----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:36:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.451142790000000 Atomic positions (fractional): *1 Na 0.28765576723192 0.28765576723192 0.50000000000000 22.990 2 Na 0.28765576723192 0.71234423276808 0.50000000000000 22.990 *3 Na 0.50000000000000 0.00000000000000 0.41095223756465 22.990 4 Na 0.50000000000000 0.00000000000000 0.91095223756465 22.990 5 Na 0.71234423276808 0.28765576723192 0.50000000000000 22.990 6 Na 0.71234423276808 0.71234423276808 0.50000000000000 22.990 7 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 8 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 9 Na 0.00000000000000 0.50000000000000 0.08904776243535 22.990 10 Na 0.00000000000000 0.50000000000000 0.58904776243535 22.990 11 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 12 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 *13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 *15 O 0.24226763894826 0.00000000000000 0.68247798206006 15.999 16 O 0.50000000000000 0.74226763894826 0.18247798206006 15.999 17 O 0.50000000000000 0.25773236105174 0.18247798206006 15.999 18 O 0.75773236105174 0.00000000000000 0.68247798206006 15.999 19 O 0.74226763894826 0.50000000000000 0.81752201793994 15.999 20 O 0.00000000000000 0.75773236105174 0.31752201793994 15.999 21 O 0.00000000000000 0.24226763894826 0.31752201793994 15.999 22 O 0.25773236105174 0.50000000000000 0.81752201793994 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.451142790000000 Atomic positions (fractional): *1 Na 0.28765576723192 0.28765576723192 0.50000000000000 22.990 > 1 2 Na 0.28765576723192 0.71234423276808 0.50000000000000 22.990 > 2 *3 Na 0.50000000000000 0.00000000000000 0.41095223756465 22.990 > 3 4 Na 0.50000000000000 0.00000000000000 0.91095223756465 22.990 > 4 5 Na 0.71234423276808 0.28765576723192 0.50000000000000 22.990 > 5 6 Na 0.71234423276808 0.71234423276808 0.50000000000000 22.990 > 6 7 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 > 7 8 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 > 8 9 Na 0.00000000000000 0.50000000000000 0.08904776243535 22.990 > 9 10 Na 0.00000000000000 0.50000000000000 0.58904776243535 22.990 > 10 11 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 > 11 12 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 > 12 *13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 13 14 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 14 *15 O 0.24226763894826 0.00000000000000 0.68247798206006 15.999 > 15 16 O 0.50000000000000 0.74226763894826 0.18247798206006 15.999 > 16 17 O 0.50000000000000 0.25773236105174 0.18247798206006 15.999 > 17 18 O 0.75773236105174 0.00000000000000 0.68247798206006 15.999 > 18 19 O 0.74226763894826 0.50000000000000 0.81752201793994 15.999 > 19 20 O 0.00000000000000 0.75773236105174 0.31752201793994 15.999 > 20 21 O 0.00000000000000 0.24226763894826 0.31752201793994 15.999 > 21 22 O 0.25773236105174 0.50000000000000 0.81752201793994 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.902285579999999 Atomic positions (fractional): *1 Na 0.28765576723192 0.28765576723192 0.25000000000000 22.990 > 1 2 Na 0.28765576723192 0.28765576723192 0.75000000000000 22.990 > 1 3 Na 0.28765576723192 0.71234423276808 0.25000000000000 22.990 > 2 4 Na 0.28765576723192 0.71234423276808 0.75000000000000 22.990 > 2 *5 Na 0.50000000000000 0.00000000000000 0.20547611878232 22.990 > 3 6 Na 0.50000000000000 0.00000000000000 0.70547611878232 22.990 > 3 7 Na 0.50000000000000 0.00000000000000 0.45547611878233 22.990 > 4 8 Na 0.50000000000000 0.00000000000000 0.95547611878233 22.990 > 4 9 Na 0.71234423276808 0.28765576723192 0.25000000000000 22.990 > 5 10 Na 0.71234423276808 0.28765576723192 0.75000000000000 22.990 > 5 11 Na 0.71234423276808 0.71234423276808 0.25000000000000 22.990 > 6 12 Na 0.71234423276808 0.71234423276808 0.75000000000000 22.990 > 6 13 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 > 7 14 Na 0.78765576723192 0.78765576723192 0.50000000000000 22.990 > 7 15 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 > 8 16 Na 0.78765576723192 0.21234423276808 0.50000000000000 22.990 > 8 17 Na 0.00000000000000 0.50000000000000 0.04452388121767 22.990 > 9 18 Na 0.00000000000000 0.50000000000000 0.54452388121768 22.990 > 9 19 Na 0.00000000000000 0.50000000000000 0.29452388121767 22.990 > 10 20 Na 0.00000000000000 0.50000000000000 0.79452388121767 22.990 > 10 21 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 > 11 22 Na 0.21234423276808 0.78765576723192 0.50000000000000 22.990 > 11 23 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 > 12 24 Na 0.21234423276808 0.21234423276808 0.50000000000000 22.990 > 12 *25 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 13 26 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 13 27 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 14 28 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 14 *29 O 0.24226763894826 0.00000000000000 0.34123899103003 15.999 > 15 30 O 0.24226763894826 0.00000000000000 0.84123899103003 15.999 > 15 31 O 0.50000000000000 0.74226763894826 0.09123899103003 15.999 > 16 32 O 0.50000000000000 0.74226763894826 0.59123899103003 15.999 > 16 33 O 0.50000000000000 0.25773236105174 0.09123899103003 15.999 > 17 34 O 0.50000000000000 0.25773236105174 0.59123899103003 15.999 > 17 35 O 0.75773236105174 0.00000000000000 0.34123899103003 15.999 > 18 36 O 0.75773236105174 0.00000000000000 0.84123899103003 15.999 > 18 37 O 0.74226763894826 0.50000000000000 0.40876100896997 15.999 > 19 38 O 0.74226763894826 0.50000000000000 0.90876100896997 15.999 > 19 39 O 0.00000000000000 0.75773236105174 0.15876100896997 15.999 > 20 40 O 0.00000000000000 0.75773236105174 0.65876100896997 15.999 > 20 41 O 0.00000000000000 0.24226763894826 0.15876100896997 15.999 > 21 42 O 0.00000000000000 0.24226763894826 0.65876100896997 15.999 > 21 43 O 0.25773236105174 0.50000000000000 0.40876100896997 15.999 > 22 44 O 0.25773236105174 0.50000000000000 0.90876100896997 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1894102 0.0000000 0.0000000 0.0000000 3.1894102 0.0000000 0.0000000 0.0000000 3.1369823 -------------------------- Born effective charges -------------------------- 1 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 2 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 3 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 4 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 5 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 6 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 7 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 8 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 9 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 10 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 11 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 12 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 13 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 14 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 15 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 16 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 17 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 18 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 19 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 20 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 21 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 22 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 ---------------------------------------------------------------------------- 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: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False |-- (44, 43), data: True |-- (62, 58), data: True |-- (112, 108), data: True |-- (112, 106), data: True ----- Solver_atoms: 1 -- 44 / 44 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 240 - Time: 0.084 Solver_block: 200 / 240 - Time: 0.095 Solver_block: 240 / 240 - Time: 0.044 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.227 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 132/132 Permutation basis: 4422/4422 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 330 Number of blocks in projector: 336 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 112 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 62 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 44 Use standard eigh solver. Tree of FC basis block matrices: - (330, 315), data: False |-- (44, 43), data: True |-- (62, 58), data: True |-- (112, 108), data: True |-- (112, 106), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:36:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:36:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.451142790000000 Atomic positions (fractional): 1 Na 0.28765576723192 0.28765576723192 0.50000000000000 22.990 2 Na 0.28765576723192 0.71234423276808 0.50000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.41095223756465 22.990 4 Na 0.50000000000000 0.00000000000000 0.91095223756465 22.990 5 Na 0.71234423276808 0.28765576723192 0.50000000000000 22.990 6 Na 0.71234423276808 0.71234423276808 0.50000000000000 22.990 7 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 8 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 9 Na 0.00000000000000 0.50000000000000 0.08904776243535 22.990 10 Na 0.00000000000000 0.50000000000000 0.58904776243535 22.990 11 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 12 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 15 O 0.24226763894826 0.00000000000000 0.68247798206006 15.999 16 O 0.50000000000000 0.74226763894826 0.18247798206006 15.999 17 O 0.50000000000000 0.25773236105174 0.18247798206006 15.999 18 O 0.75773236105174 0.00000000000000 0.68247798206006 15.999 19 O 0.74226763894826 0.50000000000000 0.81752201793994 15.999 20 O 0.00000000000000 0.75773236105174 0.31752201793994 15.999 21 O 0.00000000000000 0.24226763894826 0.31752201793994 15.999 22 O 0.25773236105174 0.50000000000000 0.81752201793994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.902285579999999 Atomic positions (fractional): 1 Na 0.28765576723192 0.28765576723192 0.25000000000000 22.990 > 1 2 Na 0.28765576723192 0.28765576723192 0.75000000000000 22.990 > 1 3 Na 0.28765576723192 0.71234423276808 0.25000000000000 22.990 > 3 4 Na 0.28765576723192 0.71234423276808 0.75000000000000 22.990 > 3 5 Na 0.50000000000000 0.00000000000000 0.20547611878232 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.70547611878232 22.990 > 5 7 Na 0.50000000000000 0.00000000000000 0.45547611878233 22.990 > 7 8 Na 0.50000000000000 0.00000000000000 0.95547611878233 22.990 > 7 9 Na 0.71234423276808 0.28765576723192 0.25000000000000 22.990 > 9 10 Na 0.71234423276808 0.28765576723192 0.75000000000000 22.990 > 9 11 Na 0.71234423276808 0.71234423276808 0.25000000000000 22.990 > 11 12 Na 0.71234423276808 0.71234423276808 0.75000000000000 22.990 > 11 13 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 > 13 14 Na 0.78765576723192 0.78765576723192 0.50000000000000 22.990 > 13 15 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 > 15 16 Na 0.78765576723192 0.21234423276808 0.50000000000000 22.990 > 15 17 Na 0.00000000000000 0.50000000000000 0.04452388121767 22.990 > 17 18 Na 0.00000000000000 0.50000000000000 0.54452388121768 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.29452388121767 22.990 > 19 20 Na 0.00000000000000 0.50000000000000 0.79452388121767 22.990 > 19 21 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 > 21 22 Na 0.21234423276808 0.78765576723192 0.50000000000000 22.990 > 21 23 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 > 23 24 Na 0.21234423276808 0.21234423276808 0.50000000000000 22.990 > 23 25 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 27 28 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 27 29 O 0.24226763894826 0.00000000000000 0.34123899103003 15.999 > 29 30 O 0.24226763894826 0.00000000000000 0.84123899103003 15.999 > 29 31 O 0.50000000000000 0.74226763894826 0.09123899103003 15.999 > 31 32 O 0.50000000000000 0.74226763894826 0.59123899103003 15.999 > 31 33 O 0.50000000000000 0.25773236105174 0.09123899103003 15.999 > 33 34 O 0.50000000000000 0.25773236105174 0.59123899103003 15.999 > 33 35 O 0.75773236105174 0.00000000000000 0.34123899103003 15.999 > 35 36 O 0.75773236105174 0.00000000000000 0.84123899103003 15.999 > 35 37 O 0.74226763894826 0.50000000000000 0.40876100896997 15.999 > 37 38 O 0.74226763894826 0.50000000000000 0.90876100896997 15.999 > 37 39 O 0.00000000000000 0.75773236105174 0.15876100896997 15.999 > 39 40 O 0.00000000000000 0.75773236105174 0.65876100896997 15.999 > 39 41 O 0.00000000000000 0.24226763894826 0.15876100896997 15.999 > 41 42 O 0.00000000000000 0.24226763894826 0.65876100896997 15.999 > 41 43 O 0.25773236105174 0.50000000000000 0.40876100896997 15.999 > 43 44 O 0.25773236105174 0.50000000000000 0.90876100896997 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1894102 0.0000000 0.0000000 0.0000000 3.1894102 0.0000000 0.0000000 0.0000000 3.1369823 -------------------------- Born effective charges -------------------------- 1 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 2 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 3 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 4 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 5 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 6 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 7 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 8 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 9 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 10 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 11 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 12 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 13 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 14 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 15 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 16 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 17 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 18 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 19 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 20 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 21 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 22 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:36:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:36:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/nmc (137) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.451142790000000 Atomic positions (fractional): 1 Na 0.28765576723192 0.28765576723192 0.50000000000000 22.990 2 Na 0.28765576723192 0.71234423276808 0.50000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.41095223756465 22.990 4 Na 0.50000000000000 0.00000000000000 0.91095223756465 22.990 5 Na 0.71234423276808 0.28765576723192 0.50000000000000 22.990 6 Na 0.71234423276808 0.71234423276808 0.50000000000000 22.990 7 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 8 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 9 Na 0.00000000000000 0.50000000000000 0.08904776243535 22.990 10 Na 0.00000000000000 0.50000000000000 0.58904776243535 22.990 11 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 12 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 13 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 14 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 15 O 0.24226763894826 0.00000000000000 0.68247798206006 15.999 16 O 0.50000000000000 0.74226763894826 0.18247798206006 15.999 17 O 0.50000000000000 0.25773236105174 0.18247798206006 15.999 18 O 0.75773236105174 0.00000000000000 0.68247798206006 15.999 19 O 0.74226763894826 0.50000000000000 0.81752201793994 15.999 20 O 0.00000000000000 0.75773236105174 0.31752201793994 15.999 21 O 0.00000000000000 0.24226763894826 0.31752201793994 15.999 22 O 0.25773236105174 0.50000000000000 0.81752201793994 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.415572920000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.415572920000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.902285579999999 Atomic positions (fractional): 1 Na 0.28765576723192 0.28765576723192 0.25000000000000 22.990 > 1 2 Na 0.28765576723192 0.28765576723192 0.75000000000000 22.990 > 1 3 Na 0.28765576723192 0.71234423276808 0.25000000000000 22.990 > 3 4 Na 0.28765576723192 0.71234423276808 0.75000000000000 22.990 > 3 5 Na 0.50000000000000 0.00000000000000 0.20547611878232 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.70547611878232 22.990 > 5 7 Na 0.50000000000000 0.00000000000000 0.45547611878233 22.990 > 7 8 Na 0.50000000000000 0.00000000000000 0.95547611878233 22.990 > 7 9 Na 0.71234423276808 0.28765576723192 0.25000000000000 22.990 > 9 10 Na 0.71234423276808 0.28765576723192 0.75000000000000 22.990 > 9 11 Na 0.71234423276808 0.71234423276808 0.25000000000000 22.990 > 11 12 Na 0.71234423276808 0.71234423276808 0.75000000000000 22.990 > 11 13 Na 0.78765576723192 0.78765576723192 0.00000000000000 22.990 > 13 14 Na 0.78765576723192 0.78765576723192 0.50000000000000 22.990 > 13 15 Na 0.78765576723192 0.21234423276808 0.00000000000000 22.990 > 15 16 Na 0.78765576723192 0.21234423276808 0.50000000000000 22.990 > 15 17 Na 0.00000000000000 0.50000000000000 0.04452388121767 22.990 > 17 18 Na 0.00000000000000 0.50000000000000 0.54452388121768 22.990 > 17 19 Na 0.00000000000000 0.50000000000000 0.29452388121767 22.990 > 19 20 Na 0.00000000000000 0.50000000000000 0.79452388121767 22.990 > 19 21 Na 0.21234423276808 0.78765576723192 0.00000000000000 22.990 > 21 22 Na 0.21234423276808 0.78765576723192 0.50000000000000 22.990 > 21 23 Na 0.21234423276808 0.21234423276808 0.00000000000000 22.990 > 23 24 Na 0.21234423276808 0.21234423276808 0.50000000000000 22.990 > 23 25 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 25 26 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 25 27 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 27 28 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 27 29 O 0.24226763894826 0.00000000000000 0.34123899103003 15.999 > 29 30 O 0.24226763894826 0.00000000000000 0.84123899103003 15.999 > 29 31 O 0.50000000000000 0.74226763894826 0.09123899103003 15.999 > 31 32 O 0.50000000000000 0.74226763894826 0.59123899103003 15.999 > 31 33 O 0.50000000000000 0.25773236105174 0.09123899103003 15.999 > 33 34 O 0.50000000000000 0.25773236105174 0.59123899103003 15.999 > 33 35 O 0.75773236105174 0.00000000000000 0.34123899103003 15.999 > 35 36 O 0.75773236105174 0.00000000000000 0.84123899103003 15.999 > 35 37 O 0.74226763894826 0.50000000000000 0.40876100896997 15.999 > 37 38 O 0.74226763894826 0.50000000000000 0.90876100896997 15.999 > 37 39 O 0.00000000000000 0.75773236105174 0.15876100896997 15.999 > 39 40 O 0.00000000000000 0.75773236105174 0.65876100896997 15.999 > 39 41 O 0.00000000000000 0.24226763894826 0.15876100896997 15.999 > 41 42 O 0.00000000000000 0.24226763894826 0.65876100896997 15.999 > 41 43 O 0.25773236105174 0.50000000000000 0.40876100896997 15.999 > 43 44 O 0.25773236105174 0.50000000000000 0.90876100896997 15.999 > 43 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1894102 0.0000000 0.0000000 0.0000000 3.1894102 0.0000000 0.0000000 0.0000000 3.1369823 -------------------------- Born effective charges -------------------------- 1 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 2 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 3 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 4 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 5 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 6 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 7 Na 0.9250113 0.0245783 -0.0062807 0.0245783 0.9250113 0.0062807 -0.0251764 0.0251764 0.9512130 8 Na 0.9250113 -0.0245783 -0.0062807 -0.0245783 0.9250113 -0.0062807 -0.0251764 -0.0251764 0.9512130 9 Na 0.9695309 0.0000000 0.0000000 0.0000000 0.8829651 0.0000000 0.0000000 0.0000000 0.8920672 10 Na 0.8829651 0.0000000 0.0000000 0.0000000 0.9695309 0.0000000 0.0000000 0.0000000 0.8920672 11 Na 0.9250113 -0.0245783 0.0062807 -0.0245783 0.9250113 0.0062807 0.0251764 0.0251764 0.9512130 12 Na 0.9250113 0.0245783 0.0062807 0.0245783 0.9250113 -0.0062807 0.0251764 -0.0251764 0.9512130 13 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 14 Mg 1.7361143 0.0000000 0.0000000 0.0000000 1.7361143 0.0000000 0.0000000 0.0000000 1.3520426 15 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 16 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 17 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 18 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 19 O -1.9396536 0.0000000 0.1507457 0.0000000 -1.7046741 0.0000000 0.1871321 0.0000000 -1.7352572 20 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 -0.1507457 0.0000000 -0.1871321 -1.7352572 21 O -1.7046741 0.0000000 0.0000000 0.0000000 -1.9396536 0.1507457 0.0000000 0.1871321 -1.7352572 22 O -1.9396536 0.0000000 -0.1507457 0.0000000 -1.7046741 0.0000000 -0.1871321 0.0000000 -1.7352572 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (xzx) 0.00000005 (xzx) 0.00000005 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.62, Number of G-points: 307, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.760 ( -0.000 0.000 0.000) 0.000 3.760 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 -0.000 -0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.123 ( -0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.217 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.329 ( 0.000 0.000 -0.000) 0.000 4.347 ( -0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 4.782 ( -0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.177 ( 0.000 0.000 -0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 -0.000) 0.000 5.808 ( 0.000 -0.000 0.000) 0.000 6.320 ( 0.000 -0.000 0.000) 0.000 6.371 ( -0.000 0.000 0.000) 0.000 6.397 ( 0.000 0.000 -0.000) 0.000 6.536 ( 0.000 -0.000 -0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.629 ( 0.000 0.000 -0.000) 0.000 7.081 ( -0.000 0.000 0.000) 0.000 7.117 ( 0.000 0.000 -0.000) 0.000 7.117 ( 0.000 0.000 0.000) 0.000 7.478 ( 0.000 0.000 -0.000) 0.000 7.712 ( 0.000 0.000 0.000) 0.000 7.712 ( -0.000 0.000 0.000) 0.000 7.961 ( -0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 -0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 -0.000 0.000) 0.000 8.321 ( -0.000 0.000 0.000) 0.000 8.473 ( 0.000 -0.000 0.000) 0.000 8.473 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.637 ( -0.000 -0.000 0.000) 0.000 8.799 ( -0.000 0.000 0.000) 0.000 8.837 ( 0.000 -0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 -0.000) 0.000 9.065 ( 0.000 0.000 0.000) 0.000 9.269 ( -0.000 0.000 0.000) 0.000 9.348 ( 0.000 0.000 -0.000) 0.000 9.348 ( -0.000 0.000 -0.000) 0.000 9.486 ( 0.000 -0.000 0.000) 0.000 10.202 ( 0.000 -0.000 -0.000) 0.000 10.247 ( 0.000 0.000 0.000) 0.000 10.422 ( -0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 11.169 ( -0.000 0.000 -0.000) 0.000 11.305 ( 0.000 0.000 -0.000) 0.000 12.244 ( -0.000 0.000 0.000) 0.000 12.244 ( -0.000 0.000 0.000) 0.000 12.505 ( 0.000 0.000 -0.000) 0.000 12.978 ( 0.000 0.000 0.000) 0.000 12.978 ( 0.000 0.000 0.000) 0.000 13.251 ( -0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 -0.000) 0.000 13.578 ( 0.000 0.000 0.000) 0.000 13.783 ( 0.000 0.000 0.000) 0.000 14.305 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 38.958 0.000 0.000) 38.958 0.768 ( 39.599 0.000 0.000) 39.599 1.251 ( 64.178 0.000 0.000) 64.178 3.678 ( -23.390 0.000 0.000) 23.390 3.718 ( -13.597 0.000 0.000) 13.597 3.743 ( -2.378 0.000 0.000) 2.378 4.090 ( -7.055 0.000 0.000) 7.055 4.133 ( 0.538 0.000 0.000) 0.538 4.141 ( 5.796 0.000 0.000) 5.796 4.167 ( -12.313 0.000 0.000) 12.313 4.321 ( -2.245 0.000 0.000) 2.245 4.369 ( -4.520 0.000 0.000) 4.520 4.426 ( 4.788 0.000 0.000) 4.788 4.844 ( 1.167 0.000 0.000) 1.167 4.871 ( 8.469 0.000 0.000) 8.469 4.997 ( 7.872 0.000 0.000) 7.872 5.077 ( 8.565 0.000 0.000) 8.565 5.213 ( 3.787 0.000 0.000) 3.787 5.785 ( 25.736 0.000 0.000) 25.736 5.801 ( -0.241 0.000 0.000) 0.241 6.221 ( -9.670 0.000 0.000) 9.670 6.322 ( -7.016 0.000 0.000) 7.016 6.400 ( 2.726 0.000 0.000) 2.726 6.417 ( -20.892 0.000 0.000) 20.892 6.541 ( 0.494 0.000 0.000) 0.494 6.616 ( 3.469 0.000 0.000) 3.469 7.008 ( -6.280 0.000 0.000) 6.280 7.076 ( -4.011 0.000 0.000) 4.011 7.148 ( 2.297 0.000 0.000) 2.297 7.439 ( -4.078 0.000 0.000) 4.078 7.644 ( -20.426 0.000 0.000) 20.426 7.759 ( 4.783 0.000 0.000) 4.783 7.919 ( 1.114 0.000 0.000) 1.114 8.248 ( 1.913 0.000 0.000) 1.913 8.312 ( -0.968 0.000 0.000) 0.968 8.366 ( 10.025 0.000 0.000) 10.025 8.466 ( -0.685 0.000 0.000) 0.685 8.470 ( -3.883 0.000 0.000) 3.883 8.488 ( 7.735 0.000 0.000) 7.735 8.681 ( 1.013 0.000 0.000) 1.013 8.712 ( 7.606 0.000 0.000) 7.606 8.818 ( -1.652 0.000 0.000) 1.652 8.873 ( 4.079 0.000 0.000) 4.079 8.952 ( 12.433 0.000 0.000) 12.433 9.091 ( 2.509 0.000 0.000) 2.509 9.119 ( 10.321 0.000 0.000) 10.321 9.223 ( -4.539 0.000 0.000) 4.539 9.348 ( -0.189 0.000 0.000) 0.189 9.539 ( 5.261 0.000 0.000) 5.261 10.120 ( -8.284 0.000 0.000) 8.284 10.130 ( -9.238 0.000 0.000) 9.238 10.342 ( -1.083 0.000 0.000) 1.083 10.393 ( -2.931 0.000 0.000) 2.931 10.877 ( -18.702 0.000 0.000) 18.702 11.553 ( 14.172 0.000 0.000) 14.172 11.565 ( -0.276 0.000 0.000) 0.276 12.189 ( -5.728 0.000 0.000) 5.728 12.230 ( -1.426 0.000 0.000) 1.426 12.508 ( 0.390 0.000 0.000) 0.390 12.986 ( 0.836 0.000 0.000) 0.836 13.032 ( -14.304 0.000 0.000) 14.304 13.231 ( -1.956 0.000 0.000) 1.956 13.816 ( 15.936 0.000 0.000) 15.936 13.830 ( 4.480 0.000 0.000) 4.480 14.338 ( 3.880 0.000 0.000) 3.880 15.463 ( -5.235 0.000 0.000) 5.235 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 37.622 0.000 0.000) 37.622 1.518 ( 38.091 0.000 0.000) 38.091 2.453 ( 59.763 0.000 0.000) 59.763 3.250 ( -21.404 0.000 0.000) 21.404 3.370 ( -21.712 0.000 0.000) 21.712 3.631 ( -9.194 0.000 0.000) 9.194 3.822 ( -19.416 0.000 0.000) 19.416 4.001 ( -3.393 0.000 0.000) 3.393 4.144 ( 0.768 0.000 0.000) 0.768 4.194 ( -7.827 0.000 0.000) 7.827 4.242 ( 1.195 0.000 0.000) 1.195 4.289 ( 1.009 0.000 0.000) 1.009 4.529 ( 5.449 0.000 0.000) 5.449 4.888 ( 4.670 0.000 0.000) 4.670 5.057 ( 8.436 0.000 0.000) 8.436 5.177 ( 0.810 0.000 0.000) 0.810 5.316 ( 6.000 0.000 0.000) 6.000 5.336 ( 19.519 0.000 0.000) 19.519 5.815 ( 1.456 0.000 0.000) 1.456 5.896 ( -29.030 0.000 0.000) 29.030 5.979 ( -14.649 0.000 0.000) 14.649 6.142 ( -11.139 0.000 0.000) 11.139 6.260 ( 22.547 0.000 0.000) 22.547 6.477 ( 5.091 0.000 0.000) 5.091 6.557 ( 1.309 0.000 0.000) 1.309 6.704 ( 5.815 0.000 0.000) 5.815 6.874 ( -7.350 0.000 0.000) 7.350 6.977 ( -5.517 0.000 0.000) 5.517 7.207 ( 4.360 0.000 0.000) 4.360 7.299 ( -14.659 0.000 0.000) 14.659 7.319 ( -8.341 0.000 0.000) 8.341 7.873 ( -7.510 0.000 0.000) 7.510 7.885 ( 7.918 0.000 0.000) 7.918 8.277 ( -2.768 0.000 0.000) 2.768 8.298 ( 2.882 0.000 0.000) 2.882 8.416 ( 0.220 0.000 0.000) 0.220 8.446 ( -1.458 0.000 0.000) 1.458 8.509 ( 2.560 0.000 0.000) 2.560 8.655 ( 11.938 0.000 0.000) 11.938 8.744 ( 3.894 0.000 0.000) 3.894 8.794 ( -0.204 0.000 0.000) 0.204 8.851 ( 6.606 0.000 0.000) 6.606 8.980 ( 7.687 0.000 0.000) 7.687 9.104 ( -7.512 0.000 0.000) 7.512 9.154 ( 3.851 0.000 0.000) 3.851 9.272 ( 18.403 0.000 0.000) 18.403 9.334 ( 9.928 0.000 0.000) 9.928 9.335 ( -1.247 0.000 0.000) 1.247 9.681 ( 9.315 0.000 0.000) 9.315 9.903 ( -13.522 0.000 0.000) 13.522 9.939 ( -9.259 0.000 0.000) 9.259 10.262 ( -6.910 0.000 0.000) 6.910 10.308 ( -5.850 0.000 0.000) 5.850 10.513 ( -18.628 0.000 0.000) 18.628 11.581 ( 2.349 0.000 0.000) 2.349 11.797 ( 11.124 0.000 0.000) 11.124 12.029 ( -10.326 0.000 0.000) 10.326 12.187 ( -3.103 0.000 0.000) 3.103 12.524 ( 1.444 0.000 0.000) 1.444 12.799 ( -9.604 0.000 0.000) 9.604 13.011 ( 1.781 0.000 0.000) 1.781 13.180 ( -3.189 0.000 0.000) 3.189 13.936 ( 5.986 0.000 0.000) 5.986 14.048 ( 6.754 0.000 0.000) 6.754 14.492 ( 12.660 0.000 0.000) 12.660 15.315 ( -10.089 0.000 0.000) 10.089 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 34.500 0.000 0.000) 34.500 2.224 ( 34.785 0.000 0.000) 34.785 2.797 ( -27.283 0.000 0.000) 27.283 2.841 ( -28.302 0.000 0.000) 28.302 3.472 ( -4.914 0.000 0.000) 4.914 3.508 ( -9.740 0.000 0.000) 9.740 3.568 ( 49.377 0.000 0.000) 49.377 4.004 ( 2.546 0.000 0.000) 2.546 4.077 ( -4.830 0.000 0.000) 4.830 4.168 ( 1.773 0.000 0.000) 1.773 4.205 ( -3.855 0.000 0.000) 3.855 4.242 ( -12.672 0.000 0.000) 12.672 4.637 ( 6.747 0.000 0.000) 6.747 4.913 ( -23.407 0.000 0.000) 23.407 5.001 ( 6.598 0.000 0.000) 6.598 5.123 ( -5.445 0.000 0.000) 5.445 5.428 ( 10.201 0.000 0.000) 10.201 5.657 ( 12.837 0.000 0.000) 12.837 5.684 ( 7.983 0.000 0.000) 7.983 5.686 ( -15.115 0.000 0.000) 15.115 5.812 ( -3.278 0.000 0.000) 3.278 5.908 ( -12.760 0.000 0.000) 12.760 6.586 ( 8.110 0.000 0.000) 8.110 6.591 ( 6.656 0.000 0.000) 6.656 6.597 ( 2.610 0.000 0.000) 2.610 6.729 ( -7.533 0.000 0.000) 7.533 6.844 ( 8.690 0.000 0.000) 8.690 6.931 ( 4.032 0.000 0.000) 4.032 7.039 ( -11.534 0.000 0.000) 11.534 7.122 ( -11.810 0.000 0.000) 11.810 7.375 ( 11.947 0.000 0.000) 11.947 7.644 ( -14.554 0.000 0.000) 14.554 8.046 ( 8.366 0.000 0.000) 8.366 8.190 ( -6.183 0.000 0.000) 6.183 8.357 ( 3.021 0.000 0.000) 3.021 8.409 ( -2.328 0.000 0.000) 2.328 8.466 ( 3.538 0.000 0.000) 3.538 8.516 ( -1.282 0.000 0.000) 1.282 8.806 ( 2.323 0.000 0.000) 2.323 8.813 ( 2.653 0.000 0.000) 2.653 8.831 ( 4.265 0.000 0.000) 4.265 8.951 ( -7.715 0.000 0.000) 7.715 9.023 ( 11.188 0.000 0.000) 11.188 9.129 ( 4.014 0.000 0.000) 4.014 9.231 ( 3.915 0.000 0.000) 3.915 9.297 ( -2.744 0.000 0.000) 2.744 9.435 ( 2.381 0.000 0.000) 2.381 9.558 ( 0.702 0.000 0.000) 0.702 9.678 ( 0.829 0.000 0.000) 0.829 9.825 ( -4.183 0.000 0.000) 4.183 9.894 ( 12.793 0.000 0.000) 12.793 10.125 ( -4.143 0.000 0.000) 4.143 10.174 ( -16.241 0.000 0.000) 16.241 10.178 ( -6.940 0.000 0.000) 6.940 11.665 ( 6.384 0.000 0.000) 6.384 11.825 ( -10.007 0.000 0.000) 10.007 11.981 ( 7.978 0.000 0.000) 7.978 12.108 ( -5.256 0.000 0.000) 5.256 12.569 ( 3.285 0.000 0.000) 3.285 12.655 ( -5.745 0.000 0.000) 5.745 13.055 ( 2.754 0.000 0.000) 2.754 13.115 ( -3.385 0.000 0.000) 3.385 14.041 ( 4.465 0.000 0.000) 4.465 14.095 ( -0.827 0.000 0.000) 0.827 14.784 ( 16.181 0.000 0.000) 16.181 15.080 ( -14.079 0.000 0.000) 14.079 ======================= Grid point 8 (5/50) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 23.354 23.354 0.000) 33.027 1.076 ( 27.288 27.288 0.000) 38.591 1.860 ( 47.398 47.398 0.000) 67.031 3.582 ( -13.028 -13.028 0.000) 18.424 3.681 ( -3.965 -3.965 0.000) 5.607 3.685 ( -7.349 -7.349 0.000) 10.393 3.818 ( -9.942 -9.942 0.000) 14.060 4.086 ( -3.189 -3.189 0.000) 4.509 4.192 ( -6.722 -6.722 0.000) 9.507 4.225 ( -3.183 -3.183 0.000) 4.501 4.298 ( -0.834 -0.834 0.000) 1.179 4.300 ( -0.298 -0.298 0.000) 0.422 4.564 ( 7.099 7.099 0.000) 10.039 4.605 ( -5.900 -5.900 0.000) 8.343 4.947 ( 0.787 0.787 0.000) 1.113 5.136 ( 7.730 7.730 0.000) 10.931 5.200 ( 8.414 8.414 0.000) 11.900 5.258 ( 11.433 11.433 0.000) 16.169 5.732 ( -6.492 -6.492 0.000) 9.181 6.010 ( 18.488 18.488 0.000) 26.146 6.109 ( -6.144 -6.144 0.000) 8.690 6.295 ( -3.962 -3.962 0.000) 5.603 6.336 ( -9.967 -9.967 0.000) 14.096 6.382 ( -0.231 -0.231 0.000) 0.327 6.629 ( 2.260 2.260 0.000) 3.196 6.632 ( 4.313 4.313 0.000) 6.099 6.915 ( -7.668 -7.668 0.000) 10.845 7.070 ( -4.082 -4.082 0.000) 5.773 7.075 ( -3.284 -3.284 0.000) 4.644 7.424 ( -1.869 -1.869 0.000) 2.643 7.522 ( -9.841 -9.841 0.000) 13.917 7.780 ( 2.613 2.613 0.000) 3.695 7.973 ( 3.211 3.211 0.000) 4.542 8.254 ( -1.923 -1.923 0.000) 2.719 8.257 ( -0.055 -0.055 0.000) 0.078 8.452 ( 6.769 6.769 0.000) 9.572 8.474 ( -1.241 -1.241 0.000) 1.754 8.549 ( 2.460 2.460 0.000) 3.478 8.550 ( -5.545 -5.545 0.000) 7.842 8.560 ( 3.598 3.598 0.000) 5.089 8.741 ( 3.918 3.918 0.000) 5.541 8.789 ( -0.856 -0.856 0.000) 1.210 8.915 ( 2.349 2.349 0.000) 3.323 9.001 ( 0.182 0.182 0.000) 0.257 9.113 ( 2.288 2.288 0.000) 3.236 9.123 ( 14.278 14.278 0.000) 20.192 9.257 ( 0.392 0.392 0.000) 0.554 9.516 ( 6.623 6.623 0.000) 9.366 9.602 ( 6.291 6.291 0.000) 8.897 9.934 ( -17.464 -17.464 0.000) 24.698 10.046 ( -7.351 -7.351 0.000) 10.396 10.208 ( -1.996 -1.996 0.000) 2.823 10.361 ( -3.345 -3.345 0.000) 4.731 11.139 ( -1.576 -1.576 0.000) 2.229 11.333 ( 1.074 1.074 0.000) 1.519 11.644 ( 2.120 2.120 0.000) 2.998 12.126 ( -5.957 -5.957 0.000) 8.425 12.220 ( -1.722 -1.722 0.000) 2.435 12.508 ( 0.298 0.298 0.000) 0.421 12.943 ( -8.486 -8.486 0.000) 12.000 12.967 ( -0.568 -0.568 0.000) 0.803 13.167 ( -3.957 -3.957 0.000) 5.596 13.880 ( 4.912 4.912 0.000) 6.947 13.984 ( 13.535 13.535 0.000) 19.142 14.357 ( 2.465 2.465 0.000) 3.486 15.434 ( -4.070 -4.070 0.000) 5.756 ======================= Grid point 9 (6/50) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 35.770 5.689 0.000) 36.220 1.678 ( 33.286 15.754 0.000) 36.826 2.831 ( 49.922 33.567 0.000) 60.158 3.261 ( -18.035 0.190 0.000) 18.036 3.391 ( -19.427 1.854 0.000) 19.516 3.603 ( -15.037 -15.946 0.000) 21.918 3.614 ( -5.929 -3.350 0.000) 6.810 3.960 ( -4.656 -2.234 0.000) 5.164 4.122 ( -5.595 -6.070 0.000) 8.255 4.125 ( 0.324 -4.444 0.000) 4.455 4.273 ( -2.877 -1.160 0.000) 3.102 4.379 ( 5.021 -9.592 0.000) 10.827 4.414 ( -3.209 9.760 0.000) 10.274 4.827 ( 10.111 -10.432 0.000) 14.528 4.995 ( 2.876 -0.704 0.000) 2.961 5.246 ( 7.397 2.889 0.000) 7.941 5.285 ( -1.207 7.529 0.000) 7.625 5.583 ( 14.112 15.280 0.000) 20.800 5.595 ( -6.628 -16.243 0.000) 17.543 5.977 ( -20.639 9.449 0.000) 22.699 5.989 ( -8.383 -0.544 0.000) 8.401 6.196 ( -3.456 2.079 0.000) 4.033 6.394 ( 17.693 8.922 0.000) 19.815 6.418 ( 3.597 -5.218 0.000) 6.338 6.630 ( -1.756 6.381 0.000) 6.618 6.745 ( 6.655 4.828 0.000) 8.222 6.776 ( -6.707 -7.960 0.000) 10.409 6.918 ( -8.130 -4.761 0.000) 9.421 7.104 ( 4.803 -10.091 0.000) 11.176 7.357 ( -5.194 2.988 0.000) 5.992 7.358 ( -5.917 5.056 0.000) 7.783 7.829 ( -0.149 0.416 0.000) 0.442 7.998 ( 0.001 5.389 0.000) 5.389 8.223 ( -1.793 -5.237 0.000) 5.536 8.277 ( 2.278 -1.263 0.000) 2.605 8.398 ( -1.497 -1.142 0.000) 1.883 8.494 ( -2.004 -0.795 0.000) 2.156 8.540 ( 0.808 0.996 0.000) 1.283 8.586 ( 2.577 -5.237 0.000) 5.837 8.658 ( 4.494 -3.380 0.000) 5.623 8.775 ( 1.883 0.922 0.000) 2.097 8.883 ( 7.608 2.833 0.000) 8.118 8.919 ( -0.710 -2.165 0.000) 2.279 9.083 ( 3.865 -3.583 0.000) 5.270 9.167 ( 3.298 1.197 0.000) 3.509 9.271 ( 1.285 -0.365 0.000) 1.336 9.432 ( 16.422 13.292 0.000) 21.127 9.493 ( -8.844 1.109 0.000) 8.913 9.730 ( 1.094 0.785 0.000) 1.347 9.734 ( -0.146 -10.160 0.000) 10.161 9.895 ( -1.947 3.041 0.000) 3.611 10.157 ( -4.150 -3.249 0.000) 5.271 10.266 ( -6.429 -4.319 0.000) 7.745 10.830 ( -19.562 19.444 0.000) 27.581 11.504 ( 6.846 -7.576 0.000) 10.211 11.736 ( 8.100 -5.282 0.000) 9.670 11.971 ( -9.684 -5.519 0.000) 11.146 12.160 ( -4.398 -3.283 0.000) 5.488 12.524 ( 1.439 0.162 0.000) 1.448 12.773 ( -7.960 -2.661 0.000) 8.393 12.973 ( 0.995 -2.774 0.000) 2.947 13.102 ( -3.043 -6.231 0.000) 6.935 13.998 ( 6.718 5.941 0.000) 8.968 14.186 ( 4.754 12.587 0.000) 13.455 14.489 ( 12.649 -0.382 0.000) 12.655 15.301 ( -9.519 -2.106 0.000) 9.749 ======================= Grid point 10 (7/50) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 34.526 1.473 0.000) 34.558 2.312 ( 31.157 8.975 0.000) 32.424 2.837 ( -27.057 3.307 0.000) 27.259 2.912 ( -26.766 6.561 0.000) 27.558 3.367 ( -5.697 -10.400 0.000) 11.858 3.374 ( -3.095 -2.910 0.000) 4.248 3.880 ( 35.376 16.058 0.000) 38.850 3.967 ( 7.743 1.606 0.000) 7.908 4.028 ( -4.480 -5.081 0.000) 6.774 4.158 ( 3.590 0.349 0.000) 3.607 4.200 ( -4.022 -1.471 0.000) 4.282 4.378 ( -4.542 7.465 0.000) 8.738 4.481 ( 6.784 -11.677 0.000) 13.505 4.838 ( -24.632 0.868 0.000) 24.648 4.999 ( 8.477 -8.995 0.000) 12.360 5.171 ( -8.746 -1.146 0.000) 8.821 5.418 ( 3.474 5.323 0.000) 6.357 5.483 ( -5.262 -11.820 0.000) 12.939 5.510 ( 4.438 -0.988 0.000) 4.547 5.760 ( -14.217 2.094 0.000) 14.370 6.026 ( 13.009 19.358 0.000) 23.323 6.174 ( -1.874 12.076 0.000) 12.220 6.512 ( 6.068 -6.749 0.000) 9.075 6.582 ( -1.791 0.193 0.000) 1.801 6.590 ( 0.277 -3.663 0.000) 3.673 6.644 ( -7.165 -7.092 0.000) 10.081 6.861 ( 3.967 1.176 0.000) 4.137 6.867 ( 4.805 4.057 0.000) 6.288 7.164 ( -0.360 2.715 0.000) 2.739 7.231 ( -7.020 7.504 0.000) 10.276 7.398 ( 11.719 5.791 0.000) 13.072 7.672 ( -13.950 3.867 0.000) 14.476 8.062 ( 5.691 0.087 0.000) 5.692 8.166 ( -4.368 -3.825 0.000) 5.807 8.339 ( 3.795 -0.724 0.000) 3.864 8.404 ( -1.739 -0.074 0.000) 1.741 8.469 ( 1.854 -1.668 0.000) 2.493 8.522 ( -2.234 -0.687 0.000) 2.337 8.647 ( 4.438 -15.154 0.000) 15.790 8.714 ( 0.034 -9.726 0.000) 9.726 8.815 ( 1.435 1.248 0.000) 1.902 8.860 ( -4.551 -5.153 0.000) 6.875 9.028 ( 6.935 0.444 0.000) 6.949 9.116 ( -1.039 -2.276 0.000) 2.502 9.232 ( 3.260 0.172 0.000) 3.265 9.280 ( -1.209 -1.046 0.000) 1.599 9.387 ( 1.789 -6.051 0.000) 6.310 9.549 ( -12.237 -5.754 0.000) 13.522 9.714 ( 11.664 9.899 0.000) 15.298 9.806 ( 3.306 4.231 0.000) 5.369 10.064 ( -3.413 -3.320 0.000) 4.761 10.092 ( 13.461 14.068 0.000) 19.471 10.128 ( -4.669 -3.431 0.000) 5.794 10.449 ( -19.558 18.734 0.000) 27.082 11.621 ( 6.704 -4.093 0.000) 7.855 11.779 ( -9.543 -4.374 0.000) 10.498 11.907 ( 8.641 -7.657 0.000) 11.546 12.054 ( -6.559 -5.834 0.000) 8.778 12.568 ( 3.124 -0.052 0.000) 3.124 12.647 ( -5.221 -0.736 0.000) 5.272 13.002 ( 1.946 -4.349 0.000) 4.765 13.047 ( -2.658 -5.711 0.000) 6.300 14.119 ( 5.458 7.407 0.000) 9.201 14.197 ( -2.306 9.410 0.000) 9.689 14.784 ( 16.104 -0.157 0.000) 16.105 15.075 ( -13.692 -0.875 0.000) 13.720 ======================= Grid point 16 (8/50) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 22.462 22.462 0.000) 31.766 2.076 ( 24.173 24.173 0.000) 34.186 3.218 ( -5.156 -5.156 0.000) 7.292 3.300 ( -15.534 -15.534 0.000) 21.969 3.380 ( -7.561 -7.561 0.000) 10.693 3.476 ( -6.355 -6.355 0.000) 8.988 3.554 ( 34.447 34.447 0.000) 48.715 3.875 ( -8.506 -8.506 0.000) 12.029 3.995 ( -6.244 -6.244 0.000) 8.830 4.084 ( 9.600 9.600 0.000) 13.576 4.235 ( -2.491 -2.491 0.000) 3.522 4.296 ( -0.829 -0.829 0.000) 1.173 4.558 ( -8.385 -8.385 0.000) 11.858 4.559 ( 0.827 0.827 0.000) 1.169 5.056 ( 3.759 3.759 0.000) 5.316 5.255 ( -15.827 -15.827 0.000) 22.383 5.375 ( 9.974 9.974 0.000) 14.106 5.399 ( 1.256 1.256 0.000) 1.776 5.869 ( 8.819 8.819 0.000) 12.472 5.973 ( -2.370 -2.370 0.000) 3.352 6.188 ( -0.952 -0.952 0.000) 1.347 6.192 ( 7.176 7.176 0.000) 10.148 6.346 ( -0.856 -0.856 0.000) 1.210 6.393 ( -3.288 -3.288 0.000) 4.650 6.649 ( -6.920 -6.920 0.000) 9.787 6.736 ( 2.546 2.546 0.000) 3.600 6.864 ( 6.722 6.722 0.000) 9.507 6.867 ( -3.835 -3.835 0.000) 5.424 6.962 ( 4.298 4.298 0.000) 6.079 7.400 ( 0.667 0.667 0.000) 0.944 7.469 ( 6.644 6.644 0.000) 9.397 7.867 ( 2.077 2.077 0.000) 2.937 8.044 ( -2.072 -2.072 0.000) 2.930 8.118 ( -5.145 -5.145 0.000) 7.276 8.260 ( 0.252 0.252 0.000) 0.357 8.356 ( -3.491 -3.491 0.000) 4.937 8.370 ( -3.801 -3.801 0.000) 5.375 8.467 ( -5.672 -5.672 0.000) 8.021 8.544 ( -1.655 -1.655 0.000) 2.340 8.740 ( 5.178 5.178 0.000) 7.323 8.805 ( -11.808 -11.808 0.000) 16.699 8.833 ( 3.637 3.637 0.000) 5.143 8.959 ( 4.854 4.854 0.000) 6.864 9.041 ( 1.637 1.637 0.000) 2.314 9.197 ( 1.895 1.895 0.000) 2.680 9.275 ( 0.120 0.120 0.000) 0.170 9.317 ( -7.854 -7.854 0.000) 11.107 9.617 ( -9.698 -9.698 0.000) 13.715 9.703 ( 13.746 13.746 0.000) 19.440 9.768 ( 4.989 4.989 0.000) 7.056 10.096 ( 14.947 14.947 0.000) 21.139 10.115 ( -1.841 -1.841 0.000) 2.604 10.149 ( -7.464 -7.464 0.000) 10.555 11.053 ( -2.683 -2.683 0.000) 3.794 11.382 ( 1.497 1.497 0.000) 2.117 11.659 ( -1.324 -1.324 0.000) 1.873 11.837 ( -7.984 -7.984 0.000) 11.291 12.052 ( -7.752 -7.752 0.000) 10.962 12.536 ( 1.151 1.151 0.000) 1.628 12.704 ( -4.116 -4.116 0.000) 5.821 12.935 ( -1.091 -1.091 0.000) 1.543 12.999 ( -3.966 -3.966 0.000) 5.608 14.140 ( 8.147 8.147 0.000) 11.521 14.468 ( 2.903 2.903 0.000) 4.106 14.472 ( 10.982 10.982 0.000) 15.530 15.213 ( -7.140 -7.140 0.000) 10.097 ======================= Grid point 17 (9/50) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 28.307 9.414 0.000) 29.832 2.550 ( 21.310 14.599 0.000) 25.831 2.886 ( -21.409 1.182 0.000) 21.442 3.064 ( -21.186 8.381 0.000) 22.784 3.210 ( 2.336 -5.101 0.000) 5.611 3.331 ( -8.944 -3.078 0.000) 9.459 3.798 ( 2.897 -9.779 0.000) 10.199 3.887 ( -5.296 -9.112 0.000) 10.539 4.006 ( 11.485 -3.843 0.000) 12.111 4.169 ( -5.458 -1.337 0.000) 5.619 4.295 ( 0.863 -5.569 0.000) 5.636 4.352 ( -6.564 -7.636 0.000) 10.070 4.568 ( 33.151 32.115 0.000) 46.156 4.701 ( 8.906 -12.283 0.000) 15.172 4.964 ( -12.502 -15.206 0.000) 19.686 5.061 ( -6.757 11.018 0.000) 12.925 5.408 ( 1.218 0.749 0.000) 1.430 5.579 ( -1.208 8.850 0.000) 8.932 5.648 ( -8.912 16.375 0.000) 18.643 5.841 ( -10.539 5.397 0.000) 11.840 6.241 ( 5.766 -3.078 0.000) 6.537 6.333 ( 1.324 6.052 0.000) 6.195 6.381 ( 4.080 -5.277 0.000) 6.670 6.447 ( 6.286 -6.220 0.000) 8.843 6.509 ( -4.013 -6.817 0.000) 7.910 6.681 ( -8.334 5.651 0.000) 10.069 6.945 ( 9.162 4.545 0.000) 10.228 6.976 ( 3.926 6.390 0.000) 7.499 7.105 ( 9.022 -2.872 0.000) 9.468 7.332 ( -9.315 3.787 0.000) 10.055 7.627 ( 9.515 14.995 0.000) 17.759 7.809 ( -8.635 8.843 0.000) 12.359 7.996 ( 0.489 -8.060 0.000) 8.075 8.034 ( -3.322 -9.240 0.000) 9.819 8.307 ( 4.150 -3.337 0.000) 5.325 8.318 ( -0.933 -9.612 0.000) 9.658 8.370 ( -3.118 -11.953 0.000) 12.353 8.384 ( 3.573 -6.494 0.000) 7.412 8.493 ( -3.476 -1.496 0.000) 3.784 8.521 ( -11.886 -6.572 0.000) 13.582 8.841 ( 3.358 3.052 0.000) 4.538 8.874 ( 0.162 4.025 0.000) 4.028 9.050 ( 3.848 1.915 0.000) 4.298 9.082 ( 0.797 -0.153 0.000) 0.811 9.237 ( 2.125 0.298 0.000) 2.145 9.268 ( -0.604 -0.471 0.000) 0.766 9.284 ( 3.179 -3.743 0.000) 4.911 9.420 ( -9.699 -6.983 0.000) 11.951 9.862 ( 5.527 -2.223 0.000) 5.957 9.931 ( 9.264 9.049 0.000) 12.950 9.996 ( -7.815 -5.719 0.000) 9.684 10.062 ( -4.292 4.846 0.000) 6.473 10.423 ( 18.580 17.388 0.000) 25.447 10.790 ( -18.613 15.416 0.000) 24.169 11.526 ( 8.362 -5.595 0.000) 10.061 11.679 ( -8.075 -5.441 0.000) 9.737 11.711 ( 6.716 -10.969 0.000) 12.861 11.879 ( -9.585 -11.912 0.000) 15.290 12.570 ( 2.402 0.399 0.000) 2.435 12.628 ( -3.567 -1.171 0.000) 3.754 12.928 ( 0.322 -2.863 0.000) 2.881 12.947 ( -1.678 -3.993 0.000) 4.331 14.292 ( 7.191 9.702 0.000) 12.076 14.407 ( -4.610 11.132 0.000) 12.048 14.771 ( 14.853 -1.230 0.000) 14.904 15.029 ( -11.739 -4.174 0.000) 12.459 ======================= Grid point 24 (10/50) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( 13.624 13.624 0.000) 19.267 2.730 ( -2.811 -2.811 0.000) 3.975 2.958 ( 11.123 11.123 0.000) 15.731 3.154 ( -3.363 -3.363 0.000) 4.757 3.173 ( 1.387 1.387 0.000) 1.961 3.241 ( -4.642 -4.642 0.000) 6.565 3.626 ( -3.736 -3.736 0.000) 5.283 3.704 ( -8.845 -8.845 0.000) 12.509 4.015 ( 4.835 4.835 0.000) 6.837 4.162 ( -0.940 -0.940 0.000) 1.330 4.166 ( -8.052 -8.052 0.000) 11.387 4.209 ( -3.505 -3.505 0.000) 4.957 4.582 ( 0.287 0.287 0.000) 0.406 4.692 ( -10.420 -10.420 0.000) 14.736 5.107 ( 14.536 14.536 0.000) 20.558 5.178 ( 1.956 1.956 0.000) 2.766 5.542 ( 18.559 18.559 0.000) 26.246 5.769 ( 8.415 8.415 0.000) 11.901 5.902 ( -1.064 -1.064 0.000) 1.505 5.944 ( -0.986 -0.986 0.000) 1.395 6.189 ( 0.229 0.229 0.000) 0.323 6.215 ( -2.920 -2.920 0.000) 4.129 6.329 ( -0.134 -0.134 0.000) 0.189 6.374 ( -1.746 -1.746 0.000) 2.469 6.375 ( -4.684 -4.684 0.000) 6.624 6.607 ( -13.717 -13.717 0.000) 19.399 7.085 ( 3.972 3.972 0.000) 5.617 7.112 ( 1.568 1.568 0.000) 2.217 7.157 ( 16.760 16.760 0.000) 23.703 7.410 ( -0.675 -0.675 0.000) 0.955 7.729 ( -8.390 -8.390 0.000) 11.866 7.829 ( -10.826 -10.826 0.000) 15.310 7.905 ( 11.640 11.640 0.000) 16.461 7.986 ( 4.176 4.176 0.000) 5.906 8.198 ( -5.663 -5.663 0.000) 8.009 8.204 ( -4.526 -4.526 0.000) 6.401 8.246 ( -3.317 -3.317 0.000) 4.690 8.249 ( -1.759 -1.759 0.000) 2.487 8.450 ( -1.849 -1.849 0.000) 2.615 8.459 ( -2.046 -2.046 0.000) 2.893 8.914 ( 3.089 3.089 0.000) 4.368 8.932 ( 1.362 1.362 0.000) 1.926 9.093 ( 2.033 2.033 0.000) 2.875 9.102 ( 1.188 1.188 0.000) 1.681 9.245 ( 0.169 0.169 0.000) 0.239 9.245 ( 0.557 0.557 0.000) 0.788 9.258 ( -0.720 -0.720 0.000) 1.018 9.298 ( -5.093 -5.093 0.000) 7.202 9.801 ( -1.589 -1.589 0.000) 2.247 9.842 ( -5.619 -5.619 0.000) 7.947 10.116 ( 5.840 5.840 0.000) 8.258 10.151 ( 2.209 2.209 0.000) 3.123 10.750 ( 15.883 15.883 0.000) 22.462 10.958 ( -1.692 -1.692 0.000) 2.393 11.448 ( 1.768 1.768 0.000) 2.500 11.576 ( -2.314 -2.314 0.000) 3.272 11.588 ( -3.986 -3.986 0.000) 5.637 11.629 ( -12.474 -12.474 0.000) 17.642 12.583 ( 0.936 0.936 0.000) 1.324 12.605 ( -1.215 -1.215 0.000) 1.718 12.894 ( -0.777 -0.777 0.000) 1.099 12.898 ( -1.244 -1.244 0.000) 1.759 14.468 ( 7.922 7.922 0.000) 11.204 14.553 ( 1.258 1.258 0.000) 1.779 14.778 ( 4.317 4.317 0.000) 6.106 14.914 ( -7.529 -7.529 0.000) 10.648 ======================= Grid point 49 (11/50) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 0.000 37.608) 37.608 0.777 ( -0.000 -0.000 37.608) 37.608 1.293 ( -0.000 -0.000 63.086) 63.086 3.735 ( -0.000 -0.000 -2.255) 2.255 3.735 ( 0.000 0.000 -2.255) 2.255 4.117 ( 0.000 0.000 3.031) 3.031 4.117 ( -0.000 0.000 3.031) 3.031 4.130 ( 0.000 -0.000 -1.852) 1.852 4.154 ( 0.000 0.000 -5.734) 5.734 4.250 ( -0.000 0.000 12.090) 12.090 4.322 ( 0.000 0.000 0.312) 0.312 4.322 ( -0.000 -0.000 0.312) 0.312 4.498 ( -0.000 -0.000 13.323) 13.323 4.775 ( 0.000 0.000 -1.642) 1.642 4.775 ( 0.000 0.000 -1.642) 1.642 4.982 ( 0.000 0.000 4.858) 4.858 5.176 ( 0.000 0.000 0.045) 0.045 5.176 ( 0.000 0.000 0.045) 0.045 5.486 ( 0.000 0.000 9.503) 9.503 5.834 ( -0.000 -0.000 2.328) 2.328 5.946 ( 0.000 0.000 -25.513) 25.513 6.290 ( 0.000 0.000 -3.097) 3.097 6.303 ( 0.000 0.000 -8.309) 8.309 6.466 ( 0.000 0.000 -5.232) 5.232 6.466 ( 0.000 0.000 -5.232) 5.232 6.999 ( 0.000 0.000 19.778) 19.778 7.174 ( -0.000 0.000 3.231) 3.231 7.174 ( -0.000 -0.000 3.231) 3.231 7.497 ( -0.000 0.000 1.344) 1.344 7.621 ( -0.000 0.000 2.339) 2.339 7.653 ( 0.000 0.000 -5.097) 5.097 7.653 ( 0.000 0.000 -5.097) 5.097 8.116 ( -0.000 -0.000 -3.497) 3.497 8.236 ( 0.000 -0.000 -3.145) 3.145 8.236 ( 0.000 0.000 -3.145) 3.145 8.252 ( -0.000 0.000 -7.659) 7.659 8.252 ( -0.000 -0.000 -7.659) 7.659 8.356 ( -0.000 0.000 -0.142) 0.142 8.356 ( 0.000 0.000 -0.142) 0.142 8.462 ( 0.000 0.000 -5.101) 5.101 8.572 ( 0.000 0.000 -5.451) 5.451 8.927 ( 0.000 0.000 10.594) 10.594 8.971 ( 0.000 0.000 -4.918) 4.918 9.017 ( -0.000 0.000 11.460) 11.460 9.017 ( 0.000 0.000 11.460) 11.460 9.060 ( 0.000 -0.000 -0.494) 0.494 9.106 ( 0.000 0.000 -10.777) 10.777 9.390 ( 0.000 0.000 4.156) 4.156 9.390 ( 0.000 0.000 4.156) 4.156 9.642 ( 0.000 0.000 10.434) 10.434 9.727 ( 0.000 0.000 -24.678) 24.678 10.523 ( 0.000 0.000 8.319) 8.319 11.141 ( 0.000 0.000 -2.784) 2.784 11.141 ( 0.000 0.000 -2.784) 2.784 11.256 ( 0.000 0.000 -4.824) 4.824 12.047 ( -0.000 0.000 -7.408) 7.408 12.225 ( 0.000 0.000 -1.764) 1.764 12.225 ( 0.000 0.000 -1.764) 1.764 12.641 ( 0.000 0.000 12.351) 12.351 12.970 ( 0.000 0.000 -0.758) 0.758 12.970 ( 0.000 0.000 -0.758) 0.758 13.232 ( 0.000 0.000 -1.748) 1.748 13.232 ( -0.000 0.000 -1.748) 1.748 13.764 ( 0.000 0.000 -1.843) 1.843 14.314 ( 0.000 0.000 0.939) 0.939 15.296 ( -0.000 -0.000 -3.363) 3.363 ======================= Grid point 50 (12/50) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 25.428 0.000 25.868) 36.273 1.071 ( 26.155 0.000 26.025) 36.897 1.827 ( 44.921 0.000 44.799) 63.442 3.645 ( -15.798 0.000 -2.167) 15.946 3.676 ( -8.774 0.000 -2.019) 9.003 3.764 ( -10.028 0.000 0.401) 10.036 4.057 ( -6.763 0.000 -3.260) 7.507 4.170 ( 5.270 0.000 2.687) 5.915 4.183 ( -11.707 0.000 2.286) 11.928 4.219 ( -0.385 0.000 8.634) 8.643 4.408 ( 2.185 0.000 2.494) 3.315 4.412 ( 3.527 0.000 3.721) 5.127 4.471 ( 0.094 0.000 10.345) 10.346 4.835 ( -0.100 0.000 0.576) 0.584 4.836 ( 5.543 0.000 -3.621) 6.620 4.972 ( 6.476 0.000 -2.554) 6.962 5.127 ( 6.198 0.000 4.501) 7.659 5.215 ( 3.962 0.000 0.114) 3.963 5.821 ( 7.847 0.000 2.613) 8.270 5.842 ( 15.815 0.000 4.448) 16.428 5.955 ( -1.241 0.000 -19.873) 19.912 6.151 ( -8.345 0.000 -7.145) 10.986 6.234 ( -6.096 0.000 -6.608) 8.991 6.480 ( 1.335 0.000 -4.636) 4.824 6.543 ( 4.236 0.000 -3.863) 5.733 6.827 ( -14.787 0.000 18.367) 23.579 7.118 ( -5.150 0.000 2.351) 5.661 7.152 ( -8.271 0.000 2.554) 8.656 7.280 ( -7.414 0.000 9.763) 12.259 7.470 ( -3.201 0.000 2.468) 4.042 7.685 ( 3.360 0.000 -6.581) 7.389 7.738 ( -12.653 0.000 4.514) 13.434 7.896 ( -4.005 0.000 -0.771) 4.079 8.222 ( -2.411 0.000 -11.417) 11.669 8.269 ( 2.538 0.000 1.145) 2.784 8.287 ( -2.005 0.000 -14.735) 14.871 8.351 ( 5.561 0.000 -2.499) 6.096 8.363 ( 0.847 0.000 -0.138) 0.858 8.497 ( 7.752 0.000 -2.628) 8.185 8.599 ( 12.464 0.000 -5.219) 13.513 8.634 ( 7.945 0.000 -5.866) 9.876 8.796 ( -3.062 0.000 4.777) 5.674 8.994 ( -1.745 0.000 9.903) 10.055 9.021 ( 5.959 0.000 -4.269) 7.331 9.082 ( 1.972 0.000 -0.896) 2.166 9.132 ( 1.922 0.000 -7.204) 7.456 9.270 ( 13.653 0.000 11.255) 17.694 9.348 ( -3.823 0.000 3.504) 5.186 9.618 ( 11.179 0.000 -13.331) 17.398 9.675 ( 3.387 0.000 9.660) 10.237 9.695 ( -1.779 0.000 -23.156) 23.225 10.474 ( -5.104 0.000 8.310) 9.752 10.853 ( -17.959 0.000 -2.296) 18.105 10.957 ( -15.920 0.000 11.275) 19.508 11.504 ( 13.979 0.000 -4.773) 14.771 11.672 ( -13.509 0.000 5.184) 14.469 12.152 ( -7.113 0.000 -2.634) 7.585 12.209 ( -1.702 0.000 -2.040) 2.657 12.654 ( 0.899 0.000 12.567) 12.599 12.977 ( 0.810 0.000 -0.784) 1.127 12.981 ( -8.197 0.000 -3.425) 8.884 13.213 ( -1.902 0.000 -1.694) 2.547 13.553 ( 20.462 0.000 -12.930) 24.205 13.858 ( 8.742 0.000 -1.784) 8.922 14.338 ( 3.042 0.000 0.190) 3.048 15.320 ( -0.857 0.000 -8.124) 8.169 ======================= Grid point 51 (13/50) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 34.241 0.000 12.156) 36.335 1.651 ( 32.203 0.000 14.307) 35.238 2.780 ( 50.104 0.000 28.087) 57.439 3.266 ( -20.581 0.000 1.436) 20.631 3.392 ( -19.035 0.000 2.719) 19.228 3.585 ( -10.432 0.000 -3.380) 10.966 3.891 ( -17.981 0.000 4.957) 18.652 3.984 ( 0.333 0.000 -0.080) 0.343 4.224 ( 0.488 0.000 7.280) 7.297 4.281 ( 4.518 0.000 2.763) 5.296 4.295 ( -8.315 0.000 8.390) 11.812 4.402 ( -0.848 0.000 11.136) 11.168 4.557 ( 5.358 0.000 3.112) 6.196 4.855 ( 4.485 0.000 -2.919) 5.351 4.955 ( 5.163 0.000 -8.588) 10.021 5.186 ( -0.467 0.000 0.160) 0.494 5.306 ( 19.262 0.000 -2.029) 19.369 5.317 ( 5.811 0.000 -0.049) 5.812 5.806 ( -11.613 0.000 -6.322) 13.222 5.845 ( 1.357 0.000 2.917) 3.217 5.995 ( -13.429 0.000 -1.364) 13.498 6.077 ( -11.039 0.000 -3.755) 11.660 6.270 ( 19.851 0.000 0.897) 19.871 6.511 ( -2.951 0.000 2.500) 3.868 6.517 ( 2.765 0.000 -3.123) 4.171 6.706 ( 5.478 0.000 1.874) 5.790 6.946 ( -10.019 0.000 3.101) 10.488 7.009 ( -5.101 0.000 2.258) 5.578 7.260 ( 1.102 0.000 4.668) 4.796 7.367 ( -7.500 0.000 3.880) 8.444 7.426 ( -14.792 0.000 10.260) 18.002 7.776 ( 5.926 0.000 -9.181) 10.927 7.852 ( -5.029 0.000 -2.828) 5.770 8.151 ( -4.867 0.000 -11.605) 12.584 8.256 ( -0.570 0.000 -13.790) 13.802 8.327 ( 3.145 0.000 0.660) 3.214 8.361 ( -3.597 0.000 -11.189) 11.753 8.390 ( 1.738 0.000 0.983) 1.997 8.622 ( 6.986 0.000 -0.519) 7.005 8.776 ( 6.473 0.000 -6.546) 9.205 8.815 ( 8.461 0.000 -7.785) 11.498 8.908 ( 12.254 0.000 6.685) 13.959 8.964 ( -1.183 0.000 9.794) 9.865 9.108 ( -1.755 0.000 -0.090) 1.758 9.157 ( 1.920 0.000 -0.773) 2.069 9.199 ( 10.952 0.000 -7.607) 13.335 9.282 ( -1.908 0.000 -1.004) 2.156 9.454 ( 2.937 0.000 -3.424) 4.511 9.639 ( -0.310 0.000 -5.697) 5.705 9.732 ( 0.639 0.000 -11.135) 11.153 9.772 ( 6.737 0.000 7.507) 10.087 10.342 ( -7.393 0.000 8.232) 11.065 10.507 ( -17.593 0.000 -0.531) 17.601 10.669 ( -13.164 0.000 16.902) 21.423 11.572 ( 0.306 0.000 -1.265) 1.301 11.747 ( 11.171 0.000 -4.934) 12.212 11.981 ( -9.920 0.000 -3.549) 10.535 12.158 ( -3.573 0.000 -2.786) 4.531 12.663 ( 0.077 0.000 11.979) 11.979 12.817 ( -7.334 0.000 1.902) 7.576 13.002 ( 1.716 0.000 -0.872) 1.925 13.164 ( -3.081 0.000 -1.532) 3.441 13.823 ( 9.659 0.000 -9.388) 13.469 14.022 ( 5.531 0.000 -3.026) 6.305 14.469 ( 11.289 0.000 -2.032) 11.470 15.228 ( -8.280 0.000 -7.248) 11.004 ======================= Grid point 52 (14/50) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 31.234 0.000 7.065) 32.023 2.283 ( 33.404 0.000 6.712) 34.072 2.826 ( -25.927 0.000 2.686) 26.065 2.882 ( -27.954 0.000 4.441) 28.304 3.458 ( -0.791 0.000 0.275) 0.837 3.575 ( -12.522 0.000 4.858) 13.432 3.749 ( 41.945 0.000 15.849) 44.839 4.041 ( 4.728 0.000 3.671) 5.986 4.152 ( -6.607 0.000 6.564) 9.313 4.210 ( -4.632 0.000 4.336) 6.345 4.315 ( 0.649 0.000 9.481) 9.503 4.382 ( -4.096 0.000 13.154) 13.777 4.656 ( 5.926 0.000 1.842) 6.205 4.879 ( -15.417 0.000 -3.363) 15.779 4.972 ( 7.072 0.000 -2.758) 7.590 5.107 ( -6.414 0.000 -1.574) 6.604 5.417 ( 7.320 0.000 -0.829) 7.367 5.639 ( 14.109 0.000 -1.228) 14.162 5.654 ( -16.239 0.000 -1.618) 16.320 5.704 ( 3.958 0.000 1.925) 4.402 5.824 ( -4.854 0.000 1.334) 5.034 5.868 ( -10.435 0.000 -2.206) 10.666 6.526 ( 6.678 0.000 -3.744) 7.655 6.584 ( 1.658 0.000 -2.256) 2.800 6.596 ( 8.174 0.000 -0.891) 8.222 6.765 ( -9.020 0.000 1.372) 9.124 6.868 ( 10.593 0.000 2.754) 10.945 6.996 ( 5.986 0.000 5.400) 8.062 7.103 ( -13.458 0.000 5.657) 14.599 7.187 ( -10.892 0.000 5.289) 12.108 7.419 ( 10.256 0.000 3.917) 10.979 7.665 ( -13.259 0.000 1.472) 13.341 7.904 ( 7.107 0.000 -11.137) 13.211 8.039 ( -6.617 0.000 -11.764) 13.497 8.266 ( 1.473 0.000 -16.369) 16.435 8.302 ( -2.211 0.000 -17.291) 17.432 8.384 ( 2.521 0.000 0.073) 2.522 8.411 ( -0.033 0.000 1.221) 1.221 8.748 ( 5.525 0.000 -2.577) 6.096 8.817 ( -1.214 0.000 -3.849) 4.036 8.961 ( 1.289 0.000 8.870) 8.963 9.008 ( 10.012 0.000 -8.297) 13.003 9.022 ( -4.887 0.000 5.780) 7.569 9.116 ( 4.203 0.000 1.484) 4.457 9.215 ( 3.106 0.000 -1.278) 3.359 9.260 ( -1.366 0.000 -2.429) 2.787 9.303 ( 3.557 0.000 -12.119) 12.630 9.493 ( -9.856 0.000 -6.474) 11.792 9.583 ( 9.739 0.000 -2.863) 10.151 9.756 ( -3.568 0.000 -1.013) 3.709 9.941 ( 10.873 0.000 4.470) 11.755 10.190 ( -14.935 0.000 1.712) 15.032 10.277 ( 3.129 0.000 12.229) 12.623 10.436 ( -11.169 0.000 15.960) 19.480 11.639 ( 6.122 0.000 -2.382) 6.569 11.791 ( -9.328 0.000 -2.875) 9.761 11.934 ( 8.304 0.000 -4.567) 9.477 12.069 ( -5.751 0.000 -3.750) 6.866 12.669 ( 0.979 0.000 9.116) 9.169 12.712 ( -3.681 0.000 5.414) 6.547 13.044 ( 2.641 0.000 -1.045) 2.840 13.101 ( -3.250 0.000 -1.289) 3.496 13.971 ( 5.961 0.000 -6.368) 8.723 14.049 ( -1.897 0.000 -4.419) 4.809 14.740 ( 15.275 0.000 -4.128) 15.823 15.019 ( -13.091 0.000 -5.626) 14.249 ======================= Grid point 57 (15/50) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 17.594 17.594 24.593) 34.984 1.301 ( 22.650 22.650 20.563) 38.064 2.242 ( 37.011 37.011 33.617) 62.207 3.564 ( -11.479 -11.479 -0.940) 16.261 3.603 ( -7.614 -7.614 -5.412) 12.051 3.731 ( -3.133 -3.133 3.802) 5.838 3.880 ( -7.034 -7.034 4.110) 10.764 4.115 ( -4.539 -4.539 2.682) 6.957 4.184 ( -6.543 -6.543 -0.442) 9.264 4.270 ( 0.382 0.382 4.613) 4.644 4.362 ( -0.990 -0.990 8.694) 8.806 4.439 ( -0.527 -0.527 9.820) 9.849 4.535 ( 6.236 6.236 -2.554) 9.181 4.657 ( -6.129 -6.129 6.021) 10.554 4.939 ( 1.259 1.259 -0.961) 2.024 5.069 ( 10.423 10.423 -7.901) 16.723 5.210 ( 3.453 3.453 -2.802) 5.630 5.240 ( 7.932 7.932 4.058) 11.929 5.778 ( -3.884 -3.884 3.879) 6.724 5.975 ( 0.376 0.376 -15.740) 15.749 6.051 ( 17.660 17.660 3.606) 25.234 6.100 ( -4.158 -4.158 -3.759) 6.979 6.153 ( -4.540 -4.540 -9.944) 11.836 6.514 ( 1.817 1.817 -7.139) 7.587 6.582 ( 2.248 2.248 -0.604) 3.236 6.746 ( -6.471 -6.471 14.657) 17.279 7.068 ( -11.018 -11.018 5.799) 16.626 7.112 ( -4.013 -4.013 3.128) 6.480 7.147 ( -3.806 -3.806 5.992) 8.055 7.449 ( -2.293 -2.293 2.200) 3.919 7.668 ( -8.451 -8.451 11.141) 16.339 7.700 ( 1.710 1.710 -7.481) 7.862 7.934 ( 3.387 3.387 -3.449) 5.902 8.171 ( -3.049 -3.049 -15.487) 16.076 8.267 ( -1.201 -1.201 0.789) 1.872 8.275 ( -0.322 -0.322 -4.523) 4.546 8.365 ( 1.407 1.407 -11.108) 11.285 8.423 ( 1.240 1.240 -3.431) 3.854 8.540 ( 4.370 4.370 0.337) 6.189 8.668 ( 4.906 4.906 1.613) 7.123 8.685 ( 5.002 5.002 -6.209) 9.412 8.742 ( -0.513 -0.513 -2.648) 2.746 8.983 ( -0.814 -0.814 10.306) 10.370 9.013 ( 1.866 1.866 -2.080) 3.361 9.100 ( 1.820 1.820 -1.183) 2.832 9.167 ( 2.814 2.814 -5.606) 6.875 9.370 ( 9.916 9.916 13.824) 19.692 9.517 ( 5.871 5.871 1.640) 8.463 9.558 ( -2.883 -2.883 -16.829) 17.316 9.644 ( -4.088 -4.088 -20.055) 20.872 9.730 ( 5.068 5.068 7.244) 10.190 10.434 ( -4.119 -4.119 8.348) 10.179 10.585 ( -14.040 -14.040 6.965) 21.042 11.134 ( -0.619 -0.619 -0.521) 1.019 11.436 ( -1.554 -1.554 4.930) 5.397 11.610 ( -1.150 -1.150 -2.720) 3.169 12.108 ( -5.894 -5.894 -1.545) 8.477 12.164 ( -2.862 -2.862 -3.905) 5.624 12.661 ( 0.544 0.544 12.635) 12.659 12.922 ( -6.043 -6.043 -1.409) 8.661 12.964 ( -0.332 -0.332 -0.235) 0.525 13.156 ( -3.651 -3.651 -0.985) 5.256 13.718 ( 11.267 11.267 -11.790) 19.822 13.968 ( 10.377 10.377 -2.645) 14.912 14.353 ( 1.909 1.909 -0.316) 2.719 15.311 ( -2.206 -2.206 -8.760) 9.298 ======================= Grid point 58 (16/50) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 29.360 8.072 14.939) 33.917 1.837 ( 30.973 15.541 14.260) 37.472 3.048 ( 40.489 25.016 19.317) 51.365 3.273 ( -16.697 0.027 1.417) 16.757 3.377 ( -14.793 -2.840 -0.960) 15.093 3.589 ( -9.285 0.192 3.292) 9.853 3.757 ( -10.920 -9.782 9.163) 17.288 3.957 ( -3.006 -0.772 -0.207) 3.111 4.162 ( 1.271 -8.089 3.020) 8.728 4.218 ( -5.197 -5.923 8.244) 11.404 4.376 ( 0.447 -2.131 10.167) 10.397 4.421 ( -2.818 8.290 0.732) 8.787 4.472 ( 1.181 -4.257 9.296) 10.292 4.793 ( 9.796 -9.058 -3.136) 13.705 4.972 ( 1.087 3.753 -2.509) 4.644 5.216 ( 5.707 0.324 -3.482) 6.693 5.275 ( -0.804 4.868 -1.907) 5.290 5.431 ( 10.841 1.990 -3.449) 11.549 5.719 ( -3.425 -4.335 2.591) 6.102 5.859 ( -9.715 4.683 -7.360) 13.057 6.036 ( -6.665 4.428 0.374) 8.010 6.114 ( 0.694 -0.441 -4.766) 4.836 6.379 ( 9.586 4.192 1.798) 10.616 6.495 ( 2.193 5.056 1.467) 5.702 6.548 ( -0.991 1.361 -3.502) 3.886 6.762 ( 6.502 5.533 2.193) 8.815 6.837 ( -10.028 -7.924 2.678) 13.059 6.999 ( -5.545 -2.472 5.837) 8.423 7.162 ( 3.448 -9.126 5.155) 11.034 7.364 ( -6.783 1.376 1.906) 7.178 7.500 ( -7.212 4.355 10.179) 13.213 7.739 ( 1.210 -0.718 -8.860) 8.971 7.957 ( -1.527 6.624 -4.255) 8.020 8.110 ( -3.378 -3.848 -13.399) 14.344 8.230 ( -1.864 -2.697 -5.647) 6.529 8.308 ( 1.153 -1.610 -5.106) 5.476 8.349 ( 1.676 0.101 -6.309) 6.528 8.431 ( -2.379 0.490 -5.007) 5.565 8.648 ( 5.805 3.828 -1.294) 7.073 8.689 ( 2.778 -12.871 4.520) 13.922 8.788 ( 4.422 0.249 -5.315) 6.919 8.834 ( 3.187 1.416 -1.567) 3.823 9.000 ( 4.055 1.130 5.975) 7.309 9.084 ( 2.766 -1.293 -1.147) 3.261 9.153 ( 3.988 0.202 -1.906) 4.424 9.217 ( 1.987 2.784 -2.131) 4.030 9.366 ( -9.603 -6.133 -11.035) 15.862 9.521 ( -0.550 3.742 -6.760) 7.746 9.576 ( 1.077 0.611 -3.075) 3.315 9.702 ( 9.804 2.274 2.529) 10.377 9.867 ( 8.914 8.634 5.698) 13.656 10.313 ( -7.763 -2.900 7.357) 11.082 10.372 ( -8.377 -7.569 5.801) 12.693 10.899 ( -17.161 15.002 6.070) 23.588 11.501 ( 3.983 -6.809 -0.611) 7.912 11.691 ( 8.527 -4.810 -4.321) 10.701 11.944 ( -9.798 -4.016 -2.272) 10.830 12.107 ( -3.645 -4.773 -4.018) 7.226 12.664 ( -0.203 -0.064 11.811) 11.813 12.793 ( -6.192 -2.494 1.961) 6.957 12.971 ( 0.982 -2.161 -0.045) 2.374 13.094 ( -2.982 -5.575 -0.776) 6.369 13.908 ( 8.674 7.464 -8.134) 14.040 14.144 ( 4.629 11.505 -4.142) 13.074 14.463 ( 11.018 -0.745 -2.380) 11.297 15.211 ( -8.112 -2.208 -7.707) 11.404 ======================= Grid point 59 (17/50) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( 30.458 3.117 6.872) 31.378 2.436 ( 29.146 10.469 10.176) 32.598 2.835 ( -24.913 3.031 2.028) 25.178 3.007 ( -24.153 9.391 7.113) 26.873 3.363 ( 0.377 -6.100 2.171) 6.486 3.477 ( -11.120 -6.533 7.036) 14.691 3.932 ( 21.596 4.023 4.271) 22.379 4.017 ( 8.483 1.572 4.650) 9.801 4.130 ( 0.734 2.048 8.713) 8.980 4.197 ( 1.541 -3.662 4.360) 5.899 4.335 ( 0.761 2.572 10.347) 10.689 4.433 ( -0.912 3.057 7.362) 8.023 4.535 ( 6.113 -8.558 5.760) 11.991 4.843 ( -17.793 1.751 0.515) 17.886 4.971 ( 9.142 -5.733 -2.589) 11.097 5.159 ( -9.175 -1.308 -1.463) 9.382 5.387 ( 9.205 3.167 -2.545) 10.062 5.511 ( -2.121 -8.269 1.754) 8.715 5.544 ( -4.847 -1.822 3.964) 6.522 5.691 ( -12.711 1.280 -4.813) 13.652 5.990 ( 8.227 14.609 -2.812) 17.000 6.125 ( -2.764 10.403 -3.371) 11.280 6.504 ( 6.793 -7.305 -2.693) 10.333 6.540 ( 2.443 0.592 -2.511) 3.554 6.594 ( -1.313 -1.137 0.100) 1.740 6.678 ( -6.938 -3.970 1.500) 8.133 6.898 ( 6.803 4.144 4.587) 9.192 6.969 ( 1.386 0.816 8.043) 8.203 7.200 ( -1.127 4.181 2.884) 5.203 7.264 ( -3.826 3.134 3.182) 5.881 7.450 ( 6.165 6.323 3.864) 9.640 7.659 ( -10.493 1.266 -2.478) 10.855 7.946 ( 2.468 1.634 -9.246) 9.708 8.026 ( -4.945 -2.528 -12.206) 13.410 8.236 ( 2.387 -1.510 -11.869) 12.201 8.294 ( -2.961 0.685 -10.389) 10.825 8.387 ( 2.185 -1.777 -6.134) 6.750 8.412 ( 0.105 -1.654 -1.619) 2.316 8.750 ( 4.788 -1.167 -2.566) 5.556 8.759 ( 3.623 -12.254 5.174) 13.786 8.813 ( -1.363 -4.442 2.781) 5.415 8.838 ( -2.742 -7.352 0.727) 7.880 9.097 ( 1.229 -0.306 -2.067) 2.424 9.118 ( 4.356 -0.124 0.810) 4.432 9.202 ( -1.342 -3.401 -7.392) 8.247 9.221 ( 0.753 -1.333 -6.607) 6.782 9.282 ( 2.074 -1.847 -1.388) 3.105 9.397 ( -8.188 -5.751 -6.533) 11.950 9.696 ( 8.658 9.926 -1.396) 13.245 9.823 ( -0.904 6.801 0.725) 6.899 10.042 ( 7.771 5.565 2.010) 9.767 10.188 ( -7.051 -3.354 3.313) 8.482 10.296 ( 6.331 4.415 12.286) 14.509 10.561 ( -17.204 12.860 10.257) 23.803 11.597 ( 6.519 -3.874 -2.169) 7.887 11.750 ( -8.855 -4.021 -2.521) 10.047 11.871 ( 8.192 -6.499 -3.581) 11.053 12.013 ( -6.157 -5.762 -3.760) 9.233 12.665 ( 0.689 -0.568 8.792) 8.837 12.702 ( -3.263 -1.139 5.131) 6.186 12.999 ( 1.808 -3.632 -0.252) 4.064 13.040 ( -2.510 -5.021 -0.573) 5.643 14.055 ( 6.424 7.799 -6.076) 11.790 14.148 ( -2.948 9.215 -4.726) 10.768 14.734 ( 15.165 -0.783 -4.715) 15.901 15.007 ( -12.752 -1.414 -6.219) 14.258 ======================= Grid point 65 (18/50) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 20.223 20.223 14.251) 31.954 2.220 ( 23.300 23.300 13.199) 35.497 3.218 ( -10.998 -10.998 -2.917) 15.825 3.245 ( -3.886 -3.886 2.729) 6.136 3.519 ( -1.055 -1.055 7.831) 7.972 3.557 ( -6.235 -6.235 7.648) 11.672 3.656 ( 16.055 16.055 9.835) 24.743 3.894 ( -7.192 -7.192 1.728) 10.317 4.076 ( 1.750 1.750 2.289) 3.371 4.129 ( 3.720 3.720 9.928) 11.236 4.366 ( 1.872 1.872 12.012) 12.300 4.413 ( -2.228 -2.228 11.533) 11.956 4.547 ( -6.788 -6.788 -1.197) 9.674 4.573 ( 0.796 0.796 1.700) 2.039 5.071 ( 4.322 4.322 1.262) 6.241 5.181 ( -10.447 -10.447 -6.935) 16.321 5.336 ( 7.644 7.644 -3.493) 11.360 5.440 ( 1.570 1.570 3.942) 4.524 5.754 ( 2.932 2.932 -8.399) 9.367 5.933 ( -1.829 -1.829 -4.097) 4.846 6.025 ( -1.034 -1.034 -12.405) 12.491 6.206 ( 7.856 7.856 1.563) 11.219 6.418 ( -3.103 -3.103 1.012) 4.503 6.449 ( -0.795 -0.795 6.923) 7.014 6.620 ( -5.875 -5.875 -3.328) 8.950 6.770 ( 5.071 5.071 3.041) 7.790 6.893 ( 6.384 6.384 3.435) 9.660 6.940 ( -2.222 -2.222 5.576) 6.401 7.044 ( 2.026 2.026 7.727) 8.241 7.381 ( -0.877 -0.877 -2.259) 2.577 7.569 ( 3.542 3.542 7.795) 9.265 7.749 ( 0.998 0.998 -10.696) 10.788 8.018 ( -4.593 -4.593 -13.955) 15.393 8.049 ( -0.894 -0.894 0.707) 1.449 8.191 ( -0.708 -0.708 -4.498) 4.608 8.219 ( -2.940 -2.940 -7.617) 8.678 8.372 ( -3.239 -3.239 -4.621) 6.506 8.409 ( 0.800 0.800 -5.464) 5.580 8.491 ( -6.245 -6.245 5.340) 10.320 8.732 ( 3.893 3.893 -3.691) 6.628 8.800 ( 1.046 1.046 -5.240) 5.444 8.837 ( -6.411 -6.411 1.755) 9.236 9.024 ( 3.061 3.061 5.384) 6.909 9.082 ( 1.453 1.453 -1.550) 2.574 9.147 ( -4.266 -4.266 -10.119) 11.781 9.185 ( -0.947 -0.947 -3.415) 3.669 9.260 ( 1.079 1.079 0.339) 1.563 9.429 ( -6.202 -6.202 -11.343) 14.338 9.775 ( 5.794 5.794 -0.162) 8.195 9.803 ( 10.845 10.845 6.783) 16.770 10.051 ( 8.057 8.057 1.600) 11.506 10.191 ( -8.717 -8.717 2.957) 12.678 10.311 ( 2.374 2.374 9.946) 10.498 11.080 ( -2.086 -2.086 2.707) 4.004 11.386 ( 0.421 0.421 0.270) 0.654 11.625 ( -0.719 -0.719 -3.319) 3.471 11.827 ( -7.705 -7.705 -0.910) 10.934 11.996 ( -6.554 -6.554 -4.471) 10.291 12.655 ( -0.791 -0.791 10.250) 10.311 12.729 ( -3.637 -3.637 2.349) 5.654 12.943 ( -0.714 -0.714 1.067) 1.469 13.001 ( -3.514 -3.514 0.278) 4.977 14.071 ( 8.897 8.897 -6.546) 14.184 14.402 ( 10.214 10.214 -6.634) 15.896 14.443 ( 2.473 2.473 -2.301) 4.187 15.127 ( -6.754 -6.754 -7.788) 12.324 ======================= Grid point 66 (19/50) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 24.371 10.446 8.807) 27.940 2.668 ( 16.299 12.726 10.210) 23.061 2.915 ( -12.627 4.176 4.591) 14.070 3.186 ( -15.774 7.954 9.088) 19.866 3.265 ( -1.654 -2.784 6.219) 7.011 3.398 ( -10.765 -2.715 6.287) 12.759 3.840 ( 4.337 -7.862 3.462) 9.623 3.907 ( -0.120 -9.093 1.428) 9.205 4.086 ( 5.856 -5.233 7.011) 10.528 4.234 ( -5.575 0.484 5.577) 7.900 4.375 ( -1.342 -5.244 6.507) 8.464 4.387 ( -2.535 -6.211 5.559) 8.713 4.640 ( 21.363 15.945 6.443) 27.425 4.732 ( 12.866 -2.369 4.042) 13.693 4.941 ( -9.720 -10.018 -1.547) 14.044 5.090 ( -6.253 7.649 2.505) 10.192 5.460 ( 2.175 1.544 4.823) 5.511 5.537 ( 11.861 8.102 -5.921) 15.537 5.633 ( -14.774 11.377 0.083) 18.647 5.771 ( -11.136 6.582 -6.556) 14.503 6.121 ( 5.835 -3.505 -8.199) 10.657 6.197 ( -0.840 -0.843 -6.135) 6.249 6.375 ( -0.959 -6.947 -3.124) 7.678 6.459 ( -8.219 -8.301 -3.398) 12.165 6.600 ( 11.556 7.351 7.948) 15.835 6.780 ( -5.464 7.672 7.016) 11.745 6.990 ( 7.561 2.619 4.656) 9.258 7.037 ( 4.355 5.268 5.518) 8.784 7.154 ( 7.248 -2.053 4.442) 8.745 7.319 ( -6.297 1.298 -1.679) 6.645 7.645 ( 4.739 11.498 0.738) 12.458 7.742 ( -3.134 4.945 -8.102) 9.996 7.917 ( -4.187 -2.948 -7.822) 9.349 7.938 ( -5.326 -6.105 -8.720) 11.903 8.207 ( 2.267 -6.477 -5.181) 8.598 8.250 ( 2.319 -3.361 -3.786) 5.568 8.310 ( -2.111 -7.258 -5.476) 9.334 8.361 ( -4.519 -1.265 -6.335) 7.884 8.486 ( 4.849 -8.971 7.140) 12.449 8.636 ( -10.308 -10.377 6.174) 15.876 8.792 ( 2.285 2.474 -5.273) 6.257 8.816 ( 0.007 1.229 -5.877) 6.004 9.083 ( 1.687 1.380 -1.424) 2.604 9.106 ( -0.175 0.177 -2.671) 2.682 9.157 ( 5.094 -0.973 -7.323) 8.973 9.213 ( 1.268 -0.013 -3.210) 3.452 9.267 ( -0.098 -0.834 0.693) 1.089 9.309 ( -5.646 -3.746 -3.190) 7.489 9.857 ( 4.853 3.195 -0.760) 5.860 9.966 ( -1.344 5.388 -0.902) 5.626 10.037 ( 0.565 -3.136 5.326) 6.206 10.111 ( -2.332 -0.600 2.873) 3.749 10.505 ( 15.975 14.919 7.679) 23.168 10.841 ( -17.365 14.038 5.018) 22.887 11.509 ( 7.894 -4.964 -1.384) 9.427 11.650 ( -4.348 -6.046 -2.422) 7.831 11.706 ( 3.016 -8.998 -0.842) 9.527 11.852 ( -8.335 -10.702 -2.565) 13.805 12.646 ( 0.219 -1.165 6.898) 6.999 12.670 ( -2.266 -1.896 3.934) 4.920 12.940 ( 0.323 -2.105 1.341) 2.517 12.956 ( -1.427 -3.155 0.994) 3.602 14.234 ( 7.673 10.033 -5.579) 13.808 14.358 ( -5.070 11.494 -4.788) 13.444 14.704 ( 14.274 -2.334 -6.193) 15.734 14.952 ( -11.212 -4.565 -7.153) 14.061 ======================= Grid point 73 (20/50) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 11.893 11.893 7.538) 18.431 2.784 ( -3.687 -3.687 5.017) 7.236 3.068 ( 13.221 13.221 10.705) 21.545 3.252 ( 2.618 2.618 7.515) 8.377 3.274 ( -3.920 -3.920 11.030) 12.345 3.326 ( -4.115 -4.115 7.995) 9.889 3.698 ( -2.778 -2.778 6.331) 7.451 3.763 ( -6.499 -6.499 4.383) 10.182 4.057 ( 3.219 3.219 4.385) 6.321 4.188 ( -8.070 -8.070 2.381) 11.658 4.256 ( -1.008 -1.008 8.805) 8.920 4.292 ( -3.594 -3.594 8.281) 9.716 4.594 ( 0.561 0.561 1.303) 1.526 4.700 ( -9.685 -9.685 0.780) 13.718 5.121 ( 13.614 13.614 1.891) 19.345 5.205 ( 1.851 1.851 2.351) 3.519 5.579 ( 13.708 13.708 3.136) 19.638 5.712 ( 8.987 8.987 -5.450) 13.829 5.827 ( 1.413 1.413 -10.370) 10.561 5.873 ( -0.962 -0.962 -2.917) 3.219 6.025 ( 0.179 0.179 -12.590) 12.592 6.121 ( -6.523 -6.523 -8.093) 12.272 6.255 ( -2.707 -2.707 3.531) 5.207 6.314 ( -6.464 -6.464 -2.622) 9.510 6.660 ( 1.520 1.520 14.658) 14.815 6.785 ( -7.209 -7.209 12.351) 16.015 7.122 ( 11.692 11.692 -1.598) 16.612 7.151 ( 6.544 6.544 3.321) 9.833 7.183 ( 1.561 1.561 6.513) 6.877 7.338 ( -1.902 -1.902 -7.559) 8.023 7.699 ( -5.752 -5.752 -2.561) 8.528 7.725 ( -4.916 -4.916 -9.441) 11.725 7.926 ( 7.361 7.361 1.217) 10.480 7.935 ( 2.761 2.761 -6.911) 7.937 8.063 ( -4.380 -4.380 -8.579) 10.582 8.141 ( -7.189 -7.189 -3.975) 10.916 8.254 ( 0.423 0.423 0.113) 0.609 8.293 ( -3.069 -3.069 2.366) 4.944 8.433 ( 0.218 0.218 0.375) 0.486 8.481 ( -5.309 -5.309 2.342) 7.865 8.834 ( 1.614 1.614 -7.769) 8.098 8.842 ( 0.844 0.844 -8.092) 8.179 9.129 ( 1.270 1.270 -3.630) 4.050 9.138 ( 0.814 0.814 -8.326) 8.405 9.152 ( 2.946 2.946 2.160) 4.693 9.219 ( 0.498 0.498 -2.210) 2.320 9.228 ( -2.675 -2.675 -0.668) 3.841 9.256 ( -2.077 -2.077 1.449) 3.275 9.836 ( -1.370 -1.370 1.800) 2.645 9.879 ( -5.801 -5.801 1.942) 8.430 10.127 ( 4.907 4.907 0.931) 7.002 10.155 ( 1.825 1.825 0.142) 2.585 10.802 ( 14.940 14.940 5.100) 21.736 11.000 ( -1.510 -1.510 3.978) 4.515 11.445 ( 2.175 2.175 -0.098) 3.077 11.559 ( -1.995 -1.995 -1.526) 3.207 11.584 ( -4.164 -4.164 -0.485) 5.908 11.624 ( -11.493 -11.493 -0.425) 16.260 12.631 ( -0.236 -0.236 4.388) 4.400 12.639 ( -1.114 -1.114 3.260) 3.621 12.916 ( -0.514 -0.514 2.304) 2.416 12.919 ( -0.897 -0.897 2.183) 2.525 14.418 ( 8.482 8.482 -4.905) 12.959 14.518 ( 1.112 1.112 -3.393) 3.740 14.686 ( 3.994 3.994 -8.735) 10.402 14.830 ( -7.885 -7.885 -7.808) 13.613 ======================= Grid point 98 (21/50) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 0.000 35.458) 35.458 1.524 ( -0.000 -0.000 35.458) 35.458 2.563 ( 0.000 0.000 61.286) 61.286 3.676 ( 0.000 0.000 -3.484) 3.484 3.676 ( 0.000 0.000 -3.484) 3.484 4.009 ( 0.000 0.000 -7.767) 7.767 4.038 ( -0.000 -0.000 -6.666) 6.666 4.154 ( 0.000 0.000 0.059) 0.059 4.154 ( 0.000 0.000 0.059) 0.059 4.398 ( 0.000 -0.000 7.376) 7.376 4.398 ( 0.000 0.000 7.376) 7.376 4.578 ( 0.000 0.000 18.251) 18.251 4.675 ( 0.000 0.000 -8.282) 8.282 4.675 ( -0.000 -0.000 -8.282) 8.282 4.825 ( 0.000 0.000 16.705) 16.705 5.182 ( 0.000 0.000 0.425) 0.425 5.182 ( -0.000 0.000 0.425) 0.425 5.205 ( -0.000 -0.000 16.251) 16.251 5.447 ( -0.000 -0.000 -22.561) 22.561 5.712 ( 0.000 0.000 12.311) 12.311 5.887 ( 0.000 0.000 2.446) 2.446 6.136 ( -0.000 0.000 -5.159) 5.159 6.188 ( 0.000 0.000 -7.224) 7.224 6.376 ( -0.000 -0.000 -3.164) 3.164 6.376 ( 0.000 0.000 -3.164) 3.164 7.140 ( 0.000 0.000 -7.665) 7.665 7.140 ( -0.000 0.000 -7.665) 7.665 7.280 ( 0.000 0.000 5.348) 5.348 7.490 ( 0.000 0.000 -3.428) 3.428 7.542 ( 0.000 0.000 -5.332) 5.332 7.542 ( 0.000 0.000 -5.332) 5.332 7.698 ( 0.000 0.000 5.192) 5.192 8.070 ( -0.000 0.000 -3.581) 3.581 8.070 ( 0.000 -0.000 -3.581) 3.581 8.078 ( 0.000 0.000 0.387) 0.387 8.251 ( 0.000 0.000 0.357) 0.357 8.251 ( 0.000 0.000 0.357) 0.357 8.295 ( 0.000 0.000 -10.137) 10.137 8.319 ( 0.000 0.000 -23.591) 23.591 8.383 ( 0.000 0.000 1.556) 1.556 8.383 ( -0.000 0.000 1.556) 1.556 8.821 ( 0.000 0.000 -5.479) 5.479 8.912 ( -0.000 0.000 -7.134) 7.134 9.044 ( -0.000 0.000 -1.134) 1.134 9.155 ( 0.000 0.000 10.523) 10.523 9.220 ( 0.000 -0.000 8.532) 8.532 9.220 ( 0.000 0.000 8.532) 8.532 9.380 ( 0.000 0.000 -8.255) 8.255 9.511 ( -0.000 -0.000 7.169) 7.169 9.511 ( 0.000 0.000 7.169) 7.169 9.860 ( 0.000 0.000 10.949) 10.949 10.609 ( 0.000 0.000 1.821) 1.821 11.054 ( 0.000 0.000 -5.750) 5.750 11.054 ( 0.000 0.000 -5.750) 5.750 11.113 ( 0.000 0.000 -9.082) 9.082 11.831 ( 0.000 -0.000 -13.475) 13.475 12.179 ( 0.000 0.000 -2.463) 2.463 12.179 ( 0.000 -0.000 -2.463) 2.463 12.946 ( 0.000 0.000 16.014) 16.014 12.953 ( 0.000 0.000 -0.763) 0.763 12.953 ( -0.000 -0.000 -0.763) 0.763 13.183 ( -0.000 -0.000 -2.938) 2.938 13.183 ( 0.000 0.000 -2.938) 2.938 13.712 ( 0.000 0.000 -3.135) 3.135 14.350 ( 0.000 0.000 2.907) 2.907 15.195 ( 0.000 0.000 -6.543) 6.543 ======================= Grid point 99 (22/50) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 13.639 0.000 33.477) 36.148 1.667 ( 14.087 0.000 30.630) 33.714 2.839 ( 26.365 0.000 52.055) 58.351 3.610 ( -10.178 0.000 -1.105) 10.238 3.656 ( -3.320 0.000 -0.119) 3.322 3.722 ( -13.621 0.000 -4.560) 14.364 3.963 ( -4.865 0.000 -5.637) 7.446 4.214 ( 5.286 0.000 0.843) 5.353 4.279 ( -8.003 0.000 6.001) 10.003 4.399 ( 0.119 0.000 8.697) 8.698 4.425 ( 8.871 0.000 0.428) 8.882 4.553 ( -3.201 0.000 -2.088) 3.822 4.658 ( 1.906 0.000 11.859) 12.011 4.806 ( 13.461 0.000 -7.661) 15.488 4.853 ( 1.624 0.000 10.982) 11.102 4.964 ( -13.484 0.000 4.076) 14.086 5.209 ( 3.557 0.000 -1.360) 3.808 5.282 ( 4.273 0.000 12.010) 12.747 5.584 ( 11.385 0.000 -15.994) 19.632 5.885 ( 2.360 0.000 3.502) 4.223 5.965 ( 17.520 0.000 7.132) 18.916 5.995 ( -11.812 0.000 -6.331) 13.402 6.109 ( -4.718 0.000 -5.264) 7.069 6.395 ( 1.796 0.000 -3.429) 3.871 6.469 ( 6.266 0.000 -3.442) 7.149 7.082 ( -5.596 0.000 -4.054) 6.910 7.096 ( -3.908 0.000 -5.444) 6.702 7.151 ( -15.922 0.000 6.315) 17.129 7.428 ( -4.319 0.000 4.646) 6.343 7.488 ( -0.500 0.000 -3.411) 3.448 7.531 ( -0.680 0.000 -6.378) 6.414 7.726 ( -3.220 0.000 -2.383) 4.006 7.928 ( -9.397 0.000 1.259) 9.481 7.977 ( -7.071 0.000 -12.854) 14.671 8.041 ( -2.970 0.000 -4.015) 4.994 8.233 ( -0.640 0.000 -12.804) 12.820 8.281 ( 2.448 0.000 0.181) 2.454 8.392 ( 1.153 0.000 1.341) 1.769 8.394 ( 9.148 0.000 -6.768) 11.380 8.492 ( 8.999 0.000 -6.220) 10.940 8.531 ( 13.531 0.000 -2.849) 13.827 8.822 ( -0.495 0.000 -7.663) 7.679 8.935 ( 2.190 0.000 -6.989) 7.324 8.980 ( -5.012 0.000 8.213) 9.622 9.056 ( 1.063 0.000 -1.475) 1.818 9.218 ( -0.149 0.000 8.183) 8.184 9.337 ( -0.267 0.000 -3.760) 3.770 9.467 ( 8.580 0.000 1.498) 8.710 9.470 ( -3.940 0.000 7.430) 8.410 9.593 ( 8.212 0.000 5.513) 9.891 9.886 ( 2.561 0.000 10.908) 11.205 10.555 ( -5.073 0.000 1.126) 5.196 10.784 ( -15.471 0.000 -4.434) 16.094 11.032 ( -2.772 0.000 -0.641) 2.845 11.361 ( 13.360 0.000 -9.133) 16.183 11.653 ( -12.159 0.000 -6.553) 13.812 12.106 ( -7.663 0.000 -1.747) 7.860 12.154 ( -2.602 0.000 -3.057) 4.014 12.916 ( -2.329 0.000 4.287) 4.879 12.959 ( 0.708 0.000 -0.837) 1.097 12.976 ( 0.163 0.000 10.459) 10.460 13.166 ( -1.705 0.000 -2.800) 3.278 13.350 ( 14.222 0.000 -7.645) 16.147 13.795 ( 7.588 0.000 -4.031) 8.592 14.354 ( 0.817 0.000 1.634) 1.827 15.165 ( -3.325 0.000 -7.860) 8.535 ======================= Grid point 100 (23/50) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 21.500 0.000 20.660) 29.818 2.027 ( 23.787 0.000 26.010) 35.247 3.299 ( -19.293 0.000 1.360) 19.341 3.377 ( 6.606 0.000 19.593) 20.677 3.526 ( -7.150 0.000 -1.802) 7.373 3.570 ( 13.308 0.000 23.147) 26.700 3.900 ( -5.518 0.000 -2.776) 6.177 4.102 ( -5.624 0.000 9.588) 11.116 4.320 ( 5.394 0.000 0.579) 5.425 4.398 ( -0.116 0.000 8.974) 8.975 4.463 ( -5.465 0.000 6.367) 8.391 4.548 ( 2.863 0.000 -8.088) 8.580 4.727 ( 4.413 0.000 20.212) 20.688 4.798 ( 0.491 0.000 -1.711) 1.780 4.883 ( 1.642 0.000 5.560) 5.797 5.107 ( 8.070 0.000 -7.789) 11.216 5.305 ( 5.212 0.000 -1.390) 5.394 5.354 ( 8.059 0.000 7.546) 11.041 5.686 ( -4.693 0.000 -4.322) 6.380 5.881 ( 0.473 0.000 -8.947) 8.959 5.927 ( 1.194 0.000 4.760) 4.907 6.031 ( -1.650 0.000 -1.478) 2.216 6.289 ( 13.028 0.000 0.695) 13.046 6.451 ( 4.476 0.000 -3.367) 5.602 6.558 ( -1.740 0.000 1.854) 2.543 6.785 ( -11.573 0.000 3.777) 12.174 6.954 ( -7.259 0.000 -1.392) 7.391 7.031 ( -1.248 0.000 -0.685) 1.424 7.387 ( -1.767 0.000 7.594) 7.797 7.430 ( -5.522 0.000 1.174) 5.646 7.549 ( -12.583 0.000 -2.090) 12.756 7.563 ( 4.066 0.000 -10.757) 11.500 7.764 ( -6.500 0.000 -3.239) 7.263 7.888 ( -2.325 0.000 -21.255) 21.382 7.957 ( -5.737 0.000 -5.261) 7.784 8.182 ( -7.615 0.000 -6.859) 10.248 8.323 ( 1.913 0.000 -0.488) 1.974 8.423 ( 1.300 0.000 0.333) 1.342 8.572 ( 8.130 0.000 -5.555) 9.847 8.639 ( 6.385 0.000 -7.056) 9.516 8.675 ( 2.944 0.000 -5.236) 6.007 8.902 ( 6.632 0.000 -11.635) 13.392 8.988 ( 3.012 0.000 -5.703) 6.450 9.017 ( 7.748 0.000 0.999) 7.812 9.075 ( 0.629 0.000 -2.234) 2.321 9.220 ( 0.522 0.000 7.104) 7.123 9.349 ( 3.694 0.000 -2.204) 4.302 9.378 ( -4.956 0.000 7.591) 9.065 9.521 ( -2.310 0.000 -3.224) 3.966 9.770 ( 6.434 0.000 3.413) 7.283 9.956 ( 4.759 0.000 10.443) 11.477 10.458 ( -2.944 0.000 3.962) 4.936 10.496 ( -14.122 0.000 -0.397) 14.128 10.927 ( -8.204 0.000 8.605) 11.889 11.519 ( -1.060 0.000 -3.941) 4.081 11.599 ( 11.359 0.000 -9.407) 14.748 11.921 ( -10.477 0.000 -1.976) 10.662 12.080 ( -5.092 0.000 -4.669) 6.909 12.870 ( -1.858 0.000 4.291) 4.676 12.955 ( -2.207 0.000 14.298) 14.467 12.981 ( 1.499 0.000 -1.055) 1.832 13.122 ( -2.720 0.000 -2.417) 3.639 13.612 ( 11.977 0.000 -10.297) 15.795 13.932 ( 4.286 0.000 -5.426) 6.914 14.421 ( 7.327 0.000 -2.325) 7.687 15.059 ( -7.669 0.000 -8.951) 11.786 ======================= Grid point 101 (24/50) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 23.108 0.000 10.714) 25.471 2.531 ( 27.472 0.000 17.820) 32.745 2.895 ( -22.101 0.000 3.769) 22.420 3.045 ( -24.715 0.000 11.934) 27.445 3.497 ( 4.512 0.000 3.487) 5.702 3.680 ( -13.115 0.000 4.844) 13.981 4.097 ( 21.994 0.000 15.414) 26.857 4.147 ( 6.902 0.000 6.290) 9.338 4.305 ( -8.981 0.000 7.460) 11.676 4.329 ( -4.963 0.000 6.518) 8.193 4.489 ( 8.858 0.000 4.866) 10.107 4.593 ( -0.174 0.000 -4.053) 4.057 4.814 ( 4.539 0.000 22.183) 22.642 4.894 ( -1.948 0.000 9.302) 9.504 4.900 ( 7.927 0.000 -3.708) 8.751 5.059 ( -7.639 0.000 -2.930) 8.181 5.399 ( 7.771 0.000 -0.487) 7.786 5.614 ( -5.288 0.000 -2.219) 5.735 5.634 ( 15.629 0.000 1.305) 15.683 5.802 ( -5.458 0.000 2.351) 5.942 5.869 ( -7.880 0.000 2.901) 8.397 5.877 ( -12.774 0.000 7.864) 15.001 6.451 ( 5.580 0.000 -3.829) 6.768 6.516 ( -0.199 0.000 -4.287) 4.292 6.541 ( 8.526 0.000 -3.492) 9.213 6.732 ( -8.036 0.000 -4.855) 9.389 6.940 ( 10.626 0.000 2.945) 11.027 7.102 ( 8.363 0.000 3.963) 9.255 7.205 ( -14.860 0.000 2.541) 15.075 7.286 ( -9.204 0.000 3.383) 9.806 7.488 ( 5.599 0.000 0.351) 5.610 7.639 ( -7.778 0.000 -6.391) 10.067 7.676 ( 7.307 0.000 -9.850) 12.264 7.825 ( -7.668 0.000 -7.335) 10.612 7.883 ( 1.934 0.000 -18.844) 18.943 7.986 ( -9.306 0.000 -9.397) 13.225 8.367 ( 2.753 0.000 -1.362) 3.072 8.417 ( -1.928 0.000 -1.175) 2.258 8.680 ( 3.176 0.000 -5.370) 6.239 8.701 ( 1.037 0.000 -7.029) 7.105 8.796 ( 7.342 0.000 -9.912) 12.335 8.912 ( -3.913 0.000 -12.024) 12.644 9.039 ( 2.184 0.000 -2.657) 3.439 9.071 ( -1.051 0.000 -2.142) 2.386 9.221 ( 10.954 0.000 -1.126) 11.012 9.244 ( 2.103 0.000 5.653) 6.031 9.297 ( -3.348 0.000 6.111) 6.968 9.409 ( -8.048 0.000 -2.858) 8.541 9.516 ( 11.916 0.000 -3.364) 12.382 9.741 ( -8.947 0.000 -2.500) 9.290 10.073 ( 7.512 0.000 8.460) 11.314 10.251 ( -11.061 0.000 4.424) 11.913 10.520 ( 9.058 0.000 11.067) 14.301 10.733 ( -11.437 0.000 12.562) 16.989 11.579 ( 6.169 0.000 -3.199) 6.950 11.729 ( -9.087 0.000 -2.792) 9.506 11.799 ( 9.352 0.000 -8.545) 12.668 11.960 ( -7.334 0.000 -6.758) 9.973 12.860 ( 0.939 0.000 8.629) 8.680 12.901 ( -2.976 0.000 12.647) 12.992 13.017 ( 2.296 0.000 -1.415) 2.697 13.067 ( -2.832 0.000 -1.903) 3.412 13.807 ( 8.323 0.000 -9.006) 12.263 13.928 ( -3.913 0.000 -6.893) 7.926 14.629 ( 12.908 0.000 -6.292) 14.360 14.872 ( -11.567 0.000 -8.293) 14.233 ======================= Grid point 106 (25/50) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 11.559 11.559 30.228) 34.365 1.826 ( 15.044 15.044 28.814) 35.818 3.063 ( 21.476 21.476 43.746) 53.256 3.519 ( -7.122 -7.122 -2.520) 10.383 3.554 ( -9.989 -9.989 -0.178) 14.127 3.791 ( 2.805 2.805 1.073) 4.110 3.918 ( -1.463 -1.463 -0.821) 2.226 4.194 ( -6.895 -6.895 1.785) 9.913 4.220 ( -5.324 -5.324 8.157) 11.100 4.351 ( 1.814 1.814 2.039) 3.277 4.480 ( 2.030 2.030 -2.245) 3.644 4.586 ( 0.849 0.849 4.406) 4.567 4.658 ( -0.534 -0.534 16.683) 16.700 4.836 ( 8.793 8.793 -12.796) 17.842 4.875 ( -4.172 -4.172 13.299) 14.549 4.942 ( 0.876 0.876 3.308) 3.532 5.163 ( 0.650 0.650 -2.517) 2.680 5.379 ( 6.442 6.442 10.248) 13.712 5.641 ( 4.295 4.295 -15.663) 16.799 5.872 ( -1.375 -1.375 3.339) 3.863 5.963 ( -6.626 -6.626 -6.102) 11.182 6.026 ( -1.333 -1.333 -3.783) 4.226 6.150 ( 16.260 16.260 4.772) 23.485 6.394 ( 0.384 0.384 -4.289) 4.324 6.545 ( 5.879 5.879 -2.601) 8.711 6.947 ( -8.976 -8.976 1.254) 12.756 7.066 ( -6.001 -6.001 -4.813) 9.757 7.171 ( -3.649 -3.649 3.181) 6.062 7.294 ( -5.879 -5.879 8.043) 11.568 7.492 ( -3.009 -3.009 -2.273) 4.824 7.497 ( 0.296 0.296 -8.546) 8.556 7.818 ( -7.717 -7.717 -15.777) 19.184 7.840 ( -0.016 -0.016 3.443) 3.444 7.864 ( -1.503 -1.503 -1.762) 2.760 8.176 ( 3.244 3.244 -5.057) 6.828 8.206 ( 0.389 0.389 -10.346) 10.361 8.267 ( -1.902 -1.902 -8.993) 9.387 8.287 ( -2.194 -2.194 1.354) 3.386 8.496 ( 4.217 4.217 -3.992) 7.177 8.587 ( 8.471 8.471 -3.988) 12.626 8.593 ( 5.664 5.664 -2.560) 8.409 8.834 ( 0.857 0.857 -11.221) 11.287 8.885 ( -5.934 -5.934 9.512) 12.685 8.969 ( 2.621 2.621 -7.417) 8.292 9.069 ( 1.123 1.123 -1.774) 2.381 9.202 ( 0.335 0.335 4.968) 4.990 9.375 ( -5.335 -5.335 -1.481) 7.689 9.398 ( 0.422 0.422 -1.824) 1.919 9.602 ( 3.873 3.873 5.401) 7.692 9.610 ( 8.222 8.222 8.183) 14.218 9.925 ( 3.762 3.762 10.355) 11.641 10.517 ( -3.603 -3.603 1.224) 5.241 10.626 ( -11.623 -11.623 -1.281) 16.487 11.114 ( 2.190 2.190 -1.384) 3.393 11.400 ( 5.112 5.112 -7.321) 10.288 11.548 ( -7.578 -7.578 -4.470) 11.612 12.073 ( -5.647 -5.647 -1.762) 8.178 12.092 ( -4.053 -4.053 -2.960) 6.451 12.907 ( -2.965 -2.965 0.113) 4.194 12.916 ( -0.599 -0.599 6.203) 6.260 12.996 ( 0.901 0.901 7.701) 7.806 13.136 ( -2.480 -2.480 -0.022) 3.508 13.485 ( 11.199 11.199 -10.542) 19.025 13.882 ( 7.966 7.966 -5.451) 12.515 14.353 ( 0.321 0.321 0.718) 0.849 15.133 ( -3.413 -3.413 -8.852) 10.082 ======================= Grid point 107 (26/50) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 19.629 8.470 23.898) 32.065 2.211 ( 23.747 14.863 21.552) 35.345 3.288 ( -16.036 -0.070 2.220) 16.189 3.381 ( -5.835 -5.465 2.191) 8.290 3.507 ( 8.722 8.196 17.173) 20.932 3.747 ( 4.582 9.646 13.282) 17.043 3.929 ( -12.105 0.461 2.473) 12.363 3.999 ( 5.080 -3.672 9.942) 11.753 4.228 ( 0.465 -14.095 4.393) 14.771 4.377 ( 2.954 2.120 3.036) 4.737 4.464 ( -4.799 0.740 5.033) 6.993 4.608 ( 2.414 4.072 -1.458) 4.953 4.688 ( 4.627 -2.498 16.595) 17.408 4.788 ( -0.560 -1.742 9.001) 9.186 4.942 ( 1.658 5.751 1.773) 6.242 5.100 ( 9.388 -1.972 -6.054) 11.344 5.237 ( 4.541 -2.130 -1.412) 5.211 5.466 ( 4.228 7.484 4.659) 9.777 5.656 ( -3.189 -5.414 -5.380) 8.272 5.736 ( -8.054 -2.454 -5.741) 10.191 5.977 ( 5.372 -5.272 -4.291) 8.664 6.096 ( 5.741 7.445 1.660) 9.547 6.382 ( 0.112 0.343 -6.589) 6.599 6.463 ( 10.471 11.349 4.353) 16.043 6.597 ( -5.881 1.040 3.236) 6.793 6.804 ( -4.019 2.401 0.374) 4.696 6.847 ( -6.356 -5.549 -1.774) 8.622 7.099 ( -0.929 2.072 3.921) 4.531 7.285 ( 1.450 -7.218 5.335) 9.092 7.402 ( -6.300 -4.718 0.223) 7.874 7.507 ( 0.578 -0.681 -10.434) 10.472 7.619 ( -10.837 2.824 -6.760) 13.081 7.755 ( -3.335 -5.216 -7.556) 9.768 7.897 ( 0.010 8.163 -7.590) 11.146 8.088 ( -7.677 7.156 -6.634) 12.416 8.186 ( -6.329 1.009 -6.063) 8.822 8.266 ( 3.697 -4.803 -1.524) 6.250 8.364 ( 4.179 -5.839 -4.599) 8.527 8.580 ( 4.449 0.527 -4.978) 6.697 8.665 ( 2.397 1.210 -4.603) 5.328 8.718 ( 2.582 4.076 -3.469) 5.942 8.847 ( 6.587 -6.480 0.707) 9.268 8.907 ( 3.219 -3.862 -8.047) 9.489 9.013 ( 1.693 0.902 -5.684) 5.999 9.089 ( 0.496 0.751 -2.480) 2.639 9.225 ( -7.754 -10.163 -1.613) 12.885 9.237 ( 2.919 1.171 2.673) 4.128 9.405 ( 0.578 -0.285 0.621) 0.895 9.623 ( 0.174 9.314 2.860) 9.745 9.807 ( 7.471 3.710 3.823) 9.176 10.013 ( 4.857 4.705 7.514) 10.109 10.400 ( -9.895 -7.097 1.317) 12.248 10.460 ( -1.695 -0.712 4.540) 4.898 11.031 ( -9.608 8.833 5.945) 14.341 11.467 ( 0.869 -4.580 -2.747) 5.411 11.564 ( 9.632 -3.149 -7.905) 12.853 11.897 ( -10.339 -2.615 -1.958) 10.843 12.021 ( -4.523 -5.677 -4.300) 8.437 12.849 ( -2.103 -2.517 3.505) 4.801 12.912 ( -0.645 -2.252 7.454) 7.814 13.004 ( -0.038 0.807 6.252) 6.304 13.079 ( -3.130 -3.371 0.429) 4.620 13.705 ( 10.823 8.381 -10.897) 17.496 14.025 ( 4.259 8.832 -7.250) 12.195 14.406 ( 6.723 -1.430 -2.708) 7.388 15.028 ( -7.506 -3.273 -9.736) 12.722 ======================= Grid point 108 (27/50) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 21.944 5.043 15.001) 27.056 2.686 ( 22.003 11.952 14.233) 28.802 2.936 ( -17.116 5.553 7.264) 19.405 3.176 ( -19.488 10.821 9.657) 24.292 3.450 ( 2.957 -3.021 6.225) 7.524 3.632 ( -14.100 -3.953 7.425) 16.419 4.027 ( 10.089 -5.941 4.912) 12.697 4.140 ( 0.837 -5.793 6.755) 8.939 4.241 ( 4.686 -1.694 3.978) 6.376 4.353 ( -5.442 0.578 5.392) 7.683 4.518 ( 9.969 3.193 11.504) 15.554 4.625 ( -1.050 1.768 2.624) 3.334 4.817 ( 6.457 0.615 21.252) 22.220 4.848 ( 4.826 -1.657 0.671) 5.146 4.963 ( 1.683 3.359 5.803) 6.913 5.099 ( -8.241 1.833 -3.844) 9.277 5.350 ( 9.067 -3.061 -0.781) 9.602 5.507 ( -2.883 -3.036 -2.380) 4.815 5.613 ( -0.349 -6.125 3.919) 7.280 5.678 ( -1.409 -0.992 1.051) 2.019 5.978 ( -3.076 6.661 3.156) 7.987 6.071 ( -7.484 7.608 -0.981) 10.717 6.402 ( 5.073 -7.662 -5.794) 10.863 6.485 ( 0.851 0.776 -2.846) 3.070 6.589 ( 0.568 2.437 -1.185) 2.769 6.681 ( -5.171 1.229 -1.192) 5.447 6.987 ( 10.773 5.218 1.670) 12.086 7.139 ( 0.888 2.845 7.257) 7.845 7.243 ( -2.517 1.416 -0.387) 2.914 7.339 ( -2.817 -0.955 2.642) 3.978 7.455 ( -1.691 3.322 -6.276) 7.299 7.508 ( -2.185 -4.061 -10.240) 11.230 7.735 ( 2.384 -3.096 -8.314) 9.186 7.857 ( -7.169 3.772 -3.150) 8.692 7.964 ( -0.853 5.561 -12.291) 13.517 8.037 ( -6.751 6.595 -11.042) 14.526 8.336 ( 3.497 -3.514 -1.174) 5.095 8.389 ( -1.385 -3.392 -1.960) 4.156 8.655 ( 3.159 -2.268 -6.112) 7.245 8.689 ( -0.181 -1.639 -6.829) 7.025 8.809 ( 5.996 0.532 -5.497) 8.152 8.901 ( -2.584 -0.863 -7.912) 8.368 8.972 ( 3.429 -12.497 0.752) 12.981 9.027 ( -2.126 -6.346 -0.547) 6.715 9.082 ( 1.673 -2.532 -2.674) 4.045 9.132 ( -2.395 -4.250 -3.252) 5.863 9.316 ( 5.182 0.374 1.848) 5.514 9.404 ( -2.490 -2.065 2.329) 3.986 9.660 ( 5.646 10.541 -1.948) 12.116 9.809 ( -6.793 6.248 -2.436) 9.545 10.111 ( 5.742 1.773 4.273) 7.374 10.235 ( -7.251 -2.961 1.987) 8.080 10.551 ( 10.732 4.411 12.490) 17.048 10.800 ( -13.479 7.229 11.828) 19.335 11.544 ( 6.460 -3.118 -2.747) 7.681 11.691 ( -6.666 -3.904 -3.100) 8.324 11.764 ( 6.524 -3.497 -6.584) 9.907 11.911 ( -6.848 -4.851 -6.033) 10.336 12.839 ( 1.047 -2.596 7.611) 8.109 12.879 ( -2.548 -2.469 10.213) 10.812 13.006 ( 0.600 -0.492 2.239) 2.369 13.030 ( -1.879 -2.708 -0.076) 3.296 13.890 ( 8.254 7.810 -9.491) 14.805 14.015 ( -4.284 8.232 -7.888) 12.179 14.609 ( 12.661 -2.136 -6.993) 14.621 14.846 ( -11.246 -2.736 -9.082) 14.712 ======================= Grid point 114 (28/50) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 15.618 15.618 21.110) 30.553 2.566 ( 21.044 21.044 19.420) 35.537 3.218 ( -7.341 -7.341 2.999) 10.807 3.325 ( -0.999 -0.999 4.630) 4.841 3.667 ( 4.323 4.323 6.718) 9.084 3.767 ( -6.604 -6.604 12.197) 15.362 3.902 ( -6.603 -6.603 12.952) 15.967 3.936 ( -3.244 -3.244 2.571) 5.259 4.106 ( 5.073 5.073 2.043) 7.459 4.433 ( 6.327 6.327 15.577) 17.964 4.496 ( -2.101 -2.101 -4.107) 5.069 4.628 ( 0.244 0.244 7.418) 7.426 4.648 ( -1.041 -1.041 13.209) 13.291 4.787 ( 4.684 4.684 22.414) 23.373 5.007 ( -2.236 -2.236 -9.042) 9.579 5.115 ( 5.342 5.342 3.930) 8.516 5.251 ( 3.161 3.161 -4.620) 6.428 5.556 ( 1.581 1.581 7.175) 7.515 5.576 ( -1.049 -1.049 -9.127) 9.246 5.773 ( -1.760 -1.760 -10.660) 10.947 5.823 ( -1.495 -1.495 -6.513) 6.847 6.239 ( 3.497 3.497 1.149) 5.078 6.341 ( -3.629 -3.629 -7.678) 9.236 6.560 ( -0.409 -0.409 3.239) 3.291 6.672 ( -4.648 -4.648 8.604) 10.828 6.795 ( 8.492 8.492 -0.622) 12.025 6.939 ( 9.541 9.541 -1.214) 13.547 7.055 ( -2.168 -2.168 3.555) 4.694 7.241 ( 2.138 2.138 10.959) 11.368 7.271 ( -7.494 -7.494 -9.275) 14.083 7.495 ( -0.674 -0.674 -12.857) 12.893 7.656 ( 0.156 0.156 -14.725) 14.727 7.682 ( -1.522 -1.522 1.260) 2.495 8.051 ( 5.068 5.068 -1.661) 7.358 8.126 ( -6.645 -6.645 -1.417) 9.503 8.138 ( -4.039 -4.039 -2.168) 6.109 8.240 ( -0.671 -0.671 -10.608) 10.651 8.271 ( 1.258 1.258 -3.806) 4.201 8.595 ( 0.996 0.996 -8.690) 8.804 8.660 ( -1.194 -1.194 -7.298) 7.490 8.676 ( -4.892 -4.892 10.113) 12.253 8.836 ( 2.625 2.625 -3.044) 4.801 8.913 ( 2.492 2.492 -10.744) 11.308 8.969 ( -10.327 -10.327 -3.557) 15.031 9.033 ( 1.473 1.473 -4.445) 4.909 9.134 ( 1.105 1.105 -2.289) 2.771 9.256 ( 0.758 0.758 0.897) 1.398 9.396 ( -0.773 -0.773 3.208) 3.389 9.773 ( 4.539 4.539 0.081) 6.419 9.908 ( 6.157 6.157 2.724) 9.123 10.084 ( 1.885 1.885 0.302) 2.683 10.231 ( -8.925 -8.925 0.618) 12.636 10.508 ( 6.556 6.556 10.396) 13.930 11.158 ( -0.314 -0.314 4.596) 4.617 11.390 ( -0.119 -0.119 0.164) 0.235 11.530 ( 0.995 0.995 -5.789) 5.957 11.802 ( -7.460 -7.460 -1.511) 10.657 11.900 ( -5.873 -5.873 -4.560) 9.475 12.792 ( -2.520 -2.520 3.601) 5.066 12.870 ( -2.710 -2.710 7.554) 8.471 13.005 ( -0.495 -0.495 3.780) 3.844 13.026 ( -1.844 -1.844 5.898) 6.449 13.890 ( 10.010 10.010 -10.719) 17.757 14.216 ( 8.042 8.042 -11.092) 15.887 14.384 ( 1.165 1.165 -3.203) 3.602 14.931 ( -6.853 -6.853 -10.731) 14.460 ======================= Grid point 115 (29/50) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 17.009 9.831 15.087) 24.770 2.894 ( -0.753 7.245 10.983) 13.179 3.110 ( 9.171 11.879 13.944) 20.486 3.344 ( 1.815 5.302 7.162) 9.094 3.484 ( -12.696 7.192 12.674) 19.327 3.576 ( -14.715 -1.033 11.256) 18.555 3.904 ( 5.902 -6.541 2.746) 9.228 3.957 ( 0.227 -9.471 4.059) 10.307 4.207 ( 5.888 -2.772 4.258) 7.777 4.352 ( -8.956 -1.119 4.123) 9.923 4.548 ( 3.976 -1.629 13.309) 13.986 4.606 ( -2.541 -3.762 11.274) 12.154 4.730 ( 7.344 -7.817 2.739) 11.070 4.878 ( -6.659 -4.408 1.803) 8.187 5.013 ( 11.957 8.701 15.943) 21.745 5.167 ( -2.207 7.011 5.555) 9.213 5.373 ( 9.300 5.668 -8.769) 13.983 5.565 ( -9.647 8.311 -7.433) 14.744 5.582 ( 3.711 1.325 4.552) 6.021 5.635 ( 1.147 -2.426 -4.477) 5.220 5.970 ( 6.881 -7.954 -6.693) 12.466 6.123 ( -11.035 -2.357 -1.608) 11.398 6.284 ( 0.916 -3.537 -4.252) 5.607 6.435 ( -12.860 -1.928 3.246) 13.403 6.698 ( 10.885 10.074 0.340) 14.835 6.875 ( -4.829 12.428 0.813) 13.358 7.082 ( 5.023 -0.285 1.000) 5.129 7.144 ( 0.695 -3.873 -0.589) 3.979 7.203 ( 8.040 -1.001 -3.888) 8.986 7.302 ( 1.906 1.978 6.585) 7.135 7.501 ( 1.748 0.711 -10.029) 10.205 7.591 ( -6.285 6.384 -6.526) 11.084 7.700 ( 3.731 1.697 -5.587) 6.929 7.870 ( -13.257 0.057 -1.118) 13.304 8.083 ( 1.376 2.584 -7.418) 7.975 8.144 ( -3.270 1.395 -10.030) 10.641 8.230 ( 3.514 -5.751 1.226) 6.850 8.293 ( -1.406 -4.633 -1.596) 5.098 8.613 ( 1.341 -1.938 -7.945) 8.288 8.639 ( -1.087 -2.753 -9.788) 10.226 8.664 ( 2.687 -10.010 5.766) 11.861 8.753 ( -6.509 -12.351 4.655) 14.717 8.923 ( 1.431 2.826 -8.618) 9.181 8.942 ( -0.179 1.956 -9.206) 9.413 9.086 ( 3.745 1.547 -3.046) 5.069 9.142 ( -1.251 1.888 -2.435) 3.325 9.294 ( 3.541 -1.904 1.509) 4.294 9.364 ( -2.834 -2.033 2.967) 4.579 9.827 ( 3.075 4.912 -2.063) 6.151 9.926 ( -5.666 3.549 -2.826) 7.259 10.105 ( 2.289 -0.606 0.774) 2.491 10.141 ( -1.209 -4.540 0.227) 4.703 10.710 ( 13.556 11.324 11.755) 21.218 10.986 ( -13.741 10.573 8.687) 19.393 11.480 ( 6.530 -3.131 -1.291) 7.356 11.591 ( -0.164 -5.739 -3.150) 6.548 11.670 ( -0.689 -5.848 -2.610) 6.441 11.783 ( -6.796 -8.165 -4.033) 11.363 12.771 ( 0.535 -3.486 5.456) 6.497 12.809 ( -3.060 -4.212 7.341) 9.000 12.997 ( -0.070 -0.556 3.660) 3.703 13.004 ( -0.686 -0.174 5.828) 5.871 14.072 ( 8.633 10.327 -9.976) 16.754 14.212 ( -5.461 11.441 -9.486) 15.834 14.545 ( 11.991 -4.570 -8.530) 15.409 14.765 ( -10.278 -5.700 -10.493) 15.755 ======================= Grid point 122 (30/50) ======================= q-point: ( 0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 7.806 7.806 11.625) 16.032 2.924 ( -3.018 -3.018 8.465) 9.480 3.372 ( 14.086 14.086 18.254) 27.019 3.453 ( 5.835 5.835 11.168) 13.885 3.545 ( -2.423 -2.423 12.698) 13.153 3.571 ( -3.805 -3.805 17.560) 18.366 3.820 ( -0.635 -0.635 0.919) 1.285 3.837 ( -2.757 -2.757 6.538) 7.612 4.183 ( 1.680 1.680 6.369) 6.798 4.276 ( -6.470 -6.470 6.169) 11.035 4.490 ( -2.167 -2.167 12.842) 13.203 4.514 ( -4.348 -4.348 11.758) 13.269 4.645 ( 0.449 0.449 3.957) 4.008 4.728 ( -7.378 -7.378 2.192) 10.662 5.218 ( 7.995 7.995 8.398) 14.084 5.277 ( 2.037 2.037 5.326) 6.055 5.544 ( 10.898 10.898 -11.626) 19.306 5.610 ( 1.048 1.048 -8.672) 8.798 5.619 ( 1.161 1.161 -0.705) 1.787 5.754 ( -0.032 -0.032 -13.027) 13.027 5.778 ( -0.674 -0.674 -6.611) 6.679 5.980 ( -10.636 -10.636 -6.535) 16.400 6.295 ( 5.696 5.696 5.025) 9.494 6.428 ( -3.543 -3.543 11.369) 12.424 6.873 ( 7.077 7.077 -2.615) 10.345 6.996 ( -0.817 -0.817 -3.132) 3.338 7.017 ( -3.057 -3.057 9.508) 10.445 7.022 ( -3.734 -3.734 -19.625) 20.323 7.298 ( 6.024 6.024 4.554) 9.660 7.352 ( 0.860 0.860 8.924) 9.007 7.542 ( 4.851 4.851 -4.180) 8.034 7.642 ( -1.937 -1.937 -2.384) 3.631 7.771 ( 5.057 5.057 -6.342) 9.559 7.917 ( 0.935 0.935 -2.587) 2.906 7.942 ( -5.878 -5.878 -3.313) 8.949 8.068 ( -8.156 -8.156 -4.198) 12.275 8.219 ( 2.803 2.803 -3.376) 5.206 8.266 ( -1.313 -1.313 -3.729) 4.165 8.542 ( -1.623 -1.623 9.103) 9.388 8.579 ( -5.307 -5.307 7.164) 10.375 8.604 ( -0.052 -0.052 -14.584) 14.584 8.608 ( -0.565 -0.565 -14.476) 14.498 8.964 ( 1.041 1.041 -8.543) 8.669 8.969 ( 0.496 0.496 -8.957) 8.984 9.140 ( 3.676 3.676 -1.073) 5.308 9.184 ( 0.850 0.850 -0.460) 1.288 9.266 ( 0.188 0.188 1.153) 1.183 9.315 ( -3.176 -3.176 2.114) 4.964 9.843 ( -0.498 -0.498 -0.963) 1.193 9.885 ( -4.718 -4.718 -1.162) 6.772 10.134 ( 2.177 2.177 -0.927) 3.216 10.138 ( 1.708 1.708 -2.207) 3.272 10.947 ( 12.272 12.272 8.678) 19.404 11.111 ( -1.316 -1.316 6.485) 6.747 11.451 ( 2.492 2.492 0.636) 3.582 11.519 ( -1.099 -1.099 -2.245) 2.731 11.566 ( -4.141 -4.141 -1.232) 5.985 11.612 ( -8.707 -8.707 -0.760) 12.337 12.727 ( -0.816 -0.816 5.078) 5.208 12.742 ( -2.318 -2.318 5.913) 6.761 12.994 ( 0.077 0.077 5.413) 5.414 12.998 ( -0.327 -0.327 6.155) 6.173 14.267 ( 9.549 9.549 -9.896) 16.742 14.424 ( 0.674 0.674 -5.460) 5.543 14.440 ( 3.119 3.119 -14.867) 15.508 14.626 ( -8.721 -8.721 -11.277) 16.711 ======================= Grid point 147 (31/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 0.000 31.748) 31.748 2.212 ( -0.000 0.000 31.748) 31.748 3.585 ( 0.000 -0.000 -5.948) 5.948 3.585 ( 0.000 0.000 -5.948) 5.948 3.777 ( 0.000 0.000 57.197) 57.197 3.864 ( -0.000 0.000 -5.977) 5.977 3.895 ( 0.000 0.000 -6.573) 6.573 4.140 ( 0.000 0.000 -0.864) 0.864 4.140 ( 0.000 -0.000 -0.864) 0.864 4.391 ( 0.000 -0.000 -12.676) 12.676 4.391 ( -0.000 0.000 -12.676) 12.676 4.652 ( 0.000 0.000 10.674) 10.674 4.652 ( 0.000 0.000 10.674) 10.674 4.840 ( 0.000 0.000 3.762) 3.762 5.053 ( -0.000 -0.000 -15.500) 15.500 5.188 ( 0.000 0.000 0.036) 0.036 5.188 ( -0.000 0.000 0.036) 0.036 5.188 ( 0.000 0.000 21.481) 21.481 5.562 ( 0.000 0.000 16.227) 16.227 5.921 ( 0.000 0.000 0.636) 0.636 5.982 ( 0.000 -0.000 -13.378) 13.378 6.005 ( -0.000 0.000 17.567) 17.567 6.213 ( -0.000 -0.000 13.629) 13.629 6.321 ( 0.000 0.000 -3.138) 3.138 6.321 ( 0.000 -0.000 -3.138) 3.138 6.930 ( 0.000 0.000 -10.238) 10.238 6.930 ( 0.000 0.000 -10.238) 10.238 7.115 ( 0.000 0.000 -23.308) 23.308 7.313 ( 0.000 0.000 -14.225) 14.225 7.434 ( 0.000 0.000 -4.954) 4.954 7.434 ( -0.000 -0.000 -4.954) 4.954 7.679 ( 0.000 0.000 -31.669) 31.669 7.821 ( -0.000 0.000 6.212) 6.212 8.075 ( -0.000 -0.000 2.202) 2.202 8.075 ( 0.000 0.000 2.202) 2.202 8.143 ( 0.000 0.000 -5.809) 5.809 8.152 ( 0.000 0.000 7.311) 7.311 8.267 ( 0.000 0.000 1.517) 1.517 8.267 ( 0.000 0.000 1.517) 1.517 8.399 ( 0.000 0.000 -0.184) 0.184 8.399 ( 0.000 0.000 -0.184) 0.184 8.771 ( 0.000 0.000 -2.459) 2.459 8.841 ( -0.000 -0.000 0.067) 0.067 9.012 ( 0.000 0.000 -2.065) 2.065 9.304 ( 0.000 0.000 -0.635) 0.635 9.325 ( 0.000 0.000 5.701) 5.701 9.376 ( -0.000 0.000 6.670) 6.670 9.376 ( 0.000 0.000 6.670) 6.670 9.658 ( 0.000 0.000 6.945) 6.945 9.658 ( 0.000 -0.000 6.945) 6.945 10.092 ( 0.000 0.000 11.951) 11.951 10.668 ( 0.000 0.000 5.311) 5.311 10.893 ( 0.000 -0.000 -12.194) 12.194 10.914 ( 0.000 -0.000 -7.563) 7.563 10.914 ( 0.000 0.000 -7.563) 7.563 11.515 ( 0.000 0.000 -17.017) 17.017 12.134 ( 0.000 0.000 -1.827) 1.827 12.134 ( 0.000 0.000 -1.827) 1.827 12.944 ( 0.000 -0.000 -0.012) 0.012 12.944 ( 0.000 0.000 -0.012) 0.012 13.119 ( -0.000 -0.000 -3.120) 3.120 13.119 ( 0.000 0.000 -3.120) 3.120 13.243 ( 0.000 0.000 12.369) 12.369 13.641 ( 0.000 -0.000 -3.783) 3.783 14.444 ( -0.000 0.000 6.496) 6.496 15.033 ( 0.000 0.000 -9.191) 9.191 ======================= Grid point 148 (32/50) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 6.466 0.000 28.445) 29.170 2.324 ( 10.939 0.000 31.038) 32.909 3.574 ( -3.040 0.000 -6.078) 6.795 3.608 ( 2.625 0.000 0.387) 2.653 3.623 ( -14.839 0.000 -1.203) 14.887 3.841 ( -3.178 0.000 -5.896) 6.698 3.923 ( 12.892 0.000 45.765) 47.546 4.213 ( 5.518 0.000 -0.467) 5.537 4.298 ( 3.921 0.000 -3.369) 5.170 4.338 ( -3.722 0.000 -10.085) 10.750 4.525 ( 8.112 0.000 1.010) 8.175 4.619 ( -1.041 0.000 11.749) 11.795 4.621 ( 5.716 0.000 -1.556) 5.924 4.892 ( 4.270 0.000 2.134) 4.774 5.031 ( -13.074 0.000 1.839) 13.202 5.102 ( 4.974 0.000 -9.225) 10.481 5.166 ( -0.762 0.000 20.149) 20.163 5.360 ( 14.887 0.000 -4.289) 15.493 5.603 ( 1.063 0.000 16.935) 16.968 5.882 ( -9.213 0.000 -8.912) 12.818 5.949 ( 3.396 0.000 2.442) 4.183 6.122 ( -6.724 0.000 10.756) 12.685 6.129 ( 10.322 0.000 9.348) 13.925 6.327 ( 0.896 0.000 -3.590) 3.700 6.384 ( 5.232 0.000 -5.459) 7.561 6.871 ( -4.882 0.000 -12.427) 13.351 6.935 ( 0.793 0.000 -8.332) 8.370 7.143 ( -0.653 0.000 -13.769) 13.784 7.303 ( 0.081 0.000 -11.865) 11.865 7.365 ( -4.063 0.000 -14.480) 15.039 7.444 ( 0.331 0.000 -4.583) 4.595 7.644 ( -8.501 0.000 -7.118) 11.088 7.807 ( -6.132 0.000 1.682) 6.358 7.899 ( -8.309 0.000 -5.049) 9.723 8.009 ( -2.060 0.000 0.337) 2.088 8.044 ( -3.396 0.000 2.567) 4.257 8.283 ( 1.474 0.000 0.226) 1.491 8.293 ( 8.872 0.000 -1.526) 9.002 8.393 ( -0.485 0.000 -1.201) 1.295 8.423 ( 2.825 0.000 -1.942) 3.428 8.480 ( 11.398 0.000 -2.397) 11.648 8.740 ( -2.243 0.000 -2.548) 3.395 8.856 ( 1.473 0.000 -0.538) 1.568 9.018 ( 0.476 0.000 -2.304) 2.352 9.148 ( -7.648 0.000 6.991) 10.362 9.293 ( -0.847 0.000 -0.493) 0.981 9.367 ( -0.765 0.000 6.318) 6.364 9.547 ( 4.089 0.000 4.684) 6.218 9.615 ( -4.192 0.000 6.310) 7.576 9.681 ( 4.574 0.000 2.313) 5.126 10.123 ( 2.957 0.000 12.391) 12.739 10.577 ( -5.959 0.000 1.866) 6.244 10.679 ( -10.798 0.000 -5.610) 12.169 10.994 ( 5.209 0.000 -2.039) 5.594 11.141 ( 12.267 0.000 -12.019) 17.174 11.453 ( -4.463 0.000 -11.999) 12.802 12.080 ( -6.107 0.000 -0.811) 6.160 12.095 ( -4.039 0.000 -2.548) 4.776 12.941 ( 0.124 0.000 1.394) 1.400 12.949 ( 0.489 0.000 -0.152) 0.512 13.106 ( -1.329 0.000 -2.900) 3.190 13.169 ( 3.908 0.000 -1.241) 4.101 13.294 ( 5.127 0.000 7.540) 9.118 13.704 ( 5.972 0.000 -4.730) 7.619 14.420 ( -2.175 0.000 5.195) 5.631 14.987 ( -4.513 0.000 -9.539) 10.553 ======================= Grid point 149 (33/50) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 10.606 0.000 19.886) 22.538 2.604 ( 17.562 0.000 28.792) 33.725 3.300 ( -17.123 0.000 -1.580) 17.196 3.531 ( -1.208 0.000 2.304) 2.601 3.618 ( -5.320 0.000 9.876) 11.218 3.823 ( -0.022 0.000 -4.439) 4.439 4.104 ( 4.196 0.000 6.774) 7.968 4.265 ( -4.294 0.000 3.742) 5.696 4.325 ( 11.049 0.000 10.033) 14.925 4.387 ( 5.062 0.000 -0.148) 5.064 4.560 ( -0.043 0.000 5.865) 5.865 4.627 ( 0.087 0.000 11.960) 11.960 4.788 ( -6.358 0.000 -0.476) 6.376 4.934 ( 13.160 0.000 -7.587) 15.190 4.977 ( 5.346 0.000 2.258) 5.803 5.198 ( 7.826 0.000 15.079) 16.988 5.237 ( 5.900 0.000 2.296) 6.331 5.580 ( -0.547 0.000 13.156) 13.168 5.668 ( 10.295 0.000 -0.576) 10.311 5.695 ( -5.461 0.000 -5.402) 7.682 6.017 ( 0.588 0.000 3.420) 3.470 6.037 ( 0.661 0.000 4.292) 4.343 6.277 ( 4.534 0.000 -2.500) 5.178 6.384 ( 4.318 0.000 -2.519) 4.999 6.502 ( 6.230 0.000 -9.231) 11.136 6.767 ( -7.280 0.000 -4.608) 8.616 6.972 ( -13.261 0.000 1.576) 13.355 6.986 ( 5.417 0.000 -2.965) 6.176 7.328 ( -3.778 0.000 -27.976) 28.230 7.352 ( 4.726 0.000 -7.647) 8.990 7.429 ( -1.542 0.000 -2.378) 2.834 7.445 ( -12.287 0.000 -3.427) 12.756 7.593 ( -3.941 0.000 9.623) 10.399 7.730 ( -11.463 0.000 -3.874) 12.100 7.940 ( -7.405 0.000 2.165) 7.715 8.067 ( 0.212 0.000 -3.780) 3.786 8.310 ( 1.124 0.000 -0.793) 1.376 8.385 ( -0.519 0.000 -3.584) 3.622 8.429 ( 0.841 0.000 -7.347) 7.395 8.449 ( 4.315 0.000 -8.898) 9.889 8.617 ( 3.571 0.000 -1.004) 3.710 8.799 ( 7.560 0.000 -1.264) 7.665 8.896 ( 2.612 0.000 -2.187) 3.407 9.023 ( -0.143 0.000 -2.913) 2.917 9.073 ( 0.461 0.000 4.111) 4.137 9.305 ( 3.011 0.000 -2.095) 3.668 9.354 ( -0.411 0.000 5.527) 5.542 9.495 ( -6.461 0.000 -0.989) 6.536 9.514 ( -5.753 0.000 5.014) 7.632 9.769 ( -0.209 0.000 -2.921) 2.928 10.194 ( 4.126 0.000 12.571) 13.231 10.496 ( -8.045 0.000 0.501) 8.060 10.541 ( 4.026 0.000 4.458) 6.007 11.040 ( -1.360 0.000 3.135) 3.418 11.374 ( 11.919 0.000 -12.207) 17.061 11.421 ( 2.059 0.000 -5.259) 5.648 11.904 ( -11.219 0.000 0.191) 11.221 11.981 ( -7.609 0.000 -4.600) 8.891 12.964 ( 1.106 0.000 -0.514) 1.220 12.966 ( 2.684 0.000 5.212) 5.862 13.072 ( -2.100 0.000 -2.335) 3.140 13.204 ( -0.909 0.000 7.572) 7.627 13.440 ( 9.490 0.000 -4.969) 10.712 13.819 ( 3.820 0.000 -5.156) 6.416 14.395 ( 1.181 0.000 0.363) 1.235 14.869 ( -7.648 0.000 -9.616) 12.287 ======================= Grid point 150 (34/50) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 13.492 0.000 10.109) 16.859 2.968 ( -16.589 0.000 3.089) 16.874 2.978 ( 20.605 0.000 24.526) 32.033 3.366 ( -18.492 0.000 18.874) 26.423 3.588 ( 6.919 0.000 4.884) 8.469 3.750 ( -7.927 0.000 1.794) 8.127 4.255 ( 10.687 0.000 -4.322) 11.528 4.264 ( 5.238 0.000 4.064) 6.630 4.420 ( -3.335 0.000 -0.380) 3.356 4.426 ( -10.152 0.000 4.285) 11.019 4.492 ( 4.777 0.000 3.155) 5.725 4.563 ( -4.732 0.000 4.646) 6.631 4.851 ( 8.902 0.000 -0.441) 8.913 5.009 ( -5.101 0.000 -1.481) 5.312 5.138 ( 9.421 0.000 10.508) 14.112 5.275 ( -3.264 0.000 4.719) 5.738 5.443 ( 13.264 0.000 15.002) 20.025 5.569 ( -3.257 0.000 0.317) 3.272 5.696 ( 11.810 0.000 4.312) 12.572 5.839 ( 9.609 0.000 5.618) 11.130 5.922 ( -9.611 0.000 1.577) 9.740 6.106 ( -5.825 0.000 8.985) 10.708 6.360 ( 3.969 0.000 -4.972) 6.361 6.415 ( -1.251 0.000 -5.237) 5.385 6.524 ( -5.965 0.000 1.922) 6.267 6.562 ( -1.824 0.000 -8.756) 8.944 6.937 ( 8.111 0.000 -4.559) 9.305 7.142 ( 9.661 0.000 0.534) 9.675 7.162 ( -14.281 0.000 -4.937) 15.110 7.279 ( 2.408 0.000 -19.460) 19.608 7.313 ( -7.171 0.000 0.024) 7.171 7.459 ( -13.819 0.000 -8.181) 16.059 7.543 ( 11.042 0.000 -3.222) 11.502 7.709 ( 9.936 0.000 1.934) 10.123 7.762 ( -10.811 0.000 0.131) 10.812 7.930 ( -11.700 0.000 1.302) 11.772 8.332 ( 1.366 0.000 -1.931) 2.365 8.364 ( -1.665 0.000 -3.729) 4.083 8.460 ( 2.509 0.000 -13.180) 13.417 8.490 ( -0.212 0.000 -12.458) 12.460 8.732 ( 7.050 0.000 2.333) 7.426 8.840 ( -3.208 0.000 2.193) 3.885 8.954 ( 3.171 0.000 -3.744) 4.906 9.005 ( -1.859 0.000 -3.693) 4.135 9.179 ( 8.569 0.000 -2.414) 8.903 9.345 ( -8.260 0.000 -3.547) 8.990 9.361 ( 1.401 0.000 4.700) 4.904 9.415 ( -4.167 0.000 4.296) 5.985 9.434 ( 9.882 0.000 -4.760) 10.969 9.648 ( -10.550 0.000 -5.922) 12.098 10.276 ( 4.366 0.000 10.844) 11.689 10.368 ( -5.459 0.000 6.598) 8.564 10.718 ( 12.213 0.000 8.102) 14.656 10.936 ( -9.125 0.000 7.266) 11.664 11.518 ( 7.265 0.000 -2.609) 7.719 11.599 ( 11.391 0.000 -10.444) 15.454 11.688 ( -10.394 0.000 -1.110) 10.453 11.808 ( -10.121 0.000 -7.532) 12.616 12.991 ( 1.752 0.000 -1.022) 2.028 13.030 ( -2.176 0.000 -1.649) 2.730 13.043 ( 5.042 0.000 8.857) 10.192 13.144 ( -4.795 0.000 10.105) 11.185 13.631 ( 9.791 0.000 -7.624) 12.409 13.793 ( -6.083 0.000 -5.779) 8.391 14.503 ( 9.234 0.000 -5.534) 10.765 14.697 ( -9.957 0.000 -8.400) 13.027 ======================= Grid point 155 (35/50) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 7.818 7.818 28.443) 30.516 2.411 ( 10.060 10.060 27.313) 30.796 3.485 ( -4.213 -4.213 -0.772) 6.008 3.535 ( -8.043 -8.043 -2.584) 11.664 3.752 ( -1.490 -1.490 5.069) 5.489 3.769 ( 8.312 8.312 -2.345) 11.987 4.055 ( 7.764 7.764 27.987) 30.064 4.220 ( -3.083 -3.083 -1.125) 4.503 4.318 ( 3.417 3.417 -0.256) 4.840 4.430 ( 2.973 2.973 5.926) 7.265 4.444 ( -4.222 -4.222 -2.353) 6.418 4.595 ( 0.224 0.224 5.169) 5.179 4.661 ( 8.187 8.187 -1.108) 11.631 4.955 ( 4.582 4.582 2.337) 6.889 5.045 ( -3.270 -3.270 6.974) 8.368 5.080 ( 0.712 0.712 -6.382) 6.461 5.179 ( -0.453 -0.453 20.799) 20.809 5.349 ( 4.924 4.924 -11.713) 13.627 5.666 ( 3.477 3.477 16.691) 17.400 5.825 ( -5.593 -5.593 -8.538) 11.639 6.000 ( -8.395 -8.395 10.452) 15.817 6.007 ( 4.967 4.967 1.703) 7.227 6.226 ( 6.334 6.334 1.634) 9.106 6.341 ( 3.675 3.675 0.285) 5.205 6.456 ( 5.710 5.710 -6.721) 10.506 6.795 ( -5.443 -5.443 -13.139) 15.228 6.958 ( 0.369 0.369 -3.245) 3.286 7.158 ( -4.335 -4.335 -23.046) 23.848 7.188 ( -0.707 -0.707 -4.920) 5.021 7.392 ( -0.272 -0.272 -14.485) 14.491 7.456 ( -0.728 -0.728 6.826) 6.903 7.621 ( -9.738 -9.738 -1.651) 13.870 7.810 ( 1.167 1.167 -1.421) 2.177 7.840 ( 0.419 0.419 -13.464) 13.477 7.899 ( -5.463 -5.463 2.685) 8.180 8.173 ( 1.058 1.058 3.029) 3.378 8.177 ( 0.185 0.185 -3.831) 3.840 8.329 ( -1.787 -1.787 2.838) 3.799 8.431 ( 3.129 3.129 -2.541) 5.103 8.511 ( 4.775 4.775 -5.492) 8.704 8.514 ( 6.679 6.679 -3.284) 10.000 8.698 ( -3.403 -3.403 -3.649) 6.040 8.877 ( 1.810 1.810 -1.089) 2.782 9.022 ( -0.068 -0.068 -1.765) 1.768 9.074 ( -5.098 -5.098 7.359) 10.302 9.251 ( -0.498 -0.498 0.430) 0.825 9.433 ( -8.281 -8.281 6.010) 13.163 9.436 ( 1.001 1.001 3.746) 4.004 9.701 ( 1.501 1.501 3.310) 3.932 9.702 ( 6.389 6.389 0.868) 9.077 10.136 ( 0.769 0.769 9.807) 9.867 10.554 ( -0.999 -0.999 3.994) 4.237 10.563 ( -9.017 -9.017 -4.557) 13.542 11.087 ( 5.686 5.686 -0.776) 8.078 11.201 ( 6.492 6.492 -11.438) 14.667 11.412 ( -2.906 -2.906 -8.356) 9.312 12.038 ( -5.276 -5.276 -1.491) 7.609 12.045 ( -4.519 -4.519 -1.709) 6.615 12.922 ( -1.258 -1.258 1.167) 2.127 12.954 ( 0.561 0.561 1.161) 1.406 13.069 ( -1.440 -1.440 -0.851) 2.207 13.294 ( 1.053 1.053 11.671) 11.766 13.294 ( 8.174 8.174 -8.126) 14.130 13.759 ( 5.298 5.298 -6.368) 9.834 14.399 ( -1.958 -1.958 4.191) 5.023 14.942 ( -4.541 -4.541 -9.975) 11.864 ======================= Grid point 156 (36/50) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 10.898 9.580 21.249) 25.731 2.690 ( 17.585 9.224 24.440) 31.490 3.320 ( -12.365 1.853 0.616) 12.518 3.447 ( -0.806 -4.779 3.801) 6.159 3.716 ( -4.096 4.816 5.336) 8.273 3.890 ( -0.422 7.670 0.694) 7.713 4.080 ( -2.566 -3.776 7.987) 9.200 4.191 ( 3.426 -0.601 1.028) 3.627 4.358 ( 0.162 -6.651 6.785) 9.503 4.399 ( 0.673 -5.269 4.801) 7.160 4.501 ( 2.927 7.326 5.039) 9.361 4.671 ( 6.619 3.432 7.411) 10.512 4.881 ( -7.503 6.446 5.987) 11.563 4.897 ( 11.748 -0.980 -5.958) 13.209 5.059 ( 4.959 6.463 0.014) 8.146 5.185 ( 5.680 -4.053 -3.093) 7.632 5.209 ( 7.152 1.588 23.571) 24.683 5.484 ( 5.903 -9.003 -4.930) 11.841 5.653 ( -8.230 0.034 2.012) 8.472 5.706 ( -1.139 1.504 7.872) 8.095 5.934 ( 3.811 -8.960 3.280) 10.274 6.134 ( 4.857 6.588 1.318) 8.291 6.253 ( 0.709 -2.238 -5.539) 6.016 6.484 ( 5.439 11.338 -2.422) 12.806 6.560 ( 2.997 3.127 -9.663) 10.589 6.739 ( 2.144 -3.458 -8.077) 9.044 6.865 ( -11.580 0.102 7.444) 13.767 7.129 ( 0.912 -7.094 -17.672) 19.065 7.156 ( 0.229 6.348 -2.461) 6.812 7.273 ( -11.220 -10.329 -10.527) 18.531 7.477 ( -1.147 3.399 0.841) 3.684 7.514 ( 5.012 -2.900 6.175) 8.466 7.655 ( -11.855 6.568 -5.297) 14.551 7.738 ( -4.737 5.242 -5.735) 9.100 8.029 ( -2.718 1.734 -1.622) 3.609 8.049 ( -1.143 2.484 -5.618) 6.249 8.229 ( -0.376 -6.921 -0.590) 6.957 8.308 ( -0.226 -1.873 -1.098) 2.183 8.483 ( 3.113 1.454 -4.697) 5.820 8.564 ( -2.962 3.426 -8.598) 9.718 8.593 ( 4.286 1.947 -3.749) 6.018 8.747 ( 7.767 -4.239 -3.006) 9.345 8.920 ( 2.703 2.074 -1.676) 3.797 8.991 ( -0.546 -6.736 5.694) 8.837 9.047 ( 0.380 1.812 -1.510) 2.389 9.232 ( -4.878 -6.683 0.956) 8.329 9.297 ( -1.334 -7.103 3.361) 7.970 9.428 ( -1.172 1.253 0.930) 1.952 9.662 ( -3.697 7.784 -0.019) 8.618 9.817 ( 1.279 4.299 -2.123) 4.962 10.149 ( 1.539 -4.293 5.746) 7.336 10.394 ( -7.493 -8.750 -1.375) 11.601 10.603 ( 6.727 5.701 9.592) 13.030 11.127 ( -1.941 7.545 3.520) 8.549 11.363 ( 7.650 -0.551 -9.503) 12.212 11.412 ( 5.347 -0.847 -4.376) 6.961 11.872 ( -10.747 -3.385 -0.525) 11.280 11.935 ( -7.110 -4.727 -3.889) 9.382 12.915 ( 0.721 -3.255 2.320) 4.062 12.970 ( 0.819 -0.919 1.760) 2.148 13.054 ( -0.020 -0.163 1.152) 1.164 13.262 ( -3.217 3.019 10.724) 11.596 13.494 ( 10.669 5.982 -8.791) 15.063 13.866 ( 3.868 4.615 -7.848) 9.892 14.374 ( 0.825 -2.067 0.105) 2.228 14.823 ( -7.546 -4.506 -10.234) 13.490 ======================= Grid point 157 (37/50) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 12.630 9.238 12.371) 19.947 2.997 ( 0.072 5.494 12.270) 13.444 3.119 ( 5.534 11.054 13.179) 18.069 3.404 ( -10.290 2.568 11.590) 15.711 3.610 ( 0.971 3.639 9.302) 10.035 3.756 ( -10.117 1.319 4.843) 11.293 4.122 ( 6.146 -7.330 3.601) 10.221 4.264 ( -7.114 -9.546 4.453) 12.711 4.332 ( 7.083 1.187 3.510) 7.994 4.410 ( -0.489 -2.216 3.190) 3.915 4.584 ( 5.044 7.944 -2.673) 9.783 4.710 ( -6.638 9.768 2.960) 12.175 4.834 ( 6.906 -2.224 1.430) 7.395 4.973 ( -4.349 -4.123 -2.285) 6.413 5.172 ( 5.911 3.570 6.522) 9.499 5.240 ( -0.370 -2.564 1.328) 2.911 5.417 ( 8.375 -2.117 14.926) 17.246 5.510 ( -5.005 -3.236 6.363) 8.718 5.640 ( 11.359 -7.685 -0.070) 13.715 5.728 ( 3.256 -3.410 4.368) 6.427 6.018 ( 1.712 -0.875 2.065) 2.822 6.154 ( -3.415 3.141 5.596) 7.269 6.308 ( 3.751 -4.361 -3.188) 6.577 6.465 ( -8.620 3.659 -3.690) 10.065 6.551 ( -4.945 2.404 4.278) 6.967 6.591 ( -1.142 6.094 -9.479) 11.327 6.914 ( 8.795 0.482 -6.647) 11.035 7.057 ( -7.656 -6.859 -10.293) 14.547 7.190 ( 6.803 -2.184 -14.136) 15.839 7.277 ( 7.203 6.298 3.944) 10.349 7.401 ( -12.628 0.764 -4.525) 13.436 7.411 ( -6.398 7.068 1.224) 9.612 7.681 ( 9.464 -2.249 2.945) 10.164 7.719 ( 4.556 10.750 -7.863) 14.076 7.862 ( -9.220 7.144 -1.560) 11.768 7.922 ( -11.817 -0.503 0.567) 11.841 8.279 ( 3.004 -5.407 -6.010) 8.624 8.306 ( -0.311 -2.646 -4.890) 5.569 8.514 ( 0.307 1.494 -7.375) 7.531 8.521 ( -0.853 1.202 -9.350) 9.466 8.706 ( 6.336 -0.954 -1.637) 6.614 8.799 ( -2.390 -3.149 -0.902) 4.055 8.978 ( 2.910 1.540 -1.888) 3.796 9.012 ( -0.035 -4.504 0.852) 4.584 9.075 ( 3.196 -3.896 0.193) 5.043 9.135 ( -3.507 -12.925 2.620) 13.647 9.329 ( 3.109 -2.031 -0.940) 3.831 9.397 ( -2.842 -0.844 -3.158) 4.331 9.622 ( 1.817 10.200 -1.750) 10.507 9.734 ( -7.629 6.951 -4.117) 11.111 10.208 ( 3.823 -6.096 5.019) 8.773 10.284 ( -4.351 -7.632 2.655) 9.177 10.797 ( 12.128 7.179 11.404) 18.130 11.015 ( -9.301 7.215 8.991) 14.812 11.489 ( 7.468 -2.356 -2.776) 8.309 11.586 ( 9.254 -1.663 -7.650) 12.121 11.665 ( -9.417 -2.268 -1.896) 9.870 11.777 ( -9.099 -3.183 -6.782) 11.787 12.943 ( 1.823 -4.144 1.541) 4.783 12.971 ( -0.837 -3.585 0.844) 3.776 13.084 ( 3.451 2.205 6.957) 8.073 13.175 ( -5.287 2.132 10.721) 12.142 13.693 ( 9.641 6.047 -9.275) 14.681 13.847 ( -5.564 5.363 -7.963) 11.097 14.471 ( 8.654 -3.191 -5.903) 10.951 14.656 ( -9.590 -4.086 -9.047) 13.803 ======================= Grid point 163 (38/50) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.754 ( 10.814 10.814 20.830) 25.842 2.953 ( 16.273 16.273 16.985) 28.603 3.322 ( -2.746 -2.746 5.967) 7.119 3.407 ( 1.767 1.767 2.625) 3.625 3.786 ( 2.618 2.618 5.402) 6.550 3.939 ( -6.463 -6.463 3.459) 9.772 4.098 ( 2.424 2.424 13.719) 14.141 4.135 ( -2.336 -2.336 5.113) 6.087 4.202 ( -4.346 -4.346 11.813) 13.316 4.381 ( 2.510 2.510 -6.404) 7.322 4.617 ( 4.242 4.242 4.966) 7.788 4.761 ( 1.425 1.425 2.562) 3.260 4.850 ( 0.210 0.210 -6.036) 6.043 4.968 ( -1.528 -1.528 16.090) 16.234 5.142 ( 1.387 1.387 -6.443) 6.735 5.200 ( 6.409 6.409 2.224) 9.332 5.300 ( 8.461 8.461 25.736) 28.381 5.374 ( -0.700 -0.700 -10.783) 10.828 5.660 ( -5.056 -5.056 5.456) 8.994 5.671 ( -2.485 -2.485 -8.167) 8.891 5.774 ( -2.080 -2.080 11.083) 11.467 6.204 ( -0.743 -0.743 -2.854) 3.041 6.225 ( -0.406 -0.406 -3.726) 3.770 6.508 ( -3.488 -3.488 -10.000) 11.151 6.757 ( 9.222 9.222 -1.993) 13.194 6.762 ( 5.679 5.679 -16.112) 18.003 6.914 ( 0.623 0.623 13.888) 13.916 7.027 ( -8.698 -8.698 -5.577) 13.507 7.047 ( 0.114 0.114 -10.112) 10.113 7.279 ( 4.039 4.039 -6.128) 8.378 7.487 ( 3.145 3.145 12.985) 13.726 7.555 ( 3.409 3.409 0.941) 4.912 7.621 ( -5.250 -5.250 -5.786) 9.413 7.930 ( 2.259 2.259 -15.832) 16.151 7.991 ( 3.991 3.991 -5.140) 7.634 8.087 ( -5.737 -5.737 -0.090) 8.114 8.113 ( -3.263 -3.263 -1.727) 4.927 8.300 ( -0.120 -0.120 4.296) 4.299 8.426 ( -3.544 -3.544 -8.330) 9.721 8.531 ( -4.330 -4.330 -4.600) 7.659 8.704 ( 3.440 3.440 -9.581) 10.745 8.723 ( 3.438 3.438 -6.348) 7.995 8.877 ( -4.008 -4.008 8.642) 10.335 8.971 ( 3.286 3.286 -0.937) 4.741 9.007 ( -9.498 -9.498 5.058) 14.353 9.107 ( 1.493 1.493 0.360) 2.142 9.258 ( -0.217 -0.217 -1.407) 1.440 9.424 ( -1.394 -1.394 -0.853) 2.148 9.768 ( 2.093 2.093 -0.870) 3.085 9.903 ( 2.957 2.957 -2.987) 5.139 10.070 ( -2.250 -2.250 -0.535) 3.226 10.214 ( -8.210 -8.210 -2.110) 11.801 10.750 ( 9.431 9.431 12.933) 18.578 11.252 ( 2.199 2.199 4.325) 5.327 11.375 ( 1.959 1.959 -4.674) 5.434 11.414 ( 3.313 3.313 -2.541) 5.330 11.766 ( -7.841 -7.841 -1.835) 11.239 11.818 ( -6.504 -6.504 -3.486) 9.836 12.866 ( -1.343 -1.343 3.422) 3.914 12.939 ( -1.884 -1.884 1.106) 2.884 13.074 ( 1.870 1.870 5.277) 5.903 13.267 ( -2.319 -2.319 13.218) 13.618 13.657 ( 9.847 9.847 -11.670) 18.169 13.972 ( 4.964 4.964 -12.316) 14.177 14.332 ( -1.137 -1.137 -1.214) 2.014 14.707 ( -7.296 -7.296 -10.982) 15.069 ======================= Grid point 164 (39/50) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 9.966 7.615 15.026) 19.573 3.114 ( -4.316 3.506 10.437) 11.826 3.379 ( 11.201 15.776 8.849) 21.275 3.470 ( 3.248 6.442 4.089) 8.292 3.720 ( -3.998 6.369 11.955) 14.123 3.854 ( -10.541 8.176 14.204) 19.486 4.001 ( 2.021 -4.801 7.894) 9.458 4.085 ( -3.319 -7.380 9.351) 12.366 4.297 ( 6.207 -5.085 5.355) 9.646 4.397 ( -2.991 0.872 0.547) 3.164 4.723 ( 7.339 0.616 -0.532) 7.384 4.748 ( 2.139 -0.964 3.672) 4.358 4.848 ( -3.839 -1.892 3.830) 5.743 4.881 ( -6.194 -1.081 2.556) 6.787 5.198 ( 5.024 -0.905 -5.371) 7.410 5.278 ( 0.001 7.105 1.002) 7.175 5.401 ( 2.214 1.424 7.498) 7.947 5.463 ( -2.237 -1.882 9.149) 9.604 5.528 ( 4.644 -2.251 -0.196) 5.165 5.650 ( -2.869 -4.642 -1.896) 5.777 5.857 ( 9.208 -13.614 -3.028) 16.712 6.087 ( -11.610 -10.866 -3.171) 16.215 6.305 ( 12.132 6.932 9.169) 16.713 6.520 ( 2.995 0.184 -15.473) 15.761 6.629 ( -15.343 6.498 10.815) 19.864 6.683 ( -9.519 -2.955 -17.573) 20.203 7.011 ( 6.125 9.388 -2.311) 11.446 7.034 ( 4.452 8.416 -1.509) 9.640 7.195 ( 11.526 0.961 -2.828) 11.906 7.411 ( 6.088 7.135 1.048) 9.438 7.435 ( -7.715 1.367 -3.039) 8.404 7.561 ( -3.596 7.401 3.486) 8.936 7.649 ( 9.279 0.898 2.972) 9.784 7.876 ( -12.472 0.414 -0.018) 12.479 7.914 ( 0.123 5.476 -8.270) 9.920 7.977 ( -5.617 1.824 -4.459) 7.400 8.174 ( 5.975 -5.165 -7.147) 10.652 8.258 ( -3.369 -2.316 -4.923) 6.399 8.419 ( 1.342 -9.893 -5.360) 11.331 8.459 ( -2.667 -8.286 -6.200) 10.687 8.742 ( 1.852 3.064 -8.384) 9.117 8.769 ( -0.219 0.318 -6.827) 6.838 8.841 ( -0.170 -7.437 7.603) 10.636 8.869 ( -3.793 -9.610 6.549) 12.232 9.053 ( 4.660 3.312 -0.299) 5.725 9.122 ( -1.608 4.210 0.222) 4.512 9.288 ( 3.920 -2.296 -2.187) 5.042 9.374 ( -3.899 -1.589 -2.081) 4.697 9.781 ( 1.412 5.282 -2.110) 5.861 9.857 ( -5.695 4.431 -3.545) 8.040 10.090 ( 2.541 -4.646 -1.351) 5.465 10.127 ( -1.760 -6.806 -1.430) 7.174 10.959 ( 11.738 9.083 12.070) 19.131 11.169 ( -8.950 7.590 8.747) 14.637 11.449 ( 5.629 -1.411 -2.345) 6.259 11.534 ( 4.937 -3.393 -2.132) 6.359 11.607 ( -5.702 -3.730 -3.297) 7.569 11.693 ( -6.681 -5.195 -4.644) 9.653 12.867 ( 1.262 -3.183 3.691) 5.035 12.902 ( -2.003 -3.393 2.383) 4.605 13.122 ( 3.150 1.591 8.567) 9.265 13.196 ( -4.313 -0.173 11.788) 12.554 13.843 ( 9.049 9.006 -12.027) 17.540 13.982 ( -4.399 8.038 -12.476) 15.480 14.388 ( 6.985 -5.147 -6.261) 10.700 14.550 ( -8.770 -6.681 -10.043) 14.913 ======================= Grid point 171 (40/50) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 3.437 3.437 11.440) 12.430 3.111 ( -2.200 -2.200 9.266) 9.775 3.638 ( 9.246 9.246 5.000) 13.999 3.693 ( 12.749 12.749 5.279) 18.787 3.808 ( 0.911 0.911 12.762) 12.827 3.905 ( 2.394 2.394 14.843) 15.224 3.961 ( -3.014 -3.014 19.313) 19.778 3.995 ( -7.198 -7.198 10.268) 14.459 4.263 ( 6.010 6.010 1.680) 8.663 4.397 ( -2.614 -2.614 4.461) 5.794 4.664 ( -2.709 -2.709 3.916) 5.479 4.691 ( -2.574 -2.574 3.826) 5.281 4.801 ( -2.716 -2.716 4.852) 6.189 4.821 ( -5.188 -5.188 13.108) 15.022 5.277 ( 9.641 9.641 -13.648) 19.292 5.409 ( 2.772 2.772 1.746) 4.291 5.455 ( 0.634 0.634 12.681) 12.713 5.461 ( 3.254 3.254 -7.278) 8.611 5.536 ( -6.234 -6.234 -0.541) 8.833 5.584 ( -0.593 -0.593 -1.387) 1.621 5.597 ( -1.394 -1.394 -10.831) 11.009 5.835 ( -14.008 -14.008 -8.135) 21.415 6.501 ( 0.064 0.064 -22.565) 22.565 6.530 ( 14.479 14.479 17.223) 26.756 6.558 ( -5.773 -5.773 -23.717) 25.083 6.737 ( -1.833 -1.833 18.614) 18.794 7.087 ( 0.648 0.648 3.351) 3.474 7.160 ( -0.916 -0.916 4.615) 4.794 7.312 ( 10.923 10.923 -1.649) 15.535 7.437 ( -1.803 -1.803 -2.082) 3.292 7.570 ( 9.768 9.768 1.688) 13.917 7.679 ( 4.042 4.042 6.901) 8.961 7.730 ( 5.162 5.162 3.102) 7.932 7.855 ( -2.104 -2.104 -1.856) 3.508 7.914 ( -4.724 -4.724 -0.889) 6.740 7.958 ( -4.563 -4.563 -6.404) 9.091 8.121 ( 1.783 1.783 -5.956) 6.468 8.199 ( -4.748 -4.748 -2.579) 7.194 8.260 ( -3.619 -3.619 -18.221) 18.926 8.287 ( -6.397 -6.397 -14.993) 17.512 8.749 ( -1.992 -1.992 10.432) 10.806 8.753 ( -2.531 -2.531 9.124) 9.801 8.777 ( 0.691 0.691 -9.608) 9.657 8.783 ( 0.089 0.089 -8.632) 8.633 9.139 ( 5.112 5.112 0.163) 7.231 9.212 ( 2.141 2.141 2.865) 4.168 9.241 ( -0.150 -0.150 -3.508) 3.515 9.323 ( -3.941 -3.941 -0.865) 5.641 9.817 ( 0.266 0.266 -0.947) 1.019 9.853 ( -3.284 -3.284 -1.384) 4.846 10.067 ( 1.303 1.303 -4.417) 4.786 10.079 ( 0.150 0.150 -4.242) 4.248 11.132 ( 8.483 8.483 8.863) 14.916 11.246 ( -1.448 -1.448 6.381) 6.702 11.447 ( 1.422 1.422 -2.013) 2.846 11.487 ( -1.398 -1.398 -0.295) 1.999 11.538 ( -1.470 -1.470 -1.284) 2.444 11.593 ( -4.910 -4.910 -1.151) 7.039 12.832 ( -0.401 -0.401 4.806) 4.839 12.849 ( -1.962 -1.962 4.272) 5.094 13.148 ( 1.279 1.279 9.781) 9.947 13.176 ( -1.547 -1.547 11.097) 11.311 14.016 ( 8.257 8.257 -14.437) 18.568 14.105 ( 1.771 1.771 -17.348) 17.528 14.312 ( -0.132 -0.132 -5.052) 5.055 14.410 ( -7.499 -7.499 -9.203) 14.041 ======================= Grid point 196 (41/50) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( -0.000 -0.000 21.364) 21.364 2.780 ( 0.000 0.000 21.364) 21.364 3.409 ( 0.000 0.000 -10.662) 10.662 3.409 ( 0.000 0.000 -10.662) 10.662 3.782 ( 0.000 0.000 -1.827) 1.827 3.794 ( -0.000 -0.000 -2.970) 2.970 4.127 ( 0.000 -0.000 -0.393) 0.393 4.127 ( 0.000 0.000 -0.393) 0.393 4.156 ( 0.000 0.000 -7.208) 7.208 4.156 ( -0.000 0.000 -7.208) 7.208 4.762 ( -0.000 0.000 13.816) 13.816 4.833 ( 0.000 0.000 -5.970) 5.970 4.858 ( -0.000 0.000 6.878) 6.878 4.858 ( 0.000 0.000 6.878) 6.878 4.915 ( 0.000 0.000 31.028) 31.028 5.181 ( -0.000 0.000 -0.522) 0.522 5.181 ( 0.000 0.000 -0.522) 0.522 5.607 ( 0.000 0.000 -25.061) 25.061 5.700 ( 0.000 0.000 28.993) 28.993 5.804 ( -0.000 -0.000 7.711) 7.711 5.904 ( 0.000 0.000 -2.555) 2.555 6.243 ( 0.000 0.000 -3.328) 3.328 6.243 ( 0.000 0.000 -3.328) 3.328 6.413 ( 0.000 0.000 -39.589) 39.589 6.443 ( 0.000 -0.000 24.156) 24.156 6.618 ( 0.000 0.000 23.722) 23.722 6.791 ( 0.000 0.000 -3.112) 3.112 6.791 ( 0.000 0.000 -3.112) 3.112 6.930 ( 0.000 -0.000 -22.430) 22.430 7.120 ( 0.000 0.000 -25.071) 25.071 7.359 ( -0.000 0.000 -1.991) 1.991 7.359 ( 0.000 0.000 -1.991) 1.991 7.935 ( 0.000 0.000 5.080) 5.080 8.037 ( 0.000 0.000 -5.015) 5.015 8.109 ( 0.000 0.000 0.825) 0.825 8.109 ( 0.000 0.000 0.825) 0.825 8.315 ( -0.000 0.000 2.780) 2.780 8.315 ( 0.000 0.000 2.780) 2.780 8.372 ( 0.000 0.000 13.357) 13.357 8.375 ( -0.000 -0.000 -2.024) 2.024 8.375 ( 0.000 0.000 -2.024) 2.024 8.636 ( 0.000 0.000 -10.948) 10.948 8.887 ( -0.000 0.000 3.491) 3.491 8.958 ( 0.000 0.000 -3.211) 3.211 9.337 ( 0.000 -0.000 3.069) 3.069 9.380 ( 0.000 0.000 -0.208) 0.208 9.475 ( -0.000 0.000 2.616) 2.616 9.475 ( 0.000 0.000 2.616) 2.616 9.775 ( 0.000 0.000 3.692) 3.692 9.775 ( 0.000 0.000 3.692) 3.692 10.350 ( 0.000 0.000 13.285) 13.285 10.627 ( -0.000 -0.000 -13.634) 13.634 10.781 ( 0.000 0.000 -4.249) 4.249 10.781 ( 0.000 0.000 -4.249) 4.249 10.852 ( 0.000 0.000 12.653) 12.653 11.161 ( 0.000 0.000 -16.996) 16.996 12.109 ( 0.000 0.000 -0.619) 0.619 12.109 ( 0.000 0.000 -0.619) 0.619 12.950 ( 0.000 -0.000 0.438) 0.438 12.950 ( 0.000 0.000 0.438) 0.438 13.067 ( 0.000 0.000 -1.646) 1.646 13.067 ( 0.000 0.000 -1.646) 1.646 13.441 ( -0.000 0.000 7.258) 7.258 13.557 ( 0.000 -0.000 -4.590) 4.590 14.614 ( -0.000 0.000 9.872) 9.872 14.828 ( -0.000 -0.000 -10.656) 10.656 ======================= Grid point 197 (42/50) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( -0.232 0.000 18.111) 18.112 2.876 ( 9.475 0.000 20.484) 22.569 3.392 ( -3.210 0.000 -9.396) 9.929 3.491 ( 8.178 0.000 -9.471) 12.513 3.640 ( -7.163 0.000 1.148) 7.255 3.748 ( -2.915 0.000 -2.619) 3.919 4.137 ( -2.225 0.000 -3.614) 4.244 4.197 ( 4.015 0.000 -4.872) 6.313 4.201 ( 6.729 0.000 -0.314) 6.736 4.408 ( 20.499 0.000 -3.310) 20.765 4.746 ( -3.236 0.000 9.856) 10.373 4.774 ( -6.186 0.000 6.194) 8.754 4.849 ( 1.900 0.000 -2.111) 2.841 4.915 ( 5.996 0.000 10.571) 12.154 4.958 ( 4.028 0.000 17.109) 17.577 5.050 ( -11.874 0.000 0.294) 11.878 5.299 ( 11.671 0.000 0.199) 11.673 5.587 ( -1.952 0.000 -16.110) 16.228 5.707 ( 2.100 0.000 25.930) 26.015 5.853 ( 0.849 0.000 5.952) 6.012 5.976 ( 7.147 0.000 0.365) 7.157 6.233 ( -0.906 0.000 -2.256) 2.431 6.246 ( 0.588 0.000 -4.905) 4.940 6.394 ( -3.826 0.000 12.751) 13.313 6.395 ( -0.833 0.000 -33.162) 33.173 6.480 ( -10.668 0.000 15.397) 18.732 6.793 ( 3.250 0.000 -6.294) 7.083 6.847 ( 3.257 0.000 -4.597) 5.633 7.009 ( -5.750 0.000 -17.643) 18.556 7.051 ( 9.260 0.000 -9.890) 13.548 7.367 ( 0.792 0.000 -2.219) 2.356 7.577 ( 13.537 0.000 -1.361) 13.605 7.834 ( -12.078 0.000 0.080) 12.078 7.903 ( -8.680 0.000 2.168) 8.947 8.061 ( -5.046 0.000 2.477) 5.621 8.090 ( -2.477 0.000 1.269) 2.783 8.304 ( -1.064 0.000 1.942) 2.214 8.326 ( 0.609 0.000 2.537) 2.610 8.353 ( -1.764 0.000 -2.454) 3.022 8.414 ( -1.673 0.000 2.318) 2.858 8.437 ( 8.479 0.000 -1.335) 8.584 8.638 ( 2.256 0.000 -6.981) 7.336 8.891 ( 0.367 0.000 3.139) 3.160 8.961 ( 0.172 0.000 -3.254) 3.258 9.242 ( -6.076 0.000 2.129) 6.439 9.316 ( -3.051 0.000 1.830) 3.558 9.461 ( -1.322 0.000 2.467) 2.799 9.625 ( 4.964 0.000 2.439) 5.531 9.693 ( -5.359 0.000 -0.556) 5.388 9.711 ( -6.046 0.000 2.677) 6.612 10.378 ( 2.454 0.000 11.734) 11.988 10.564 ( -3.674 0.000 -5.940) 6.984 10.624 ( -6.781 0.000 1.751) 7.004 10.910 ( 10.445 0.000 -8.602) 13.531 11.000 ( 6.873 0.000 3.494) 7.710 11.208 ( 4.761 0.000 -10.603) 11.623 12.058 ( -5.246 0.000 -0.956) 5.332 12.071 ( -4.640 0.000 -0.191) 4.644 12.952 ( 0.190 0.000 0.312) 0.366 12.976 ( 3.156 0.000 1.595) 3.536 13.058 ( -0.898 0.000 -1.482) 1.733 13.099 ( 3.306 0.000 -2.811) 4.340 13.460 ( 0.711 0.000 6.098) 6.139 13.610 ( 5.866 0.000 -4.124) 7.171 14.567 ( -4.969 0.000 8.781) 10.090 14.782 ( -4.186 0.000 -10.145) 10.975 ======================= Grid point 198 (43/50) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( 0.797 0.000 10.722) 10.751 3.121 ( 15.343 0.000 18.885) 24.332 3.244 ( -11.354 0.000 -3.017) 11.748 3.591 ( 1.461 0.000 2.470) 2.870 3.698 ( 11.999 0.000 -5.047) 13.017 3.741 ( 2.111 0.000 -2.801) 3.508 4.052 ( -6.456 0.000 2.358) 6.873 4.255 ( 1.208 0.000 -2.082) 2.407 4.328 ( 4.377 0.000 -2.437) 5.009 4.683 ( -2.763 0.000 7.829) 8.302 4.713 ( -2.471 0.000 6.205) 6.680 4.749 ( 3.465 0.000 -1.834) 3.921 4.809 ( -4.733 0.000 4.979) 6.870 4.841 ( 4.642 0.000 -2.276) 5.170 5.018 ( 3.231 0.000 -7.016) 7.725 5.091 ( 7.210 0.000 7.574) 10.457 5.526 ( 7.411 0.000 -4.865) 8.865 5.662 ( 14.277 0.000 4.384) 14.935 5.801 ( -4.497 0.000 6.172) 7.636 5.820 ( 9.594 0.000 23.914) 25.767 6.050 ( -2.686 0.000 0.213) 2.695 6.205 ( -6.141 0.000 1.156) 6.249 6.230 ( 1.742 0.000 -0.548) 1.826 6.299 ( -2.658 0.000 -1.099) 2.876 6.349 ( -0.649 0.000 -1.374) 1.520 6.503 ( 10.764 0.000 -23.022) 25.414 6.843 ( -2.775 0.000 -13.200) 13.489 6.935 ( 10.513 0.000 -1.657) 10.643 6.946 ( -2.621 0.000 -2.293) 3.482 7.245 ( 10.904 0.000 -2.489) 11.184 7.382 ( 0.394 0.000 -1.657) 1.703 7.459 ( -20.684 0.000 2.601) 20.847 7.643 ( -14.389 0.000 -3.140) 14.728 7.831 ( 0.633 0.000 11.722) 11.739 7.988 ( -8.372 0.000 1.678) 8.539 8.008 ( 2.936 0.000 -3.632) 4.670 8.270 ( -10.545 0.000 -6.800) 12.547 8.286 ( -0.378 0.000 -1.352) 1.404 8.324 ( -1.241 0.000 -1.445) 1.905 8.330 ( -0.959 0.000 -2.856) 3.013 8.638 ( 10.801 0.000 2.642) 11.120 8.756 ( 8.722 0.000 -3.147) 9.272 8.898 ( 0.425 0.000 1.872) 1.919 8.959 ( -0.484 0.000 -3.147) 3.184 9.157 ( -2.844 0.000 3.044) 4.166 9.279 ( 0.187 0.000 -0.454) 0.491 9.434 ( -1.198 0.000 2.098) 2.416 9.469 ( -11.208 0.000 -0.997) 11.252 9.576 ( -7.043 0.000 1.295) 7.162 9.697 ( -3.883 0.000 -2.816) 4.797 10.425 ( 2.138 0.000 7.635) 7.929 10.515 ( -1.531 0.000 1.467) 2.120 10.622 ( 7.212 0.000 2.662) 7.687 11.077 ( 1.060 0.000 0.825) 1.343 11.143 ( 13.430 0.000 -8.395) 15.838 11.329 ( 7.223 0.000 -2.948) 7.802 11.910 ( -9.925 0.000 -1.978) 10.121 11.914 ( -11.179 0.000 0.438) 11.187 12.960 ( 0.653 0.000 0.026) 0.653 13.035 ( -1.461 0.000 -1.101) 1.830 13.077 ( 6.623 0.000 5.447) 8.575 13.194 ( 6.235 0.000 -5.056) 8.028 13.456 ( -0.308 0.000 2.705) 2.723 13.739 ( 5.042 0.000 -2.264) 5.527 14.445 ( -5.888 0.000 3.805) 7.010 14.685 ( -5.826 0.000 -7.237) 9.291 ======================= Grid point 199 (44/50) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 5.968 0.000 4.729) 7.614 3.011 ( -11.495 0.000 0.952) 11.534 3.442 ( 17.270 0.000 17.490) 24.579 3.670 ( 5.723 0.000 2.533) 6.258 3.744 ( -11.753 0.000 14.665) 18.793 3.758 ( -2.021 0.000 -0.434) 2.067 4.062 ( 11.590 0.000 -9.637) 15.073 4.290 ( -8.834 0.000 -8.216) 12.064 4.298 ( 5.523 0.000 0.085) 5.524 4.484 ( -12.807 0.000 1.330) 12.876 4.668 ( 1.502 0.000 8.335) 8.469 4.719 ( -3.653 0.000 9.350) 10.038 4.882 ( 9.388 0.000 2.331) 9.673 4.996 ( 0.611 0.000 -0.272) 0.669 5.084 ( 3.612 0.000 -11.134) 11.705 5.139 ( -1.313 0.000 -8.607) 8.706 5.690 ( 9.037 0.000 11.158) 14.358 5.776 ( 3.819 0.000 2.531) 4.581 5.823 ( -2.743 0.000 8.798) 9.216 5.918 ( -8.854 0.000 -1.234) 8.939 6.043 ( 11.308 0.000 8.305) 14.031 6.150 ( -0.401 0.000 -3.859) 3.880 6.279 ( 2.810 0.000 -2.281) 3.619 6.329 ( -2.029 0.000 -2.374) 3.122 6.387 ( 13.566 0.000 4.035) 14.154 6.736 ( -10.352 0.000 1.504) 10.461 6.776 ( 7.968 0.000 -4.420) 9.112 6.890 ( 6.167 0.000 -9.442) 11.277 7.099 ( -12.493 0.000 -5.246) 13.549 7.152 ( 10.902 0.000 0.552) 10.916 7.281 ( -20.770 0.000 -6.568) 21.784 7.316 ( -5.257 0.000 0.303) 5.265 7.510 ( 13.687 0.000 -0.620) 13.701 7.777 ( -13.057 0.000 0.544) 13.069 7.838 ( 3.196 0.000 8.360) 8.950 7.977 ( -9.595 0.000 1.992) 9.799 8.195 ( 5.069 0.000 -11.039) 12.147 8.289 ( -3.643 0.000 -6.167) 7.163 8.289 ( 0.545 0.000 -2.033) 2.104 8.304 ( -0.893 0.000 -1.202) 1.497 8.819 ( 7.476 0.000 5.108) 9.055 8.887 ( 2.011 0.000 0.133) 2.016 8.912 ( 1.141 0.000 -0.360) 1.196 8.940 ( -1.458 0.000 -2.365) 2.778 9.146 ( 2.759 0.000 -0.228) 2.769 9.266 ( -8.629 0.000 -3.632) 9.362 9.355 ( 7.272 0.000 -2.062) 7.558 9.425 ( 0.592 0.000 1.582) 1.689 9.467 ( -3.941 0.000 1.082) 4.087 9.541 ( -10.439 0.000 -3.376) 10.971 10.461 ( 1.727 0.000 5.229) 5.507 10.491 ( -1.313 0.000 4.714) 4.893 10.837 ( 12.551 0.000 3.190) 12.950 11.030 ( -6.386 0.000 2.115) 6.727 11.415 ( 14.420 0.000 -6.037) 15.633 11.479 ( 8.712 0.000 -1.005) 8.770 11.679 ( -12.031 0.000 -0.051) 12.031 11.684 ( -13.200 0.000 -3.697) 13.708 12.978 ( 1.212 0.000 -0.310) 1.251 13.005 ( -1.549 0.000 -0.684) 1.693 13.198 ( 5.492 0.000 5.663) 7.889 13.269 ( -0.679 0.000 1.500) 1.647 13.522 ( 8.771 0.000 -2.582) 9.143 13.713 ( -7.915 0.000 -1.826) 8.123 14.426 ( 4.435 0.000 -1.710) 4.753 14.556 ( -7.454 0.000 -4.505) 8.710 ======================= Grid point 204 (45/50) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( 4.696 4.696 18.128) 19.306 2.884 ( 5.455 5.455 16.658) 18.357 3.426 ( -1.927 -1.927 -6.865) 7.386 3.428 ( -0.293 -0.293 -5.601) 5.616 3.717 ( 1.229 1.229 -1.542) 2.323 3.727 ( 5.505 5.505 -1.641) 7.956 4.161 ( -0.113 -0.113 -2.445) 2.450 4.177 ( 0.539 0.539 -4.058) 4.129 4.372 ( 7.003 7.003 1.412) 10.004 4.398 ( 5.529 5.529 -1.481) 7.958 4.750 ( -0.582 -0.582 6.146) 6.200 4.760 ( -1.850 -1.850 9.712) 10.058 4.855 ( -0.795 -0.795 -0.161) 1.136 4.915 ( 0.722 0.722 -7.962) 8.027 4.921 ( 1.655 1.655 18.525) 18.673 5.176 ( -0.072 -0.072 -7.101) 7.102 5.223 ( 4.272 4.272 12.983) 14.320 5.573 ( -1.577 -1.577 -16.070) 16.224 5.700 ( 0.921 0.921 29.774) 29.803 5.948 ( 4.114 4.114 8.148) 10.012 6.020 ( 4.683 4.683 -1.183) 6.728 6.194 ( -1.785 -1.785 2.158) 3.321 6.283 ( 1.580 1.580 -9.778) 10.030 6.295 ( -6.396 -6.396 12.901) 15.756 6.392 ( 1.089 1.089 -29.840) 29.880 6.530 ( 0.626 0.626 18.086) 18.107 6.620 ( -6.401 -6.401 -20.117) 22.060 6.943 ( -3.432 -3.432 -19.325) 19.925 6.978 ( 6.481 6.481 4.673) 10.288 7.121 ( 6.505 6.505 -9.266) 13.057 7.540 ( 6.517 6.517 2.058) 9.443 7.583 ( 5.561 5.561 -2.590) 8.279 7.757 ( -10.543 -10.543 1.445) 14.980 7.791 ( -6.724 -6.724 -1.169) 9.581 8.005 ( -4.350 -4.350 6.743) 9.127 8.108 ( -0.600 -0.600 -3.316) 3.423 8.251 ( -2.196 -2.196 4.395) 5.382 8.355 ( -0.589 -0.589 -5.396) 5.460 8.400 ( 1.202 1.202 3.034) 3.478 8.427 ( 3.350 3.350 -1.707) 5.036 8.474 ( 3.285 3.285 1.284) 4.820 8.593 ( -2.268 -2.268 -7.141) 7.828 8.902 ( 1.047 1.047 2.787) 3.156 8.967 ( 0.568 0.568 -3.163) 3.264 9.199 ( -4.438 -4.438 4.232) 7.570 9.247 ( -2.139 -2.139 -0.821) 3.134 9.529 ( -0.847 -0.847 5.234) 5.369 9.570 ( -9.200 -9.200 5.446) 14.105 9.666 ( 5.162 5.162 -2.711) 7.787 9.709 ( -1.423 -1.423 -2.657) 3.333 10.309 ( -4.926 -4.926 7.415) 10.174 10.450 ( -7.354 -7.354 -6.386) 12.204 10.709 ( 4.717 4.717 10.679) 12.591 10.953 ( 6.958 6.958 -12.542) 15.941 11.111 ( 6.936 6.936 3.671) 10.473 11.236 ( 3.340 3.340 -8.110) 9.386 12.018 ( -5.051 -5.051 -0.455) 7.157 12.020 ( -4.782 -4.782 -0.687) 6.798 12.949 ( -0.435 -0.435 1.354) 1.487 12.969 ( 0.273 0.273 -0.246) 0.458 13.072 ( 1.597 1.597 2.119) 3.097 13.155 ( 5.082 5.082 -5.572) 9.094 13.492 ( 1.798 1.798 7.792) 8.196 13.630 ( 3.069 3.069 -6.255) 7.613 14.531 ( -3.950 -3.950 8.569) 10.229 14.730 ( -4.776 -4.776 -10.484) 12.471 ======================= Grid point 205 (46/50) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( 1.738 11.141 10.728) 15.564 3.124 ( 13.958 1.079 14.932) 20.468 3.304 ( -6.923 4.939 -1.393) 8.617 3.491 ( 3.629 -6.109 -0.861) 7.157 3.769 ( 2.991 6.049 2.522) 7.204 3.872 ( 8.486 10.065 -4.963) 14.069 4.109 ( -5.311 4.844 0.743) 7.227 4.170 ( 0.770 -4.128 -0.057) 4.199 4.424 ( 3.779 5.201 -0.149) 6.431 4.573 ( 1.424 -9.453 10.523) 14.217 4.696 ( -5.365 -1.401 8.186) 9.888 4.794 ( 5.075 0.872 -1.755) 5.440 4.809 ( -0.066 0.908 0.169) 0.926 4.856 ( -4.825 4.621 -5.335) 8.549 5.037 ( 5.718 -1.561 -1.747) 6.180 5.111 ( 0.217 4.193 -1.903) 4.610 5.447 ( 10.904 -7.008 2.071) 13.126 5.575 ( 3.981 -4.030 -0.517) 5.688 5.792 ( 7.589 -3.238 22.753) 24.202 5.884 ( -6.470 3.986 7.358) 10.577 6.123 ( 2.253 -3.063 -3.138) 4.930 6.144 ( -5.065 -1.075 9.937) 11.205 6.233 ( 2.877 2.833 6.386) 7.555 6.315 ( 2.410 0.915 -10.526) 10.838 6.358 ( -5.376 1.664 -9.329) 10.895 6.573 ( 11.482 7.209 -18.198) 22.693 6.680 ( 4.922 -6.900 -4.904) 9.792 6.906 ( 0.055 -2.134 -14.119) 14.279 7.067 ( 1.235 6.603 7.157) 9.816 7.268 ( 7.781 1.371 -0.232) 7.904 7.434 ( -14.566 3.486 -1.858) 15.092 7.540 ( -5.238 4.620 1.731) 7.196 7.621 ( -8.829 1.202 -5.667) 10.560 7.794 ( 4.084 -3.042 9.671) 10.929 7.956 ( 2.179 -4.011 -0.313) 4.575 8.031 ( -7.439 2.696 -1.731) 8.100 8.226 ( -1.229 -3.586 -1.937) 4.257 8.270 ( -8.364 -0.924 -1.538) 8.555 8.381 ( -1.544 3.164 -3.518) 4.977 8.412 ( -3.135 7.360 -4.218) 9.044 8.591 ( 8.537 -4.413 2.788) 10.006 8.679 ( 8.000 -6.485 -4.081) 11.078 8.931 ( 1.931 2.319 2.146) 3.703 8.985 ( 1.709 1.695 -2.689) 3.609 9.129 ( -2.752 -2.455 5.248) 6.415 9.217 ( -1.452 -2.448 -2.207) 3.602 9.380 ( -9.107 -8.320 3.466) 12.813 9.447 ( -6.347 -4.404 1.045) 7.796 9.618 ( -3.758 8.699 -3.132) 9.980 9.766 ( -0.774 3.901 -1.916) 4.415 10.254 ( 0.334 -11.553 4.437) 12.380 10.350 ( -2.556 -11.175 -2.817) 11.804 10.819 ( 7.400 11.320 9.840) 16.725 11.138 ( 10.164 3.166 -7.567) 13.061 11.199 ( 3.152 7.050 0.094) 7.723 11.342 ( 6.880 1.448 -2.480) 7.456 11.867 ( -10.260 -4.515 -0.378) 11.216 11.876 ( -9.891 -3.985 -1.304) 10.743 12.945 ( 0.244 -1.308 0.909) 1.612 12.979 ( 0.194 -2.760 -0.413) 2.797 13.134 ( 4.896 3.909 6.024) 8.691 13.274 ( 6.796 7.072 -7.070) 12.090 13.488 ( -1.249 2.771 5.052) 5.896 13.727 ( 4.700 -0.904 -4.914) 6.860 14.424 ( -5.705 -2.209 4.411) 7.542 14.626 ( -5.843 -5.714 -8.232) 11.600 ======================= Grid point 206 (47/50) ======================= q-point: ( 0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( 5.745 12.003 5.104) 14.252 3.111 ( -8.963 9.555 1.763) 13.219 3.433 ( 12.998 -1.252 11.552) 17.434 3.555 ( 1.176 -7.320 2.092) 7.703 3.783 ( 0.685 5.778 5.958) 8.328 3.897 ( -8.762 9.159 8.438) 15.227 4.126 ( 10.118 4.876 -3.574) 11.786 4.251 ( 4.264 1.275 -1.704) 4.765 4.401 ( -4.602 5.061 0.437) 6.854 4.497 ( -7.092 0.260 4.231) 8.262 4.629 ( 0.650 -3.239 6.111) 6.947 4.695 ( -6.517 0.082 -0.241) 6.522 4.889 ( 5.290 -2.263 2.256) 6.180 4.918 ( 2.867 -6.262 -4.482) 8.217 5.108 ( 1.460 -0.320 -6.573) 6.741 5.127 ( 0.207 3.067 -6.690) 7.363 5.615 ( 4.985 -3.924 5.021) 8.091 5.667 ( 2.746 -9.118 0.528) 9.537 5.775 ( 0.702 -4.575 9.202) 10.300 5.887 ( -3.602 -5.600 15.058) 16.464 6.097 ( 3.737 -2.027 -1.749) 4.597 6.159 ( -0.421 -5.095 -6.864) 8.559 6.262 ( -0.109 1.484 -7.910) 8.048 6.300 ( -2.025 -0.248 -3.485) 4.038 6.467 ( 15.142 6.982 11.331) 20.160 6.792 ( 7.547 0.661 -4.082) 8.605 6.813 ( -11.459 3.910 13.188) 17.903 6.858 ( 13.294 6.313 -17.464) 22.838 6.973 ( -6.517 -4.358 1.367) 7.959 7.185 ( -15.493 2.689 -13.371) 20.641 7.345 ( 1.736 5.513 2.590) 6.334 7.423 ( -2.759 6.739 -1.521) 7.439 7.613 ( 7.835 8.508 -2.392) 11.811 7.803 ( -4.608 0.821 4.095) 6.219 7.867 ( -3.496 3.280 4.266) 6.417 7.970 ( -7.117 -1.163 1.938) 7.468 8.142 ( 2.075 -3.686 -7.298) 8.435 8.207 ( -2.589 -5.647 -2.338) 6.638 8.363 ( 0.055 3.993 -5.677) 6.941 8.378 ( -1.230 5.498 -3.994) 6.905 8.728 ( 5.403 -7.262 2.342) 9.349 8.783 ( 0.821 -7.078 -1.447) 7.271 8.981 ( 3.542 4.074 1.719) 5.666 9.034 ( 0.541 5.583 -0.333) 5.619 9.098 ( 1.648 -4.876 2.971) 5.943 9.177 ( -3.499 -8.846 1.162) 9.583 9.268 ( -1.202 -1.914 -4.411) 4.956 9.324 ( -5.518 -6.543 -2.378) 8.883 9.591 ( 1.410 9.363 -1.058) 9.528 9.673 ( -6.340 7.583 -1.529) 10.001 10.296 ( 2.412 -13.071 2.993) 13.625 10.325 ( -0.843 -12.359 0.881) 12.419 10.996 ( 10.140 11.061 6.897) 16.515 11.154 ( -5.028 9.806 4.058) 11.744 11.397 ( 13.121 -1.554 -5.423) 14.282 11.481 ( 7.774 0.266 -1.766) 7.977 11.645 ( -12.179 -3.300 -1.011) 12.658 11.664 ( -11.320 -2.247 -2.909) 11.902 12.957 ( 0.826 -1.867 0.293) 2.062 12.973 ( -0.720 -2.518 -0.154) 2.623 13.242 ( 5.733 4.031 6.855) 9.804 13.332 ( -2.505 5.621 2.846) 6.780 13.544 ( 8.548 2.104 -4.099) 9.711 13.716 ( -6.520 0.284 -4.115) 7.715 14.392 ( 3.242 -3.323 -1.565) 4.899 14.503 ( -6.768 -5.140 -4.985) 9.853 ======================= Grid point 212 (48/50) ======================= q-point: ( 0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( 7.272 7.272 13.839) 17.242 3.209 ( 10.999 10.999 6.951) 17.037 3.381 ( -1.811 -1.811 -0.809) 2.686 3.408 ( 2.136 2.136 -2.427) 3.875 3.924 ( 8.321 8.321 7.837) 14.139 4.003 ( 0.643 0.643 1.982) 2.181 4.163 ( -0.432 -0.432 -0.941) 1.122 4.184 ( 8.385 8.385 -5.036) 12.884 4.446 ( -0.834 -0.834 12.082) 12.140 4.480 ( -0.697 -0.697 11.864) 11.905 4.669 ( -3.429 -3.429 -0.701) 4.899 4.740 ( -3.228 -3.228 -6.021) 7.556 4.839 ( 1.440 1.440 6.531) 6.841 4.984 ( 3.876 3.876 -8.143) 9.816 5.017 ( 1.465 1.465 -1.930) 2.831 5.143 ( -1.513 -1.513 -11.346) 11.546 5.391 ( 3.080 3.080 9.874) 10.792 5.517 ( -1.380 -1.380 -6.024) 6.332 5.724 ( -3.470 -3.470 13.439) 14.307 5.880 ( -3.306 -3.306 18.044) 18.640 6.029 ( -5.160 -5.160 -15.064) 16.738 6.048 ( -7.780 -7.780 15.059) 18.650 6.234 ( -5.600 -5.600 -15.237) 17.172 6.370 ( 11.047 11.047 18.154) 23.951 6.392 ( -3.327 -3.327 -18.030) 18.633 6.738 ( 10.666 10.666 -15.567) 21.676 6.753 ( 10.648 10.648 2.829) 15.321 6.919 ( 5.946 5.946 -11.863) 14.541 7.202 ( 4.578 4.578 12.961) 14.487 7.257 ( -0.844 -0.844 5.022) 5.162 7.470 ( -7.045 -7.045 -7.272) 12.335 7.504 ( 2.772 2.772 -8.477) 9.340 7.751 ( 2.979 2.979 8.448) 9.440 7.754 ( 2.461 2.461 0.359) 3.498 7.899 ( -0.791 -0.791 0.052) 1.120 8.040 ( -3.290 -3.290 -6.387) 7.902 8.127 ( -4.379 -4.379 3.626) 7.176 8.250 ( -4.643 -4.643 -8.499) 10.740 8.394 ( -2.173 -2.173 4.427) 5.389 8.462 ( -4.923 -4.923 -2.560) 7.417 8.568 ( 2.753 2.753 -2.815) 4.805 8.598 ( 2.300 2.300 -4.996) 5.961 8.978 ( 2.759 2.759 1.181) 4.076 8.992 ( -0.528 -0.528 1.189) 1.404 9.095 ( -2.353 -2.353 4.941) 5.957 9.198 ( -1.478 -1.478 -4.313) 4.793 9.208 ( -5.363 -5.363 8.121) 11.112 9.358 ( -4.232 -4.232 -5.666) 8.242 9.757 ( 2.206 2.206 0.812) 3.223 9.816 ( 2.392 2.392 -4.509) 5.637 10.090 ( -4.846 -4.846 2.484) 7.289 10.155 ( -6.959 -6.959 -3.415) 10.417 11.009 ( 8.742 8.742 11.801) 17.091 11.220 ( 6.093 6.093 -8.999) 12.460 11.332 ( 4.174 4.174 3.588) 6.907 11.391 ( 4.378 4.378 -1.823) 6.454 11.740 ( -8.425 -8.425 -0.305) 11.919 11.760 ( -7.747 -7.747 -2.075) 11.151 12.923 ( -0.693 -0.693 1.952) 2.184 12.945 ( -1.036 -1.036 -0.369) 1.510 13.223 ( 5.152 5.152 8.961) 11.549 13.426 ( 8.057 8.057 -10.780) 15.686 13.515 ( -1.052 -1.052 11.002) 11.102 13.733 ( 1.707 1.707 -10.971) 11.234 14.358 ( -4.283 -4.283 4.107) 7.318 14.497 ( -6.701 -6.701 -9.101) 13.139 ======================= Grid point 213 (49/50) ======================= q-point: ( 0.43 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 4.272 8.867 9.081) 13.392 3.292 ( -3.751 3.990 5.512) 7.770 3.437 ( 6.374 6.013 -0.401) 8.772 3.479 ( 2.392 3.959 -2.669) 5.340 3.945 ( 2.916 9.088 7.016) 11.846 4.071 ( -3.973 7.934 4.913) 10.142 4.201 ( 8.737 3.968 11.509) 14.985 4.348 ( 0.615 6.378 2.894) 7.031 4.402 ( 0.073 -5.048 11.092) 12.187 4.437 ( -2.939 -6.645 7.971) 10.786 4.645 ( 2.977 6.677 -6.544) 9.812 4.717 ( -0.442 -3.084 -9.326) 9.832 4.826 ( -2.676 -2.722 -0.695) 3.880 4.861 ( -8.404 7.902 -3.661) 12.102 5.124 ( 5.860 -1.033 -1.973) 6.269 5.182 ( 2.287 1.243 -5.551) 6.131 5.499 ( 4.068 -7.055 3.820) 8.995 5.541 ( 3.287 -4.816 -3.068) 6.588 5.631 ( -2.243 -9.075 8.112) 12.377 5.782 ( -8.679 -4.047 10.683) 14.347 5.936 ( -1.189 -12.248 9.774) 15.715 5.958 ( -2.260 -13.335 -6.782) 15.130 6.174 ( 0.295 -6.418 -14.266) 15.646 6.256 ( -7.693 -7.683 -17.627) 20.710 6.652 ( 17.017 12.414 20.017) 29.058 6.928 ( -1.137 10.219 10.875) 14.966 6.947 ( 8.560 11.511 -5.255) 15.277 7.054 ( 2.194 11.936 -1.353) 12.211 7.091 ( 1.075 15.194 -2.088) 15.374 7.267 ( -11.668 4.898 -10.824) 16.652 7.422 ( 10.080 1.093 2.730) 10.501 7.555 ( -0.990 7.076 -6.552) 9.694 7.766 ( 2.219 6.283 -1.171) 6.766 7.801 ( 1.457 -0.070 7.678) 7.816 7.898 ( -3.450 -3.024 -1.286) 4.765 7.929 ( -4.760 -1.344 -1.889) 5.294 8.074 ( -2.183 -6.176 -0.786) 6.598 8.097 ( -5.913 -2.176 -6.036) 8.725 8.360 ( 0.525 -7.195 -3.497) 8.017 8.401 ( -2.621 -8.460 -0.064) 8.857 8.605 ( 2.861 -1.523 -3.581) 4.830 8.651 ( -0.515 -4.520 -3.554) 5.773 8.987 ( 0.566 -3.822 5.456) 6.686 9.019 ( -3.187 -5.312 7.067) 9.397 9.048 ( 4.156 1.870 -0.722) 4.614 9.128 ( -3.571 1.820 -1.064) 4.147 9.230 ( 3.010 0.350 -1.485) 3.375 9.292 ( -3.020 1.062 -5.132) 6.048 9.752 ( 0.231 6.714 -0.572) 6.742 9.798 ( -3.791 4.995 -1.875) 6.545 10.071 ( 1.674 -8.890 -0.350) 9.053 10.097 ( -0.986 -9.942 -1.090) 10.050 11.178 ( 9.007 7.395 8.542) 14.449 11.324 ( -4.649 6.535 5.755) 9.871 11.371 ( 9.136 -0.637 -4.843) 10.360 11.493 ( 4.760 0.848 -2.559) 5.471 11.562 ( -9.336 -4.770 -0.401) 10.492 11.607 ( -7.042 -3.125 -3.164) 8.329 12.921 ( 0.385 -1.456 1.559) 2.167 12.931 ( -0.571 -1.609 0.595) 1.808 13.327 ( 5.579 4.112 10.796) 12.829 13.433 ( -5.107 3.270 9.763) 11.493 13.602 ( 8.418 4.214 -10.421) 14.044 13.731 ( -3.614 1.461 -11.279) 11.934 14.311 ( 0.791 -4.671 -0.970) 4.836 14.381 ( -5.381 -6.806 -5.791) 10.431 ======================= Grid point 220 (50/50) ======================= q-point: ( 0.43 0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -0.476 -0.476 6.090) 6.127 3.265 ( -2.365 -2.365 4.494) 5.602 3.665 ( 10.094 10.094 -0.549) 14.286 3.678 ( 10.498 10.498 -2.146) 15.000 4.049 ( 3.275 3.275 10.009) 11.028 4.174 ( 1.680 1.680 -0.197) 2.384 4.221 ( -9.589 -9.589 9.709) 16.678 4.284 ( -7.206 -7.206 8.141) 13.044 4.341 ( 8.917 8.917 10.696) 16.536 4.447 ( 0.230 0.230 0.486) 0.584 4.693 ( 5.590 5.590 2.380) 8.256 4.836 ( -1.321 -1.321 13.644) 13.772 4.850 ( 8.222 8.222 -4.953) 12.638 5.001 ( -2.730 -2.730 2.885) 4.820 5.034 ( 3.893 3.893 -6.291) 8.360 5.204 ( 2.841 2.841 -18.432) 18.865 5.378 ( -12.350 -12.350 1.449) 17.525 5.430 ( -4.740 -4.740 -4.263) 7.944 5.495 ( 2.198 2.198 1.623) 3.506 5.642 ( -12.455 -12.455 -10.240) 20.374 5.772 ( -2.039 -2.039 14.966) 15.241 5.783 ( -3.133 -3.133 14.327) 14.996 6.087 ( -1.735 -1.735 -17.216) 17.390 6.118 ( -4.929 -4.929 -18.820) 20.069 6.916 ( 13.792 13.792 16.605) 25.616 7.082 ( 2.593 2.593 -3.114) 4.811 7.139 ( 5.598 5.598 17.772) 19.456 7.257 ( -3.121 -3.121 8.295) 9.396 7.302 ( 10.126 10.126 0.799) 14.342 7.389 ( 3.586 3.586 1.187) 5.209 7.481 ( 14.231 14.231 -13.206) 24.071 7.687 ( 3.674 3.674 -17.256) 18.022 7.776 ( -2.037 -2.037 1.245) 3.138 7.814 ( -1.330 -1.330 -3.054) 3.586 7.860 ( -2.181 -2.181 0.167) 3.089 7.888 ( 1.682 1.682 3.076) 3.888 8.009 ( -0.666 -0.666 -3.479) 3.604 8.028 ( -6.441 -6.441 -3.007) 9.592 8.121 ( -12.632 -12.632 -0.343) 17.868 8.154 ( -9.706 -9.706 -1.894) 13.856 8.612 ( 0.250 0.250 -5.139) 5.151 8.619 ( -0.376 -0.376 -5.557) 5.583 8.945 ( -0.394 -0.394 8.886) 8.903 8.959 ( -1.596 -1.596 9.556) 9.819 9.094 ( 2.628 2.628 -5.139) 6.342 9.131 ( -0.863 -0.863 -7.136) 7.239 9.273 ( 2.632 2.632 2.512) 4.491 9.305 ( -0.384 -0.384 -0.838) 0.999 9.821 ( 0.898 0.898 1.298) 1.816 9.840 ( -0.769 -0.769 -0.174) 1.101 9.982 ( -0.836 -0.836 -3.002) 3.227 9.987 ( -1.418 -1.418 -3.595) 4.117 11.289 ( 4.667 4.667 6.166) 9.032 11.364 ( -2.321 -2.321 5.205) 6.154 11.386 ( 2.319 2.319 -3.723) 4.962 11.453 ( -4.283 -4.283 -3.348) 6.921 11.539 ( 1.826 1.826 1.163) 2.833 11.566 ( -1.141 -1.141 -1.399) 2.135 12.907 ( -0.130 -0.130 2.134) 2.142 12.911 ( -0.555 -0.555 1.639) 1.817 13.391 ( 2.731 2.731 13.914) 14.440 13.438 ( -1.877 -1.877 14.364) 14.608 13.701 ( 4.995 4.995 -15.922) 17.419 13.755 ( -0.154 -0.154 -16.609) 16.610 14.241 ( -1.608 -1.608 -1.415) 2.678 14.269 ( -4.208 -4.208 -4.297) 7.340 =================== 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 3/29106 10.0 7317.776 7317.776 4586.273 0.000 0.000 0.000 3/29106 20.0 2361.649 2361.649 1862.819 0.000 0.000 0.000 3/29106 30.0 534.718 534.718 452.176 0.000 0.000 0.000 3/29106 40.0 194.124 194.124 167.541 0.000 0.000 0.000 3/29106 50.0 94.625 94.625 82.648 0.000 0.000 0.000 3/29106 60.0 55.411 55.411 48.849 0.000 0.000 0.000 3/29106 70.0 36.640 36.640 32.570 0.000 0.000 0.000 3/29106 80.0 26.369 26.369 23.621 0.000 0.000 0.000 3/29106 90.0 20.175 20.175 18.201 0.000 0.000 0.000 3/29106 100.0 16.154 16.154 14.667 0.000 0.000 0.000 3/29106 110.0 13.389 13.389 12.226 0.000 0.000 0.000 3/29106 120.0 11.397 11.397 10.460 0.000 0.000 0.000 3/29106 130.0 9.908 9.908 9.134 0.000 0.000 0.000 3/29106 140.0 8.760 8.760 8.107 0.000 0.000 0.000 3/29106 150.0 7.850 7.850 7.290 0.000 0.000 0.000 3/29106 160.0 7.115 7.115 6.627 0.000 0.000 0.000 3/29106 170.0 6.508 6.508 6.078 0.000 0.000 0.000 3/29106 180.0 6.000 6.000 5.617 0.000 0.000 0.000 3/29106 190.0 5.568 5.568 5.223 0.000 0.000 0.000 3/29106 200.0 5.197 5.197 4.884 0.000 0.000 0.000 3/29106 210.0 4.874 4.874 4.588 0.000 0.000 0.000 3/29106 220.0 4.591 4.591 4.328 0.000 0.000 0.000 3/29106 230.0 4.340 4.340 4.097 0.000 0.000 0.000 3/29106 240.0 4.117 4.117 3.891 0.000 0.000 0.000 3/29106 250.0 3.917 3.917 3.706 0.000 0.000 0.000 3/29106 260.0 3.736 3.736 3.538 0.000 0.000 0.000 3/29106 270.0 3.572 3.572 3.386 0.000 0.000 0.000 3/29106 280.0 3.422 3.422 3.247 0.000 0.000 0.000 3/29106 290.0 3.285 3.285 3.119 0.000 0.000 0.000 3/29106 300.0 3.159 3.159 3.001 0.000 0.000 0.000 3/29106 310.0 3.043 3.043 2.893 0.000 0.000 0.000 3/29106 320.0 2.935 2.935 2.792 0.000 0.000 0.000 3/29106 330.0 2.835 2.835 2.698 0.000 0.000 0.000 3/29106 340.0 2.742 2.742 2.611 0.000 0.000 0.000 3/29106 350.0 2.655 2.655 2.529 0.000 0.000 0.000 3/29106 360.0 2.574 2.574 2.453 0.000 0.000 0.000 3/29106 370.0 2.497 2.497 2.381 0.000 0.000 0.000 3/29106 380.0 2.426 2.426 2.313 0.000 0.000 0.000 3/29106 390.0 2.358 2.358 2.249 0.000 0.000 0.000 3/29106 400.0 2.294 2.294 2.189 0.000 0.000 0.000 3/29106 410.0 2.234 2.234 2.132 0.000 0.000 0.000 3/29106 420.0 2.176 2.176 2.078 0.000 0.000 0.000 3/29106 430.0 2.122 2.122 2.027 0.000 0.000 0.000 3/29106 440.0 2.071 2.071 1.978 0.000 0.000 0.000 3/29106 450.0 2.021 2.021 1.931 0.000 0.000 0.000 3/29106 460.0 1.975 1.975 1.887 0.000 0.000 0.000 3/29106 470.0 1.930 1.930 1.845 0.000 0.000 0.000 3/29106 480.0 1.888 1.888 1.805 0.000 0.000 0.000 3/29106 490.0 1.847 1.847 1.766 0.000 0.000 0.000 3/29106 500.0 1.808 1.808 1.729 0.000 0.000 0.000 3/29106 510.0 1.771 1.771 1.694 0.000 0.000 0.000 3/29106 520.0 1.735 1.735 1.660 0.000 0.000 0.000 3/29106 530.0 1.701 1.701 1.627 0.000 0.000 0.000 3/29106 540.0 1.668 1.668 1.596 0.000 0.000 0.000 3/29106 550.0 1.636 1.636 1.566 0.000 0.000 0.000 3/29106 560.0 1.606 1.606 1.537 0.000 0.000 0.000 3/29106 570.0 1.577 1.577 1.509 0.000 0.000 0.000 3/29106 580.0 1.548 1.548 1.482 0.000 0.000 0.000 3/29106 590.0 1.521 1.521 1.456 0.000 0.000 0.000 3/29106 600.0 1.495 1.495 1.431 0.000 0.000 0.000 3/29106 610.0 1.469 1.469 1.407 0.000 0.000 0.000 3/29106 620.0 1.445 1.445 1.384 0.000 0.000 0.000 3/29106 630.0 1.421 1.421 1.361 0.000 0.000 0.000 3/29106 640.0 1.398 1.398 1.339 0.000 0.000 0.000 3/29106 650.0 1.376 1.376 1.318 0.000 0.000 0.000 3/29106 660.0 1.355 1.355 1.298 0.000 0.000 0.000 3/29106 670.0 1.334 1.334 1.278 0.000 0.000 0.000 3/29106 680.0 1.314 1.314 1.259 0.000 0.000 0.000 3/29106 690.0 1.294 1.294 1.240 0.000 0.000 0.000 3/29106 700.0 1.275 1.275 1.222 0.000 0.000 0.000 3/29106 710.0 1.257 1.257 1.204 0.000 0.000 0.000 3/29106 720.0 1.239 1.239 1.187 0.000 0.000 0.000 3/29106 730.0 1.221 1.221 1.171 0.000 0.000 0.000 3/29106 740.0 1.205 1.205 1.155 0.000 0.000 0.000 3/29106 750.0 1.188 1.188 1.139 0.000 0.000 0.000 3/29106 760.0 1.172 1.172 1.124 0.000 0.000 0.000 3/29106 770.0 1.157 1.157 1.109 0.000 0.000 0.000 3/29106 780.0 1.141 1.141 1.094 0.000 0.000 0.000 3/29106 790.0 1.127 1.127 1.080 0.000 0.000 0.000 3/29106 800.0 1.112 1.112 1.066 0.000 0.000 0.000 3/29106 810.0 1.098 1.098 1.053 0.000 0.000 0.000 3/29106 820.0 1.085 1.085 1.040 0.000 0.000 0.000 3/29106 830.0 1.071 1.071 1.027 0.000 0.000 0.000 3/29106 840.0 1.058 1.058 1.015 0.000 0.000 0.000 3/29106 850.0 1.046 1.046 1.003 0.000 0.000 0.000 3/29106 860.0 1.033 1.033 0.991 0.000 0.000 0.000 3/29106 870.0 1.021 1.021 0.979 0.000 0.000 0.000 3/29106 880.0 1.009 1.009 0.968 0.000 0.000 0.000 3/29106 890.0 0.998 0.998 0.957 0.000 0.000 0.000 3/29106 900.0 0.987 0.987 0.946 0.000 0.000 0.000 3/29106 910.0 0.976 0.976 0.936 0.000 0.000 0.000 3/29106 920.0 0.965 0.965 0.925 0.000 0.000 0.000 3/29106 930.0 0.954 0.954 0.915 0.000 0.000 0.000 3/29106 940.0 0.944 0.944 0.906 0.000 0.000 0.000 3/29106 950.0 0.934 0.934 0.896 0.000 0.000 0.000 3/29106 960.0 0.924 0.924 0.886 0.000 0.000 0.000 3/29106 970.0 0.914 0.914 0.877 0.000 0.000 0.000 3/29106 980.0 0.905 0.905 0.868 0.000 0.000 0.000 3/29106 990.0 0.896 0.896 0.859 0.000 0.000 0.000 3/29106 1000.0 0.887 0.887 0.851 0.000 0.000 0.000 3/29106 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|