455 0.482 ( 21.501 0.000 0.000) 21.501 0.895 ( 40.947 0.000 0.000) 40.947 1.768 ( -7.771 0.000 0.000) 7.771 1.972 ( 11.406 0.000 0.000) 11.406 2.004 ( 13.689 0.000 0.000) 13.689 2.052 ( -9.748 0.000 0.000) 9.748 2.200 ( 5.293 0.000 0.000) 5.293 2.254 ( 8.101 0.000 0.000) 8.101 2.750 ( -2.026 0.000 0.000) 2.026 2.895 ( 0.077 0.000 0.000) 0.077 2.898 ( 0.272 0.000 0.000) 0.272 3.068 ( -13.240 0.000 0.000) 13.240 3.147 ( 12.705 0.000 0.000) 12.705 3.265 ( -6.952 0.000 0.000) 6.952 3.338 ( -0.165 0.000 0.000) 0.165 3.399 ( 3.365 0.000 0.000) 3.365 3.403 ( 2.536 0.000 0.000) 2.536 3.442 ( 5.313 0.000 0.000) 5.313 3.444 ( -11.914 0.000 0.000) 11.914 3.466 ( 9.452 0.000 0.000) 9.452 3.600 ( 1.181 0.000 0.000) 1.181 3.730 ( -2.079 0.000 0.000) 2.079 3.802 ( -5.119 0.000 0.000) 5.119 3.857 ( -1.114 0.000 0.000) 1.114 3.933 ( 5.973 0.000 0.000) 5.973 4.013 ( 7.249 0.000 0.000) 7.249 4.217 ( -7.626 0.000 0.000) 7.626 4.246 ( -4.034 0.000 0.000) 4.034 4.467 ( -10.567 0.000 0.000) 10.567 4.572 ( -8.145 0.000 0.000) 8.145 4.619 ( -3.896 0.000 0.000) 3.896 4.757 ( -6.273 0.000 0.000) 6.273 4.776 ( 1.851 0.000 0.000) 1.851 4.789 ( -1.895 0.000 0.000) 1.895 4.900 ( -5.728 0.000 0.000) 5.728 4.946 ( -2.578 0.000 0.000) 2.578 4.948 ( -1.740 0.000 0.000) 1.740 4.961 ( 8.663 0.000 0.000) 8.663 4.979 ( 1.707 0.000 0.000) 1.707 4.997 ( -0.108 0.000 0.000) 0.108 5.030 ( 2.614 0.000 0.000) 2.614 5.059 ( 2.048 0.000 0.000) 2.048 5.165 ( -0.505 0.000 0.000) 0.505 5.173 ( 0.409 0.000 0.000) 0.409 5.293 ( 7.650 0.000 0.000) 7.650 5.358 ( 11.308 0.000 0.000) 11.308 5.477 ( -5.213 0.000 0.000) 5.213 5.497 ( -5.052 0.000 0.000) 5.052 5.576 ( -0.822 0.000 0.000) 0.822 5.605 ( 4.397 0.000 0.000) 4.397 5.735 ( 0.595 0.000 0.000) 0.595 5.769 ( 3.919 0.000 0.000) 3.919 6.010 ( -1.899 0.000 0.000) 1.899 6.114 ( -3.541 0.000 0.000) 3.541 6.131 ( -1.901 0.000 0.000) 1.901 6.179 ( 2.480 0.000 0.000) 2.480 6.476 ( -2.307 0.000 0.000) 2.307 6.485 ( -1.555 0.000 0.000) 1.555 6.514 ( -4.421 0.000 0.000) 4.421 21.512 ( -0.082 0.000 0.000) 0.082 21.524 ( -0.776 0.000 0.000) 0.776 21.524 ( 0.975 0.000 0.000) 0.975 21.531 ( -0.366 0.000 0.000) 0.366 21.533 ( -0.152 0.000 0.000) 0.152 21.575 ( 0.112 0.000 0.000) 0.112 21.584 ( 0.782 0.000 0.000) 0.782 21.592 ( -0.330 0.000 0.000) 0.330 21.597 ( 0.140 0.000 0.000) 0.140 21.624 ( -0.127 0.000 0.000) 0.127 21.626 ( 0.073 0.000 0.000) 0.073 21.632 ( 0.296 0.000 0.000) 0.296 21.669 ( 0.372 0.000 0.000) 0.372 21.731 ( -0.392 0.000 0.000) 0.392 21.736 ( 0.128 0.000 0.000) 0.128 21.739 ( 0.298 0.000 0.000) 0.298 23.622 ( 0.093 0.000 0.000) 0.093 23.622 ( 0.098 0.000 0.000) 0.098 23.641 ( -0.195 0.000 0.000) 0.195 23.643 ( -0.197 0.000 0.000) 0.197 23.669 ( 0.047 0.000 0.000) 0.047 23.670 ( 0.060 0.000 0.000) 0.060 23.672 ( 0.237 0.000 0.000) 0.237 23.697 ( -0.116 0.000 0.000) 0.116 32.259 ( -0.563 0.000 0.000) 0.563 32.273 ( -0.384 0.000 0.000) 0.384 32.275 ( 0.109 0.000 0.000) 0.109 32.275 ( 0.118 0.000 0.000) 0.118 32.281 ( 0.307 0.000 0.000) 0.307 32.296 ( 0.978 0.000 0.000) 0.978 32.303 ( -0.020 0.000 0.000) 0.020 32.327 ( 0.184 0.000 0.000) 0.184 41.799 ( 2.137 0.000 0.000) 2.137 41.848 ( 6.618 0.000 0.000) 6.618 42.105 ( -2.152 0.000 0.000) 2.152 42.221 ( 8.351 0.000 0.000) 8.351 42.894 ( -10.660 0.000 0.000) 10.660 43.040 ( 1.028 0.000 0.000) 1.028 43.056 ( 2.538 0.000 0.000) 2.538 43.247 ( -1.315 0.000 0.000) 1.315 43.427 ( 0.732 0.000 0.000) 0.732 43.450 ( 0.844 0.000 0.000) 0.844 43.476 ( -12.199 0.000 0.000) 12.199 43.635 ( -1.987 0.000 0.000) 1.987 43.659 ( 0.906 0.000 0.000) 0.906 43.815 ( -0.201 0.000 0.000) 0.201 43.939 ( 6.909 0.000 0.000) 6.909 44.345 ( -2.188 0.000 0.000) 2.188 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 18.444 0.000 0.000) 18.444 0.921 ( 21.351 0.000 0.000) 21.351 1.559 ( -11.517 0.000 0.000) 11.517 1.746 ( 37.574 0.000 0.000) 37.574 1.762 ( -16.451 0.000 0.000) 16.451 2.282 ( 15.527 0.000 0.000) 15.527 2.333 ( 7.108 0.000 0.000) 7.108 2.337 ( 14.436 0.000 0.000) 14.436 2.443 ( 7.641 0.000 0.000) 7.641 2.793 ( 5.319 0.000 0.000) 5.319 2.797 ( -10.091 0.000 0.000) 10.091 2.914 ( 1.644 0.000 0.000) 1.644 2.932 ( 1.900 0.000 0.000) 1.900 3.112 ( -8.117 0.000 0.000) 8.117 3.146 ( -13.920 0.000 0.000) 13.920 3.173 ( -23.964 0.000 0.000) 23.964 3.347 ( 1.206 0.000 0.000) 1.206 3.371 ( 6.582 0.000 0.000) 6.582 3.511 ( 6.276 0.000 0.000) 6.276 3.550 ( 4.547 0.000 0.000) 4.547 3.581 ( 6.306 0.000 0.000) 6.306 3.633 ( -2.239 0.000 0.000) 2.239 3.758 ( 10.217 0.000 0.000) 10.217 3.784 ( -4.845 0.000 0.000) 4.845 3.948 ( 11.833 0.000 0.000) 11.833 3.953 ( -14.102 0.000 0.000) 14.102 4.055 ( 5.071 0.000 0.000) 5.071 4.122 ( -6.328 0.000 0.000) 6.328 4.207 ( 9.225 0.000 0.000) 9.225 4.280 ( -8.146 0.000 0.000) 8.146 4.356 ( -11.377 0.000 0.000) 11.377 4.505 ( -6.351 0.000 0.000) 6.351 4.612 ( -5.406 0.000 0.000) 5.406 4.732 ( -9.209 0.000 0.000) 9.209 4.752 ( -0.264 0.000 0.000) 0.264 4.795 ( -0.233 0.000 0.000) 0.233 4.886 ( -2.154 0.000 0.000) 2.154 4.901 ( -2.179 0.000 0.000) 2.179 5.009 ( 1.306 0.000 0.000) 1.306 5.052 ( 3.423 0.000 0.000) 3.423 5.086 ( 0.130 0.000 0.000) 0.130 5.100 ( 4.710 0.000 0.000) 4.710 5.167 ( 1.372 0.000 0.000) 1.372 5.173 ( -0.664 0.000 0.000) 0.664 5.222 ( 12.270 0.000 0.000) 12.270 5.351 ( -6.246 0.000 0.000) 6.246 5.361 ( -6.930 0.000 0.000) 6.930 5.442 ( 6.157 0.000 0.000) 6.157 5.534 ( -2.919 0.000 0.000) 2.919 5.603 ( 11.038 0.000 0.000) 11.038 5.708 ( -3.926 0.000 0.000) 3.926 5.730 ( 6.808 0.000 0.000) 6.808 5.871 ( 4.756 0.000 0.000) 4.756 5.966 ( -1.793 0.000 0.000) 1.793 6.001 ( -6.869 0.000 0.000) 6.869 6.074 ( -3.306 0.000 0.000) 3.306 6.254 ( 4.249 0.000 0.000) 4.249 6.404 ( -4.793 0.000 0.000) 4.793 6.410 ( -3.409 0.000 0.000) 3.409 6.433 ( -3.203 0.000 0.000) 3.203 21.510 ( -0.142 0.000 0.000) 0.142 21.510 ( -0.368 0.000 0.000) 0.368 21.525 ( -0.170 0.000 0.000) 0.170 21.529 ( -0.231 0.000 0.000) 0.231 21.553 ( 1.591 0.000 0.000) 1.591 21.578 ( 0.099 0.000 0.000) 0.099 21.585 ( -0.284 0.000 0.000) 0.284 21.601 ( 0.070 0.000 0.000) 0.070 21.602 ( 0.850 0.000 0.000) 0.850 21.620 ( -0.216 0.000 0.000) 0.216 21.626 ( -0.178 0.000 0.000) 0.178 21.627 ( -0.779 0.000 0.000) 0.779 21.682 ( 0.759 0.000 0.000) 0.759 21.719 ( -0.745 0.000 0.000) 0.745 21.742 ( 0.405 0.000 0.000) 0.405 21.746 ( 0.285 0.000 0.000) 0.285 23.625 ( 0.185 0.000 0.000) 0.185 23.625 ( 0.205 0.000 0.000) 0.205 23.636 ( -0.275 0.000 0.000) 0.275 23.637 ( -0.298 0.000 0.000) 0.298 23.671 ( 0.050 0.000 0.000) 0.050 23.671 ( 0.044 0.000 0.000) 0.044 23.678 ( 0.369 0.000 0.000) 0.369 23.693 ( -0.255 0.000 0.000) 0.255 32.252 ( -0.117 0.000 0.000) 0.117 32.263 ( -0.502 0.000 0.000) 0.502 32.277 ( 0.115 0.000 0.000) 0.115 32.278 ( 0.112 0.000 0.000) 0.112 32.289 ( 0.404 0.000 0.000) 0.404 32.301 ( -0.120 0.000 0.000) 0.120 32.316 ( 0.768 0.000 0.000) 0.768 32.330 ( 0.066 0.000 0.000) 0.066 41.863 ( 3.712 0.000 0.000) 3.712 42.040 ( -3.727 0.000 0.000) 3.727 42.048 ( 11.494 0.000 0.000) 11.494 42.469 ( 14.090 0.000 0.000) 14.090 42.625 ( -13.696 0.000 0.000) 13.696 43.051 ( -2.537 0.000 0.000) 2.537 43.136 ( 4.896 0.000 0.000) 4.896 43.201 ( -10.696 0.000 0.000) 10.696 43.208 ( -2.195 0.000 0.000) 2.195 43.387 ( -4.980 0.000 0.000) 4.980 43.467 ( 1.887 0.000 0.000) 1.887 43.580 ( -2.883 0.000 0.000) 2.883 43.709 ( 3.101 0.000 0.000) 3.101 43.803 ( -1.020 0.000 0.000) 1.020 44.074 ( 5.697 0.000 0.000) 5.697 44.279 ( -3.782 0.000 0.000) 3.782 ======================= Grid point 3 (4/24) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -15.005 0.000 0.000) 15.005 1.273 ( 15.005 0.000 0.000) 15.005 1.367 ( -19.869 0.000 0.000) 19.869 1.367 ( 19.869 0.000 0.000) 19.869 2.407 ( -12.791 0.000 0.000) 12.791 2.407 ( 12.791 0.000 0.000) 12.791 2.518 ( -1.721 0.000 0.000) 1.721 2.518 ( 1.721 0.000 0.000) 1.721 2.575 ( -23.547 0.000 0.000) 23.547 2.575 ( 23.547 0.000 0.000) 23.547 2.802 ( -12.425 0.000 0.000) 12.425 2.802 ( 12.425 0.000 0.000) 12.425 2.915 ( -3.549 0.000 0.000) 3.549 2.915 ( 3.549 0.000 0.000) 3.549 3.006 ( -4.248 0.000 0.000) 4.248 3.006 ( 4.248 0.000 0.000) 4.248 3.420 ( -3.803 0.000 0.000) 3.803 3.420 ( 3.803 0.000 0.000) 3.803 3.536 ( -0.527 0.000 0.000) 0.527 3.536 ( 0.527 0.000 0.000) 0.527 3.667 ( -5.737 0.000 0.000) 5.737 3.667 ( 5.737 0.000 0.000) 5.737 3.750 ( -6.499 0.000 0.000) 6.499 3.750 ( 6.499 0.000 0.000) 6.499 4.013 ( -8.877 0.000 0.000) 8.877 4.013 ( 8.877 0.000 0.000) 8.877 4.114 ( -1.582 0.000 0.000) 1.582 4.114 ( 1.582 0.000 0.000) 1.582 4.150 ( -3.445 0.000 0.000) 3.445 4.150 ( 3.445 0.000 0.000) 3.445 4.377 ( -6.204 0.000 0.000) 6.204 4.377 ( 6.204 0.000 0.000) 6.204 4.567 ( -3.444 0.000 0.000) 3.444 4.567 ( 3.444 0.000 0.000) 3.444 4.771 ( -1.537 0.000 0.000) 1.537 4.771 ( 1.537 0.000 0.000) 1.537 4.869 ( -0.544 0.000 0.000) 0.544 4.869 ( 0.544 0.000 0.000) 0.544 5.047 ( -2.012 0.000 0.000) 2.012 5.047 ( 2.012 0.000 0.000) 2.012 5.136 ( -2.892 0.000 0.000) 2.892 5.136 ( 2.892 0.000 0.000) 2.892 5.217 ( -6.017 0.000 0.000) 6.017 5.217 ( 6.017 0.000 0.000) 6.017 5.231 ( -4.604 0.000 0.000) 4.604 5.231 ( 4.604 0.000 0.000) 4.604 5.438 ( -6.835 0.000 0.000) 6.835 5.438 ( 6.835 0.000 0.000) 6.835 5.577 ( -6.954 0.000 0.000) 6.954 5.577 ( 6.954 0.000 0.000) 6.954 5.824 ( -9.422 0.000 0.000) 9.422 5.824 ( 9.422 0.000 0.000) 9.422 5.869 ( -5.179 0.000 0.000) 5.179 5.869 ( 5.179 0.000 0.000) 5.179 5.994 ( -3.988 0.000 0.000) 3.988 5.994 ( 3.988 0.000 0.000) 3.988 6.350 ( -4.396 0.000 0.000) 4.396 6.350 ( 4.396 0.000 0.000) 4.396 6.356 ( -0.758 0.000 0.000) 0.758 6.356 ( 0.758 0.000 0.000) 0.758 21.507 ( -0.046 0.000 0.000) 0.046 21.507 ( 0.046 0.000 0.000) 0.046 21.525 ( -0.111 0.000 0.000) 0.111 21.525 ( 0.111 0.000 0.000) 0.111 21.580 ( -0.143 0.000 0.000) 0.143 21.580 ( 0.143 0.000 0.000) 0.143 21.587 ( -1.433 0.000 0.000) 1.433 21.587 ( 1.433 0.000 0.000) 1.433 21.616 ( -0.043 0.000 0.000) 0.043 21.616 ( 0.043 0.000 0.000) 0.043 21.618 ( -0.557 0.000 0.000) 0.557 21.618 ( 0.557 0.000 0.000) 0.557 21.700 ( -0.917 0.000 0.000) 0.917 21.700 ( 0.917 0.000 0.000) 0.917 21.748 ( -0.085 0.000 0.000) 0.085 21.748 ( 0.085 0.000 0.000) 0.085 23.630 ( -0.257 0.000 0.000) 0.257 23.630 ( 0.257 0.000 0.000) 0.257 23.631 ( -0.288 0.000 0.000) 0.288 23.631 ( 0.288 0.000 0.000) 0.288 23.671 ( -0.009 0.000 0.000) 0.009 23.671 ( 0.009 0.000 0.000) 0.009 23.686 ( -0.363 0.000 0.000) 0.363 23.686 ( 0.363 0.000 0.000) 0.363 32.254 ( -0.296 0.000 0.000) 0.296 32.254 ( 0.296 0.000 0.000) 0.296 32.279 ( -0.007 0.000 0.000) 0.007 32.279 ( 0.007 0.000 0.000) 0.007 32.297 ( -0.290 0.000 0.000) 0.290 32.297 ( 0.290 0.000 0.000) 0.290 32.328 ( -0.338 0.000 0.000) 0.338 32.328 ( 0.338 0.000 0.000) 0.338 41.952 ( -4.298 0.000 0.000) 4.298 41.952 ( 4.298 0.000 0.000) 4.298 42.325 ( -13.817 0.000 0.000) 13.817 42.325 ( 13.817 0.000 0.000) 13.817 42.798 ( -15.765 0.000 0.000) 15.765 42.798 ( 15.765 0.000 0.000) 15.765 43.159 ( -1.996 0.000 0.000) 1.996 43.159 ( 1.996 0.000 0.000) 1.996 43.259 ( -6.256 0.000 0.000) 6.256 43.259 ( 6.256 0.000 0.000) 6.256 43.518 ( -2.757 0.000 0.000) 2.757 43.518 ( 2.757 0.000 0.000) 2.757 43.769 ( -2.221 0.000 0.000) 2.221 43.769 ( 2.221 0.000 0.000) 2.221 44.186 ( -4.770 0.000 0.000) 4.770 44.186 ( 4.770 0.000 0.000) 4.770 ======================= Grid point 8 (5/24) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 15.118 14.329 0.000) 20.829 0.909 ( 17.596 21.584 0.000) 27.848 1.067 ( 25.032 22.127 0.000) 33.410 1.799 ( -1.826 -1.104 0.000) 2.134 1.974 ( 1.887 -0.708 0.000) 2.016 2.007 ( 7.417 5.225 0.000) 9.073 2.086 ( -5.227 1.723 0.000) 5.504 2.266 ( 5.479 4.967 0.000) 7.395 2.346 ( 11.172 7.307 0.000) 13.350 2.688 ( -1.144 1.408 0.000) 1.814 2.889 ( -1.875 -0.958 0.000) 2.106 3.001 ( 2.342 1.305 0.000) 2.681 3.096 ( 0.378 -12.287 0.000) 12.293 3.136 ( -8.728 9.925 0.000) 13.217 3.197 ( 4.210 3.600 0.000) 5.540 3.255 ( 0.473 -8.702 0.000) 8.715 3.366 ( -0.180 -2.788 0.000) 2.794 3.390 ( 0.995 -1.313 0.000) 1.648 3.476 ( 4.071 6.762 0.000) 7.892 3.481 ( -4.202 4.603 0.000) 6.233 3.586 ( -13.194 -3.871 0.000) 13.751 3.624 ( 4.053 -3.368 0.000) 5.270 3.670 ( -0.991 -1.216 0.000) 1.569 3.735 ( 10.732 3.496 0.000) 11.287 3.816 ( -1.092 -3.395 0.000) 3.567 3.953 ( 1.338 1.340 0.000) 1.893 4.053 ( 5.229 8.061 0.000) 9.608 4.187 ( -3.984 -4.547 0.000) 6.046 4.250 ( -1.534 0.246 0.000) 1.554 4.375 ( -8.293 -6.372 0.000) 10.458 4.547 ( -2.205 -6.341 0.000) 6.713 4.617 ( -4.594 -0.793 0.000) 4.662 4.762 ( -1.131 -1.962 0.000) 2.264 4.780 ( 0.783 -5.812 0.000) 5.865 4.798 ( -7.263 2.205 0.000) 7.590 4.823 ( 0.694 -5.690 0.000) 5.732 4.905 ( -1.098 -2.945 0.000) 3.143 4.905 ( -1.095 -2.946 0.000) 3.143 4.939 ( -1.932 8.497 0.000) 8.714 4.964 ( 0.986 -3.787 0.000) 3.913 5.016 ( -0.963 2.669 0.000) 2.837 5.035 ( 3.170 0.205 0.000) 3.177 5.124 ( 0.562 0.953 0.000) 1.107 5.162 ( 4.736 3.217 0.000) 5.726 5.245 ( -2.910 5.346 0.000) 6.087 5.357 ( 10.498 -0.148 0.000) 10.499 5.424 ( 4.992 9.237 0.000) 10.500 5.439 ( -5.136 -3.702 0.000) 6.331 5.518 ( -3.308 1.994 0.000) 3.862 5.546 ( 4.323 -5.015 0.000) 6.620 5.614 ( -0.587 2.397 0.000) 2.468 5.772 ( -0.202 2.836 0.000) 2.843 5.789 ( 4.217 -2.582 0.000) 4.945 5.920 ( -4.565 -1.599 0.000) 4.837 6.096 ( -3.582 -1.870 0.000) 4.041 6.132 ( 0.770 -2.649 0.000) 2.759 6.166 ( -0.306 1.500 0.000) 1.531 6.425 ( -2.954 -3.477 0.000) 4.562 6.460 ( -2.223 -1.475 0.000) 2.668 6.489 ( -3.067 -3.447 0.000) 4.614 21.517 ( 0.192 0.061 0.000) 0.202 21.525 ( -0.463 -0.042 0.000) 0.465 21.526 ( 0.216 -0.496 0.000) 0.541 21.528 ( 0.516 0.660 0.000) 0.838 21.530 ( -0.224 -0.095 0.000) 0.244 21.574 ( 0.104 -0.206 0.000) 0.230 21.579 ( -0.112 0.231 0.000) 0.256 21.593 ( -0.392 0.141 0.000) 0.416 21.603 ( 0.478 0.220 0.000) 0.527 21.616 ( -0.495 -0.305 0.000) 0.582 21.634 ( 0.351 0.071 0.000) 0.358 21.637 ( 0.231 0.290 0.000) 0.370 21.677 ( 0.573 0.478 0.000) 0.746 21.732 ( 0.141 -0.393 0.000) 0.418 21.735 ( -0.328 0.317 0.000) 0.456 21.740 ( 0.295 0.156 0.000) 0.334 23.622 ( 0.033 0.047 0.000) 0.058 23.623 ( 0.075 0.073 0.000) 0.105 23.639 ( -0.163 -0.164 0.000) 0.232 23.640 ( -0.180 -0.185 0.000) 0.258 23.670 ( 0.075 0.059 0.000) 0.095 23.672 ( 0.217 0.041 0.000) 0.221 23.674 ( 0.082 0.268 0.000) 0.280 23.696 ( -0.104 -0.102 0.000) 0.146 32.262 ( 0.070 -0.423 0.000) 0.429 32.263 ( -0.507 0.303 0.000) 0.590 32.277 ( 0.234 -0.149 0.000) 0.278 32.277 ( 0.207 -0.051 0.000) 0.213 32.296 ( -0.083 1.051 0.000) 1.054 32.297 ( 0.895 0.095 0.000) 0.900 32.303 ( 0.006 -0.002 0.000) 0.006 32.329 ( 0.160 0.162 0.000) 0.228 41.859 ( 5.560 2.017 0.000) 5.914 41.870 ( 1.977 6.459 0.000) 6.755 42.152 ( 2.224 -0.038 0.000) 2.225 42.269 ( 5.590 6.900 0.000) 8.880 42.847 ( -6.152 -7.079 0.000) 9.379 42.998 ( -2.310 0.226 0.000) 2.321 43.064 ( 2.276 1.002 0.000) 2.486 43.200 ( -2.520 -3.246 0.000) 4.110 43.405 ( -5.883 -2.444 0.000) 6.370 43.459 ( 1.416 0.868 0.000) 1.661 43.534 ( -6.093 3.909 0.000) 7.239 43.583 ( 5.439 -10.807 0.000) 12.098 43.644 ( 1.019 -0.860 0.000) 1.334 43.842 ( -6.165 7.414 0.000) 9.642 43.914 ( 5.830 -2.188 0.000) 6.227 44.305 ( -2.971 -2.898 0.000) 4.150 ======================= Grid point 9 (6/24) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 15.631 8.399 0.000) 17.745 1.172 ( 11.366 19.490 0.000) 22.562 1.669 ( -7.075 8.852 0.000) 11.332 1.795 ( 34.286 4.940 0.000) 34.640 1.874 ( -12.275 9.377 0.000) 15.447 2.094 ( 7.827 -9.217 0.000) 12.091 2.223 ( 8.179 -5.079 0.000) 9.628 2.422 ( 8.461 4.119 0.000) 9.411 2.604 ( 9.593 -6.587 0.000) 11.637 2.728 ( 1.285 11.517 0.000) 11.588 2.829 ( -3.271 -6.137 0.000) 6.954 2.868 ( -4.131 6.259 0.000) 7.499 3.076 ( -0.934 -3.922 0.000) 4.031 3.106 ( 0.999 9.783 0.000) 9.834 3.123 ( -22.272 -2.272 0.000) 22.388 3.236 ( -6.618 6.223 0.000) 9.084 3.303 ( 1.561 -5.709 0.000) 5.919 3.347 ( 4.438 -1.856 0.000) 4.811 3.456 ( 3.207 -7.420 0.000) 8.083 3.489 ( 2.168 -4.356 0.000) 4.866 3.612 ( 5.148 8.147 0.000) 9.637 3.629 ( -3.290 -2.061 0.000) 3.882 3.762 ( 5.742 1.085 0.000) 5.843 3.818 ( 3.855 -0.120 0.000) 3.857 3.870 ( -3.462 -2.260 0.000) 4.134 4.011 ( 4.473 -2.340 0.000) 5.048 4.086 ( -5.760 4.970 0.000) 7.607 4.158 ( 1.241 -2.604 0.000) 2.884 4.213 ( 7.948 4.356 0.000) 9.064 4.232 ( -5.341 2.687 0.000) 5.979 4.443 ( -10.227 4.658 0.000) 11.238 4.468 ( -4.735 -3.017 0.000) 5.615 4.621 ( -6.041 0.598 0.000) 6.071 4.730 ( -5.737 0.593 0.000) 5.768 4.767 ( 0.291 -0.739 0.000) 0.794 4.847 ( 1.428 -2.106 0.000) 2.545 4.863 ( -3.118 0.053 0.000) 3.118 4.882 ( -1.243 0.562 0.000) 1.364 4.914 ( 1.093 -6.009 0.000) 6.107 4.989 ( -1.769 1.165 0.000) 2.118 4.993 ( 1.353 -5.826 0.000) 5.981 5.145 ( 1.997 -1.310 0.000) 2.389 5.179 ( -4.045 1.621 0.000) 4.358 5.185 ( 9.044 -2.255 0.000) 9.321 5.279 ( 6.407 7.063 0.000) 9.536 5.292 ( -6.591 -3.356 0.000) 7.396 5.437 ( -4.433 3.597 0.000) 5.709 5.525 ( 4.329 5.417 0.000) 6.934 5.576 ( -2.963 2.811 0.000) 4.085 5.582 ( 9.772 -1.508 0.000) 9.888 5.672 ( 7.012 -4.211 0.000) 8.180 5.715 ( -5.033 -0.694 0.000) 5.080 5.850 ( -0.575 -7.551 0.000) 7.573 5.909 ( 3.774 2.593 0.000) 4.579 5.984 ( -6.262 -1.344 0.000) 6.405 6.093 ( -3.236 1.548 0.000) 3.587 6.219 ( 3.967 -2.939 0.000) 4.937 6.356 ( -3.047 -3.368 0.000) 4.542 6.397 ( -3.326 -1.298 0.000) 3.570 6.407 ( -3.984 -2.909 0.000) 4.933 21.517 ( -0.208 0.475 0.000) 0.519 21.518 ( -0.053 0.524 0.000) 0.526 21.527 ( -0.069 0.127 0.000) 0.145 21.528 ( 0.028 0.158 0.000) 0.160 21.549 ( 1.186 -0.356 0.000) 1.238 21.575 ( -0.217 -0.321 0.000) 0.388 21.582 ( 0.439 -0.632 0.000) 0.770 21.585 ( -0.125 0.168 0.000) 0.209 21.605 ( -0.512 -0.578 0.000) 0.773 21.609 ( -0.028 0.214 0.000) 0.216 21.634 ( -0.198 0.293 0.000) 0.354 21.639 ( -0.072 0.304 0.000) 0.313 21.690 ( 0.711 0.643 0.000) 0.959 21.724 ( -0.665 0.454 0.000) 0.806 21.740 ( 0.515 -0.273 0.000) 0.583 21.746 ( 0.254 0.084 0.000) 0.268 23.624 ( 0.141 -0.053 0.000) 0.151 23.625 ( 0.137 0.001 0.000) 0.137 23.635 ( -0.219 -0.091 0.000) 0.237 23.636 ( -0.210 -0.122 0.000) 0.243 23.672 ( 0.082 0.105 0.000) 0.133 23.674 ( -0.012 0.278 0.000) 0.278 23.678 ( 0.348 0.001 0.000) 0.348 23.692 ( -0.238 -0.072 0.000) 0.249 32.256 ( -0.130 0.353 0.000) 0.377 32.261 ( -0.164 -0.071 0.000) 0.179 32.281 ( 0.198 0.232 0.000) 0.305 32.283 ( 0.229 -0.152 0.000) 0.275 32.294 ( 0.013 0.853 0.000) 0.853 32.301 ( -0.105 0.025 0.000) 0.108 32.316 ( 0.752 0.035 0.000) 0.753 32.332 ( 0.030 0.103 0.000) 0.107 41.929 ( 3.295 5.912 0.000) 6.768 42.001 ( 5.060 1.209 0.000) 5.202 42.176 ( 3.020 5.570 0.000) 6.336 42.489 ( 13.543 2.580 0.000) 13.786 42.633 ( -12.205 -0.227 0.000) 12.207 42.988 ( -0.619 -4.024 0.000) 4.071 43.126 ( 1.077 -1.645 0.000) 1.966 43.159 ( 0.983 -2.469 0.000) 2.657 43.186 ( -11.695 -1.301 0.000) 11.767 43.392 ( -5.664 0.514 0.000) 5.687 43.529 ( 2.616 4.384 0.000) 5.105 43.648 ( 0.080 -0.019 0.000) 0.082 43.681 ( 1.899 -2.273 0.000) 2.962 43.735 ( -3.012 -1.212 0.000) 3.247 44.031 ( 5.030 -3.834 0.000) 6.324 44.228 ( -4.086 -4.123 0.000) 5.805 ======================= Grid point 10 (7/24) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -6.834 5.329 0.000) 8.666 1.275 ( 6.834 5.329 0.000) 8.666 1.622 ( -7.986 16.826 0.000) 18.625 1.622 ( 7.986 16.826 0.000) 18.625 2.248 ( -3.869 -10.592 0.000) 11.277 2.248 ( 3.869 -10.592 0.000) 11.277 2.513 ( -27.069 0.674 0.000) 27.078 2.513 ( 27.069 0.674 0.000) 27.078 2.601 ( -10.716 1.571 0.000) 10.831 2.601 ( 10.716 1.571 0.000) 10.831 2.752 ( -4.109 -8.072 0.000) 9.057 2.752 ( 4.109 -8.072 0.000) 9.057 3.009 ( -7.878 12.380 0.000) 14.674 3.009 ( 7.878 12.380 0.000) 14.674 3.143 ( -1.412 7.626 0.000) 7.755 3.143 ( 1.412 7.626 0.000) 7.755 3.361 ( -2.682 -6.452 0.000) 6.987 3.361 ( 2.682 -6.452 0.000) 6.987 3.544 ( -0.137 -5.774 0.000) 5.775 3.544 ( 0.137 -5.774 0.000) 5.775 3.564 ( -1.949 1.326 0.000) 2.357 3.564 ( 1.949 1.326 0.000) 2.357 3.797 ( -1.577 1.480 0.000) 2.162 3.797 ( 1.577 1.480 0.000) 2.162 4.021 ( -9.379 1.216 0.000) 9.457 4.021 ( 9.379 1.216 0.000) 9.457 4.074 ( -0.871 -3.695 0.000) 3.797 4.074 ( 0.871 -3.695 0.000) 3.797 4.249 ( -2.430 6.823 0.000) 7.243 4.249 ( 2.430 6.823 0.000) 7.243 4.379 ( -4.463 1.807 0.000) 4.814 4.379 ( 4.463 1.807 0.000) 4.814 4.587 ( -4.787 2.618 0.000) 5.456 4.587 ( 4.787 2.618 0.000) 5.456 4.794 ( -2.397 0.197 0.000) 2.405 4.794 ( 2.397 0.197 0.000) 2.405 4.876 ( -0.555 -0.921 0.000) 1.076 4.876 ( 0.555 -0.921 0.000) 1.076 4.945 ( -1.896 -4.560 0.000) 4.938 4.945 ( 1.896 -4.560 0.000) 4.938 5.062 ( -5.388 -4.116 0.000) 6.780 5.062 ( 5.388 -4.116 0.000) 6.780 5.197 ( -2.907 -1.542 0.000) 3.291 5.197 ( 2.907 -1.542 0.000) 3.291 5.334 ( -5.180 3.770 0.000) 6.406 5.334 ( 5.180 3.770 0.000) 6.406 5.458 ( -8.365 1.678 0.000) 8.532 5.458 ( 8.365 1.678 0.000) 8.532 5.609 ( -4.042 2.060 0.000) 4.537 5.609 ( 4.042 2.060 0.000) 4.537 5.771 ( -7.014 -4.866 0.000) 8.536 5.771 ( 7.014 -4.866 0.000) 8.536 5.826 ( -7.057 -2.584 0.000) 7.515 5.826 ( 7.057 -2.584 0.000) 7.515 6.011 ( -4.243 1.943 0.000) 4.667 6.011 ( 4.243 1.943 0.000) 4.667 6.308 ( -3.520 -3.422 0.000) 4.910 6.308 ( 3.520 -3.422 0.000) 4.910 6.343 ( -0.449 -1.485 0.000) 1.551 6.343 ( 0.449 -1.485 0.000) 1.551 21.516 ( -0.074 0.695 0.000) 0.699 21.516 ( 0.074 0.695 0.000) 0.699 21.527 ( -0.074 0.274 0.000) 0.284 21.527 ( 0.074 0.274 0.000) 0.284 21.568 ( -0.471 -0.798 0.000) 0.927 21.568 ( 0.471 -0.798 0.000) 0.927 21.591 ( -0.042 -0.404 0.000) 0.406 21.591 ( 0.042 -0.404 0.000) 0.406 21.598 ( -0.457 0.012 0.000) 0.457 21.598 ( 0.457 0.012 0.000) 0.457 21.635 ( -0.243 0.373 0.000) 0.445 21.635 ( 0.243 0.373 0.000) 0.445 21.707 ( -0.844 0.580 0.000) 1.024 21.707 ( 0.844 0.580 0.000) 1.024 21.748 ( -0.169 -0.063 0.000) 0.180 21.748 ( 0.169 -0.063 0.000) 0.180 23.627 ( -0.069 -0.127 0.000) 0.144 23.627 ( 0.069 -0.127 0.000) 0.144 23.632 ( -0.061 -0.001 0.000) 0.061 23.632 ( 0.061 -0.001 0.000) 0.061 23.674 ( -0.053 0.190 0.000) 0.197 23.674 ( 0.053 0.190 0.000) 0.197 23.686 ( -0.345 -0.037 0.000) 0.347 23.686 ( 0.345 -0.037 0.000) 0.347 32.256 ( -0.156 0.237 0.000) 0.284 32.256 ( 0.156 0.237 0.000) 0.284 32.284 ( -0.106 0.261 0.000) 0.281 32.284 ( 0.106 0.261 0.000) 0.281 32.298 ( -0.217 0.209 0.000) 0.302 32.298 ( 0.217 0.209 0.000) 0.302 32.328 ( -0.361 0.043 0.000) 0.364 32.328 ( 0.361 0.043 0.000) 0.364 42.001 ( -2.945 4.528 0.000) 5.401 42.001 ( 2.945 4.528 0.000) 5.401 42.363 ( -12.120 2.705 0.000) 12.418 42.363 ( 12.120 2.705 0.000) 12.418 42.805 ( -14.643 0.771 0.000) 14.664 42.805 ( 14.643 0.771 0.000) 14.664 43.091 ( -1.489 -4.850 0.000) 5.073 43.091 ( 1.489 -4.850 0.000) 5.073 43.262 ( -6.017 0.229 0.000) 6.021 43.262 ( 6.017 0.229 0.000) 6.021 43.596 ( -3.443 5.954 0.000) 6.878 43.596 ( 3.443 5.954 0.000) 6.878 43.710 ( -0.719 -5.338 0.000) 5.386 43.710 ( 0.719 -5.338 0.000) 5.386 44.134 ( -4.585 -4.506 0.000) 6.428 44.134 ( 4.585 -4.506 0.000) 6.428 ======================= Grid point 15 (8/24) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 8.934 18.745 0.000) 20.765 1.205 ( 22.366 11.989 0.000) 25.376 1.666 ( 7.640 -7.331 0.000) 10.588 1.768 ( 3.188 32.510 0.000) 32.666 1.792 ( 2.859 -14.221 0.000) 14.505 2.244 ( -5.713 10.589 0.000) 12.032 2.266 ( -1.384 15.724 0.000) 15.785 2.394 ( 5.218 6.941 0.000) 8.684 2.455 ( -0.977 2.415 0.000) 2.606 2.786 ( -3.942 -11.264 0.000) 11.934 2.868 ( 8.113 11.464 0.000) 14.044 2.878 ( -0.523 -6.445 0.000) 6.466 3.008 ( 3.161 0.286 0.000) 3.174 3.044 ( -2.379 -12.843 0.000) 13.062 3.203 ( 6.737 -8.269 0.000) 10.666 3.274 ( -4.031 4.203 0.000) 5.823 3.342 ( -1.948 -1.631 0.000) 2.541 3.343 ( 9.200 -13.260 0.000) 16.139 3.400 ( -6.269 6.389 0.000) 8.951 3.443 ( -11.313 -0.820 0.000) 11.343 3.596 ( 1.549 2.600 0.000) 3.026 3.674 ( 4.508 7.888 0.000) 9.086 3.687 ( -5.075 1.243 0.000) 5.225 3.864 ( 5.138 5.522 0.000) 7.543 3.867 ( -4.641 5.058 0.000) 6.865 3.988 ( 1.647 -10.135 0.000) 10.268 4.019 ( -2.305 2.629 0.000) 3.496 4.231 ( 3.558 -2.743 0.000) 4.493 4.262 ( 1.661 -4.574 0.000) 4.866 4.270 ( 5.203 11.152 0.000) 12.306 4.373 ( 1.246 -8.902 0.000) 8.989 4.530 ( 0.123 -4.886 0.000) 4.888 4.657 ( 3.736 -4.448 0.000) 5.809 4.716 ( -6.643 -1.773 0.000) 6.876 4.728 ( -0.917 -2.270 0.000) 2.448 4.829 ( 5.192 -5.264 0.000) 7.394 4.843 ( -5.718 0.845 0.000) 5.780 4.856 ( -2.216 -1.367 0.000) 2.603 4.898 ( -1.576 -1.400 0.000) 2.108 5.013 ( -0.120 -2.927 0.000) 2.929 5.071 ( -2.598 4.422 0.000) 5.129 5.128 ( 0.650 2.145 0.000) 2.241 5.170 ( -4.654 9.841 0.000) 10.886 5.257 ( 7.529 3.955 0.000) 8.505 5.327 ( -2.459 -5.306 0.000) 5.848 5.334 ( 7.611 -2.752 0.000) 8.093 5.355 ( -6.675 2.731 0.000) 7.212 5.412 ( 5.239 -5.573 0.000) 7.649 5.532 ( -1.564 -0.969 0.000) 1.840 5.597 ( -6.579 -4.736 0.000) 8.106 5.644 ( 3.427 10.150 0.000) 10.713 5.757 ( -0.639 4.391 0.000) 4.437 5.868 ( -0.140 4.665 0.000) 4.667 5.941 ( -0.889 0.674 0.000) 1.116 6.024 ( 2.024 -6.734 0.000) 7.031 6.039 ( -3.251 -3.227 0.000) 4.581 6.235 ( -1.663 4.145 0.000) 4.466 6.347 ( -3.510 -3.420 0.000) 4.901 6.392 ( -2.580 -4.736 0.000) 5.393 6.411 ( -2.045 -3.107 0.000) 3.719 21.513 ( 0.315 -0.188 0.000) 0.367 21.518 ( 0.618 -0.272 0.000) 0.675 21.523 ( -0.098 -0.086 0.000) 0.130 21.527 ( -0.066 -0.193 0.000) 0.204 21.553 ( 0.029 1.497 0.000) 1.497 21.575 ( -0.209 0.142 0.000) 0.253 21.581 ( -0.176 -0.098 0.000) 0.201 21.597 ( -0.263 0.176 0.000) 0.317 21.609 ( -0.692 -0.281 0.000) 0.747 21.612 ( 0.477 0.640 0.000) 0.798 21.632 ( 0.198 -0.774 0.000) 0.799 21.633 ( 0.370 -0.155 0.000) 0.401 21.688 ( 0.627 0.620 0.000) 0.882 21.720 ( 0.188 -0.694 0.000) 0.719 21.743 ( -0.149 0.363 0.000) 0.393 21.746 ( 0.122 0.297 0.000) 0.321 23.625 ( -0.046 0.188 0.000) 0.194 23.625 ( 0.023 0.156 0.000) 0.158 23.635 ( -0.099 -0.240 0.000) 0.260 23.635 ( -0.142 -0.254 0.000) 0.291 23.672 ( 0.107 0.067 0.000) 0.126 23.673 ( 0.178 0.024 0.000) 0.180 23.680 ( 0.089 0.310 0.000) 0.323 23.693 ( -0.063 -0.222 0.000) 0.231 32.256 ( 0.304 -0.077 0.000) 0.313 32.267 ( 0.349 -0.470 0.000) 0.585 32.271 ( -0.337 0.393 0.000) 0.518 32.279 ( 0.146 0.062 0.000) 0.158 32.300 ( 0.638 0.105 0.000) 0.646 32.302 ( 0.170 -0.014 0.000) 0.171 32.316 ( 0.005 0.791 0.000) 0.791 32.332 ( 0.108 0.038 0.000) 0.114 41.928 ( 5.640 4.016 0.000) 6.924 42.064 ( 1.464 11.149 0.000) 11.244 42.105 ( 5.361 -3.408 0.000) 6.353 42.497 ( 2.824 13.258 0.000) 13.555 42.616 ( -1.138 -12.748 0.000) 12.799 43.063 ( 0.216 -6.132 0.000) 6.136 43.069 ( -5.153 5.212 0.000) 7.330 43.127 ( -1.385 0.109 0.000) 1.389 43.324 ( -6.064 -5.040 0.000) 7.885 43.333 ( 6.504 -9.965 0.000) 11.900 43.483 ( 0.816 1.334 0.000) 1.564 43.559 ( -2.349 -1.552 0.000) 2.816 43.679 ( -0.687 4.028 0.000) 4.086 43.851 ( 3.129 -3.483 0.000) 4.682 44.001 ( -6.018 6.669 0.000) 8.983 44.229 ( -4.119 -4.129 0.000) 5.832 ======================= Grid point 16 (9/24) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 11.868 14.775 0.000) 18.951 1.581 ( 4.177 14.918 0.000) 15.492 1.808 ( 8.824 2.511 0.000) 9.174 1.890 ( 6.218 -11.064 0.000) 12.692 1.991 ( 18.309 11.133 0.000) 21.428 2.111 ( -6.524 11.377 0.000) 13.115 2.206 ( -4.777 6.574 0.000) 8.126 2.455 ( 1.369 -5.532 0.000) 5.699 2.543 ( 8.016 7.504 0.000) 10.980 2.672 ( -4.200 -7.622 0.000) 8.702 2.882 ( -10.038 2.567 0.000) 10.361 2.960 ( 7.396 -8.277 0.000) 11.100 2.986 ( -8.125 0.277 0.000) 8.129 3.035 ( 2.097 -12.726 0.000) 12.898 3.202 ( 0.249 10.957 0.000) 10.960 3.265 ( -6.017 -5.602 0.000) 8.221 3.324 ( 1.667 1.585 0.000) 2.300 3.364 ( 3.665 9.672 0.000) 10.343 3.375 ( 7.074 -3.667 0.000) 7.968 3.468 ( -1.605 -0.105 0.000) 1.609 3.525 ( 1.165 2.781 0.000) 3.015 3.768 ( -4.846 0.215 0.000) 4.850 3.785 ( -2.391 1.165 0.000) 2.660 3.790 ( 9.538 -2.086 0.000) 9.763 3.807 ( -0.549 -3.665 0.000) 3.706 3.980 ( -0.896 -2.944 0.000) 3.077 4.010 ( -1.818 -1.092 0.000) 2.121 4.195 ( -4.300 1.107 0.000) 4.440 4.346 ( 1.656 3.104 0.000) 3.518 4.393 ( 5.394 10.634 0.000) 11.924 4.425 ( 5.674 0.096 0.000) 5.675 4.520 ( -1.214 2.550 0.000) 2.824 4.590 ( -2.418 -2.201 0.000) 3.270 4.722 ( 1.656 -1.220 0.000) 2.057 4.747 ( -1.239 0.037 0.000) 1.239 4.782 ( 1.828 -2.614 0.000) 3.190 4.813 ( -5.931 0.722 0.000) 5.975 4.837 ( 1.123 -2.189 0.000) 2.461 4.899 ( 2.046 -3.056 0.000) 3.677 4.964 ( -8.800 3.695 0.000) 9.545 5.046 ( -5.366 3.048 0.000) 6.171 5.074 ( 6.224 -7.409 0.000) 9.676 5.152 ( 1.708 3.044 0.000) 3.491 5.204 ( -7.863 -4.244 0.000) 8.935 5.259 ( -2.945 3.253 0.000) 4.388 5.392 ( -7.552 -9.107 0.000) 11.831 5.409 ( 6.278 2.737 0.000) 6.848 5.453 ( 4.657 -5.470 0.000) 7.184 5.542 ( -1.125 -5.854 0.000) 5.961 5.575 ( 8.411 -2.560 0.000) 8.792 5.691 ( -4.962 4.993 0.000) 7.040 5.731 ( 4.357 8.642 0.000) 9.678 5.861 ( -1.199 5.299 0.000) 5.433 5.907 ( -4.958 -3.187 0.000) 5.894 5.993 ( 1.782 1.831 0.000) 2.555 6.074 ( 1.788 -5.228 0.000) 5.525 6.196 ( -1.240 2.609 0.000) 2.889 6.278 ( -2.526 -3.515 0.000) 4.328 6.321 ( -3.364 -4.486 0.000) 5.608 6.352 ( -3.143 -2.878 0.000) 4.262 21.521 ( 0.390 0.076 0.000) 0.397 21.524 ( 0.231 0.169 0.000) 0.286 21.529 ( 0.217 -0.008 0.000) 0.218 21.535 ( 0.934 -0.350 0.000) 0.997 21.551 ( -0.355 1.118 0.000) 1.173 21.571 ( -0.364 0.112 0.000) 0.381 21.576 ( -0.053 -0.096 0.000) 0.109 21.594 ( -0.320 -0.430 0.000) 0.536 21.595 ( -0.236 0.521 0.000) 0.571 21.615 ( -0.204 0.373 0.000) 0.425 21.634 ( 0.004 -0.759 0.000) 0.759 21.635 ( -0.171 -0.228 0.000) 0.285 21.704 ( 0.793 0.634 0.000) 1.016 21.731 ( 0.752 -0.537 0.000) 0.924 21.735 ( -0.500 0.536 0.000) 0.732 21.749 ( 0.028 0.032 0.000) 0.043 23.625 ( 0.040 0.105 0.000) 0.112 23.626 ( 0.029 0.076 0.000) 0.082 23.632 ( -0.125 -0.158 0.000) 0.202 23.632 ( -0.120 -0.192 0.000) 0.227 23.675 ( 0.158 0.124 0.000) 0.200 23.678 ( 0.296 -0.028 0.000) 0.297 23.680 ( -0.052 0.270 0.000) 0.275 23.690 ( -0.187 -0.157 0.000) 0.244 32.262 ( 0.169 0.159 0.000) 0.232 32.266 ( -0.141 0.511 0.000) 0.531 32.276 ( 0.395 -0.422 0.000) 0.578 32.283 ( 0.101 -0.119 0.000) 0.156 32.305 ( 0.177 0.314 0.000) 0.360 32.314 ( -0.175 0.846 0.000) 0.864 32.316 ( 0.688 -0.079 0.000) 0.692 32.333 ( -0.053 -0.039 0.000) 0.066 42.072 ( 6.325 4.649 0.000) 7.849 42.104 ( 2.053 9.976 0.000) 10.185 42.229 ( 5.803 -0.738 0.000) 5.850 42.551 ( -5.479 -7.825 0.000) 9.552 42.615 ( 8.677 9.063 0.000) 12.547 42.968 ( -3.499 2.713 0.000) 4.428 43.026 ( -2.429 -6.761 0.000) 7.184 43.142 ( -10.171 -2.890 0.000) 10.574 43.171 ( 4.251 2.655 0.000) 5.013 43.415 ( -5.926 1.815 0.000) 6.198 43.466 ( 5.426 -10.667 0.000) 11.967 43.559 ( 1.481 -3.087 0.000) 3.424 43.684 ( 0.840 4.196 0.000) 4.279 43.857 ( -6.632 7.114 0.000) 9.725 43.924 ( 3.708 -5.731 0.000) 6.826 44.124 ( -5.270 -5.326 0.000) 7.492 ======================= Grid point 17 (10/24) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.810 13.514 0.000) 16.132 1.493 ( 8.810 13.514 0.000) 16.132 1.964 ( -5.878 8.435 0.000) 10.281 1.964 ( 5.878 8.435 0.000) 10.281 2.059 ( -7.669 -2.744 0.000) 8.146 2.059 ( 7.669 -2.744 0.000) 8.146 2.414 ( -12.469 -8.401 0.000) 15.035 2.414 ( 12.469 -8.401 0.000) 15.035 2.648 ( -5.465 0.520 0.000) 5.489 2.648 ( 5.465 0.520 0.000) 5.489 2.731 ( -10.096 8.258 0.000) 13.043 2.731 ( 10.096 8.258 0.000) 13.043 3.114 ( -6.550 -9.925 0.000) 11.891 3.114 ( 6.550 -9.925 0.000) 11.891 3.177 ( -7.969 -1.036 0.000) 8.036 3.177 ( 7.969 -1.036 0.000) 8.036 3.368 ( -3.708 7.999 0.000) 8.817 3.368 ( 3.708 7.999 0.000) 8.817 3.481 ( -3.628 3.788 0.000) 5.245 3.481 ( 3.628 3.788 0.000) 5.245 3.576 ( -7.179 -2.260 0.000) 7.526 3.576 ( 7.179 -2.260 0.000) 7.526 3.788 ( -2.130 -1.786 0.000) 2.779 3.788 ( 2.130 -1.786 0.000) 2.779 3.981 ( -2.197 -3.471 0.000) 4.108 3.981 ( 2.197 -3.471 0.000) 4.108 4.027 ( -9.675 -2.037 0.000) 9.887 4.027 ( 9.675 -2.037 0.000) 9.887 4.414 ( -5.492 8.541 0.000) 10.154 4.414 ( 5.492 8.541 0.000) 10.154 4.501 ( -1.315 8.438 0.000) 8.540 4.501 ( 1.315 8.438 0.000) 8.540 4.657 ( -6.801 1.842 0.000) 7.046 4.657 ( 6.801 1.842 0.000) 7.046 4.734 ( -2.083 -2.815 0.000) 3.502 4.734 ( 2.083 -2.815 0.000) 3.502 4.806 ( -1.558 -2.763 0.000) 3.172 4.806 ( 1.558 -2.763 0.000) 3.172 4.928 ( -6.105 0.404 0.000) 6.118 4.928 ( 6.105 0.404 0.000) 6.118 5.015 ( -8.209 -1.679 0.000) 8.379 5.015 ( 8.209 -1.679 0.000) 8.379 5.200 ( -2.667 3.356 0.000) 4.287 5.200 ( 2.667 3.356 0.000) 4.287 5.239 ( -7.589 -11.153 0.000) 13.490 5.239 ( 7.589 -11.153 0.000) 13.490 5.505 ( -2.654 -7.198 0.000) 7.671 5.505 ( 2.654 -7.198 0.000) 7.671 5.568 ( -6.006 4.410 0.000) 7.451 5.568 ( 6.006 4.410 0.000) 7.451 5.750 ( -7.665 -2.270 0.000) 7.994 5.750 ( 7.665 -2.270 0.000) 7.994 5.821 ( -3.698 5.998 0.000) 7.047 5.821 ( 3.698 5.998 0.000) 7.047 6.057 ( -2.918 0.886 0.000) 3.050 6.057 ( 2.918 0.886 0.000) 3.050 6.221 ( -2.991 -3.450 0.000) 4.566 6.221 ( 2.991 -3.450 0.000) 4.566 6.295 ( -1.495 -2.903 0.000) 3.265 6.295 ( 1.495 -2.903 0.000) 3.265 21.527 ( -0.068 0.290 0.000) 0.297 21.527 ( 0.068 0.290 0.000) 0.297 21.538 ( -0.633 0.318 0.000) 0.709 21.538 ( 0.633 0.318 0.000) 0.709 21.556 ( -0.899 0.094 0.000) 0.904 21.556 ( 0.899 0.094 0.000) 0.904 21.582 ( -0.456 -0.359 0.000) 0.581 21.582 ( 0.456 -0.359 0.000) 0.581 21.604 ( -0.688 0.417 0.000) 0.805 21.604 ( 0.688 0.417 0.000) 0.805 21.633 ( -0.029 -0.529 0.000) 0.530 21.633 ( 0.029 -0.529 0.000) 0.530 21.721 ( -0.764 0.675 0.000) 1.020 21.721 ( 0.764 0.675 0.000) 1.020 21.745 ( -0.435 -0.281 0.000) 0.518 21.745 ( 0.435 -0.281 0.000) 0.518 23.626 ( -0.059 0.026 0.000) 0.064 23.626 ( 0.059 0.026 0.000) 0.064 23.631 ( -0.019 -0.120 0.000) 0.122 23.631 ( 0.019 -0.120 0.000) 0.122 23.678 ( -0.144 0.208 0.000) 0.253 23.678 ( 0.144 0.208 0.000) 0.253 23.685 ( -0.294 -0.091 0.000) 0.307 23.685 ( 0.294 -0.091 0.000) 0.307 32.264 ( -0.063 0.414 0.000) 0.419 32.264 ( 0.063 0.414 0.000) 0.419 32.282 ( -0.163 -0.334 0.000) 0.372 32.282 ( 0.163 -0.334 0.000) 0.372 32.309 ( -0.250 0.705 0.000) 0.748 32.309 ( 0.250 0.705 0.000) 0.748 32.328 ( -0.406 -0.110 0.000) 0.420 32.328 ( 0.406 -0.110 0.000) 0.420 42.136 ( -0.217 7.525 0.000) 7.528 42.136 ( 0.217 7.525 0.000) 7.528 42.388 ( -8.690 -1.404 0.000) 8.802 42.388 ( 8.690 -1.404 0.000) 8.802 42.844 ( -10.764 3.031 0.000) 11.183 42.844 ( 10.764 3.031 0.000) 11.183 42.993 ( -0.561 -3.870 0.000) 3.910 42.993 ( 0.561 -3.870 0.000) 3.910 43.283 ( -5.953 2.249 0.000) 6.363 43.283 ( 5.953 2.249 0.000) 6.363 43.554 ( -2.427 -8.504 0.000) 8.843 43.554 ( 2.427 -8.504 0.000) 8.843 43.736 ( -4.278 6.675 0.000) 7.929 43.736 ( 4.278 6.675 0.000) 7.929 44.014 ( -4.732 -6.167 0.000) 7.774 44.014 ( 4.732 -6.167 0.000) 7.774 ======================= Grid point 23 (11/24) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 5.734 -18.456 0.000) 19.326 1.432 ( 5.734 18.456 0.000) 19.326 1.454 ( 14.679 -10.968 0.000) 18.324 1.454 ( 14.679 10.968 0.000) 18.324 2.408 ( -4.785 -21.189 0.000) 21.723 2.408 ( -4.785 21.189 0.000) 21.723 2.433 ( -5.669 -5.247 0.000) 7.724 2.433 ( -5.669 5.247 0.000) 7.724 2.554 ( 3.886 -4.888 0.000) 6.244 2.554 ( 3.886 4.888 0.000) 6.244 2.743 ( -2.967 -6.371 0.000) 7.028 2.743 ( -2.967 6.371 0.000) 7.028 3.012 ( 4.744 -1.279 0.000) 4.914 3.012 ( 4.744 1.279 0.000) 4.914 3.158 ( 10.362 -3.572 0.000) 10.960 3.158 ( 10.362 3.572 0.000) 10.960 3.291 ( -7.466 -1.537 0.000) 7.623 3.291 ( -7.466 1.537 0.000) 7.623 3.513 ( -1.578 -6.817 0.000) 6.997 3.513 ( -1.578 6.817 0.000) 6.997 3.659 ( -0.042 -2.797 0.000) 2.798 3.659 ( -0.042 2.797 0.000) 2.798 3.760 ( -0.858 -2.554 0.000) 2.695 3.760 ( -0.858 2.554 0.000) 2.695 3.995 ( -7.400 -4.871 0.000) 8.859 3.995 ( -7.400 4.871 0.000) 8.859 4.092 ( 3.732 -9.006 0.000) 9.748 4.092 ( 3.732 9.006 0.000) 9.748 4.230 ( 8.152 -2.345 0.000) 8.482 4.230 ( 8.152 2.345 0.000) 8.482 4.446 ( 4.005 -4.337 0.000) 5.903 4.446 ( 4.005 4.337 0.000) 5.903 4.676 ( 7.923 -7.025 0.000) 10.589 4.676 ( 7.923 7.025 0.000) 10.589 4.704 ( -5.404 -0.490 0.000) 5.426 4.704 ( -5.404 0.490 0.000) 5.426 4.839 ( -2.810 -0.591 0.000) 2.871 4.839 ( -2.810 0.591 0.000) 2.871 4.933 ( -3.351 -3.627 0.000) 4.938 4.933 ( -3.351 3.627 0.000) 4.938 5.184 ( -3.021 -6.105 0.000) 6.812 5.184 ( -3.021 6.105 0.000) 6.812 5.220 ( 2.400 -5.764 0.000) 6.244 5.220 ( 2.400 5.764 0.000) 6.244 5.334 ( 8.392 -2.898 0.000) 8.879 5.334 ( 8.392 2.898 0.000) 8.879 5.351 ( -8.634 -5.062 0.000) 10.008 5.351 ( -8.634 5.062 0.000) 10.008 5.520 ( -4.086 -1.416 0.000) 4.325 5.520 ( -4.086 1.416 0.000) 4.325 5.852 ( 2.471 -9.025 0.000) 9.357 5.852 ( 2.471 9.025 0.000) 9.357 5.877 ( -0.273 -4.959 0.000) 4.966 5.877 ( -0.273 4.959 0.000) 4.966 5.972 ( -1.297 -3.179 0.000) 3.433 5.972 ( -1.297 3.179 0.000) 3.433 6.318 ( -3.127 -1.395 0.000) 3.424 6.318 ( -3.127 1.395 0.000) 3.424 6.329 ( -1.869 -4.315 0.000) 4.703 6.329 ( -1.869 4.315 0.000) 4.703 21.513 ( 0.486 -0.141 0.000) 0.506 21.513 ( 0.486 0.141 0.000) 0.506 21.523 ( -0.023 -0.137 0.000) 0.139 21.523 ( -0.023 0.137 0.000) 0.139 21.578 ( -0.142 -0.144 0.000) 0.202 21.578 ( -0.142 0.144 0.000) 0.202 21.585 ( -0.235 -1.269 0.000) 1.291 21.585 ( -0.235 1.269 0.000) 1.291 21.614 ( -0.140 -0.651 0.000) 0.666 21.614 ( -0.140 0.651 0.000) 0.666 21.626 ( 0.391 -0.528 0.000) 0.657 21.626 ( 0.391 0.528 0.000) 0.657 21.703 ( 0.375 -0.770 0.000) 0.857 21.703 ( 0.375 0.770 0.000) 0.857 21.748 ( -0.037 -0.107 0.000) 0.113 21.748 ( -0.037 0.107 0.000) 0.113 23.630 ( -0.071 -0.227 0.000) 0.238 23.630 ( -0.055 -0.164 0.000) 0.173 23.630 ( -0.060 0.170 0.000) 0.180 23.630 ( -0.064 0.222 0.000) 0.231 23.673 ( 0.142 -0.026 0.000) 0.144 23.673 ( 0.142 0.026 0.000) 0.144 23.687 ( 0.009 -0.310 0.000) 0.310 23.687 ( 0.009 0.310 0.000) 0.310 32.259 ( 0.373 -0.286 0.000) 0.470 32.259 ( 0.373 0.286 0.000) 0.470 32.278 ( -0.071 -0.224 0.000) 0.235 32.278 ( -0.071 0.224 0.000) 0.235 32.302 ( 0.397 -0.067 0.000) 0.402 32.302 ( 0.397 0.067 0.000) 0.402 32.329 ( 0.055 -0.359 0.000) 0.363 32.329 ( 0.055 0.359 0.000) 0.363 42.020 ( 5.876 -4.285 0.000) 7.273 42.020 ( 5.876 4.285 0.000) 7.273 42.331 ( 0.517 -13.250 0.000) 13.260 42.331 ( 0.517 13.250 0.000) 13.260 42.807 ( 0.821 -14.659 0.000) 14.682 42.807 ( 0.821 14.659 0.000) 14.682 43.189 ( 2.695 -4.355 0.000) 5.122 43.189 ( 2.695 4.355 0.000) 5.122 43.198 ( -5.235 -6.329 0.000) 8.213 43.198 ( -5.235 6.329 0.000) 8.213 43.518 ( -0.571 -1.888 0.000) 1.973 43.518 ( -0.571 1.888 0.000) 1.973 43.769 ( 0.352 -4.065 0.000) 4.080 43.769 ( 0.352 4.065 0.000) 4.080 44.128 ( -4.963 -5.245 0.000) 7.221 44.128 ( -4.963 5.245 0.000) 7.221 ======================= Grid point 25 (12/24) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 9.135 -15.530 0.000) 18.017 1.597 ( 9.135 15.530 0.000) 18.017 1.773 ( 11.206 -4.774 0.000) 12.181 1.773 ( 11.206 4.774 0.000) 12.181 2.243 ( -6.722 -9.889 0.000) 11.958 2.243 ( -6.722 9.889 0.000) 11.958 2.325 ( -4.296 -7.842 0.000) 8.942 2.325 ( -4.296 7.842 0.000) 8.942 2.700 ( 0.862 -11.556 0.000) 11.588 2.700 ( 0.862 11.556 0.000) 11.588 2.761 ( 11.881 -10.310 0.000) 15.731 2.761 ( 11.881 10.310 0.000) 15.731 2.938 ( -8.916 -4.010 0.000) 9.776 2.938 ( -8.916 4.010 0.000) 9.776 3.230 ( -2.860 -2.281 0.000) 3.658 3.230 ( -2.860 2.281 0.000) 3.658 3.360 ( 7.151 -2.607 0.000) 7.612 3.360 ( 7.151 2.607 0.000) 7.612 3.510 ( 1.877 -6.100 0.000) 6.382 3.510 ( 1.877 6.100 0.000) 6.382 3.684 ( -4.875 -5.300 0.000) 7.201 3.684 ( -4.875 5.300 0.000) 7.201 3.706 ( 4.317 -6.140 0.000) 7.506 3.706 ( 4.317 6.140 0.000) 7.506 3.863 ( -3.739 -6.103 0.000) 7.158 3.863 ( -3.739 6.103 0.000) 7.158 4.128 ( -2.765 -6.713 0.000) 7.260 4.128 ( -2.765 6.713 0.000) 7.260 4.388 ( 6.656 -2.280 0.000) 7.035 4.388 ( 6.656 2.280 0.000) 7.035 4.532 ( 3.953 -2.315 0.000) 4.581 4.532 ( 3.953 2.315 0.000) 4.581 4.653 ( 1.525 -5.249 0.000) 5.466 4.653 ( 1.525 5.249 0.000) 5.466 4.797 ( 0.866 -5.042 0.000) 5.116 4.797 ( 0.866 5.042 0.000) 5.116 4.815 ( 2.159 -0.930 0.000) 2.351 4.815 ( 2.159 0.930 0.000) 2.351 4.905 ( 0.548 -6.651 0.000) 6.674 4.905 ( 0.548 6.651 0.000) 6.674 5.076 ( -8.809 -8.863 0.000) 12.496 5.076 ( -8.809 8.863 0.000) 12.496 5.117 ( -8.668 -4.243 0.000) 9.651 5.117 ( -8.668 4.243 0.000) 9.651 5.272 ( 2.505 -7.323 0.000) 7.740 5.272 ( 2.505 7.323 0.000) 7.740 5.425 ( -4.693 -5.850 0.000) 7.500 5.425 ( -4.693 5.850 0.000) 7.500 5.511 ( 7.869 -3.478 0.000) 8.604 5.511 ( 7.869 3.478 0.000) 8.604 5.811 ( -5.437 -5.309 0.000) 7.599 5.811 ( -5.437 5.309 0.000) 7.599 5.919 ( 3.405 -8.386 0.000) 9.051 5.919 ( 3.405 8.386 0.000) 9.051 5.978 ( 1.256 -3.983 0.000) 4.177 5.978 ( 1.256 3.983 0.000) 4.177 6.247 ( -2.765 -1.493 0.000) 3.142 6.247 ( -2.765 1.493 0.000) 3.142 6.276 ( -2.827 -4.011 0.000) 4.907 6.276 ( -2.827 4.011 0.000) 4.907 21.526 ( 0.639 -0.350 0.000) 0.729 21.526 ( 0.639 0.350 0.000) 0.729 21.527 ( 0.347 -0.114 0.000) 0.365 21.527 ( 0.347 0.114 0.000) 0.365 21.574 ( -0.192 -0.112 0.000) 0.222 21.574 ( -0.192 0.112 0.000) 0.222 21.577 ( -0.494 -1.059 0.000) 1.169 21.577 ( -0.494 1.059 0.000) 1.169 21.613 ( 0.078 -1.010 0.000) 1.013 21.613 ( 0.078 1.010 0.000) 1.013 21.626 ( -0.352 -0.541 0.000) 0.646 21.626 ( -0.352 0.541 0.000) 0.646 21.718 ( 0.867 -0.629 0.000) 1.071 21.718 ( 0.867 0.629 0.000) 1.071 21.745 ( -0.278 -0.341 0.000) 0.440 21.745 ( -0.278 0.341 0.000) 0.440 23.628 ( -0.048 -0.201 0.000) 0.206 23.628 ( -0.048 0.201 0.000) 0.206 23.629 ( -0.050 -0.152 0.000) 0.160 23.629 ( -0.050 0.152 0.000) 0.160 23.677 ( 0.231 -0.080 0.000) 0.244 23.677 ( 0.231 0.080 0.000) 0.244 23.686 ( -0.112 -0.229 0.000) 0.255 23.686 ( -0.112 0.229 0.000) 0.255 32.267 ( 0.370 -0.353 0.000) 0.511 32.267 ( 0.370 0.353 0.000) 0.511 32.276 ( -0.087 -0.432 0.000) 0.441 32.276 ( -0.087 0.432 0.000) 0.441 32.312 ( 0.521 -0.294 0.000) 0.598 32.312 ( 0.521 0.294 0.000) 0.598 32.328 ( -0.134 -0.426 0.000) 0.447 32.328 ( -0.134 0.426 0.000) 0.447 42.171 ( 7.248 -4.053 0.000) 8.304 42.171 ( 7.248 4.053 0.000) 8.304 42.337 ( -0.372 -11.069 0.000) 11.075 42.337 ( -0.372 11.069 0.000) 11.075 42.838 ( 2.270 -10.453 0.000) 10.697 42.838 ( 2.270 10.453 0.000) 10.697 43.059 ( -7.084 -4.656 0.000) 8.477 43.059 ( -7.084 4.656 0.000) 8.477 43.271 ( 4.710 -6.851 0.000) 8.314 43.271 ( 4.710 6.851 0.000) 8.314 43.475 ( -3.436 -3.699 0.000) 5.049 43.475 ( -3.436 3.699 0.000) 5.049 43.798 ( 2.486 -5.769 0.000) 6.282 43.798 ( 2.486 5.769 0.000) 6.282 44.000 ( -6.284 -6.180 0.000) 8.814 44.000 ( -6.284 6.180 0.000) 8.814 ======================= Grid point 27 (13/24) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -7.515 -12.953 0.000) 14.975 1.792 ( 7.515 -12.953 0.000) 14.975 1.792 ( -7.515 12.953 0.000) 14.975 1.792 ( 7.515 12.953 0.000) 14.975 2.235 ( -4.145 -8.111 0.000) 9.109 2.235 ( 4.145 -8.111 0.000) 9.109 2.235 ( -4.145 8.111 0.000) 9.109 2.235 ( 4.145 8.111 0.000) 9.109 2.764 ( -5.961 -7.788 0.000) 9.808 2.764 ( 5.961 -7.788 0.000) 9.808 2.764 ( -5.961 7.788 0.000) 9.808 2.764 ( 5.961 7.788 0.000) 9.808 3.050 ( -12.762 -7.479 0.000) 14.792 3.050 ( 12.762 -7.479 0.000) 14.792 3.050 ( -12.762 7.479 0.000) 14.792 3.050 ( 12.762 7.479 0.000) 14.792 3.476 ( -4.659 -5.039 0.000) 6.863 3.476 ( 4.659 -5.039 0.000) 6.863 3.476 ( -4.659 5.039 0.000) 6.863 3.476 ( 4.659 5.039 0.000) 6.863 3.690 ( -4.387 -9.431 0.000) 10.402 3.690 ( 4.387 -9.431 0.000) 10.402 3.690 ( -4.387 9.431 0.000) 10.402 3.690 ( 4.387 9.431 0.000) 10.402 3.960 ( -9.995 -2.868 0.000) 10.398 3.960 ( -9.995 2.868 0.000) 10.398 3.960 ( 9.995 -2.868 0.000) 10.398 3.960 ( 9.995 2.868 0.000) 10.398 4.580 ( -4.663 -4.289 0.000) 6.335 4.580 ( 4.663 -4.289 0.000) 6.335 4.580 ( -4.663 4.289 0.000) 6.335 4.580 ( 4.663 4.289 0.000) 6.335 4.667 ( -4.940 -2.439 0.000) 5.509 4.667 ( -4.940 2.439 0.000) 5.509 4.667 ( 4.940 -2.439 0.000) 5.509 4.667 ( 4.940 2.439 0.000) 5.509 4.927 ( -4.908 -9.291 0.000) 10.508 4.927 ( 4.908 -9.291 0.000) 10.508 4.927 ( -4.908 9.291 0.000) 10.508 4.927 ( 4.908 9.291 0.000) 10.508 4.972 ( -6.168 -2.029 0.000) 6.493 4.972 ( -6.168 2.029 0.000) 6.493 4.972 ( 6.168 -2.029 0.000) 6.493 4.972 ( 6.168 2.029 0.000) 6.493 5.333 ( -3.487 -7.707 0.000) 8.459 5.333 ( 3.487 -7.707 0.000) 8.459 5.333 ( -3.487 7.707 0.000) 8.459 5.333 ( 3.487 7.707 0.000) 8.459 5.672 ( -7.099 -4.334 0.000) 8.317 5.672 ( 7.099 -4.334 0.000) 8.317 5.672 ( -7.099 4.334 0.000) 8.317 5.672 ( 7.099 4.334 0.000) 8.317 5.980 ( -1.619 -7.049 0.000) 7.233 5.980 ( 1.619 -7.049 0.000) 7.233 5.980 ( -1.619 7.049 0.000) 7.233 5.980 ( 1.619 7.049 0.000) 7.233 6.226 ( -1.124 -2.964 0.000) 3.170 6.226 ( 1.124 -2.964 0.000) 3.170 6.226 ( -1.124 2.964 0.000) 3.170 6.226 ( 1.124 2.964 0.000) 3.170 21.534 ( -0.079 -0.361 0.000) 0.369 21.534 ( 0.079 -0.361 0.000) 0.369 21.534 ( -0.079 0.361 0.000) 0.369 21.534 ( 0.079 0.361 0.000) 0.369 21.570 ( -0.038 -0.736 0.000) 0.737 21.570 ( 0.038 -0.736 0.000) 0.737 21.570 ( -0.038 0.736 0.000) 0.737 21.570 ( 0.038 0.736 0.000) 0.737 21.617 ( -0.332 -0.771 0.000) 0.840 21.617 ( 0.332 -0.771 0.000) 0.840 21.617 ( -0.332 0.771 0.000) 0.840 21.617 ( 0.332 0.771 0.000) 0.840 21.735 ( -0.668 -0.568 0.000) 0.877 21.735 ( 0.668 -0.568 0.000) 0.877 21.735 ( -0.668 0.568 0.000) 0.877 21.735 ( 0.668 0.568 0.000) 0.877 23.628 ( -0.021 -0.131 0.000) 0.133 23.628 ( 0.021 -0.131 0.000) 0.133 23.628 ( -0.021 0.131 0.000) 0.133 23.628 ( 0.021 0.131 0.000) 0.133 23.682 ( -0.222 -0.155 0.000) 0.271 23.682 ( 0.222 -0.155 0.000) 0.271 23.682 ( -0.222 0.155 0.000) 0.271 23.682 ( 0.222 0.155 0.000) 0.271 32.273 ( -0.198 -0.452 0.000) 0.493 32.273 ( 0.198 -0.452 0.000) 0.493 32.273 ( -0.198 0.452 0.000) 0.493 32.273 ( 0.198 0.452 0.000) 0.493 32.322 ( -0.404 -0.445 0.000) 0.601 32.322 ( 0.404 -0.445 0.000) 0.601 32.322 ( -0.404 0.445 0.000) 0.601 32.322 ( 0.404 0.445 0.000) 0.601 42.296 ( -3.834 -6.590 0.000) 7.624 42.296 ( 3.834 -6.590 0.000) 7.624 42.296 ( -3.834 6.590 0.000) 7.624 42.296 ( 3.834 6.590 0.000) 7.624 42.919 ( -5.398 -3.426 0.000) 6.393 42.919 ( 5.398 -3.426 0.000) 6.393 42.919 ( -5.398 3.426 0.000) 6.393 42.919 ( 5.398 3.426 0.000) 6.393 43.380 ( -5.092 -6.802 0.000) 8.497 43.380 ( 5.092 -6.802 0.000) 8.497 43.380 ( -5.092 6.802 0.000) 8.497 43.380 ( 5.092 6.802 0.000) 8.497 43.878 ( -4.857 -6.487 0.000) 8.104 43.878 ( 4.857 -6.487 0.000) 8.104 43.878 ( -4.857 6.487 0.000) 8.104 43.878 ( 4.857 6.487 0.000) 8.104 ======================= Grid point 57 (14/24) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 13.460 13.460 13.460) 23.314 0.991 ( 13.460 13.460 13.460) 23.314 1.228 ( 18.029 18.029 18.029) 31.227 1.831 ( 0.498 0.498 0.498) 0.863 1.940 ( -0.574 -0.574 -0.574) 0.995 1.940 ( -0.574 -0.574 -0.574) 0.995 2.324 ( 4.751 4.751 4.751) 8.229 2.325 ( 5.888 5.888 5.888) 10.199 2.325 ( 5.888 5.888 5.888) 10.199 2.627 ( -1.655 -1.655 -1.655) 2.866 2.964 ( 0.402 0.402 0.402) 0.696 2.964 ( 0.402 0.402 0.402) 0.696 3.158 ( -3.392 -3.392 -3.392) 5.875 3.196 ( -0.302 -0.302 -0.302) 0.523 3.196 ( -0.302 -0.302 -0.302) 0.523 3.219 ( 1.928 1.928 1.928) 3.339 3.256 ( -1.938 -1.938 -1.938) 3.356 3.256 ( -1.938 -1.938 -1.938) 3.356 3.438 ( -1.781 -1.781 -1.781) 3.085 3.546 ( -2.148 -2.148 -2.148) 3.720 3.546 ( -2.148 -2.148 -2.148) 3.720 3.718 ( -2.697 -2.697 -2.697) 4.671 3.770 ( 3.334 3.334 3.334) 5.774 3.770 ( 3.334 3.334 3.334) 5.774 3.816 ( 6.543 6.543 6.543) 11.332 3.956 ( 1.829 1.829 1.829) 3.168 3.956 ( 1.829 1.829 1.829) 3.168 4.235 ( -0.413 -0.413 -0.413) 0.715 4.235 ( -0.413 -0.413 -0.413) 0.715 4.314 ( -5.983 -5.983 -5.983) 10.363 4.580 ( -1.533 -1.533 -1.533) 2.655 4.580 ( -1.533 -1.533 -1.533) 2.655 4.766 ( -3.600 -3.600 -3.600) 6.236 4.766 ( -3.600 -3.600 -3.600) 6.236 4.784 ( -3.134 -3.134 -3.134) 5.427 4.815 ( -0.084 -0.084 -0.084) 0.146 4.815 ( -0.084 -0.084 -0.084) 0.146 4.888 ( -1.142 -1.142 -1.142) 1.978 4.906 ( -1.090 -1.090 -1.090) 1.887 4.906 ( -1.090 -1.090 -1.090) 1.887 5.076 ( -1.664 -1.664 -1.664) 2.883 5.113 ( 1.437 1.437 1.437) 2.488 5.114 ( 2.191 2.191 2.191) 3.794 5.114 ( 2.191 2.191 2.191) 3.794 5.344 ( 1.513 1.513 1.513) 2.620 5.402 ( 3.671 3.671 3.671) 6.359 5.402 ( 3.671 3.671 3.671) 6.359 5.482 ( -1.062 -1.062 -1.062) 1.840 5.482 ( -1.062 -1.062 -1.062) 1.840 5.532 ( 0.838 0.838 0.838) 1.451 5.639 ( 1.012 1.012 1.012) 1.752 5.813 ( 1.692 1.692 1.692) 2.931 5.813 ( 1.692 1.692 1.692) 2.931 5.824 ( -5.051 -5.051 -5.051) 8.749 6.105 ( -1.443 -1.443 -1.443) 2.499 6.105 ( -1.443 -1.443 -1.443) 2.499 6.150 ( -0.225 -0.225 -0.225) 0.390 6.407 ( -2.630 -2.630 -2.630) 4.556 6.407 ( -2.630 -2.630 -2.630) 4.556 6.465 ( -2.786 -2.786 -2.786) 4.826 21.524 ( 0.085 0.085 0.085) 0.146 21.524 ( 0.085 0.085 0.085) 0.146 21.524 ( -0.198 -0.198 -0.198) 0.342 21.530 ( 0.283 0.283 0.283) 0.490 21.530 ( 0.283 0.283 0.283) 0.490 21.576 ( 0.004 0.004 0.004) 0.008 21.576 ( 0.004 0.004 0.004) 0.008 21.600 ( 0.119 0.119 0.119) 0.206 21.600 ( 0.119 0.119 0.119) 0.206 21.612 ( -0.319 -0.319 -0.319) 0.552 21.640 ( 0.164 0.164 0.164) 0.283 21.640 ( 0.164 0.164 0.164) 0.283 21.678 ( 0.291 0.291 0.291) 0.504 21.733 ( -0.068 -0.068 -0.068) 0.118 21.737 ( 0.050 0.050 0.050) 0.087 21.737 ( 0.050 0.050 0.050) 0.087 23.623 ( 0.043 0.043 0.043) 0.075 23.623 ( 0.043 0.043 0.043) 0.075 23.636 ( -0.173 -0.173 -0.173) 0.299 23.640 ( -0.131 -0.131 -0.131) 0.227 23.673 ( 0.105 0.105 0.105) 0.182 23.673 ( 0.105 0.105 0.105) 0.182 23.676 ( 0.137 0.137 0.137) 0.237 23.695 ( -0.092 -0.092 -0.092) 0.160 32.264 ( -0.068 -0.068 -0.068) 0.119 32.265 ( 0.049 0.049 0.049) 0.085 32.265 ( 0.049 0.049 0.049) 0.085 32.296 ( 0.285 0.285 0.285) 0.494 32.296 ( 0.285 0.285 0.285) 0.494 32.297 ( 0.331 0.331 0.331) 0.573 32.303 ( 0.017 0.017 0.017) 0.030 32.331 ( 0.160 0.160 0.160) 0.277 41.908 ( 4.019 4.019 4.019) 6.960 41.908 ( 4.019 4.019 4.019) 6.960 42.255 ( 3.633 3.633 3.633) 6.292 42.255 ( 3.633 3.633 3.633) 6.292 42.879 ( -3.112 -3.112 -3.112) 5.390 42.879 ( -3.112 -3.112 -3.112) 5.390 43.093 ( 1.718 1.718 1.718) 2.975 43.199 ( -1.036 -1.036 -1.036) 1.795 43.386 ( -3.998 -3.998 -3.998) 6.925 43.386 ( -3.998 -3.998 -3.998) 6.925 43.550 ( 0.211 0.211 0.211) 0.366 43.550 ( 0.211 0.211 0.211) 0.366 43.720 ( 1.149 1.149 1.149) 1.989 43.851 ( -0.506 -0.506 -0.506) 0.876 43.851 ( -0.506 -0.506 -0.506) 0.876 44.266 ( -3.127 -3.127 -3.127) 5.416 ======================= Grid point 58 (15/24) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 11.126 10.755 11.071) 19.027 1.293 ( 11.145 10.441 14.031) 20.739 1.733 ( -4.249 6.189 4.953) 8.994 1.806 ( 19.674 5.669 1.600) 20.537 1.884 ( 0.224 4.845 2.148) 5.304 2.066 ( 10.419 -7.023 -1.751) 12.687 2.303 ( 0.735 -1.359 4.743) 4.988 2.454 ( 6.734 3.852 3.166) 8.379 2.550 ( 5.631 2.413 -7.846) 9.955 2.661 ( 2.355 -5.655 -0.945) 6.198 2.842 ( -10.186 2.778 3.645) 11.169 2.978 ( 0.242 2.959 1.462) 3.310 2.996 ( -10.260 -1.632 -0.171) 10.390 3.137 ( -0.897 5.601 -4.362) 7.156 3.181 ( -0.850 0.183 1.503) 1.736 3.221 ( -0.771 -6.843 -2.561) 7.347 3.257 ( -1.475 -3.691 4.198) 5.781 3.356 ( 4.143 0.087 2.606) 4.896 3.389 ( -6.406 0.697 -6.113) 8.882 3.474 ( 7.318 0.844 0.413) 7.378 3.584 ( 2.894 2.007 0.643) 3.580 3.643 ( -0.940 -1.155 1.172) 1.895 3.788 ( 0.557 2.671 -0.538) 2.781 3.894 ( 2.801 4.142 -6.167) 7.940 3.928 ( 2.409 1.905 3.787) 4.876 3.979 ( 2.491 1.221 10.316) 10.682 4.052 ( -6.787 2.276 -1.971) 7.425 4.173 ( 1.188 -5.645 0.375) 5.780 4.220 ( 4.229 -0.465 1.175) 4.414 4.282 ( 2.261 3.410 2.791) 4.953 4.471 ( -5.665 4.731 3.161) 8.029 4.521 ( -5.379 -0.387 0.204) 5.396 4.622 ( -4.777 -3.105 2.766) 6.333 4.713 ( -3.441 -1.448 -8.107) 8.926 4.746 ( -1.814 -3.455 -0.633) 3.953 4.774 ( -2.510 2.142 -0.399) 3.324 4.816 ( 1.583 -2.139 -4.482) 5.212 4.865 ( -0.847 -1.735 -1.089) 2.216 4.868 ( -0.817 -0.012 -1.291) 1.528 4.954 ( -0.533 -2.961 -0.458) 3.044 5.053 ( 1.247 -4.308 -3.674) 5.797 5.111 ( 1.049 -0.724 1.862) 2.256 5.171 ( 1.348 -4.296 1.762) 4.835 5.191 ( 3.099 1.094 -3.145) 4.549 5.346 ( 0.162 0.505 3.728) 3.766 5.362 ( -4.708 1.576 4.595) 6.765 5.425 ( 0.044 1.998 -1.542) 2.524 5.451 ( -2.842 5.823 -2.079) 6.805 5.560 ( 4.078 2.138 -1.917) 4.987 5.604 ( 1.194 1.898 0.660) 2.338 5.676 ( 4.904 -0.187 0.288) 4.916 5.711 ( 0.204 -3.155 -0.149) 3.165 5.857 ( 0.431 -4.110 0.823) 4.213 5.894 ( 3.971 0.573 -0.785) 4.089 6.005 ( -6.064 -1.451 1.664) 6.453 6.060 ( -3.075 1.628 -2.848) 4.496 6.202 ( 3.889 -2.837 -1.516) 5.047 6.326 ( -3.301 -2.060 -2.654) 4.710 6.355 ( -2.984 -2.608 -2.852) 4.883 6.386 ( -4.065 -2.467 -2.325) 5.293 21.519 ( -0.062 0.447 0.221) 0.503 21.523 ( -0.062 0.242 0.331) 0.415 21.526 ( 0.027 0.302 0.073) 0.312 21.531 ( -0.032 0.501 0.300) 0.585 21.552 ( 1.194 -0.163 0.148) 1.215 21.573 ( -0.091 -0.092 -0.024) 0.131 21.580 ( 0.141 -0.088 -0.089) 0.188 21.595 ( -0.134 -0.086 0.403) 0.433 21.604 ( -0.330 -0.333 -0.181) 0.503 21.611 ( 0.365 -0.027 0.130) 0.389 21.635 ( -0.499 0.154 0.033) 0.523 21.640 ( -0.180 0.227 -0.022) 0.290 21.690 ( 0.731 0.211 0.107) 0.769 21.723 ( -0.673 0.313 0.008) 0.742 21.740 ( 0.339 -0.288 -0.029) 0.445 21.744 ( 0.284 -0.112 -0.193) 0.361 23.624 ( 0.112 -0.023 0.011) 0.115 23.625 ( 0.141 -0.010 -0.001) 0.141 23.632 ( -0.163 -0.121 -0.144) 0.249 23.635 ( -0.226 -0.074 -0.089) 0.254 23.674 ( 0.061 0.122 0.144) 0.198 23.675 ( 0.041 0.207 0.082) 0.227 23.680 ( 0.274 0.007 0.096) 0.290 23.692 ( -0.209 -0.066 -0.055) 0.226 32.260 ( -0.078 0.321 0.295) 0.443 32.264 ( -0.118 -0.038 0.316) 0.339 32.275 ( 0.518 0.245 -0.145) 0.591 32.292 ( -0.239 0.833 0.128) 0.875 32.298 ( 0.102 -0.108 0.632) 0.649 32.302 ( -0.071 0.014 0.051) 0.089 32.316 ( 0.806 0.001 -0.010) 0.806 32.334 ( 0.006 0.125 0.131) 0.182 41.988 ( 4.054 5.345 5.279) 8.537 42.051 ( 6.432 1.888 4.081) 7.848 42.229 ( 0.546 7.106 4.437) 8.395 42.490 ( 11.721 0.126 0.606) 11.737 42.653 ( -10.297 2.481 1.286) 10.669 42.953 ( 3.091 -5.611 -2.962) 7.058 43.117 ( -6.572 0.444 -2.122) 6.920 43.138 ( 1.414 1.323 0.900) 2.135 43.238 ( -6.117 -6.061 3.234) 9.198 43.314 ( -3.838 -0.908 -6.662) 7.741 43.526 ( 0.669 2.517 0.157) 2.609 43.612 ( 0.656 -0.442 -4.357) 4.428 43.677 ( -1.045 2.862 1.425) 3.363 43.785 ( -2.806 -4.717 3.264) 6.385 43.962 ( 5.801 -3.432 -5.685) 8.818 44.183 ( -4.426 -3.833 -3.791) 6.975 ======================= Grid point 59 (16/24) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -5.060 3.726 10.295) 12.061 1.406 ( 5.060 3.726 10.295) 12.061 1.679 ( -5.955 13.444 5.612) 15.738 1.679 ( 5.955 13.444 5.612) 15.738 2.228 ( -8.417 -9.276 -2.422) 12.757 2.228 ( 8.417 -9.276 -2.422) 12.757 2.492 ( -21.740 0.198 -4.426) 22.187 2.492 ( 21.740 0.198 -4.426) 22.187 2.603 ( -2.705 2.794 2.062) 4.402 2.603 ( 2.705 2.794 2.062) 4.402 2.690 ( -1.055 -3.350 -0.997) 3.650 2.690 ( 1.055 -3.350 -0.997) 3.650 3.092 ( -3.998 4.805 -0.757) 6.296 3.092 ( 3.998 4.805 -0.757) 6.296 3.196 ( -1.808 3.388 5.185) 6.453 3.196 ( 1.808 3.388 5.185) 6.453 3.264 ( -2.883 -2.337 -2.033) 4.231 3.264 ( 2.883 -2.337 -2.033) 4.231 3.519 ( -6.714 -0.923 0.452) 6.792 3.519 ( 6.714 -0.923 0.452) 6.792 3.636 ( -2.836 2.117 2.836) 4.535 3.636 ( 2.836 2.117 2.836) 4.535 3.803 ( -4.590 1.959 -0.483) 5.014 3.803 ( 4.590 1.959 -0.483) 5.014 3.973 ( -3.488 -1.736 -6.686) 7.739 3.973 ( 3.488 -1.736 -6.686) 7.739 4.099 ( -3.939 0.152 5.715) 6.942 4.099 ( 3.939 0.152 5.715) 6.942 4.318 ( -2.356 6.468 5.592) 8.869 4.318 ( 2.356 6.468 5.592) 8.869 4.421 ( -5.248 -1.094 2.574) 5.947 4.421 ( 5.248 -1.094 2.574) 5.947 4.621 ( -5.075 -2.704 0.467) 5.770 4.621 ( 5.075 -2.704 0.467) 5.770 4.736 ( -0.872 0.669 -3.147) 3.333 4.736 ( 0.872 0.669 -3.147) 3.333 4.850 ( -0.565 -0.137 -1.429) 1.543 4.850 ( 0.565 -0.137 -1.429) 1.543 4.890 ( -3.410 -1.118 -2.571) 4.414 4.890 ( 3.410 -1.118 -2.571) 4.414 5.101 ( -2.320 -5.897 0.845) 6.393 5.101 ( 2.320 -5.897 0.845) 6.393 5.193 ( -1.593 -4.159 -1.956) 4.864 5.193 ( 1.593 -4.159 -1.956) 4.864 5.370 ( -0.792 1.551 1.012) 2.014 5.370 ( 0.792 1.551 1.012) 2.014 5.390 ( -2.375 4.703 -1.983) 5.629 5.390 ( 2.375 4.703 -1.983) 5.629 5.586 ( -0.667 4.919 -1.843) 5.295 5.586 ( 0.667 4.919 -1.843) 5.295 5.799 ( -4.042 -5.491 1.540) 6.990 5.799 ( 4.042 -5.491 1.540) 6.990 5.845 ( -6.538 -1.912 1.845) 7.057 5.845 ( 6.538 -1.912 1.845) 7.057 5.988 ( -3.557 1.817 -1.801) 4.381 5.988 ( 3.557 1.817 -1.801) 4.381 6.288 ( -2.950 -3.127 -1.829) 4.672 6.288 ( 2.950 -3.127 -1.829) 4.672 6.307 ( -1.332 -1.524 -2.965) 3.590 6.307 ( 1.332 -1.524 -2.965) 3.590 21.520 ( -0.121 0.578 0.389) 0.707 21.520 ( 0.121 0.578 0.389) 0.707 21.528 ( -0.177 0.499 0.166) 0.555 21.528 ( 0.177 0.499 0.166) 0.555 21.570 ( -0.344 -0.524 0.106) 0.636 21.570 ( 0.344 -0.524 0.106) 0.636 21.587 ( -0.629 -0.020 -0.184) 0.656 21.587 ( 0.629 -0.020 -0.184) 0.656 21.606 ( -0.536 -0.244 0.481) 0.760 21.606 ( 0.536 -0.244 0.481) 0.760 21.633 ( -0.327 0.250 -0.180) 0.449 21.633 ( 0.327 0.250 -0.180) 0.449 21.707 ( -0.827 0.310 0.040) 0.884 21.707 ( 0.827 0.310 0.040) 0.884 21.746 ( -0.120 -0.228 -0.190) 0.320 21.746 ( 0.120 -0.228 -0.190) 0.320 23.627 ( -0.079 -0.110 -0.015) 0.136 23.627 ( 0.079 -0.110 -0.015) 0.136 23.631 ( -0.124 -0.003 -0.094) 0.156 23.631 ( 0.124 -0.003 -0.094) 0.156 23.675 ( -0.029 0.171 0.120) 0.211 23.675 ( 0.029 0.171 0.120) 0.211 23.686 ( -0.295 -0.036 0.012) 0.298 23.686 ( 0.295 -0.036 0.012) 0.298 32.261 ( -0.158 0.235 0.366) 0.462 32.261 ( 0.158 0.235 0.366) 0.462 32.285 ( -0.421 0.523 0.052) 0.673 32.285 ( 0.421 0.523 0.052) 0.673 32.300 ( -0.103 -0.056 0.273) 0.298 32.300 ( 0.103 -0.056 0.273) 0.298 32.330 ( -0.402 0.052 0.068) 0.411 32.330 ( 0.402 0.052 0.068) 0.411 42.070 ( -3.053 4.558 5.956) 8.097 42.070 ( 3.053 4.558 5.956) 8.097 42.378 ( -11.214 3.515 1.176) 11.811 42.378 ( 11.214 3.515 1.176) 11.811 42.813 ( -13.870 0.621 0.735) 13.904 42.813 ( 13.870 0.621 0.735) 13.904 43.095 ( -4.277 -5.291 -0.303) 6.810 43.095 ( 4.277 -5.291 -0.303) 6.810 43.233 ( -3.459 0.911 -1.760) 3.987 43.233 ( 3.459 0.911 -1.760) 3.987 43.565 ( -2.691 3.056 -2.847) 4.968 43.565 ( 2.691 3.056 -2.847) 4.968 43.722 ( -3.036 -3.684 1.184) 4.919 43.722 ( 3.036 -3.684 1.184) 4.919 44.080 ( -5.138 -4.160 -4.619) 8.065 44.080 ( 5.138 -4.160 -4.619) 8.065 ======================= Grid point 65 (17/24) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 9.275 10.193 11.134) 17.717 1.594 ( 6.461 12.613 0.956) 14.204 1.833 ( 4.497 -1.406 3.225) 5.709 1.903 ( 7.195 -0.292 1.460) 7.347 1.992 ( 1.346 3.347 -3.670) 5.146 2.075 ( 10.541 14.724 3.522) 18.447 2.284 ( -8.003 -0.663 2.371) 8.373 2.426 ( -0.672 -7.045 -3.600) 7.940 2.562 ( 3.511 4.069 -1.026) 5.471 2.635 ( 1.491 0.936 1.057) 2.054 2.894 ( -11.118 0.080 0.200) 11.120 2.939 ( -3.509 -3.131 -1.455) 4.922 2.968 ( 0.588 -10.239 -4.224) 11.092 3.027 ( 3.136 -4.947 3.762) 6.961 3.148 ( -3.768 -0.428 -6.849) 7.829 3.244 ( 3.414 4.714 -4.412) 7.304 3.299 ( -0.938 2.321 7.025) 7.458 3.392 ( 5.877 4.938 4.728) 9.015 3.455 ( 3.455 2.691 4.054) 5.968 3.524 ( -0.434 6.331 1.112) 6.442 3.597 ( 1.749 -0.698 5.815) 6.112 3.667 ( 6.849 3.619 -3.232) 8.394 3.775 ( 0.243 -1.267 -0.075) 1.292 3.890 ( -0.749 -6.377 6.600) 9.208 3.913 ( -2.259 -2.560 3.368) 4.795 3.991 ( -3.524 -6.897 1.832) 7.959 4.064 ( -3.565 3.023 2.906) 5.503 4.193 ( 2.170 8.297 -0.823) 8.615 4.295 ( 1.044 3.979 -0.924) 4.216 4.360 ( 10.153 3.904 -3.739) 11.503 4.475 ( -4.289 -3.617 2.490) 6.138 4.526 ( -0.755 0.012 1.410) 1.600 4.570 ( -1.993 -0.012 -0.792) 2.145 4.686 ( -3.050 1.057 -3.942) 5.095 4.726 ( 2.401 -0.905 -2.527) 3.601 4.773 ( 2.537 0.306 -0.885) 2.704 4.783 ( 0.680 -4.426 -2.581) 5.168 4.817 ( -2.300 -0.672 -0.980) 2.588 4.861 ( -1.159 -0.013 -3.405) 3.596 4.930 ( -2.987 0.691 -2.247) 3.801 4.957 ( -1.175 -3.025 -4.083) 5.216 5.085 ( -3.888 -3.004 -3.410) 5.981 5.119 ( -3.740 0.124 1.867) 4.181 5.190 ( -1.640 -2.593 -4.342) 5.317 5.319 ( -1.742 -0.940 4.654) 5.057 5.393 ( -0.928 -0.035 1.780) 2.007 5.454 ( 2.693 1.573 3.792) 4.909 5.501 ( 2.818 -4.721 3.655) 6.603 5.587 ( 6.165 -2.845 0.669) 6.823 5.604 ( -0.236 -1.173 2.873) 3.112 5.655 ( -2.913 4.241 -1.553) 5.375 5.728 ( 1.943 5.969 -0.923) 6.345 5.857 ( -1.130 4.166 -0.244) 4.323 5.896 ( -1.248 -2.080 -1.452) 2.827 5.986 ( -0.904 0.027 0.094) 0.910 6.054 ( 1.113 -4.135 -1.863) 4.670 6.170 ( -0.532 1.950 -2.054) 2.882 6.261 ( -2.726 -3.322 -1.488) 4.548 6.290 ( -3.026 -3.421 -2.698) 5.305 6.320 ( -3.373 -3.300 -2.670) 5.422 21.526 ( 0.371 0.271 0.435) 0.632 21.529 ( 0.259 0.307 0.417) 0.579 21.531 ( 0.424 0.148 0.310) 0.546 21.543 ( 0.770 -0.085 0.589) 0.973 21.553 ( -0.105 0.857 0.157) 0.878 21.574 ( -0.266 0.091 0.210) 0.351 21.577 ( 0.095 -0.086 0.107) 0.167 21.595 ( -0.490 -0.437 0.037) 0.658 21.599 ( 0.049 0.349 0.391) 0.526 21.614 ( 0.027 0.318 -0.154) 0.355 21.634 ( -0.252 -0.449 -0.037) 0.517 21.635 ( -0.245 -0.436 0.017) 0.500 21.699 ( 0.690 0.601 -0.401) 0.999 21.727 ( 0.184 -0.397 -0.219) 0.489 21.733 ( -0.352 0.130 -0.200) 0.425 21.743 ( -0.041 -0.055 -0.529) 0.534 23.625 ( 0.039 0.067 0.011) 0.078 23.626 ( 0.041 0.072 -0.029) 0.087 23.630 ( -0.085 -0.122 -0.117) 0.189 23.633 ( -0.153 -0.172 -0.056) 0.236 23.677 ( 0.118 0.113 0.151) 0.222 23.679 ( 0.213 0.058 0.058) 0.228 23.681 ( 0.025 0.168 0.054) 0.179 23.690 ( -0.162 -0.147 -0.036) 0.222 32.265 ( 0.198 0.177 0.278) 0.384 32.269 ( 0.048 0.366 0.396) 0.541 32.278 ( 0.461 0.095 0.220) 0.519 32.292 ( -0.097 -0.288 0.737) 0.797 32.303 ( 0.110 0.217 -0.099) 0.263 32.313 ( 0.118 0.549 -0.110) 0.572 32.316 ( 0.452 0.174 -0.041) 0.486 32.335 ( -0.073 -0.066 0.120) 0.155 42.132 ( 6.973 5.142 5.044) 10.025 42.144 ( 4.033 8.066 4.192) 9.945 42.319 ( 3.169 0.668 7.393) 8.071 42.534 ( 1.230 0.744 -1.285) 1.928 42.666 ( 2.108 1.296 4.360) 5.013 42.908 ( -0.082 2.506 -4.840) 5.451 43.058 ( -3.260 -7.172 2.045) 8.139 43.121 ( -9.535 -2.423 -1.254) 9.918 43.189 ( 2.404 1.868 0.908) 3.177 43.294 ( 0.972 -0.875 -6.984) 7.106 43.521 ( -1.492 -5.245 0.582) 5.484 43.541 ( -0.845 -2.372 -1.618) 2.994 43.693 ( 0.469 1.005 1.508) 1.871 43.826 ( -5.844 6.202 -2.637) 8.920 43.868 ( 4.137 -4.909 -4.629) 7.915 44.082 ( -5.264 -5.329 -3.653) 8.333 ======================= Grid point 66 (18/24) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -5.859 10.818 6.358) 13.848 1.574 ( 5.859 10.818 6.358) 13.848 1.930 ( -4.388 5.323 -1.399) 7.039 1.930 ( 4.388 5.323 -1.399) 7.039 2.081 ( -9.423 -1.535 0.493) 9.560 2.081 ( 9.423 -1.535 0.493) 9.560 2.383 ( -8.290 -8.828 -3.472) 12.598 2.383 ( 8.290 -8.828 -3.472) 12.598 2.627 ( -7.820 2.271 -1.442) 8.269 2.627 ( 7.820 2.271 -1.442) 8.269 2.765 ( -7.480 7.034 3.727) 10.923 2.765 ( 7.480 7.034 3.727) 10.923 3.034 ( -4.651 -6.768 -6.568) 10.516 3.034 ( 4.651 -6.768 -6.568) 10.516 3.196 ( -5.783 -3.457 3.458) 7.573 3.196 ( 5.783 -3.457 3.458) 7.573 3.373 ( -4.362 8.269 1.244) 9.431 3.373 ( 4.362 8.269 1.244) 9.431 3.521 ( -2.810 3.477 4.070) 6.046 3.521 ( 2.810 3.477 4.070) 6.046 3.709 ( -7.895 -0.859 7.941) 11.231 3.709 ( 7.895 -0.859 7.941) 11.231 3.806 ( -1.246 -0.339 1.640) 2.088 3.806 ( 1.246 -0.339 1.640) 2.088 3.915 ( -1.656 -0.797 -3.439) 3.899 3.915 ( 1.656 -0.797 -3.439) 3.899 4.101 ( -8.392 -2.203 3.283) 9.277 4.101 ( 8.392 -2.203 3.283) 9.277 4.405 ( -5.312 2.315 -0.929) 5.868 4.405 ( 5.312 2.315 -0.929) 5.868 4.484 ( -3.577 6.659 -0.305) 7.565 4.484 ( 3.577 6.659 -0.305) 7.565 4.592 ( -5.797 0.026 -5.066) 7.699 4.592 ( 5.797 0.026 -5.066) 7.699 4.747 ( -2.966 0.812 -0.016) 3.075 4.747 ( 2.966 0.812 -0.016) 3.075 4.814 ( -1.800 -2.691 0.070) 3.238 4.814 ( 1.800 -2.691 0.070) 3.238 4.903 ( -5.261 1.579 -1.836) 5.791 4.903 ( 5.261 1.579 -1.836) 5.791 4.972 ( -4.215 -5.849 -4.682) 8.596 4.972 ( 4.215 -5.849 -4.682) 8.596 5.111 ( -3.359 -3.862 -1.661) 5.381 5.111 ( 3.359 -3.862 -1.661) 5.381 5.340 ( -2.544 -0.550 4.922) 5.568 5.340 ( 2.544 -0.550 4.922) 5.568 5.535 ( -2.917 5.066 0.034) 5.846 5.535 ( 2.917 5.066 0.034) 5.846 5.588 ( -0.599 -5.785 3.333) 6.704 5.588 ( 0.599 -5.785 3.333) 6.704 5.731 ( -4.710 -0.576 -1.651) 5.024 5.731 ( 4.710 -0.576 -1.651) 5.024 5.833 ( -1.645 3.264 1.125) 3.824 5.833 ( 1.645 3.264 1.125) 3.824 6.029 ( -2.796 0.783 -2.382) 3.755 6.029 ( 2.796 0.783 -2.382) 3.755 6.205 ( -2.964 -3.390 -1.377) 4.709 6.205 ( 2.964 -3.390 -1.377) 4.709 6.262 ( -1.320 -2.623 -2.751) 4.023 6.262 ( 1.320 -2.623 -2.751) 4.023 21.531 ( -0.070 0.449 0.437) 0.630 21.531 ( 0.070 0.449 0.437) 0.630 21.544 ( -0.635 0.585 0.454) 0.975 21.544 ( 0.635 0.585 0.454) 0.975 21.561 ( -0.764 -0.052 0.370) 0.851 21.561 ( 0.764 -0.052 0.370) 0.851 21.584 ( -0.464 -0.271 0.208) 0.577 21.584 ( 0.464 -0.271 0.208) 0.577 21.607 ( -0.582 0.251 0.215) 0.670 21.607 ( 0.582 0.251 0.215) 0.670 21.631 ( -0.139 -0.441 -0.163) 0.490 21.631 ( 0.139 -0.441 -0.163) 0.490 21.716 ( -0.809 0.507 -0.453) 1.057 21.716 ( 0.809 0.507 -0.453) 1.057 21.739 ( -0.340 -0.437 -0.510) 0.753 21.739 ( 0.340 -0.437 -0.510) 0.753 23.626 ( -0.050 0.016 -0.009) 0.053 23.626 ( 0.050 0.016 -0.009) 0.053 23.630 ( -0.084 -0.102 -0.080) 0.155 23.630 ( 0.084 -0.102 -0.080) 0.155 23.679 ( -0.101 0.190 0.082) 0.230 23.679 ( 0.101 0.190 0.082) 0.230 23.685 ( -0.250 -0.085 0.025) 0.265 23.685 ( 0.250 -0.085 0.025) 0.265 32.268 ( -0.093 0.441 0.404) 0.605 32.268 ( 0.093 0.441 0.404) 0.605 32.288 ( -0.314 -0.302 0.474) 0.644 32.288 ( 0.314 -0.302 0.474) 0.644 32.308 ( -0.290 0.701 -0.133) 0.771 32.308 ( 0.290 0.701 -0.133) 0.771 32.329 ( -0.478 -0.151 0.040) 0.503 32.329 ( 0.478 -0.151 0.040) 0.503 42.204 ( -0.901 7.431 6.001) 9.594 42.204 ( 0.901 7.431 6.001) 9.594 42.429 ( -7.476 -0.035 3.458) 8.237 42.429 ( 7.476 -0.035 3.458) 8.237 42.844 ( -10.280 2.503 -0.027) 10.580 42.844 ( 10.280 2.503 -0.027) 10.580 42.989 ( -1.976 -4.254 -0.620) 4.731 42.989 ( 1.976 -4.254 -0.620) 4.731 43.261 ( -3.308 2.384 -1.666) 4.405 43.261 ( 3.308 2.384 -1.666) 4.405 43.522 ( -1.241 -7.219 -2.975) 7.906 43.522 ( 1.241 -7.219 -2.975) 7.906 43.726 ( -3.071 4.519 -0.645) 5.501 43.726 ( 3.071 4.519 -0.645) 5.501 43.969 ( -5.080 -5.772 -3.957) 8.648 43.969 ( 5.080 -5.772 -3.957) 8.648 ======================= Grid point 74 (19/24) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 9.503 -9.409 2.643) 13.632 1.627 ( 9.503 9.409 2.643) 13.632 1.843 ( 6.826 -5.429 5.441) 10.280 1.843 ( 6.826 5.429 5.441) 10.280 2.152 ( -3.067 -10.222 -5.792) 12.143 2.152 ( -3.067 10.222 -5.792) 12.143 2.339 ( -7.313 -5.792 -0.702) 9.356 2.339 ( -7.313 5.792 -0.702) 9.356 2.660 ( 2.233 -11.066 -2.816) 11.635 2.660 ( 2.233 11.066 -2.816) 11.635 2.796 ( 8.479 -8.432 2.479) 12.212 2.796 ( 8.479 8.432 2.479) 12.212 2.942 ( -7.033 -3.930 0.223) 8.059 2.942 ( -7.033 3.930 0.223) 8.059 3.211 ( -3.538 -4.348 0.125) 5.607 3.211 ( -3.538 4.348 0.125) 5.607 3.384 ( 6.782 -5.283 1.971) 8.820 3.384 ( 6.782 5.283 1.971) 8.820 3.588 ( 4.520 -5.357 5.108) 8.673 3.588 ( 4.520 5.357 5.108) 8.673 3.694 ( -1.045 -4.180 2.357) 4.911 3.694 ( -1.045 4.180 2.357) 4.911 3.754 ( 1.158 -6.172 3.051) 6.982 3.754 ( 1.158 6.172 3.051) 6.982 3.860 ( -2.567 -4.505 0.251) 5.191 3.860 ( -2.567 4.505 0.251) 5.191 4.185 ( -2.362 -6.282 3.616) 7.624 4.185 ( -2.362 6.282 3.616) 7.624 4.376 ( 2.065 -4.456 -2.058) 5.325 4.376 ( 2.065 4.456 -2.058) 5.325 4.491 ( 3.740 -6.791 -2.849) 8.260 4.491 ( 3.740 6.791 -2.849) 8.260 4.634 ( 2.314 -7.155 -3.153) 8.154 4.634 ( 2.314 7.155 -3.153) 8.154 4.723 ( 1.979 -0.625 -2.446) 3.208 4.723 ( 1.979 0.625 -2.446) 3.208 4.821 ( -3.425 -2.540 -1.812) 4.633 4.821 ( -3.425 2.540 -1.812) 4.633 4.876 ( 2.604 -5.200 0.793) 5.869 4.876 ( 2.604 5.200 0.793) 5.869 5.002 ( -8.881 -6.173 -6.831) 12.793 5.002 ( -8.881 6.173 -6.831) 12.793 5.118 ( -4.420 -2.511 -0.389) 5.098 5.118 ( -4.420 2.511 -0.389) 5.098 5.348 ( 1.887 -4.046 6.183) 7.627 5.348 ( 1.887 4.046 6.183) 7.627 5.463 ( 1.289 -5.178 1.598) 5.570 5.463 ( 1.289 5.178 1.598) 5.570 5.557 ( 1.431 -2.918 4.600) 5.633 5.557 ( 1.431 2.918 4.600) 5.633 5.780 ( -3.793 -4.739 -3.148) 6.838 5.780 ( -3.793 4.739 -3.148) 6.838 5.906 ( 3.297 -5.258 -1.617) 6.413 5.906 ( 3.297 5.258 -1.617) 6.413 5.966 ( 0.194 -2.658 -0.236) 2.676 5.966 ( 0.194 2.658 -0.236) 2.676 6.231 ( -2.892 -1.204 -1.542) 3.491 6.231 ( -2.892 1.204 -1.542) 3.491 6.244 ( -2.635 -3.737 -2.698) 5.309 6.244 ( -2.635 3.737 -2.698) 5.309 21.531 ( 0.570 -0.139 0.501) 0.771 21.531 ( 0.570 0.139 0.501) 0.771 21.536 ( 0.490 -0.396 0.751) 0.980 21.536 ( 0.490 0.396 0.751) 0.980 21.571 ( -0.003 -0.425 -0.167) 0.456 21.571 ( -0.003 0.425 -0.167) 0.456 21.582 ( -0.348 -0.604 0.305) 0.761 21.582 ( -0.348 0.604 0.305) 0.761 21.613 ( 0.168 -0.777 -0.008) 0.795 21.613 ( 0.168 0.777 -0.008) 0.795 21.627 ( -0.441 -0.398 0.041) 0.596 21.627 ( -0.441 0.398 0.041) 0.596 21.713 ( 0.568 -0.712 -0.346) 0.974 21.713 ( 0.568 0.712 -0.346) 0.974 21.739 ( -0.418 -0.251 -0.524) 0.715 21.739 ( -0.418 0.251 -0.524) 0.715 23.627 ( 0.005 -0.095 -0.072) 0.119 23.627 ( 0.005 0.095 -0.072) 0.119 23.629 ( -0.092 -0.135 -0.019) 0.164 23.629 ( -0.092 0.135 -0.019) 0.164 23.678 ( 0.194 -0.060 0.119) 0.235 23.678 ( 0.194 0.060 0.119) 0.235 23.686 ( -0.088 -0.214 -0.011) 0.232 23.686 ( -0.088 0.214 -0.011) 0.232 32.270 ( 0.438 -0.209 0.294) 0.568 32.270 ( 0.438 0.209 0.294) 0.568 32.284 ( -0.159 -0.400 0.644) 0.775 32.284 ( -0.159 0.400 0.644) 0.775 32.310 ( 0.571 -0.307 -0.190) 0.676 32.310 ( 0.571 0.307 -0.190) 0.676 32.329 ( -0.163 -0.488 0.035) 0.516 32.329 ( -0.163 0.488 0.035) 0.516 42.225 ( 7.597 -2.644 4.902) 9.420 42.225 ( 7.597 2.644 4.902) 9.420 42.397 ( 0.098 -8.660 5.018) 10.009 42.397 ( 0.098 8.660 5.018) 10.009 42.839 ( 1.980 -10.302 0.143) 10.492 42.839 ( 1.980 10.302 0.143) 10.492 43.030 ( -5.432 -5.266 -2.706) 8.035 43.030 ( -5.432 5.266 -2.706) 8.035 43.252 ( 3.643 -3.199 -1.220) 4.999 43.252 ( 3.643 3.199 -1.220) 4.999 43.477 ( -5.097 -1.719 -0.314) 5.388 43.477 ( -5.097 1.719 -0.314) 5.388 43.763 ( 2.728 -4.483 -2.714) 5.909 43.763 ( 2.728 4.483 -2.714) 5.909 43.960 ( -5.962 -5.982 -3.538) 9.157 43.960 ( -5.962 5.982 -3.538) 9.157 ======================= Grid point 76 (20/24) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -7.344 -10.354 1.537) 12.787 1.818 ( 6.550 -10.220 1.537) 12.236 1.818 ( -6.550 10.220 1.537) 12.236 1.818 ( 7.344 10.354 1.537) 12.787 2.199 ( -4.761 -7.427 -2.637) 9.208 2.199 ( 1.889 -7.098 -2.637) 7.804 2.199 ( -1.889 7.098 -2.637) 7.804 2.199 ( 4.761 7.427 -2.637) 9.208 2.745 ( -5.721 -7.417 -2.325) 9.651 2.745 ( 4.932 -7.274 -2.325) 9.091 2.745 ( -4.932 7.274 -2.325) 9.091 2.745 ( 5.721 7.417 -2.325) 9.651 3.063 ( -9.549 -7.862 3.097) 12.751 3.063 ( 6.375 -7.012 3.097) 9.970 3.063 ( -6.375 7.012 3.097) 9.970 3.063 ( 9.549 7.862 3.097) 12.751 3.517 ( -6.649 -6.112 2.525) 9.377 3.517 ( 6.455 -6.060 2.525) 9.207 3.517 ( -6.455 6.060 2.525) 9.207 3.517 ( 6.649 6.112 2.525) 9.377 3.740 ( -4.659 -6.848 4.177) 9.276 3.740 ( 4.219 -6.776 4.177) 9.009 3.740 ( -4.219 6.776 4.177) 9.009 3.740 ( 4.659 6.848 4.177) 9.276 3.991 ( -11.093 -6.133 2.322) 12.887 3.991 ( -2.099 -2.819 2.322) 4.213 3.991 ( 2.099 2.819 2.322) 4.213 3.991 ( 11.093 6.133 2.322) 12.887 4.496 ( -4.213 -5.043 -6.519) 9.256 4.496 ( 0.834 -4.601 -6.519) 8.022 4.496 ( -0.834 4.601 -6.519) 8.022 4.496 ( 4.213 5.043 -6.519) 9.256 4.688 ( -5.595 -6.902 0.194) 8.887 4.688 ( 4.068 -6.629 0.194) 7.780 4.688 ( -4.068 6.629 0.194) 7.780 4.688 ( 5.595 6.902 0.194) 8.887 4.836 ( -4.989 -3.833 -5.088) 8.091 4.836 ( 1.936 -3.067 -5.088) 6.249 4.836 ( -1.936 3.067 -5.088) 6.249 4.836 ( 4.989 3.833 -5.088) 8.091 4.994 ( -5.898 -5.513 1.333) 8.182 4.994 ( 2.494 -4.822 1.333) 5.590 4.994 ( -2.494 4.822 1.333) 5.590 4.994 ( 5.898 5.513 1.333) 8.182 5.415 ( -3.552 -6.694 5.663) 9.460 5.415 ( 3.541 -6.692 5.663) 9.455 5.415 ( -3.541 6.692 5.663) 9.455 5.415 ( 3.552 6.694 5.663) 9.460 5.663 ( -6.197 -4.652 -0.742) 7.784 5.663 ( 6.176 -4.645 -0.742) 7.764 5.663 ( -6.176 4.645 -0.742) 7.764 5.663 ( 6.197 4.652 -0.742) 7.784 5.962 ( -1.155 -6.257 -1.533) 6.545 5.962 ( 1.008 -6.251 -1.533) 6.514 5.962 ( -1.008 6.251 -1.533) 6.514 5.962 ( 1.155 6.257 -1.533) 6.545 6.202 ( -0.621 -2.461 -2.038) 3.255 6.202 ( 0.620 -2.461 -2.038) 3.255 6.202 ( -0.620 2.461 -2.038) 3.255 6.202 ( 0.621 2.461 -2.038) 3.255 21.541 ( -0.171 -0.450 0.636) 0.798 21.541 ( 0.162 -0.449 0.636) 0.795 21.541 ( -0.162 0.449 0.636) 0.795 21.541 ( 0.171 0.450 0.636) 0.798 21.573 ( -0.276 -0.731 0.265) 0.826 21.573 ( 0.200 -0.725 0.265) 0.798 21.573 ( -0.200 0.725 0.265) 0.798 21.573 ( 0.276 0.731 0.265) 0.826 21.617 ( -0.263 -0.697 0.012) 0.745 21.617 ( 0.188 -0.690 0.012) 0.716 21.617 ( -0.188 0.690 0.012) 0.716 21.617 ( 0.263 0.697 0.012) 0.745 21.728 ( -0.646 -0.554 -0.649) 1.070 21.728 ( 0.478 -0.510 -0.649) 0.954 21.728 ( -0.478 0.510 -0.649) 0.954 21.728 ( 0.646 0.554 -0.649) 1.070 23.627 ( -0.050 -0.108 -0.041) 0.126 23.627 ( 0.047 -0.108 -0.041) 0.124 23.627 ( -0.047 0.108 -0.041) 0.124 23.627 ( 0.050 0.108 -0.041) 0.126 23.683 ( -0.182 -0.141 0.049) 0.235 23.683 ( 0.142 -0.130 0.049) 0.199 23.683 ( -0.142 0.130 0.049) 0.199 23.683 ( 0.182 0.141 0.049) 0.235 32.279 ( -0.272 -0.464 0.462) 0.709 32.279 ( 0.111 -0.447 0.462) 0.653 32.279 ( -0.111 0.447 0.462) 0.653 32.279 ( 0.272 0.464 0.462) 0.709 32.322 ( -0.487 -0.517 -0.060) 0.713 32.322 ( 0.471 -0.513 -0.060) 0.699 32.322 ( -0.471 0.513 -0.060) 0.699 32.322 ( 0.487 0.517 -0.060) 0.713 42.358 ( -3.403 -5.910 5.482) 8.750 42.358 ( 1.901 -5.739 5.482) 8.161 42.358 ( -1.901 5.739 5.482) 8.161 42.358 ( 3.403 5.910 5.482) 8.750 42.911 ( -4.575 -3.233 -0.843) 5.665 42.911 ( 1.422 -2.392 -0.843) 2.908 42.911 ( -1.422 2.392 -0.843) 2.908 42.911 ( 4.575 3.233 -0.843) 5.665 43.358 ( -4.314 -6.446 -1.843) 7.972 43.358 ( 0.901 -6.091 -1.843) 6.427 43.358 ( -0.901 6.091 -1.843) 6.427 43.358 ( 4.314 6.446 -1.843) 7.972 43.842 ( -4.667 -5.814 -3.004) 8.038 43.842 ( 4.665 -5.814 -3.004) 8.036 43.842 ( -4.665 5.814 -3.004) 8.036 43.842 ( 4.667 5.814 -3.004) 8.038 ======================= Grid point 114 (21/24) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 5.773 5.773 5.773) 10.000 1.634 ( 5.773 5.773 5.773) 10.000 1.922 ( -0.000 -0.000 -0.000) 0.000 1.922 ( -0.000 -0.000 -0.000) 0.000 1.956 ( 4.497 4.497 4.497) 7.788 2.193 ( 6.441 6.441 6.441) 11.156 2.278 ( -5.365 -5.365 -5.365) 9.292 2.278 ( -5.365 -5.365 -5.365) 9.292 2.537 ( 0.428 0.428 0.428) 0.741 2.704 ( 2.303 2.303 2.303) 3.989 2.844 ( -5.741 -5.741 -5.741) 9.944 2.844 ( -5.741 -5.741 -5.741) 9.944 2.932 ( 1.717 1.717 1.717) 2.974 3.144 ( 2.163 2.163 2.163) 3.746 3.144 ( 3.097 3.097 3.097) 5.363 3.144 ( 3.027 3.027 3.027) 5.244 3.473 ( -0.355 -0.355 -0.355) 0.615 3.494 ( 4.476 4.476 4.476) 7.753 3.494 ( 4.476 4.476 4.476) 7.753 3.628 ( 5.445 5.445 5.445) 9.431 3.628 ( 5.445 5.445 5.445) 9.431 3.650 ( 0.265 0.265 0.265) 0.459 3.869 ( 0.922 0.922 0.922) 1.597 3.869 ( 0.922 0.922 0.922) 1.597 3.988 ( -2.991 -2.991 -2.991) 5.180 4.015 ( -2.171 -2.171 -2.171) 3.760 4.015 ( -2.171 -2.171 -2.171) 3.760 4.280 ( 1.412 1.412 1.412) 2.445 4.280 ( 1.412 1.412 1.412) 2.445 4.306 ( 3.497 3.497 3.497) 6.057 4.502 ( -3.852 -3.852 -3.852) 6.671 4.502 ( -3.852 -3.852 -3.852) 6.671 4.515 ( -3.520 -3.520 -3.520) 6.097 4.654 ( 0.069 0.069 0.069) 0.120 4.654 ( 0.069 0.069 0.069) 0.120 4.730 ( -2.582 -2.582 -2.582) 4.472 4.771 ( 0.848 0.848 0.848) 1.470 4.771 ( 0.848 0.848 0.848) 1.470 4.875 ( -3.587 -3.587 -3.587) 6.214 4.886 ( 1.465 1.465 1.465) 2.538 4.886 ( 1.465 1.465 1.465) 2.538 4.961 ( -7.007 -7.007 -7.007) 12.136 5.147 ( -0.576 -0.576 -0.576) 0.998 5.147 ( -0.576 -0.576 -0.576) 0.998 5.348 ( 1.465 1.465 1.465) 2.537 5.506 ( 1.938 1.938 1.938) 3.357 5.506 ( 1.938 1.938 1.938) 3.357 5.542 ( -1.422 -1.422 -1.422) 2.463 5.594 ( 1.311 1.311 1.311) 2.271 5.594 ( 1.311 1.311 1.311) 2.271 5.696 ( 0.601 0.601 0.601) 1.041 5.713 ( 1.195 1.195 1.195) 2.070 5.859 ( -0.189 -0.189 -0.189) 0.327 5.859 ( -0.189 -0.189 -0.189) 0.327 5.997 ( -1.540 -1.540 -1.540) 2.667 5.997 ( -1.540 -1.540 -1.540) 2.667 6.137 ( -0.108 -0.108 -0.108) 0.187 6.219 ( -2.657 -2.657 -2.657) 4.602 6.219 ( -2.657 -2.657 -2.657) 4.602 6.254 ( -3.259 -3.259 -3.259) 5.645 21.540 ( 0.450 0.450 0.450) 0.779 21.540 ( 0.450 0.450 0.450) 0.779 21.540 ( 0.770 0.770 0.770) 1.333 21.556 ( 0.318 0.318 0.318) 0.550 21.556 ( 0.318 0.318 0.318) 0.550 21.579 ( 0.150 0.150 0.150) 0.260 21.579 ( 0.150 0.150 0.150) 0.260 21.593 ( -0.241 -0.241 -0.241) 0.417 21.609 ( 0.156 0.156 0.156) 0.270 21.609 ( 0.156 0.156 0.156) 0.270 21.631 ( -0.329 -0.329 -0.329) 0.570 21.631 ( -0.329 -0.329 -0.329) 0.570 21.695 ( 0.215 0.215 0.215) 0.373 21.723 ( -0.308 -0.308 -0.308) 0.534 21.728 ( -0.419 -0.419 -0.419) 0.726 21.728 ( -0.419 -0.419 -0.419) 0.726 23.625 ( 0.025 0.025 0.025) 0.043 23.625 ( 0.025 0.025 0.025) 0.043 23.628 ( -0.071 -0.071 -0.071) 0.123 23.630 ( -0.126 -0.126 -0.126) 0.218 23.680 ( 0.111 0.111 0.111) 0.192 23.680 ( 0.111 0.111 0.111) 0.192 23.682 ( 0.064 0.064 0.064) 0.111 23.688 ( -0.105 -0.105 -0.105) 0.183 32.272 ( 0.338 0.338 0.338) 0.585 32.282 ( 0.406 0.406 0.406) 0.702 32.282 ( 0.406 0.406 0.406) 0.702 32.300 ( -0.041 -0.041 -0.041) 0.070 32.310 ( 0.149 0.149 0.149) 0.257 32.310 ( 0.149 0.149 0.149) 0.257 32.314 ( 0.109 0.109 0.109) 0.189 32.335 ( -0.137 -0.137 -0.137) 0.238 42.269 ( 6.752 6.752 6.752) 11.694 42.269 ( 6.752 6.752 6.752) 11.694 42.499 ( 2.844 2.844 2.844) 4.926 42.499 ( 2.844 2.844 2.844) 4.926 42.788 ( 0.950 0.950 0.950) 1.646 42.788 ( 0.950 0.950 0.950) 1.646 43.058 ( -5.162 -5.162 -5.162) 8.941 43.058 ( -5.162 -5.162 -5.162) 8.941 43.183 ( 1.513 1.513 1.513) 2.621 43.233 ( 1.567 1.567 1.567) 2.713 43.482 ( -3.407 -3.407 -3.407) 5.900 43.482 ( -3.407 -3.407 -3.407) 5.900 43.748 ( -0.240 -0.240 -0.240) 0.416 43.769 ( -1.137 -1.137 -1.137) 1.970 43.769 ( -1.137 -1.137 -1.137) 1.970 43.981 ( -5.343 -5.343 -5.343) 9.254 ======================= Grid point 115 (22/24) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.830 4.489 5.172) 7.089 1.704 ( 1.830 4.489 5.172) 7.089 1.918 ( -1.267 -1.263 -1.669) 2.446 1.918 ( 1.267 -1.263 -1.669) 2.446 2.081 ( -7.499 1.226 1.368) 7.720 2.081 ( 7.499 1.226 1.368) 7.720 2.274 ( -0.084 -4.734 -5.473) 7.237 2.274 ( 0.084 -4.734 -5.473) 7.237 2.622 ( -7.747 0.037 1.009) 7.813 2.622 ( 7.747 0.037 1.009) 7.813 2.777 ( -2.051 -4.428 -4.762) 6.819 2.777 ( 2.051 -4.428 -4.762) 6.819 3.030 ( -5.683 8.479 8.222) 13.107 3.030 ( 5.683 8.479 8.222) 13.107 3.257 ( -0.935 2.268 1.020) 2.656 3.257 ( 0.935 2.268 1.020) 2.656 3.430 ( -2.429 2.825 3.672) 5.231 3.430 ( 2.429 2.825 3.672) 5.231 3.649 ( -2.618 -0.776 5.816) 6.425 3.649 ( 2.618 -0.776 5.816) 6.425 3.751 ( -4.349 2.009 -3.870) 6.159 3.751 ( 4.349 2.009 -3.870) 6.159 3.853 ( -1.139 5.512 3.403) 6.578 3.853 ( 1.139 5.512 3.403) 6.578 3.890 ( -3.000 3.193 1.006) 4.495 3.890 ( 3.000 3.193 1.006) 4.495 4.161 ( -10.460 -6.245 1.738) 12.306 4.161 ( 10.460 -6.245 1.738) 12.306 4.337 ( -1.149 -1.419 -5.353) 5.656 4.337 ( 1.149 -1.419 -5.353) 5.656 4.437 ( -1.741 -2.256 -4.511) 5.335 4.437 ( 1.741 -2.256 -4.511) 5.335 4.566 ( -5.102 0.158 3.834) 6.384 4.566 ( 5.102 0.158 3.834) 6.384 4.707 ( -1.480 -1.278 -2.670) 3.310 4.707 ( 1.480 -1.278 -2.670) 3.310 4.792 ( -2.217 -2.328 -2.870) 4.309 4.792 ( 2.217 -2.328 -2.870) 4.309 4.837 ( -1.839 -5.728 -5.385) 8.074 4.837 ( 1.839 -5.728 -5.385) 8.074 4.932 ( -2.111 4.619 4.740) 6.947 4.932 ( 2.111 4.619 4.740) 6.947 5.121 ( -0.906 -0.042 0.291) 0.952 5.121 ( 0.906 -0.042 0.291) 0.952 5.424 ( -4.578 0.855 2.626) 5.347 5.424 ( 4.578 0.855 2.626) 5.347 5.530 ( -2.470 4.742 0.110) 5.347 5.530 ( 2.470 4.742 0.110) 5.347 5.631 ( -3.232 -1.816 -0.168) 3.711 5.631 ( 3.232 -1.816 -0.168) 3.711 5.712 ( -2.133 -0.084 0.045) 2.135 5.712 ( 2.133 -0.084 0.045) 2.135 5.863 ( -1.634 -0.862 1.780) 2.565 5.863 ( 1.634 -0.862 1.780) 2.565 5.971 ( -1.592 -0.359 -2.595) 3.065 5.971 ( 1.592 -0.359 -2.595) 3.065 6.170 ( -2.308 -2.758 -1.586) 3.931 6.170 ( 2.308 -2.758 -1.586) 3.931 6.196 ( -1.202 -2.058 -2.891) 3.747 6.196 ( 1.202 -2.058 -2.891) 3.747 21.544 ( -0.044 0.648 0.698) 0.953 21.544 ( 0.044 0.648 0.698) 0.953 21.555 ( -0.340 0.784 0.446) 0.964 21.555 ( 0.340 0.784 0.446) 0.964 21.569 ( -0.751 0.062 0.407) 0.857 21.569 ( 0.751 0.062 0.407) 0.857 21.587 ( -0.326 0.084 -0.021) 0.338 21.587 ( 0.326 0.084 -0.021) 0.338 21.612 ( -0.379 0.010 0.257) 0.459 21.612 ( 0.379 0.010 0.257) 0.459 21.625 ( -0.220 -0.220 -0.382) 0.492 21.625 ( 0.220 -0.220 -0.382) 0.492 21.707 ( -0.810 -0.096 -0.173) 0.833 21.707 ( 0.810 -0.096 -0.173) 0.833 21.725 ( -0.081 -0.734 -0.691) 1.011 21.725 ( 0.081 -0.734 -0.691) 1.011 23.626 ( -0.031 -0.007 0.010) 0.033 23.626 ( 0.031 -0.007 0.010) 0.033 23.628 ( -0.093 -0.069 -0.085) 0.143 23.628 ( 0.093 -0.069 -0.085) 0.143 23.681 ( -0.026 0.133 0.120) 0.181 23.681 ( 0.026 0.133 0.120) 0.181 23.685 ( -0.167 -0.042 -0.029) 0.175 23.685 ( 0.167 -0.042 -0.029) 0.175 32.279 ( -0.308 0.525 0.554) 0.823 32.279 ( 0.308 0.525 0.554) 0.823 32.297 ( -0.476 0.195 0.082) 0.521 32.297 ( 0.476 0.195 0.082) 0.521 32.307 ( -0.028 0.228 0.315) 0.390 32.307 ( 0.028 0.228 0.315) 0.390 32.328 ( -0.579 -0.214 -0.216) 0.654 32.328 ( 0.579 -0.214 -0.216) 0.654 42.366 ( -1.401 7.491 8.109) 11.128 42.366 ( 1.401 7.491 8.109) 11.128 42.508 ( -4.396 3.869 2.929) 6.548 42.508 ( 4.396 3.869 2.929) 6.548 42.845 ( -7.749 0.512 0.292) 7.771 42.845 ( 7.749 0.512 0.292) 7.771 42.951 ( -5.039 -4.126 -3.131) 7.227 42.951 ( 5.039 -4.126 -3.131) 7.227 43.245 ( -1.885 1.125 1.035) 2.427 43.245 ( 1.885 1.125 1.035) 2.427 43.430 ( -0.472 -4.493 -5.300) 6.964 43.430 ( 0.472 -4.493 -5.300) 6.964 43.724 ( -0.563 0.043 0.783) 0.965 43.724 ( 0.563 0.043 0.783) 0.965 43.865 ( -5.257 -4.836 -5.131) 8.795 43.865 ( 5.257 -4.836 -5.131) 8.795 ======================= Grid point 125 (23/24) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -3.998 -5.503 -1.518) 6.969 1.819 ( -0.726 -5.140 -1.518) 5.408 1.819 ( 0.726 5.140 -1.518) 5.408 1.819 ( 3.998 5.503 -1.518) 6.969 2.165 ( -4.565 -4.904 -0.007) 6.700 2.165 ( 2.598 -4.530 -0.007) 5.222 2.165 ( -2.598 4.530 -0.007) 5.222 2.165 ( 4.565 4.904 -0.007) 6.700 2.672 ( -3.781 -4.291 -3.536) 6.724 2.672 ( 3.627 -4.257 -3.536) 6.617 2.672 ( -3.627 4.257 -3.536) 6.617 2.672 ( 3.781 4.291 -3.536) 6.724 3.215 ( -5.627 -6.472 10.095) 13.247 3.215 ( 4.598 -6.266 10.095) 12.740 3.215 ( -4.598 6.266 10.095) 12.740 3.215 ( 5.627 6.472 10.095) 13.247 3.539 ( -7.551 -6.888 -1.215) 10.292 3.539 ( 7.498 -6.874 -1.215) 10.244 3.539 ( -7.498 6.874 -1.215) 10.244 3.539 ( 7.551 6.888 -1.215) 10.292 3.843 ( -4.032 -4.598 4.794) 7.771 3.843 ( 0.786 -4.152 4.794) 6.390 3.843 ( -0.786 4.152 4.794) 6.390 3.843 ( 4.032 4.598 4.794) 7.771 4.019 ( -10.805 -6.318 -0.827) 12.544 4.019 ( 1.807 -3.397 -0.827) 3.936 4.019 ( -1.807 3.397 -0.827) 3.936 4.019 ( 10.805 6.318 -0.827) 12.544 4.351 ( -4.148 -4.138 -5.212) 7.842 4.351 ( 3.164 -3.914 -5.212) 7.245 4.351 ( -3.164 3.914 -5.212) 7.245 4.351 ( 4.148 4.138 -5.212) 7.842 4.647 ( -3.228 -4.956 -3.485) 6.864 4.647 ( 2.651 -4.870 -3.485) 6.549 4.647 ( -2.651 4.870 -3.485) 6.549 4.647 ( 3.228 4.956 -3.485) 6.864 4.759 ( -1.268 -0.750 -1.870) 2.380 4.759 ( -1.006 -0.643 -1.870) 2.219 4.759 ( 1.006 0.643 -1.870) 2.219 4.759 ( 1.268 0.750 -1.870) 2.381 5.062 ( -3.307 -5.025 4.685) 7.625 5.062 ( -1.638 -4.815 4.685) 6.915 5.062 ( 1.638 4.815 4.685) 6.915 5.062 ( 3.307 5.025 4.685) 7.625 5.487 ( -3.241 -5.170 -0.375) 6.114 5.487 ( 2.555 -5.073 -0.375) 5.693 5.487 ( -2.555 5.073 -0.375) 5.693 5.487 ( 3.241 5.170 -0.375) 6.114 5.672 ( -2.683 -4.206 2.520) 5.589 5.672 ( 0.993 -4.018 2.520) 4.846 5.672 ( -0.993 4.018 2.520) 4.846 5.672 ( 2.683 4.206 2.520) 5.589 5.917 ( -1.396 -4.031 -2.615) 5.004 5.917 ( -0.215 -3.972 -2.615) 4.760 5.917 ( 0.215 3.972 -2.615) 4.760 5.917 ( 1.396 4.031 -2.615) 5.004 6.156 ( -0.547 -1.230 -1.830) 2.272 6.156 ( 0.476 -1.222 -1.830) 2.252 6.156 ( -0.476 1.222 -1.830) 2.252 6.156 ( 0.547 1.230 -1.830) 2.272 21.556 ( -0.208 -0.386 0.670) 0.801 21.556 ( 0.003 -0.372 0.670) 0.767 21.556 ( -0.003 0.372 0.670) 0.767 21.556 ( 0.208 0.386 0.670) 0.801 21.581 ( -0.567 -0.679 0.334) 0.946 21.581 ( 0.519 -0.669 0.334) 0.911 21.581 ( -0.519 0.669 0.334) 0.911 21.581 ( 0.567 0.679 0.334) 0.946 21.617 ( -0.145 -0.407 -0.019) 0.433 21.617 ( -0.023 -0.401 -0.019) 0.402 21.617 ( 0.023 0.401 -0.019) 0.402 21.617 ( 0.145 0.407 -0.019) 0.433 21.711 ( -0.488 -0.454 -0.725) 0.985 21.711 ( 0.417 -0.436 -0.725) 0.943 21.711 ( -0.417 0.436 -0.725) 0.943 21.711 ( 0.488 0.454 -0.725) 0.985 23.626 ( -0.046 -0.057 -0.036) 0.082 23.626 ( 0.034 -0.055 -0.036) 0.074 23.626 ( -0.034 0.055 -0.036) 0.074 23.626 ( 0.046 0.057 -0.036) 0.082 23.684 ( -0.095 -0.090 0.043) 0.137 23.684 ( 0.068 -0.083 0.043) 0.116 23.684 ( -0.068 0.083 0.043) 0.116 23.684 ( 0.095 0.090 0.043) 0.137 32.291 ( -0.450 -0.497 0.590) 0.893 32.291 ( 0.288 -0.466 0.590) 0.805 32.291 ( -0.288 0.466 0.590) 0.805 32.291 ( 0.450 0.497 0.590) 0.893 32.319 ( -0.557 -0.568 -0.208) 0.822 32.319 ( 0.533 -0.562 -0.208) 0.802 32.319 ( -0.533 0.562 -0.208) 0.802 32.319 ( 0.557 0.568 -0.208) 0.822 42.506 ( -2.179 -4.008 7.384) 8.680 42.506 ( -0.745 -3.875 7.384) 8.372 42.506 ( 0.745 3.875 7.384) 8.372 42.506 ( 2.179 4.008 7.384) 8.680 42.876 ( -2.168 -2.378 -2.494) 4.072 42.876 ( -0.398 -2.125 -2.494) 3.301 42.876 ( 0.398 2.125 -2.494) 3.301 42.876 ( 2.168 2.378 -2.494) 4.072 43.313 ( -3.088 -4.725 -1.891) 5.953 43.313 ( -0.944 -4.491 -1.891) 4.963 43.313 ( 0.944 4.491 -1.891) 4.963 43.313 ( 3.088 4.725 -1.891) 5.953 43.769 ( -3.438 -3.700 -3.201) 5.980 43.769 ( 3.434 -3.699 -3.201) 5.977 43.769 ( -3.434 3.699 -3.201) 5.977 43.769 ( 3.438 3.700 -3.201) 5.980 ======================= Grid point 201 (24/24) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 12 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 1.792 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 3.418 ( -0.000 -0.000 -0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.451 ( -0.000 -0.000 -0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.451 ( -0.000 -0.000 -0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( -0.000 -0.000 -0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.596 ( -0.000 -0.000 -0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.456 ( -0.000 -0.000 -0.000) 0.000 5.456 ( -0.000 -0.000 -0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.874 ( -0.000 -0.000 -0.000) 0.000 5.874 ( -0.000 -0.000 -0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.565 ( 0.000 0.000 0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.584 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 21.617 ( 0.000 0.000 0.000) 0.000 21.702 ( 0.000 0.000 0.000) 0.000 21.702 ( 0.000 0.000 0.000) 0.000 21.702 ( 0.000 0.000 0.000) 0.000 21.702 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.626 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 23.684 ( 0.000 0.000 0.000) 0.000 32.299 ( 0.000 0.000 0.000) 0.000 32.299 ( 0.000 0.000 0.000) 0.000 32.299 ( 0.000 0.000 0.000) 0.000 32.299 ( 0.000 0.000 0.000) 0.000 32.315 ( -0.000 -0.000 -0.000) 0.000 32.315 ( 0.000 0.000 0.000) 0.000 32.315 ( 0.000 0.000 0.000) 0.000 32.315 ( 0.000 0.000 0.000) 0.000 42.611 ( 0.000 0.000 0.000) 0.000 42.611 ( 0.000 0.000 0.000) 0.000 42.611 ( 0.000 0.000 0.000) 0.000 42.611 ( 0.000 0.000 0.000) 0.000 42.830 ( 0.000 0.000 0.000) 0.000 42.830 ( 0.000 0.000 0.000) 0.000 42.830 ( 0.000 0.000 0.000) 0.000 42.830 ( 0.000 0.000 0.000) 0.000 43.291 ( 0.000 0.000 0.000) 0.000 43.291 ( 0.000 0.000 0.000) 0.000 43.291 ( 0.000 0.000 0.000) 0.000 43.291 ( 0.000 0.000 0.000) 0.000 43.730 ( 0.000 0.000 0.000) 0.000 43.730 ( 0.000 0.000 0.000) 0.000 43.730 ( 0.000 0.000 0.000) 0.000 43.730 ( 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 3/23328 10.0 204.152 204.152 204.152 0.000 0.000 0.000 3/23328 20.0 38.736 38.736 38.736 0.000 0.000 0.000 3/23328 30.0 13.929 13.929 13.929 0.000 0.000 0.000 3/23328 40.0 7.236 7.236 7.236 0.000 0.000 0.000 3/23328 50.0 4.681 4.681 4.681 0.000 0.000 0.000 3/23328 60.0 3.446 3.446 3.446 0.000 0.000 0.000 3/23328 70.0 2.742 2.742 2.742 0.000 0.000 0.000 3/23328 80.0 2.290 2.290 2.290 0.000 0.000 0.000 3/23328 90.0 1.976 1.976 1.976 0.000 0.000 0.000 3/23328 100.0 1.743 1.743 1.743 0.000 0.000 0.000 3/23328 110.0 1.563 1.563 1.563 0.000 0.000 0.000 3/23328 120.0 1.418 1.418 1.418 0.000 0.000 0.000 3/23328 130.0 1.300 1.300 1.300 0.000 0.000 0.000 3/23328 140.0 1.201 1.201 1.201 0.000 0.000 0.000 3/23328 150.0 1.117 1.117 1.117 0.000 0.000 0.000 3/23328 160.0 1.045 1.045 1.045 0.000 0.000 0.000 3/23328 170.0 0.983 0.983 0.983 0.000 0.000 0.000 3/23328 180.0 0.928 0.928 0.928 0.000 0.000 0.000 3/23328 190.0 0.880 0.880 0.880 0.000 0.000 0.000 3/23328 200.0 0.838 0.838 0.838 0.000 0.000 0.000 3/23328 210.0 0.800 0.800 0.800 0.000 0.000 0.000 3/23328 220.0 0.766 0.766 0.766 0.000 0.000 0.000 3/23328 230.0 0.736 0.736 0.736 0.000 0.000 0.000 3/23328 240.0 0.709 0.709 0.709 0.000 0.000 0.000 3/23328 250.0 0.685 0.685 0.685 0.000 0.000 0.000 3/23328 260.0 0.663 0.663 0.663 0.000 0.000 0.000 3/23328 270.0 0.643 0.643 0.643 0.000 0.000 0.000 3/23328 280.0 0.625 0.625 0.625 0.000 0.000 0.000 3/23328 290.0 0.608 0.608 0.608 0.000 0.000 -0.000 3/23328 300.0 0.593 0.593 0.593 0.000 0.000 -0.000 3/23328 310.0 0.579 0.579 0.579 0.000 0.000 -0.000 3/23328 320.0 0.566 0.566 0.566 0.000 0.000 -0.000 3/23328 330.0 0.554 0.554 0.554 0.000 0.000 -0.000 3/23328 340.0 0.543 0.543 0.543 0.000 0.000 -0.000 3/23328 350.0 0.533 0.533 0.533 0.000 0.000 -0.000 3/23328 360.0 0.523 0.523 0.523 0.000 0.000 -0.000 3/23328 370.0 0.514 0.514 0.514 0.000 0.000 -0.000 3/23328 380.0 0.505 0.505 0.505 0.000 0.000 -0.000 3/23328 390.0 0.497 0.497 0.497 0.000 0.000 -0.000 3/23328 400.0 0.490 0.490 0.490 0.000 0.000 -0.000 3/23328 410.0 0.482 0.482 0.482 0.000 0.000 -0.000 3/23328 420.0 0.475 0.475 0.475 0.000 0.000 -0.000 3/23328 430.0 0.469 0.469 0.469 0.000 0.000 -0.000 3/23328 440.0 0.462 0.462 0.462 0.000 0.000 -0.000 3/23328 450.0 0.456 0.456 0.456 0.000 0.000 -0.000 3/23328 460.0 0.450 0.450 0.450 0.000 0.000 -0.000 3/23328 470.0 0.445 0.445 0.445 0.000 0.000 -0.000 3/23328 480.0 0.439 0.439 0.439 0.000 0.000 -0.000 3/23328 490.0 0.434 0.434 0.434 0.000 0.000 -0.000 3/23328 500.0 0.429 0.429 0.429 0.000 0.000 -0.000 3/23328 510.0 0.424 0.424 0.424 0.000 0.000 -0.000 3/23328 520.0 0.419 0.419 0.419 0.000 0.000 -0.000 3/23328 530.0 0.414 0.414 0.414 0.000 0.000 -0.000 3/23328 540.0 0.410 0.410 0.410 0.000 0.000 -0.000 3/23328 550.0 0.405 0.405 0.405 0.000 0.000 -0.000 3/23328 560.0 0.401 0.401 0.401 0.000 0.000 -0.000 3/23328 570.0 0.396 0.396 0.396 0.000 0.000 -0.000 3/23328 580.0 0.392 0.392 0.392 0.000 0.000 -0.000 3/23328 590.0 0.388 0.388 0.388 0.000 0.000 -0.000 3/23328 600.0 0.384 0.384 0.384 0.000 0.000 -0.000 3/23328 610.0 0.380 0.380 0.380 0.000 0.000 -0.000 3/23328 620.0 0.376 0.376 0.376 0.000 0.000 -0.000 3/23328 630.0 0.372 0.372 0.372 0.000 0.000 -0.000 3/23328 640.0 0.369 0.369 0.369 0.000 0.000 -0.000 3/23328 650.0 0.365 0.365 0.365 0.000 0.000 -0.000 3/23328 660.0 0.362 0.362 0.362 0.000 0.000 -0.000 3/23328 670.0 0.358 0.358 0.358 0.000 0.000 -0.000 3/23328 680.0 0.355 0.355 0.355 0.000 0.000 -0.000 3/23328 690.0 0.351 0.351 0.351 0.000 0.000 -0.000 3/23328 700.0 0.348 0.348 0.348 0.000 0.000 -0.000 3/23328 710.0 0.345 0.345 0.345 0.000 0.000 -0.000 3/23328 720.0 0.341 0.341 0.341 0.000 0.000 -0.000 3/23328 730.0 0.338 0.338 0.338 0.000 0.000 -0.000 3/23328 740.0 0.335 0.335 0.335 0.000 0.000 -0.000 3/23328 750.0 0.332 0.332 0.332 0.000 0.000 -0.000 3/23328 760.0 0.329 0.329 0.329 0.000 0.000 -0.000 3/23328 770.0 0.326 0.326 0.326 0.000 0.000 -0.000 3/23328 780.0 0.323 0.323 0.323 0.000 0.000 -0.000 3/23328 790.0 0.320 0.320 0.320 0.000 0.000 -0.000 3/23328 800.0 0.317 0.317 0.317 0.000 0.000 -0.000 3/23328 810.0 0.315 0.315 0.315 0.000 0.000 -0.000 3/23328 820.0 0.312 0.312 0.312 0.000 0.000 -0.000 3/23328 830.0 0.309 0.309 0.309 0.000 0.000 -0.000 3/23328 840.0 0.306 0.306 0.306 0.000 0.000 -0.000 3/23328 850.0 0.304 0.304 0.304 0.000 0.000 -0.000 3/23328 860.0 0.301 0.301 0.301 0.000 0.000 -0.000 3/23328 870.0 0.299 0.299 0.299 0.000 0.000 -0.000 3/23328 880.0 0.296 0.296 0.296 0.000 0.000 -0.000 3/23328 890.0 0.294 0.294 0.294 0.000 0.000 -0.000 3/23328 900.0 0.291 0.291 0.291 0.000 0.000 -0.000 3/23328 910.0 0.289 0.289 0.289 0.000 0.000 -0.000 3/23328 920.0 0.286 0.286 0.286 0.000 0.000 -0.000 3/23328 930.0 0.284 0.284 0.284 0.000 0.000 -0.000 3/23328 940.0 0.282 0.282 0.282 0.000 0.000 -0.000 3/23328 950.0 0.280 0.280 0.280 0.000 0.000 -0.000 3/23328 960.0 0.277 0.277 0.277 0.000 0.000 -0.000 3/23328 970.0 0.275 0.275 0.275 0.000 0.000 -0.000 3/23328 980.0 0.273 0.273 0.273 0.000 0.000 -0.000 3/23328 990.0 0.271 0.271 0.271 0.000 0.000 -0.000 3/23328 1000.0 0.269 0.269 0.269 0.000 0.000 -0.000 3/23328 Thermal conductivity related properties were written into "kappa-m666.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:05:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|