----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:38:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.477887190000000 3.477887190000000 3.108187260000000 b 3.477887190000000 -3.477887190000000 3.108187260000000 c 3.477887190000000 3.477887190000000 -3.108187260000000 Atomic positions (fractional): *1 Tm 0.75000000000000 0.25000000000000 0.50000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 *3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 *5 O 0.67912393033150 0.49590407026272 0.81678013993122 15.999 6 O 0.13765620959972 0.32087606966850 0.81678013993122 15.999 7 O 0.50409592973728 0.32087606966850 0.18321986006878 15.999 8 O 0.67912393033150 0.86234379040028 0.18321986006878 15.999 9 O 0.07087606966850 0.38765620959972 0.31678013993122 15.999 10 O 0.24590407026272 0.92912393033150 0.31678013993122 15.999 11 O 0.61234379040028 0.92912393033150 0.68321986006878 15.999 12 O 0.07087606966850 0.75409592973728 0.68321986006878 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.955774379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.955774379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.216374520000000 Atomic positions (fractional): *1 Tm 0.50000000000000 0.00000000000000 0.75000000000000 168.934 > 1 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 2 3 Tm 0.00000000000000 0.50000000000000 0.25000000000000 168.934 > 1 4 Tm 0.50000000000000 0.50000000000000 0.50000000000000 168.934 > 2 *5 As 0.00000000000000 0.00000000000000 0.50000000000000 74.922 > 3 6 As 0.00000000000000 0.50000000000000 0.75000000000000 74.922 > 4 7 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 8 As 0.50000000000000 0.00000000000000 0.25000000000000 74.922 > 4 *9 O 0.31678013993122 0.50000000000000 0.17912393033150 15.999 > 5 10 O 0.50000000000000 0.31678013993122 0.82087606966850 15.999 > 6 11 O 0.00000000000000 0.18321986006878 0.32087606966850 15.999 > 7 12 O 0.18321986006878 0.00000000000000 0.67912393033150 15.999 > 8 13 O 0.81678013993122 0.50000000000000 0.57087606966850 15.999 > 9 14 O 0.00000000000000 0.31678013993122 0.92912393033150 15.999 > 10 15 O 0.00000000000000 0.68321986006878 0.92912393033150 15.999 > 11 16 O 0.18321986006878 0.50000000000000 0.57087606966850 15.999 > 12 17 O 0.81678013993122 0.00000000000000 0.67912393033150 15.999 > 5 18 O 0.00000000000000 0.81678013993122 0.32087606966850 15.999 > 6 19 O 0.50000000000000 0.68321986006878 0.82087606966850 15.999 > 7 20 O 0.68321986006878 0.50000000000000 0.17912393033150 15.999 > 8 21 O 0.31678013993122 0.00000000000000 0.07087606966850 15.999 > 9 22 O 0.50000000000000 0.81678013993122 0.42912393033150 15.999 > 10 23 O 0.50000000000000 0.18321986006878 0.42912393033150 15.999 > 11 24 O 0.68321986006878 0.00000000000000 0.07087606966850 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.955774379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.955774379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.432749039999999 Atomic positions (fractional): *1 Tm 0.50000000000000 0.00000000000000 0.37500000000000 168.934 > 1 2 Tm 0.50000000000000 0.00000000000000 0.87500000000000 168.934 > 1 3 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 2 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 2 5 Tm 0.00000000000000 0.50000000000000 0.12500000000000 168.934 > 1 6 Tm 0.00000000000000 0.50000000000000 0.62500000000000 168.934 > 1 7 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 2 8 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 2 *9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 3 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 3 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 4 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 4 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 3 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 3 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 4 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 4 *17 O 0.31678013993122 0.50000000000000 0.08956196516575 15.999 > 5 18 O 0.31678013993122 0.50000000000000 0.58956196516575 15.999 > 5 19 O 0.50000000000000 0.31678013993122 0.41043803483425 15.999 > 6 20 O 0.50000000000000 0.31678013993122 0.91043803483425 15.999 > 6 21 O 0.00000000000000 0.18321986006878 0.16043803483425 15.999 > 7 22 O 0.00000000000000 0.18321986006878 0.66043803483425 15.999 > 7 23 O 0.18321986006878 0.00000000000000 0.33956196516575 15.999 > 8 24 O 0.18321986006878 0.00000000000000 0.83956196516575 15.999 > 8 25 O 0.81678013993122 0.50000000000000 0.28543803483425 15.999 > 9 26 O 0.81678013993122 0.50000000000000 0.78543803483425 15.999 > 9 27 O 0.00000000000000 0.31678013993122 0.46456196516575 15.999 > 10 28 O 0.00000000000000 0.31678013993122 0.96456196516575 15.999 > 10 29 O 0.00000000000000 0.68321986006878 0.46456196516575 15.999 > 11 30 O 0.00000000000000 0.68321986006878 0.96456196516575 15.999 > 11 31 O 0.18321986006878 0.50000000000000 0.28543803483425 15.999 > 12 32 O 0.18321986006878 0.50000000000000 0.78543803483425 15.999 > 12 33 O 0.81678013993122 0.00000000000000 0.33956196516575 15.999 > 5 34 O 0.81678013993122 0.00000000000000 0.83956196516575 15.999 > 5 35 O 0.00000000000000 0.81678013993122 0.16043803483425 15.999 > 6 36 O 0.00000000000000 0.81678013993122 0.66043803483425 15.999 > 6 37 O 0.50000000000000 0.68321986006878 0.41043803483425 15.999 > 7 38 O 0.50000000000000 0.68321986006878 0.91043803483425 15.999 > 7 39 O 0.68321986006878 0.50000000000000 0.08956196516575 15.999 > 8 40 O 0.68321986006878 0.50000000000000 0.58956196516575 15.999 > 8 41 O 0.31678013993122 0.00000000000000 0.03543803483425 15.999 > 9 42 O 0.31678013993122 0.00000000000000 0.53543803483425 15.999 > 9 43 O 0.50000000000000 0.81678013993122 0.21456196516575 15.999 > 10 44 O 0.50000000000000 0.81678013993122 0.71456196516575 15.999 > 10 45 O 0.50000000000000 0.18321986006878 0.21456196516575 15.999 > 11 46 O 0.50000000000000 0.18321986006878 0.71456196516575 15.999 > 11 47 O 0.68321986006878 0.00000000000000 0.03543803483425 15.999 > 12 48 O 0.68321986006878 0.00000000000000 0.53543803483425 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4511794 0.0000000 0.0000000 0.0000000 3.4511794 0.0000000 0.0000000 0.0000000 3.9556733 -------------------------- Born effective charges -------------------------- 1 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 2 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 3 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 4 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 5 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 6 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 7 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 8 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 9 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 10 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 11 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 12 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 160 - Time: 0.058 Solver_block: 160 / 160 - Time: 0.034 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.094 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 3276/3276 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 217 Number of blocks in projector: 225 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 5 --- Eigsh_solver_block: 1 / 5 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 2 / 5 --- Block_size: 64 Use standard eigh solver. --- Eigsh_solver_block: 3 / 5 --- Block_size: 51 Use standard eigh solver. --- Eigsh_solver_block: 4 / 5 --- Block_size: 6 Use standard eigh solver. --- Eigsh_solver_block: 5 / 5 --- Block_size: 6 Use standard eigh solver. Tree of FC basis block matrices: - (217, 208), data: False |-- (6, 6), data: True |-- (6, 6), data: True |-- (51, 48), data: True |-- (64, 62), data: True |-- (90, 86), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:38:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.477887190000000 3.477887190000000 3.108187260000000 b 3.477887190000000 -3.477887190000000 3.108187260000000 c 3.477887190000000 3.477887190000000 -3.108187260000000 Atomic positions (fractional): 1 Tm 0.75000000000000 0.25000000000000 0.50000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.67912393033150 0.49590407026272 0.81678013993122 15.999 6 O 0.13765620959972 0.32087606966850 0.81678013993122 15.999 7 O 0.50409592973728 0.32087606966850 0.18321986006878 15.999 8 O 0.67912393033150 0.86234379040028 0.18321986006878 15.999 9 O 0.07087606966850 0.38765620959972 0.31678013993122 15.999 10 O 0.24590407026272 0.92912393033150 0.31678013993122 15.999 11 O 0.61234379040028 0.92912393033150 0.68321986006878 15.999 12 O 0.07087606966850 0.75409592973728 0.68321986006878 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.955774379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.955774379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.432749039999999 Atomic positions (fractional): 1 Tm 0.50000000000000 0.00000000000000 0.37500000000000 168.934 > 1 2 Tm 0.50000000000000 0.00000000000000 0.87500000000000 168.934 > 1 3 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 3 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 3 5 Tm 0.00000000000000 0.50000000000000 0.12500000000000 168.934 > 1 6 Tm 0.00000000000000 0.50000000000000 0.62500000000000 168.934 > 1 7 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 3 8 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.31678013993122 0.50000000000000 0.08956196516575 15.999 > 17 18 O 0.31678013993122 0.50000000000000 0.58956196516575 15.999 > 17 19 O 0.50000000000000 0.31678013993122 0.41043803483425 15.999 > 19 20 O 0.50000000000000 0.31678013993122 0.91043803483425 15.999 > 19 21 O 0.00000000000000 0.18321986006878 0.16043803483425 15.999 > 21 22 O 0.00000000000000 0.18321986006878 0.66043803483425 15.999 > 21 23 O 0.18321986006878 0.00000000000000 0.33956196516575 15.999 > 23 24 O 0.18321986006878 0.00000000000000 0.83956196516575 15.999 > 23 25 O 0.81678013993122 0.50000000000000 0.28543803483425 15.999 > 25 26 O 0.81678013993122 0.50000000000000 0.78543803483425 15.999 > 25 27 O 0.00000000000000 0.31678013993122 0.46456196516575 15.999 > 27 28 O 0.00000000000000 0.31678013993122 0.96456196516575 15.999 > 27 29 O 0.00000000000000 0.68321986006878 0.46456196516575 15.999 > 29 30 O 0.00000000000000 0.68321986006878 0.96456196516575 15.999 > 29 31 O 0.18321986006878 0.50000000000000 0.28543803483425 15.999 > 31 32 O 0.18321986006878 0.50000000000000 0.78543803483425 15.999 > 31 33 O 0.81678013993122 0.00000000000000 0.33956196516575 15.999 > 17 34 O 0.81678013993122 0.00000000000000 0.83956196516575 15.999 > 17 35 O 0.00000000000000 0.81678013993122 0.16043803483425 15.999 > 19 36 O 0.00000000000000 0.81678013993122 0.66043803483425 15.999 > 19 37 O 0.50000000000000 0.68321986006878 0.41043803483425 15.999 > 21 38 O 0.50000000000000 0.68321986006878 0.91043803483425 15.999 > 21 39 O 0.68321986006878 0.50000000000000 0.08956196516575 15.999 > 23 40 O 0.68321986006878 0.50000000000000 0.58956196516575 15.999 > 23 41 O 0.31678013993122 0.00000000000000 0.03543803483425 15.999 > 25 42 O 0.31678013993122 0.00000000000000 0.53543803483425 15.999 > 25 43 O 0.50000000000000 0.81678013993122 0.21456196516575 15.999 > 27 44 O 0.50000000000000 0.81678013993122 0.71456196516575 15.999 > 27 45 O 0.50000000000000 0.18321986006878 0.21456196516575 15.999 > 29 46 O 0.50000000000000 0.18321986006878 0.71456196516575 15.999 > 29 47 O 0.68321986006878 0.00000000000000 0.03543803483425 15.999 > 31 48 O 0.68321986006878 0.00000000000000 0.53543803483425 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4511794 0.0000000 0.0000000 0.0000000 3.4511794 0.0000000 0.0000000 0.0000000 3.9556733 -------------------------- Born effective charges -------------------------- 1 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 2 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 3 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 4 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 5 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 6 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 7 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 8 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 9 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 10 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 11 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 12 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, 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: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (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 2026-01-09 02:38:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:38:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4_1/amd (141) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -3.477887190000000 3.477887190000000 3.108187260000000 b 3.477887190000000 -3.477887190000000 3.108187260000000 c 3.477887190000000 3.477887190000000 -3.108187260000000 Atomic positions (fractional): 1 Tm 0.75000000000000 0.25000000000000 0.50000000000000 168.934 2 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 3 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 4 As 0.25000000000000 0.75000000000000 0.50000000000000 74.922 5 O 0.67912393033150 0.49590407026272 0.81678013993122 15.999 6 O 0.13765620959972 0.32087606966850 0.81678013993122 15.999 7 O 0.50409592973728 0.32087606966850 0.18321986006878 15.999 8 O 0.67912393033150 0.86234379040028 0.18321986006878 15.999 9 O 0.07087606966850 0.38765620959972 0.31678013993122 15.999 10 O 0.24590407026272 0.92912393033150 0.31678013993122 15.999 11 O 0.61234379040028 0.92912393033150 0.68321986006878 15.999 12 O 0.07087606966850 0.75409592973728 0.68321986006878 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.955774379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.955774379999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.432749039999999 Atomic positions (fractional): 1 Tm 0.50000000000000 0.00000000000000 0.37500000000000 168.934 > 1 2 Tm 0.50000000000000 0.00000000000000 0.87500000000000 168.934 > 1 3 Tm 0.00000000000000 0.00000000000000 0.00000000000000 168.934 > 3 4 Tm 0.00000000000000 0.00000000000000 0.50000000000000 168.934 > 3 5 Tm 0.00000000000000 0.50000000000000 0.12500000000000 168.934 > 1 6 Tm 0.00000000000000 0.50000000000000 0.62500000000000 168.934 > 1 7 Tm 0.50000000000000 0.50000000000000 0.25000000000000 168.934 > 3 8 Tm 0.50000000000000 0.50000000000000 0.75000000000000 168.934 > 3 9 As 0.00000000000000 0.00000000000000 0.25000000000000 74.922 > 9 10 As 0.00000000000000 0.00000000000000 0.75000000000000 74.922 > 9 11 As 0.00000000000000 0.50000000000000 0.37500000000000 74.922 > 11 12 As 0.00000000000000 0.50000000000000 0.87500000000000 74.922 > 11 13 As 0.50000000000000 0.50000000000000 0.00000000000000 74.922 > 9 14 As 0.50000000000000 0.50000000000000 0.50000000000000 74.922 > 9 15 As 0.50000000000000 0.00000000000000 0.12500000000000 74.922 > 11 16 As 0.50000000000000 0.00000000000000 0.62500000000000 74.922 > 11 17 O 0.31678013993122 0.50000000000000 0.08956196516575 15.999 > 17 18 O 0.31678013993122 0.50000000000000 0.58956196516575 15.999 > 17 19 O 0.50000000000000 0.31678013993122 0.41043803483425 15.999 > 19 20 O 0.50000000000000 0.31678013993122 0.91043803483425 15.999 > 19 21 O 0.00000000000000 0.18321986006878 0.16043803483425 15.999 > 21 22 O 0.00000000000000 0.18321986006878 0.66043803483425 15.999 > 21 23 O 0.18321986006878 0.00000000000000 0.33956196516575 15.999 > 23 24 O 0.18321986006878 0.00000000000000 0.83956196516575 15.999 > 23 25 O 0.81678013993122 0.50000000000000 0.28543803483425 15.999 > 25 26 O 0.81678013993122 0.50000000000000 0.78543803483425 15.999 > 25 27 O 0.00000000000000 0.31678013993122 0.46456196516575 15.999 > 27 28 O 0.00000000000000 0.31678013993122 0.96456196516575 15.999 > 27 29 O 0.00000000000000 0.68321986006878 0.46456196516575 15.999 > 29 30 O 0.00000000000000 0.68321986006878 0.96456196516575 15.999 > 29 31 O 0.18321986006878 0.50000000000000 0.28543803483425 15.999 > 31 32 O 0.18321986006878 0.50000000000000 0.78543803483425 15.999 > 31 33 O 0.81678013993122 0.00000000000000 0.33956196516575 15.999 > 17 34 O 0.81678013993122 0.00000000000000 0.83956196516575 15.999 > 17 35 O 0.00000000000000 0.81678013993122 0.16043803483425 15.999 > 19 36 O 0.00000000000000 0.81678013993122 0.66043803483425 15.999 > 19 37 O 0.50000000000000 0.68321986006878 0.41043803483425 15.999 > 21 38 O 0.50000000000000 0.68321986006878 0.91043803483425 15.999 > 21 39 O 0.68321986006878 0.50000000000000 0.08956196516575 15.999 > 23 40 O 0.68321986006878 0.50000000000000 0.58956196516575 15.999 > 23 41 O 0.31678013993122 0.00000000000000 0.03543803483425 15.999 > 25 42 O 0.31678013993122 0.00000000000000 0.53543803483425 15.999 > 25 43 O 0.50000000000000 0.81678013993122 0.21456196516575 15.999 > 27 44 O 0.50000000000000 0.81678013993122 0.71456196516575 15.999 > 27 45 O 0.50000000000000 0.18321986006878 0.21456196516575 15.999 > 29 46 O 0.50000000000000 0.18321986006878 0.71456196516575 15.999 > 29 47 O 0.68321986006878 0.00000000000000 0.03543803483425 15.999 > 31 48 O 0.68321986006878 0.00000000000000 0.53543803483425 15.999 > 31 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4511794 0.0000000 0.0000000 0.0000000 3.4511794 0.0000000 0.0000000 0.0000000 3.9556733 -------------------------- Born effective charges -------------------------- 1 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 2 Tm 3.9595184 0.0000000 0.0000000 0.0000000 3.9595184 0.0000000 0.0000000 0.0000000 4.1494512 3 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 4 As 3.3126676 0.0000000 0.0000000 0.0000000 3.3126676 0.0000000 0.0000000 0.0000000 4.1754095 5 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 6 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 7 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 8 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 9 O -2.5788495 0.0000000 -0.4944627 0.0000000 -1.0572435 0.0000000 -0.4033812 0.0000000 -2.0812152 10 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 0.4944627 0.0000000 0.4033812 -2.0812152 11 O -1.0572435 0.0000000 0.0000000 0.0000000 -2.5788495 -0.4944627 0.0000000 -0.4033812 -2.0812152 12 O -2.5788495 0.0000000 0.4944627 0.0000000 -1.0572435 0.0000000 0.4033812 0.0000000 -2.0812152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xzx) 0.00000004 (xzx) 0.00000004 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 7 112 ] Grid generation matrix: [ 0 7 7 ] [ 7 0 7 ] [ 8 8 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.78, Number of G-points: 297, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= 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 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 -0.000 -0.000) 0.000 3.351 ( -0.000 0.000 -0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.864 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 -0.000) 0.000 5.443 ( 0.000 -0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 -0.000 -0.000) 0.000 6.371 ( 0.000 -0.000 -0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 7.340 ( -0.000 0.000 0.000) 0.000 7.340 ( 0.000 0.000 0.000) 0.000 7.383 ( 0.000 0.000 -0.000) 0.000 8.937 ( 0.000 -0.000 0.000) 0.000 8.937 ( 0.000 -0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 -0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 11.773 ( -0.000 -0.000 0.000) 0.000 12.536 ( -0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 13.063 ( -0.000 0.000 0.000) 0.000 14.434 ( 0.000 -0.000 0.000) 0.000 14.727 ( -0.000 0.000 -0.000) 0.000 22.567 ( -0.000 0.000 0.000) 0.000 22.567 ( -0.000 0.000 0.000) 0.000 23.608 ( 0.000 0.000 0.000) 0.000 23.608 ( 0.000 0.000 0.000) 0.000 24.503 ( 0.000 -0.000 0.000) 0.000 25.306 ( -0.000 0.000 0.000) 0.000 25.395 ( -0.000 -0.000 0.000) 0.000 25.840 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 22.922 22.922 0.000) 32.417 1.167 ( 27.977 27.977 0.000) 39.566 1.328 ( 31.612 31.612 0.000) 44.707 2.943 ( 12.056 12.056 0.000) 17.049 3.513 ( 7.464 7.464 0.000) 10.556 3.523 ( 7.997 7.997 0.000) 11.309 3.795 ( -3.367 -3.367 0.000) 4.761 4.712 ( 1.778 1.778 0.000) 2.514 4.731 ( 2.760 2.760 0.000) 3.903 5.369 ( -3.647 -3.647 0.000) 5.158 5.916 ( -1.276 -1.276 0.000) 1.804 6.251 ( -6.233 -6.233 0.000) 8.815 6.621 ( 5.265 5.265 0.000) 7.446 6.850 ( 0.505 0.505 0.000) 0.714 7.278 ( -2.740 -2.740 0.000) 3.875 7.331 ( -0.194 -0.194 0.000) 0.274 7.335 ( -2.185 -2.185 0.000) 3.090 8.837 ( -5.120 -5.120 0.000) 7.241 8.907 ( -4.985 -4.985 0.000) 7.049 9.728 ( -6.375 -6.375 0.000) 9.015 9.732 ( 2.993 2.993 0.000) 4.232 11.435 ( 2.512 2.512 0.000) 3.552 11.992 ( 9.713 9.713 0.000) 13.737 12.120 ( -14.604 -14.604 0.000) 20.654 12.487 ( -2.348 -2.348 0.000) 3.320 13.392 ( 10.526 10.526 0.000) 14.886 14.352 ( -4.019 -4.019 0.000) 5.684 14.684 ( -2.050 -2.050 0.000) 2.899 22.559 ( -0.294 -0.294 0.000) 0.415 23.401 ( -8.143 -8.143 0.000) 11.516 23.716 ( 5.191 5.191 0.000) 7.341 24.690 ( 7.226 7.226 0.000) 10.219 25.317 ( 0.485 0.485 0.000) 0.686 25.396 ( 0.146 0.146 0.000) 0.206 25.698 ( -5.869 -5.869 0.000) 8.300 25.881 ( -1.329 -1.329 0.000) 1.880 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 19.391 19.391 0.000) 27.423 2.265 ( 24.712 24.712 0.000) 34.948 2.564 ( 28.130 28.130 0.000) 39.782 3.539 ( 15.669 15.669 0.000) 22.160 3.593 ( -6.162 -6.162 0.000) 8.715 3.883 ( 8.487 8.487 0.000) 12.003 3.951 ( 11.686 11.686 0.000) 16.526 4.752 ( -0.526 -0.526 0.000) 0.743 4.857 ( 3.543 3.543 0.000) 5.010 5.137 ( -7.755 -7.755 0.000) 10.967 5.807 ( -4.378 -4.378 0.000) 6.191 5.877 ( -11.561 -11.561 0.000) 16.350 6.898 ( 2.007 2.007 0.000) 2.838 6.905 ( 7.565 7.565 0.000) 10.698 7.163 ( -2.063 -2.063 0.000) 2.918 7.224 ( -2.927 -2.927 0.000) 4.140 7.363 ( 2.407 2.407 0.000) 3.404 8.512 ( -10.420 -10.420 0.000) 14.737 8.677 ( -5.111 -5.111 0.000) 7.229 9.365 ( -10.767 -10.767 0.000) 15.227 9.944 ( 7.400 7.400 0.000) 10.465 11.488 ( -15.634 -15.634 0.000) 22.110 11.605 ( 5.513 5.513 0.000) 7.796 12.347 ( -4.443 -4.443 0.000) 6.284 12.497 ( 14.121 14.121 0.000) 19.970 13.795 ( 8.847 8.847 0.000) 12.511 14.098 ( -8.400 -8.400 0.000) 11.879 14.562 ( -3.868 -3.868 0.000) 5.470 22.557 ( 0.408 0.408 0.000) 0.578 23.054 ( -8.043 -8.043 0.000) 11.374 24.020 ( 9.359 9.359 0.000) 13.236 24.987 ( 6.583 6.583 0.000) 9.310 25.334 ( 0.157 0.157 0.000) 0.222 25.380 ( -9.452 -9.452 0.000) 13.367 25.419 ( 1.104 1.104 0.000) 1.561 25.782 ( -3.300 -3.300 0.000) 4.667 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 14.500 14.500 0.000) 20.506 2.949 ( 0.455 0.455 0.000) 0.643 3.490 ( 8.489 8.489 0.000) 12.005 3.594 ( 21.301 21.301 0.000) 30.124 3.949 ( -6.913 -6.913 0.000) 9.777 4.173 ( 14.784 14.784 0.000) 20.908 4.206 ( -5.489 -5.489 0.000) 7.763 4.730 ( -11.968 -11.968 0.000) 16.926 4.811 ( 8.621 8.621 0.000) 12.192 5.123 ( 9.788 9.788 0.000) 13.843 5.338 ( -14.120 -14.120 0.000) 19.968 5.535 ( -8.866 -8.866 0.000) 12.538 7.003 ( 2.704 2.704 0.000) 3.823 7.110 ( -2.610 -2.610 0.000) 3.691 7.139 ( 2.698 2.698 0.000) 3.816 7.146 ( 0.888 0.888 0.000) 1.256 7.581 ( 8.532 8.532 0.000) 12.066 8.029 ( -12.293 -12.293 0.000) 17.385 8.603 ( 2.788 2.788 0.000) 3.942 8.904 ( -10.622 -10.622 0.000) 15.022 10.333 ( 11.415 11.415 0.000) 16.144 10.866 ( -14.311 -14.311 0.000) 20.239 11.862 ( 6.670 6.670 0.000) 9.433 12.128 ( -6.076 -6.076 0.000) 8.593 13.101 ( 14.731 14.731 0.000) 20.832 13.667 ( -12.435 -12.435 0.000) 17.586 14.118 ( 6.944 6.944 0.000) 9.820 14.371 ( -5.403 -5.403 0.000) 7.640 22.612 ( 2.481 2.481 0.000) 3.509 22.773 ( -5.430 -5.430 0.000) 7.680 24.458 ( 11.609 11.609 0.000) 16.417 24.942 ( -11.561 -11.561 0.000) 16.350 25.205 ( 3.955 3.955 0.000) 5.593 25.313 ( -1.400 -1.400 0.000) 1.980 25.496 ( 2.679 2.679 0.000) 3.789 25.631 ( -3.733 -3.733 0.000) 5.280 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.13 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -0.000 8.617 25.903) 27.299 1.117 ( 0.000 31.376 22.886) 38.836 1.752 ( 0.000 30.929 52.238) 60.708 2.874 ( 0.000 11.712 5.934) 13.129 3.383 ( 0.000 4.812 -1.661) 5.091 3.456 ( 0.000 11.431 -1.511) 11.530 3.950 ( -0.000 -3.494 10.072) 10.661 4.504 ( 0.000 2.264 -15.403) 15.568 4.558 ( 0.000 5.082 -11.712) 12.767 5.564 ( -0.000 -0.413 9.507) 9.516 5.730 ( 0.000 8.080 -11.860) 14.351 5.954 ( -0.000 -1.151 2.524) 2.774 6.458 ( 0.000 5.326 2.860) 6.045 7.223 ( -0.000 -4.839 -8.170) 9.496 7.276 ( -0.000 -5.488 -0.772) 5.542 7.369 ( -0.000 1.045 2.238) 2.470 7.965 ( -0.000 -30.571 31.860) 44.155 8.923 ( -0.000 -2.383 0.838) 2.526 8.937 ( -0.000 -7.870 0.466) 7.884 9.722 ( -0.000 -5.485 -1.676) 5.735 9.800 ( -0.000 0.027 5.366) 5.366 10.525 ( 0.000 36.967 -32.843) 49.449 11.846 ( 0.000 7.749 -1.234) 7.846 12.393 ( -0.000 -10.348 -3.046) 10.787 12.490 ( 0.000 0.964 -5.373) 5.459 14.034 ( 0.000 -3.242 -21.858) 22.097 14.376 ( -0.000 -40.848 48.896) 63.714 15.052 ( -0.000 -2.606 20.753) 20.916 22.581 ( -0.000 -0.382 1.621) 1.666 23.376 ( 0.000 28.317 -30.840) 41.869 23.599 ( 0.000 12.611 -13.810) 18.702 23.603 ( 0.000 0.689 -1.130) 1.324 25.129 ( 0.000 0.088 -10.957) 10.957 25.509 ( -0.000 -1.391 5.996) 6.156 25.759 ( 0.000 0.293 -7.099) 7.105 26.625 ( -0.000 -22.001 27.814) 35.464 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.13 -0.01 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 34.240 12.085 9.732) 37.592 1.844 ( 16.557 22.021 22.326) 35.461 2.618 ( 5.038 40.961 26.996) 49.315 3.281 ( 9.967 15.398 1.508) 18.404 3.644 ( 10.059 9.203 -0.558) 13.645 3.785 ( -1.606 1.456 3.898) 4.460 3.814 ( -0.028 9.670 2.382) 9.959 4.628 ( 3.198 3.435 -10.488) 11.490 4.643 ( 2.543 1.353 -9.951) 10.360 5.399 ( -10.333 -3.912 5.004) 12.129 5.807 ( 0.715 -5.933 -11.786) 13.215 5.900 ( -1.894 -2.597 1.939) 3.754 6.668 ( 4.854 8.955 0.001) 10.186 7.094 ( 2.694 -5.569 4.390) 7.586 7.199 ( -1.252 -1.925 -6.213) 6.624 7.317 ( -6.513 1.420 5.739) 8.796 7.565 ( -1.303 -6.782 20.918) 22.028 8.668 ( -4.030 -12.051 1.188) 12.762 8.802 ( -4.778 -5.656 0.698) 7.437 9.488 ( -5.417 -11.210 -4.574) 13.264 9.875 ( 5.178 2.504 7.499) 9.451 11.067 ( 1.424 11.450 -25.020) 27.553 12.016 ( -2.930 -15.570 9.382) 18.413 12.173 ( 8.357 11.015 -6.444) 15.255 12.438 ( -6.927 1.387 -4.335) 8.289 13.878 ( -0.198 -7.066 -6.156) 9.374 14.002 ( -2.209 1.414 13.655) 13.904 14.935 ( -3.565 -4.993 19.881) 20.806 22.566 ( -0.213 -0.385 1.260) 1.335 23.225 ( -8.656 -8.079 -0.220) 11.843 23.782 ( 11.536 2.368 -1.624) 11.888 24.257 ( 8.092 17.859 -36.457) 41.395 25.141 ( 1.714 -0.577 -9.257) 9.432 25.477 ( 2.673 -4.109 6.339) 8.013 25.727 ( -1.361 -2.565 -3.834) 4.809 26.186 ( -12.457 -5.383 25.527) 28.910 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.13 -0.01 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 21.191 16.143 5.850) 27.274 2.669 ( 30.387 9.892 15.055) 35.326 3.411 ( -0.023 8.108 13.746) 15.959 3.598 ( -1.830 16.629 4.413) 17.302 3.848 ( 15.280 12.218 0.637) 19.575 4.002 ( 2.036 1.076 1.021) 2.519 4.163 ( 6.109 8.448 -1.359) 10.513 4.656 ( 3.400 -0.168 -0.803) 3.498 4.820 ( 3.719 4.824 -12.936) 14.298 5.013 ( -13.222 -7.891 -3.110) 15.708 5.561 ( -7.000 -8.816 -0.659) 11.276 5.744 ( -6.686 -4.165 3.649) 8.681 6.944 ( 4.518 6.681 -0.748) 8.100 7.101 ( 2.362 -2.237 -0.051) 3.254 7.155 ( -0.071 -0.217 1.683) 1.699 7.252 ( -3.861 4.449 7.709) 9.702 7.551 ( 2.675 3.783 8.854) 9.993 8.283 ( -9.888 -11.488 1.264) 15.210 8.593 ( -1.923 -4.036 0.081) 4.471 9.083 ( -8.583 -12.774 -2.408) 15.577 10.122 ( 11.422 4.824 4.312) 13.127 11.002 ( -6.486 -11.680 -7.648) 15.394 11.820 ( 1.216 2.036 1.498) 2.805 12.271 ( -9.904 0.747 -2.769) 10.311 12.688 ( 12.918 13.575 -9.074) 20.820 13.641 ( -6.308 -9.766 -16.601) 20.268 14.159 ( 5.114 7.334 15.107) 17.554 14.714 ( -5.973 -6.629 17.634) 19.763 22.577 ( 1.294 0.900 0.604) 1.688 22.899 ( -7.010 -6.898 0.037) 9.835 24.114 ( 15.463 1.439 -4.112) 16.065 24.595 ( 3.255 4.330 -23.179) 23.803 25.170 ( 2.968 -1.524 -6.449) 7.261 25.449 ( 3.033 -4.417 5.514) 7.689 25.609 ( -3.483 -2.893 -1.037) 4.645 25.901 ( -14.769 5.201 16.612) 22.828 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.13 -0.01 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 0.565 -0.565 8.298) 8.336 2.955 ( -0.921 0.921 9.419) 9.509 3.564 ( 13.395 -13.395 3.851) 19.330 3.644 ( 8.731 -8.731 4.020) 12.985 4.106 ( -2.100 2.100 2.208) 3.700 4.162 ( -4.376 4.376 10.133) 11.873 4.446 ( -1.857 1.857 -3.631) 4.482 4.486 ( -3.065 3.065 -0.643) 4.382 4.879 ( -1.287 1.288 -14.804) 14.916 4.891 ( -2.156 2.156 -10.914) 11.331 5.383 ( 2.007 -2.007 4.919) 5.679 5.542 ( -5.407 5.407 9.278) 12.023 7.063 ( 1.299 -1.299 0.696) 1.965 7.084 ( 0.598 -0.598 0.995) 1.306 7.163 ( 0.659 -0.659 1.771) 2.001 7.294 ( -5.299 5.299 7.702) 10.746 7.782 ( 0.729 -0.729 0.064) 1.033 7.879 ( -3.921 3.921 4.498) 7.140 8.647 ( 3.737 -3.737 -2.290) 5.760 8.723 ( 0.028 -0.028 1.213) 1.214 10.473 ( 6.511 -6.511 -1.755) 9.374 10.602 ( 1.953 -1.953 3.646) 4.574 11.938 ( -0.741 0.741 -6.659) 6.741 12.117 ( -7.548 7.548 1.166) 10.739 13.161 ( 3.784 -3.784 -14.607) 15.556 13.283 ( -2.052 2.052 -11.121) 11.493 14.435 ( -0.091 0.091 13.748) 13.749 14.438 ( -0.276 0.276 16.097) 16.101 22.672 ( 0.318 -0.318 -0.185) 0.486 22.679 ( 0.049 -0.049 0.429) 0.435 24.348 ( 9.722 -9.722 -13.036) 18.947 24.625 ( 1.449 -1.449 -6.380) 6.702 25.188 ( 2.764 -2.764 -4.244) 5.770 25.429 ( -2.814 2.814 -0.391) 3.998 25.535 ( 2.351 -2.351 0.185) 3.330 25.802 ( -11.323 11.323 13.297) 20.814 ======================= Grid point 15 (9/90) ======================= q-point: ( 0.27 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -0.000 7.946 23.351) 24.666 2.184 ( 0.000 26.683 22.972) 35.209 3.171 ( 0.000 6.380 -3.018) 7.058 3.276 ( 0.000 24.923 37.083) 44.680 3.555 ( 0.000 13.525 3.456) 13.960 3.744 ( 0.000 16.517 0.947) 16.545 4.010 ( -0.000 -3.813 5.506) 6.697 4.259 ( 0.000 3.326 -12.383) 12.821 4.599 ( 0.000 6.310 4.609) 7.814 5.501 ( -0.000 -11.992 -7.503) 14.146 5.714 ( -0.000 0.125 4.592) 4.594 5.982 ( -0.000 -2.506 3.864) 4.605 6.669 ( 0.000 7.636 3.322) 8.328 6.914 ( 0.000 -0.258 -15.007) 15.009 7.184 ( -0.000 -4.460 2.744) 5.236 7.506 ( 0.000 4.875 6.235) 7.915 7.893 ( -0.000 -12.856 4.571) 13.644 8.733 ( -0.000 -12.250 0.700) 12.270 8.860 ( -0.000 -5.371 0.152) 5.374 9.422 ( -0.000 -10.632 -7.176) 12.827 10.038 ( -0.000 1.490 12.653) 12.740 10.681 ( 0.000 19.277 -9.450) 21.469 11.932 ( 0.000 -1.809 -8.926) 9.108 12.107 ( -0.000 -2.512 1.097) 2.741 12.370 ( 0.000 1.476 -8.692) 8.817 13.550 ( 0.000 -4.879 -17.063) 17.747 14.559 ( -0.000 -12.101 22.567) 25.606 15.343 ( -0.000 -4.478 15.155) 15.802 22.610 ( -0.000 -0.667 2.139) 2.241 23.330 ( 0.000 -0.235 -2.219) 2.232 23.568 ( 0.000 16.545 -19.087) 25.259 23.594 ( 0.000 1.142 -1.542) 1.919 24.924 ( 0.000 0.641 -9.599) 9.620 25.519 ( -0.000 -3.329 -0.146) 3.332 25.640 ( 0.000 0.207 -4.093) 4.098 26.744 ( -0.000 -9.565 15.664) 18.353 ======================= Grid point 16 (10/90) ======================= q-point: ( 0.27 -0.02 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 28.547 8.946 15.573) 33.726 2.717 ( 7.483 17.575 21.649) 28.871 3.384 ( 9.612 4.403 -8.477) 13.551 3.729 ( -2.822 -0.065 2.203) 3.581 3.900 ( 2.681 15.535 4.931) 16.518 3.964 ( 3.421 20.130 14.678) 25.147 4.110 ( 1.316 6.735 9.074) 11.377 4.422 ( 4.712 6.276 -13.639) 15.736 4.678 ( 2.452 -0.005 9.129) 9.453 5.123 ( -7.628 -14.191 -9.210) 18.557 5.676 ( -3.460 -2.417 2.158) 4.740 5.920 ( -2.404 -0.924 4.154) 4.888 6.848 ( 2.069 7.126 -0.593) 7.444 6.936 ( 2.575 -0.325 -10.397) 10.716 7.180 ( 2.214 0.034 2.499) 3.339 7.534 ( -6.253 4.441 7.891) 11.004 7.719 ( 1.415 -2.628 7.684) 8.244 8.452 ( -3.275 -10.226 2.222) 10.965 8.659 ( -4.393 -9.016 -1.479) 10.138 9.151 ( -4.183 -10.624 -3.636) 11.983 10.108 ( 4.147 1.708 10.540) 11.455 10.932 ( -2.387 2.963 -6.117) 7.204 11.738 ( 2.401 -8.651 -6.526) 11.099 12.326 ( 3.541 7.901 -2.945) 9.145 12.354 ( -2.107 4.488 -8.104) 9.500 13.402 ( -2.647 -6.736 -14.970) 16.628 14.460 ( 0.770 1.956 18.229) 18.350 15.182 ( -4.944 -5.909 15.924) 17.690 22.590 ( -0.193 -0.294 1.776) 1.810 23.076 ( -8.305 -8.118 2.115) 11.804 23.731 ( 9.066 1.532 -7.154) 11.650 24.037 ( 9.302 11.347 -17.883) 23.132 24.957 ( 2.482 0.056 -8.110) 8.481 25.464 ( 1.802 -3.792 1.450) 4.442 25.600 ( -1.232 -2.591 -2.647) 3.904 26.521 ( -10.960 0.036 14.111) 17.867 ======================= Grid point 17 (11/90) ======================= q-point: ( 0.27 -0.02 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 27.741 9.563 8.660) 30.595 3.187 ( 10.797 2.805 16.857) 20.214 3.386 ( -1.734 -7.008 0.619) 7.246 3.723 ( 4.758 -11.994 -1.889) 13.041 3.946 ( 4.758 -7.103 -1.998) 8.779 4.297 ( 3.552 9.191 -2.978) 10.294 4.456 ( 2.655 12.844 15.850) 20.573 4.603 ( 0.048 2.938 -11.648) 12.013 4.683 ( -7.296 -5.501 1.241) 9.221 4.831 ( -2.517 8.038 0.709) 8.453 5.490 ( -4.479 -4.739 3.210) 7.269 5.851 ( -6.468 3.819 6.309) 9.809 6.978 ( 3.253 -2.049 -5.715) 6.888 7.006 ( 3.649 1.091 -2.673) 4.653 7.190 ( 0.309 -1.251 0.331) 1.331 7.610 ( -3.712 12.895 9.314) 16.335 7.728 ( 0.564 -0.435 2.756) 2.847 8.155 ( -11.387 -4.309 1.592) 12.278 8.497 ( 5.074 -3.399 0.463) 6.125 8.848 ( -5.915 -6.858 1.772) 9.228 10.283 ( 8.989 0.941 5.100) 10.377 10.732 ( -2.927 -10.575 3.402) 11.488 11.759 ( 0.913 2.926 -9.448) 9.932 12.261 ( -7.111 3.662 -4.515) 9.185 12.694 ( 10.194 4.710 -10.195) 15.167 13.180 ( -5.956 -4.809 -11.380) 13.715 14.617 ( 4.472 6.245 14.092) 16.050 14.925 ( -7.685 -5.211 16.655) 19.068 22.619 ( 2.134 1.654 0.844) 2.829 22.783 ( -5.504 -5.461 1.674) 7.933 23.908 ( 8.689 -3.607 -10.447) 14.058 24.346 ( 7.173 1.112 -11.873) 13.916 25.018 ( 6.220 -3.547 -3.356) 7.907 25.435 ( 0.791 -1.755 0.167) 1.932 25.510 ( -1.673 -1.821 -1.628) 2.961 26.344 ( -14.805 9.680 10.874) 20.764 ======================= Grid point 21 (12/90) ======================= q-point: ( 0.27 -0.02 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -14.429 14.429 22.991) 30.741 1.695 ( -20.045 20.045 20.207) 34.813 2.968 ( -7.800 7.800 42.214) 43.632 3.140 ( -9.172 9.172 14.223) 19.250 3.426 ( -7.357 7.357 -5.538) 11.786 3.523 ( -11.006 11.006 4.414) 16.178 4.025 ( 5.568 -5.568 1.295) 7.980 4.284 ( -2.839 2.839 -11.399) 12.086 4.488 ( -5.775 5.775 5.423) 9.804 5.585 ( 6.144 -6.144 2.210) 8.965 5.737 ( -0.203 0.203 -0.707) 0.763 6.010 ( 1.424 -1.424 4.182) 4.641 6.579 ( -3.830 3.830 4.259) 6.891 6.924 ( -0.651 0.651 -17.453) 17.477 7.328 ( 2.355 -2.355 3.649) 4.941 7.373 ( 1.490 -1.490 3.805) 4.349 8.068 ( 9.259 -9.259 0.381) 13.100 8.864 ( 5.104 -5.104 0.612) 7.244 8.919 ( 3.994 -3.994 -0.677) 5.689 9.541 ( 6.126 -6.126 -8.097) 11.858 10.033 ( -1.855 1.855 12.369) 12.644 10.402 ( -13.499 13.499 -4.802) 19.685 11.883 ( -6.461 6.461 -3.069) 9.639 12.266 ( 3.881 -3.881 -6.516) 8.519 12.296 ( 1.791 -1.791 -8.017) 8.407 13.599 ( 2.355 -2.355 -17.829) 18.137 14.763 ( 14.669 -14.669 20.619) 29.249 15.377 ( 3.203 -3.203 14.498) 15.189 22.609 ( 0.649 -0.649 1.826) 2.044 23.180 ( -18.356 18.356 -15.314) 30.140 23.406 ( 6.285 -6.285 -2.523) 9.239 23.688 ( -5.460 5.460 -0.786) 7.761 24.921 ( -1.061 1.061 -9.968) 10.080 25.593 ( 0.173 -0.173 1.834) 1.851 25.597 ( -0.637 0.637 -8.204) 8.253 26.856 ( 11.386 -11.386 14.945) 21.969 ======================= Grid point 22 (13/90) ======================= q-point: ( 0.40 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -0.000 6.073 18.122) 19.113 3.029 ( 0.000 -0.477 -12.917) 12.926 3.079 ( 0.000 18.151 18.241) 25.734 3.770 ( -0.000 -6.324 -0.751) 6.368 3.921 ( 0.000 9.725 3.901) 10.479 3.998 ( 0.000 15.657 -1.322) 15.713 4.170 ( 0.000 4.269 -5.567) 7.016 4.597 ( -0.000 10.178 26.458) 28.348 4.850 ( -0.000 1.915 6.122) 6.414 5.020 ( -0.000 -14.564 -4.875) 15.359 5.753 ( -0.000 -0.609 0.575) 0.838 6.011 ( -0.000 -0.975 2.698) 2.869 6.673 ( 0.000 1.967 -9.529) 9.730 6.843 ( 0.000 4.160 1.029) 4.286 7.162 ( -0.000 -1.689 -1.989) 2.609 7.680 ( -0.000 -5.001 -3.667) 6.201 7.821 ( 0.000 9.590 8.586) 12.872 8.525 ( -0.000 -8.259 1.831) 8.460 8.651 ( -0.000 -10.826 -4.633) 11.776 9.127 ( -0.000 -5.472 -2.717) 6.109 10.305 ( -0.000 0.755 10.144) 10.172 10.889 ( 0.000 8.961 -0.978) 9.014 11.547 ( -0.000 -9.787 -7.089) 12.085 12.224 ( 0.000 0.997 -7.591) 7.656 12.248 ( 0.000 6.524 0.376) 6.534 13.179 ( 0.000 -4.348 -9.353) 10.315 14.753 ( -0.000 -2.071 10.323) 10.529 15.489 ( -0.000 -3.527 8.230) 8.954 22.634 ( -0.000 -0.562 1.522) 1.623 23.280 ( -0.000 -8.826 6.588) 11.014 23.515 ( 0.000 13.542 -16.696) 21.497 23.588 ( 0.000 0.970 -1.269) 1.597 24.784 ( 0.000 0.482 -5.392) 5.413 25.448 ( -0.000 -1.107 -0.944) 1.455 25.572 ( -0.000 -1.673 -1.426) 2.199 26.850 ( -0.000 -2.461 7.082) 7.498 ======================= Grid point 23 (14/90) ======================= q-point: ( 0.40 -0.03 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 24.947 5.837 13.370) 28.900 3.090 ( 7.387 -0.361 -12.412) 14.448 3.432 ( 5.857 6.684 11.363) 14.426 3.567 ( -1.750 -11.110 -0.856) 11.280 3.964 ( -0.218 -18.762 1.264) 18.806 4.135 ( 1.594 7.687 -5.533) 9.604 4.290 ( 2.950 3.674 -9.106) 10.253 4.738 ( -0.403 -1.486 4.806) 5.047 4.869 ( -1.379 13.086 3.421) 13.596 4.977 ( 1.327 2.847 14.750) 15.081 5.653 ( -5.439 -2.995 1.798) 6.465 6.021 ( -2.149 3.748 1.957) 4.743 6.734 ( 4.077 -0.842 -7.942) 8.967 6.899 ( -0.026 0.843 -3.434) 3.536 7.143 ( 2.023 -2.061 -2.245) 3.657 7.631 ( 0.972 -0.477 -1.420) 1.786 7.943 ( -3.541 4.968 4.706) 7.705 8.370 ( -7.875 -5.940 0.671) 9.887 8.485 ( 2.305 2.377 5.153) 6.126 8.996 ( -3.755 -3.582 2.305) 5.678 10.328 ( 1.262 0.560 7.883) 8.003 10.836 ( -1.356 -9.609 2.461) 10.012 11.556 ( 2.411 5.294 -6.318) 8.589 12.217 ( -2.134 0.907 -7.598) 7.944 12.391 ( 5.056 1.248 -4.539) 6.908 13.085 ( -2.419 -1.764 -5.935) 6.647 14.791 ( 1.389 3.840 8.285) 9.236 15.359 ( -5.763 -2.621 11.131) 12.805 22.621 ( 0.061 0.046 1.383) 1.385 22.984 ( -6.767 -8.104 5.593) 11.947 23.591 ( 2.372 1.332 -9.041) 9.441 23.926 ( 12.631 2.777 -8.388) 15.415 24.823 ( 4.273 -1.270 -4.125) 6.073 25.425 ( 0.324 -1.608 0.225) 1.655 25.525 ( -1.113 -1.239 -0.099) 1.669 26.773 ( -9.691 5.452 5.489) 12.400 ======================= Grid point 24 (15/90) ======================= q-point: (-0.60 -0.03 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 10.631 -10.631 9.173) 17.612 3.073 ( 10.582 -10.582 11.111) 18.639 3.237 ( 7.980 -7.980 -13.412) 17.528 3.503 ( 10.688 -10.688 -14.956) 21.264 3.736 ( 1.717 -1.717 15.650) 15.837 4.240 ( -3.835 3.835 -12.894) 13.989 4.408 ( 1.331 -1.331 -8.641) 8.843 4.648 ( 0.480 -0.480 4.321) 4.374 5.027 ( 0.905 -0.905 16.032) 16.083 5.085 ( -9.711 9.711 1.820) 13.853 5.510 ( -1.003 1.003 3.946) 4.193 6.045 ( -4.711 4.711 2.257) 7.034 6.775 ( 3.827 -3.827 -8.100) 9.741 6.892 ( 1.741 -1.741 -5.808) 6.309 7.157 ( 1.031 -1.031 0.341) 1.497 7.634 ( 1.300 -1.300 -4.349) 4.722 7.988 ( 3.210 -3.210 -5.964) 7.495 8.159 ( -11.348 11.348 13.192) 20.775 8.603 ( -2.778 2.778 6.207) 7.346 8.879 ( -1.481 1.481 5.517) 5.901 10.365 ( 1.638 -1.638 4.727) 5.263 10.678 ( 5.200 -5.200 5.555) 9.217 11.661 ( -2.869 2.869 -5.187) 6.585 12.198 ( -2.061 2.061 -7.377) 7.932 12.464 ( 5.641 -5.641 -8.568) 11.707 13.036 ( -2.638 2.638 -3.047) 4.817 14.883 ( -0.683 0.683 6.029) 6.106 15.234 ( -4.012 4.012 13.588) 14.725 22.643 ( 0.203 -0.203 -0.350) 0.452 22.797 ( 0.365 -0.365 6.394) 6.415 23.635 ( 3.005 -3.005 -9.235) 10.166 24.094 ( 5.731 -5.731 -7.887) 11.309 24.868 ( 5.888 -5.888 -1.923) 8.547 25.404 ( 0.719 -0.719 -0.303) 1.061 25.499 ( -1.122 1.122 0.752) 1.756 26.720 ( -11.519 11.519 4.415) 16.878 ======================= Grid point 27 (16/90) ======================= q-point: ( 0.40 -0.03 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -5.029 24.061 19.719) 31.513 2.651 ( -26.606 4.410 18.024) 32.438 3.148 ( -1.067 9.962 -7.954) 12.792 3.549 ( -18.061 -0.172 -6.199) 19.096 3.761 ( -9.974 5.419 9.819) 15.009 3.917 ( 4.811 -0.831 2.714) 5.585 4.137 ( -4.617 3.235 0.669) 5.677 4.409 ( -10.121 5.221 31.632) 33.620 4.777 ( -6.574 3.251 5.736) 9.311 5.322 ( 15.818 -5.552 -4.765) 17.428 5.702 ( 0.199 -4.015 -1.521) 4.298 6.047 ( 3.209 -1.525 3.850) 5.239 6.660 ( -3.149 3.356 -10.816) 11.754 6.746 ( -4.581 0.708 2.887) 5.461 7.268 ( 4.735 4.403 -0.103) 6.467 7.538 ( -5.782 -7.087 3.588) 9.825 7.843 ( 3.282 1.381 -4.672) 5.874 8.686 ( 10.511 -5.382 -1.539) 11.909 8.795 ( 7.001 -3.776 -1.738) 8.142 9.217 ( 6.926 -4.192 -7.867) 11.289 10.297 ( -0.906 1.071 9.629) 9.730 10.647 ( -11.721 2.434 0.886) 12.004 11.792 ( 6.429 2.976 -8.823) 11.316 12.140 ( -2.780 -0.639 -2.602) 3.861 12.187 ( -3.339 1.185 -1.948) 4.043 13.244 ( 3.804 -2.098 -10.802) 11.643 14.844 ( 7.442 -2.888 10.715) 13.362 15.506 ( 3.797 -4.722 5.894) 8.453 22.629 ( 0.367 -1.134 1.141) 1.650 23.206 ( -6.610 -2.456 -12.347) 14.219 23.324 ( -1.920 1.369 2.571) 3.489 23.773 ( -3.165 10.851 0.236) 11.306 24.798 ( -2.090 3.249 -5.260) 6.526 25.470 ( -0.122 0.922 -4.347) 4.445 25.588 ( 0.601 -0.485 -1.545) 1.727 26.868 ( 9.522 -9.644 8.375) 15.932 ======================= Grid point 29 (17/90) ======================= q-point: (-0.46 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.000 -0.601 -4.263) 4.305 2.843 ( -0.000 0.446 1.710) 1.767 3.359 ( -0.000 -11.623 -9.407) 14.953 3.710 ( 0.000 3.307 6.436) 7.236 3.978 ( -0.000 -16.133 0.392) 16.138 4.019 ( 0.000 -0.519 -5.473) 5.498 4.131 ( 0.000 -0.547 -1.722) 1.807 4.802 ( 0.000 3.501 4.147) 5.428 4.941 ( 0.000 3.085 -1.792) 3.568 5.057 ( 0.000 2.694 -5.089) 5.758 5.747 ( -0.000 -1.000 0.996) 1.412 6.047 ( 0.000 2.475 -0.876) 2.625 6.587 ( -0.000 -2.128 -1.032) 2.365 6.869 ( -0.000 -0.987 -1.596) 1.877 7.093 ( -0.000 0.908 2.568) 2.724 7.617 ( -0.000 0.440 1.396) 1.463 7.963 ( -0.000 -7.094 -4.960) 8.656 8.533 ( 0.000 5.450 1.525) 5.659 8.537 ( 0.000 7.114 6.013) 9.315 9.080 ( -0.000 0.545 2.156) 2.224 10.421 ( 0.000 -0.033 -0.344) 0.345 10.881 ( -0.000 -9.575 0.562) 9.592 11.461 ( 0.000 8.300 0.824) 8.341 12.142 ( -0.000 -0.377 -0.375) 0.532 12.275 ( -0.000 -3.041 -2.236) 3.775 13.065 ( 0.000 1.608 1.792) 2.408 14.861 ( 0.000 2.873 -0.490) 2.914 15.556 ( -0.000 0.422 1.755) 1.805 22.647 ( -0.000 -0.043 0.347) 0.350 23.236 ( -0.000 -12.693 10.800) 16.666 23.461 ( 0.000 8.594 -10.946) 13.916 23.581 ( 0.000 0.195 -0.646) 0.675 24.728 ( -0.000 -0.563 -0.013) 0.563 25.430 ( -0.000 -0.796 0.629) 1.014 25.547 ( -0.000 0.266 1.035) 1.069 26.927 ( 0.000 3.644 -0.629) 3.698 ======================= Grid point 30 (18/90) ======================= q-point: (-0.46 -0.04 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 24.271 -1.713 -12.327) 27.276 2.934 ( 5.418 -5.415 -2.111) 7.946 3.046 ( 7.089 -17.784 -8.835) 21.085 3.385 ( -2.597 -20.863 9.363) 23.015 3.930 ( -1.056 5.743 1.386) 6.002 3.992 ( 2.628 -4.202 -11.749) 12.752 4.190 ( 2.846 1.022 -5.710) 6.462 4.739 ( 3.413 -7.450 7.101) 10.843 4.971 ( 3.247 -4.291 -17.159) 17.983 5.259 ( -4.468 15.121 1.794) 15.869 5.657 ( -4.924 -0.893 2.767) 5.718 6.108 ( -1.591 4.028 -1.972) 4.759 6.569 ( 3.839 -3.791 -2.007) 5.757 6.807 ( -1.554 -1.829 -3.220) 4.016 7.185 ( 3.695 2.797 6.569) 8.039 7.572 ( -3.611 -2.503 -1.185) 4.550 7.823 ( 3.299 -5.681 -3.171) 7.295 8.599 ( -8.224 10.009 7.668) 15.054 8.738 ( -0.768 8.167 4.033) 9.141 9.067 ( -3.257 1.902 6.918) 7.879 10.409 ( -0.434 -0.210 -0.812) 0.945 10.669 ( 2.340 -9.343 0.403) 9.640 11.665 ( 0.794 6.622 2.815) 7.239 12.112 ( -1.389 -0.600 -2.193) 2.664 12.224 ( 4.128 -5.517 -4.346) 8.147 13.095 ( -1.812 2.782 3.965) 5.171 14.953 ( -1.067 5.251 -0.530) 5.385 15.521 ( -4.631 2.240 4.417) 6.781 22.639 ( -0.461 0.212 0.099) 0.517 22.972 ( -0.002 -8.732 9.712) 13.060 23.445 ( -2.588 1.749 -7.642) 8.255 23.809 ( 10.673 -2.398 -3.524) 11.492 24.742 ( 3.380 -2.296 0.175) 4.090 25.406 ( 0.445 -1.523 1.833) 2.425 25.551 ( -0.767 0.923 1.884) 2.234 26.965 ( -8.407 8.930 -1.320) 12.336 ======================= Grid point 33 (19/90) ======================= q-point: ( 0.54 -0.04 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -0.820 25.292 4.821) 25.760 2.928 ( 0.666 7.607 -2.010) 7.896 3.397 ( -11.445 3.773 8.421) 14.702 3.696 ( 1.595 -1.540 -6.197) 6.581 3.969 ( -16.268 -0.068 1.160) 16.309 4.028 ( -0.143 0.250 3.568) 3.579 4.189 ( 0.831 4.886 1.476) 5.171 4.808 ( 5.620 -0.206 -4.588) 7.258 4.955 ( 2.867 1.198 0.342) 3.126 5.062 ( 0.397 1.067 6.641) 6.738 5.682 ( -1.043 -5.377 -1.100) 5.587 6.031 ( 2.585 -1.714 0.821) 3.208 6.638 ( -2.292 4.211 1.083) 4.915 6.848 ( -1.402 -0.834 0.946) 1.886 7.138 ( 1.506 3.369 -2.455) 4.432 7.609 ( -1.240 -0.633 0.129) 1.398 7.941 ( -4.125 -1.942 3.977) 6.050 8.432 ( 4.381 -8.419 -4.422) 10.470 8.565 ( 6.803 1.346 -2.585) 7.402 9.041 ( 0.616 -3.748 -2.147) 4.363 10.413 ( -0.091 -0.196 0.281) 0.354 10.862 ( -7.271 -1.998 -0.200) 7.543 11.511 ( 6.233 4.520 -1.568) 7.857 12.122 ( -0.312 -1.971 0.794) 2.147 12.325 ( -3.227 4.771 2.143) 6.146 13.042 ( 1.751 -2.183 -1.803) 3.329 14.868 ( 2.430 0.723 0.806) 2.660 15.490 ( 0.754 -6.026 -1.740) 6.317 22.636 ( 0.089 -0.775 -0.029) 0.780 23.116 ( -4.146 -10.528 -6.163) 12.884 23.428 ( 0.121 4.764 4.830) 6.785 23.825 ( 0.268 13.143 1.968) 13.292 24.785 ( -1.381 6.255 -0.223) 6.409 25.433 ( -0.769 0.224 -0.711) 1.071 25.539 ( 0.243 -0.738 -1.194) 1.424 26.818 ( 4.266 -10.372 0.937) 11.254 ======================= Grid point 34 (20/90) ======================= q-point: ( 0.54 -0.04 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( -10.723 10.723 16.715) 22.569 3.151 ( -17.041 17.041 11.614) 26.751 3.238 ( -10.119 10.119 -8.093) 16.440 3.372 ( -6.680 6.680 -9.720) 13.555 3.898 ( 1.844 -1.844 -1.353) 2.937 4.021 ( -0.054 0.054 8.403) 8.403 4.273 ( -4.328 4.328 4.609) 7.662 4.816 ( -2.962 2.962 -9.789) 10.647 5.056 ( -4.100 4.100 14.213) 15.350 5.101 ( 10.205 -10.205 0.455) 14.439 5.579 ( 1.704 -1.704 -2.891) 3.764 6.051 ( 3.982 -3.982 1.523) 5.833 6.655 ( -4.232 4.232 1.953) 6.295 6.816 ( -2.582 2.582 1.461) 3.933 7.227 ( 0.058 -0.058 -6.483) 6.483 7.539 ( -0.826 0.826 5.043) 5.177 7.885 ( -2.716 2.716 3.876) 5.456 8.384 ( 11.891 -11.891 -8.822) 18.990 8.689 ( 3.964 -3.964 -2.259) 6.044 8.988 ( 3.728 -3.728 -5.439) 7.575 10.416 ( -1.014 1.014 0.436) 1.498 10.730 ( -3.508 3.508 0.101) 4.962 11.664 ( 1.166 -1.166 -5.025) 5.289 12.081 ( 1.437 -1.437 3.341) 3.910 12.339 ( -6.607 6.607 4.009) 10.168 13.040 ( 3.359 -3.359 -3.572) 5.944 14.924 ( 1.612 -1.612 2.227) 3.188 15.412 ( 5.263 -5.263 -3.923) 8.413 22.631 ( 0.263 -0.263 0.808) 0.889 22.947 ( 2.069 -2.069 -7.911) 8.435 23.481 ( -4.968 4.968 5.032) 8.641 23.972 ( -4.398 4.398 3.701) 7.237 24.862 ( -8.072 8.072 -0.804) 11.444 25.420 ( -0.921 0.921 -2.064) 2.441 25.532 ( 0.937 -0.937 -2.380) 2.724 26.740 ( 12.416 -12.416 2.449) 17.729 ======================= Grid point 36 (21/90) ======================= q-point: (-0.33 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 -5.048 -21.353) 21.942 2.613 ( -0.000 -27.185 -19.796) 33.629 3.035 ( -0.000 0.535 9.484) 9.499 3.562 ( -0.000 -19.282 3.986) 19.690 3.695 ( -0.000 -12.140 -10.198) 15.855 3.913 ( 0.000 4.167 -5.469) 6.876 4.116 ( -0.000 -0.743 1.871) 2.013 4.349 ( 0.000 -12.176 -32.586) 34.787 4.744 ( -0.000 -7.339 -5.544) 9.198 5.377 ( 0.000 16.294 5.321) 17.141 5.751 ( -0.000 -0.406 0.311) 0.511 6.061 ( 0.000 3.116 -3.767) 4.889 6.621 ( -0.000 -2.864 11.551) 11.901 6.745 ( -0.000 -4.887 -4.248) 6.475 7.217 ( 0.000 4.683 0.559) 4.716 7.638 ( -0.000 -7.770 -6.681) 10.247 7.807 ( 0.000 6.203 10.123) 11.873 8.737 ( 0.000 10.688 0.352) 10.694 8.839 ( 0.000 6.972 2.823) 7.522 9.262 ( 0.000 7.318 8.379) 11.125 10.289 ( 0.000 -0.795 -10.945) 10.974 10.621 ( -0.000 -14.387 -1.176) 14.435 11.754 ( 0.000 6.516 7.916) 10.253 12.124 ( -0.000 -3.680 -1.221) 3.877 12.199 ( -0.000 -1.321 7.203) 7.323 13.265 ( -0.000 3.697 10.998) 11.603 14.877 ( 0.000 9.846 -9.599) 13.751 15.559 ( 0.000 3.124 -5.927) 6.700 22.644 ( 0.000 0.409 -1.060) 1.136 23.158 ( -0.000 -17.652 11.389) 21.007 23.457 ( 0.000 5.574 -3.449) 6.555 23.573 ( -0.000 -0.509 0.314) 0.598 24.766 ( -0.000 -1.136 5.673) 5.786 25.460 ( -0.000 -0.214 3.875) 3.881 25.594 ( -0.000 0.616 1.568) 1.684 26.973 ( 0.000 8.832 -7.535) 11.609 ======================= Grid point 37 (22/90) ======================= q-point: (-0.33 -0.04 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 12.186 -12.186 -22.318) 28.197 2.105 ( 16.293 -16.293 -20.080) 30.563 3.125 ( 2.653 -2.653 3.915) 5.423 3.271 ( 6.872 -6.872 9.627) 13.680 3.555 ( 8.858 -8.858 -13.069) 18.104 4.024 ( 3.941 -3.941 -22.969) 23.636 4.029 ( -4.091 4.091 -1.443) 5.963 4.258 ( 5.272 -5.272 -21.014) 22.298 4.642 ( 5.526 -5.526 -4.531) 9.033 5.572 ( -7.905 7.905 2.781) 11.520 5.716 ( -1.386 1.386 1.908) 2.735 6.099 ( -1.587 1.587 -4.329) 4.877 6.596 ( 2.810 -2.810 12.583) 13.195 6.679 ( 1.885 -1.885 -5.547) 6.154 7.373 ( -2.133 2.133 0.504) 3.058 7.452 ( -0.668 0.668 -3.907) 4.019 7.895 ( -0.879 0.879 13.496) 13.553 8.858 ( -5.481 5.481 1.567) 7.909 8.901 ( -3.542 3.542 1.142) 5.138 9.347 ( -4.980 4.980 10.988) 13.052 10.279 ( 0.652 -0.652 -10.695) 10.735 10.443 ( 7.321 -7.321 -5.651) 11.795 11.806 ( 2.935 -2.935 4.327) 5.996 12.145 ( -0.362 0.362 4.566) 4.594 12.145 ( -0.739 0.739 5.397) 5.497 13.303 ( -1.923 1.923 11.438) 11.757 15.019 ( -8.018 8.018 -6.313) 12.978 15.578 ( -3.065 3.065 -5.180) 6.755 22.639 ( -0.655 0.655 -0.960) 1.335 22.951 ( 11.926 -11.926 8.484) 18.880 23.415 ( -6.264 6.264 -2.675) 9.253 23.685 ( 5.539 -5.539 -0.703) 7.865 24.759 ( 1.447 -1.447 5.732) 6.086 25.454 ( 1.055 -1.055 5.597) 5.793 25.599 ( -0.494 0.494 0.896) 1.136 27.068 ( -8.423 8.423 -6.756) 13.695 ======================= Grid point 39 (23/90) ======================= q-point: (-0.33 -0.04 0.47) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( 6.046 24.553 -16.729) 30.319 3.043 ( 8.450 4.038 -3.321) 9.936 3.225 ( 9.133 11.152 -0.501) 14.423 3.746 ( -6.154 -2.290 0.052) 6.566 3.935 ( 11.809 1.331 -1.622) 11.994 4.013 ( 12.363 1.202 0.931) 12.456 4.224 ( 3.812 4.825 5.349) 8.150 4.624 ( 8.890 2.645 -26.865) 28.421 4.878 ( 1.350 2.481 -5.521) 6.202 4.973 ( -13.514 -4.455 3.017) 14.546 5.696 ( -0.892 -4.975 0.087) 5.055 5.993 ( -1.201 -1.925 -2.911) 3.691 6.717 ( 2.167 3.848 8.902) 9.937 6.845 ( 4.287 0.922 0.149) 4.388 7.197 ( -2.808 2.915 1.519) 4.323 7.621 ( 1.599 -4.600 -0.164) 4.873 7.834 ( 3.607 0.403 -5.576) 6.653 8.483 ( -7.579 -5.438 -0.122) 9.330 8.613 ( -10.161 -2.196 2.737) 10.750 9.087 ( -5.409 -3.873 2.639) 7.157 10.314 ( 0.764 1.339 -8.746) 8.880 10.865 ( 7.185 -2.258 0.935) 7.589 11.597 ( -9.110 4.528 6.438) 12.039 12.191 ( 1.704 -3.178 6.797) 7.694 12.303 ( 6.498 5.106 -0.037) 8.264 13.155 ( -4.472 -2.364 9.189) 10.489 14.755 ( -0.997 0.345 -10.420) 10.473 15.427 ( -3.759 -5.756 -7.948) 10.509 22.623 ( -0.186 -0.831 -1.280) 1.537 23.136 ( -6.552 -10.953 -3.171) 13.151 23.509 ( 7.779 6.013 11.639) 15.236 23.839 ( 4.063 13.400 3.686) 14.480 24.831 ( 0.748 5.125 4.331) 6.752 25.456 ( -1.290 0.772 1.428) 2.074 25.564 ( -1.897 -0.651 1.264) 2.371 26.736 ( -2.451 -10.830 -7.288) 13.282 ======================= Grid point 40 (24/90) ======================= q-point: (-0.33 -0.04 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 7.332 24.917 -11.937) 28.585 3.300 ( -2.450 11.968 8.530) 14.899 3.474 ( -7.346 -0.731 -10.510) 12.844 3.641 ( -0.297 9.093 5.291) 10.524 3.959 ( -16.398 -0.075 -2.342) 16.564 4.156 ( 1.525 0.165 9.144) 9.271 4.357 ( 6.471 3.206 5.913) 9.334 4.686 ( -2.388 -6.002 -2.295) 6.855 4.842 ( 10.912 -0.287 -9.443) 14.433 5.012 ( 2.603 0.695 -14.686) 14.932 5.548 ( -3.320 -2.979 -2.485) 5.106 5.945 ( 4.035 -5.346 -2.908) 7.302 6.832 ( -1.167 4.991 7.526) 9.106 6.934 ( -1.216 3.447 4.545) 5.832 7.183 ( -2.182 1.992 0.177) 2.959 7.659 ( 1.214 1.607 2.247) 3.017 7.856 ( 8.339 -4.724 -6.965) 11.847 8.148 ( -5.209 -12.756 0.925) 13.810 8.547 ( 0.872 3.672 -3.523) 5.163 8.891 ( -2.510 -6.019 -2.321) 6.922 10.387 ( -0.305 4.543 -4.510) 6.409 10.787 ( -3.998 -3.501 -1.667) 5.569 11.626 ( -0.714 4.494 3.211) 5.569 12.147 ( 2.757 -4.658 6.001) 8.081 12.535 ( 0.136 8.434 5.659) 10.158 13.009 ( -1.002 -4.983 5.298) 7.342 14.837 ( 3.446 3.151 -7.250) 8.623 15.205 ( -1.450 -8.511 -10.536) 13.622 22.631 ( 1.012 1.046 -0.269) 1.480 22.838 ( -3.365 -6.644 -3.645) 8.292 23.702 ( -2.569 7.418 9.139) 12.048 24.117 ( 2.919 4.297 9.256) 10.615 25.009 ( -5.387 14.561 -0.812) 15.547 25.435 ( -2.607 0.532 0.154) 2.665 25.494 ( -1.128 -1.854 -0.296) 2.191 26.495 ( 8.919 -16.699 -4.268) 19.407 ======================= Grid point 43 (25/90) ======================= q-point: (-0.20 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 0.000 -4.570 -26.450) 26.841 1.575 ( -0.000 -29.593 -23.155) 37.576 2.897 ( 0.000 -11.416 -55.274) 56.441 3.033 ( -0.000 -6.070 -8.513) 10.455 3.339 ( -0.000 -7.106 1.865) 7.347 3.414 ( -0.000 -13.284 1.588) 13.378 4.112 ( 0.000 5.583 -1.304) 5.734 4.222 ( -0.000 -0.667 10.529) 10.550 4.430 ( -0.000 -9.001 -4.573) 10.096 5.669 ( 0.000 4.566 0.109) 4.568 5.712 ( 0.000 -0.036 -4.435) 4.435 6.024 ( 0.000 1.374 -4.224) 4.441 6.540 ( -0.000 -4.476 -5.189) 6.853 6.915 ( -0.000 -0.123 18.727) 18.728 7.319 ( 0.000 7.215 -2.725) 7.712 7.431 ( -0.000 -2.422 -3.781) 4.490 8.182 ( 0.000 14.822 5.656) 15.865 8.930 ( 0.000 5.744 0.880) 5.811 8.940 ( 0.000 2.481 -0.648) 2.564 9.606 ( 0.000 6.786 8.348) 10.759 10.008 ( 0.000 -1.285 -13.177) 13.239 10.248 ( -0.000 -20.664 -0.290) 20.666 11.813 ( -0.000 -6.173 2.088) 6.517 12.273 ( 0.000 6.338 7.596) 9.893 12.344 ( -0.000 -0.998 8.679) 8.736 13.623 ( -0.000 2.284 18.079) 18.223 14.950 ( 0.000 23.214 -14.678) 27.465 15.415 ( 0.000 2.458 -14.491) 14.698 22.620 ( 0.000 0.367 -2.044) 2.077 22.946 ( -0.000 -25.479 10.869) 27.701 23.532 ( 0.000 3.442 0.846) 3.545 23.577 ( -0.000 -0.537 1.190) 1.306 24.909 ( -0.000 -0.704 10.184) 10.208 25.570 ( -0.000 1.454 3.515) 3.804 25.611 ( -0.000 -1.840 2.898) 3.433 26.990 ( 0.000 12.382 -12.049) 17.277 ======================= Grid point 45 (26/90) ======================= q-point: (-0.20 -0.05 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 8.120 27.484 -18.869) 34.312 2.268 ( 26.715 8.897 -19.931) 34.498 3.210 ( 12.828 4.289 -10.114) 16.889 3.395 ( 17.391 10.712 -23.350) 31.023 3.630 ( 12.450 6.703 0.972) 14.173 3.810 ( 12.976 6.075 -4.125) 14.910 3.928 ( -1.508 -5.916 -5.518) 8.229 4.332 ( 2.684 5.080 12.271) 13.549 4.623 ( 5.719 2.527 -5.463) 8.302 5.409 ( -11.663 -7.616 2.972) 14.243 5.716 ( -1.738 -1.074 0.328) 2.070 5.965 ( -2.743 -1.749 -3.987) 5.146 6.694 ( 7.092 2.670 -2.150) 7.877 6.935 ( 0.334 1.756 14.168) 14.280 7.219 ( -4.381 3.296 -3.875) 6.713 7.433 ( 4.687 -6.044 -5.995) 9.718 7.864 ( -9.686 -2.870 -6.008) 11.754 8.690 ( -11.429 -4.284 -0.736) 12.228 8.811 ( -6.040 -4.726 0.050) 7.669 9.370 ( -10.053 -5.010 6.963) 13.216 10.072 ( 1.835 3.329 -11.459) 12.073 10.715 ( 15.031 3.118 9.529) 18.068 11.983 ( -6.660 3.679 9.297) 12.013 12.137 ( 3.099 3.630 -1.653) 5.051 12.312 ( 1.541 -5.588 7.548) 9.517 13.525 ( -4.928 -2.493 16.898) 17.778 14.510 ( -7.697 -3.764 -22.570) 24.142 15.294 ( -4.816 -4.381 -14.799) 16.168 22.598 ( -0.439 -0.815 -1.739) 1.970 23.234 ( -7.214 -8.613 -1.470) 11.331 23.597 ( 14.953 9.985 21.052) 27.686 23.799 ( 7.360 10.437 4.114) 13.418 24.945 ( 1.057 2.061 9.095) 9.386 25.544 ( -3.352 2.259 0.580) 4.083 25.627 ( 0.326 -1.163 3.997) 4.175 26.619 ( -9.455 -11.187 -16.764) 22.262 ======================= Grid point 46 (27/90) ======================= q-point: (-0.20 -0.05 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 11.772 24.024 -11.901) 29.281 2.996 ( 14.019 20.396 -15.471) 29.187 3.551 ( -5.950 -0.663 -0.327) 5.996 3.681 ( 9.671 4.911 0.419) 10.854 3.984 ( 10.602 4.848 -3.207) 12.091 4.089 ( 15.907 7.960 -2.982) 18.035 4.154 ( 5.587 3.544 -16.476) 17.755 4.532 ( 5.217 5.416 13.287) 15.267 4.727 ( 0.098 1.216 -8.390) 8.478 4.927 ( -14.190 -11.182 4.878) 18.713 5.576 ( -3.581 -5.154 -1.346) 6.418 5.835 ( -2.225 -5.839 -4.864) 7.919 6.929 ( 6.361 5.867 0.794) 8.689 6.995 ( 0.421 2.885 8.426) 8.917 7.231 ( -2.584 2.439 -3.504) 4.990 7.410 ( 6.187 -5.633 -7.162) 11.014 7.731 ( -0.695 0.384 -7.189) 7.233 8.305 ( -10.363 -11.076 -0.452) 15.175 8.592 ( -5.190 -1.162 0.008) 5.319 9.025 ( -9.770 -7.794 2.970) 12.846 10.241 ( 3.089 8.358 -7.020) 11.344 10.859 ( -0.630 -4.671 5.450) 7.205 11.804 ( -7.748 3.986 3.198) 9.281 12.195 ( 2.468 -9.038 4.791) 10.523 12.520 ( 10.945 10.966 6.329) 16.736 13.316 ( -7.193 -5.788 14.536) 17.220 14.499 ( 4.478 3.297 -16.654) 17.558 15.051 ( -6.543 -7.398 -14.691) 17.702 22.593 ( 0.788 0.651 -0.980) 1.416 22.907 ( -6.579 -7.573 -0.849) 10.067 23.956 ( -0.436 12.151 12.495) 17.434 24.198 ( 11.510 4.614 13.617) 18.417 25.058 ( 0.895 7.542 3.791) 8.488 25.526 ( -5.157 4.380 -0.384) 6.777 25.563 ( -3.323 -2.222 1.517) 4.275 26.216 ( 0.841 -17.758 -13.446) 22.290 ======================= Grid point 47 (28/90) ======================= q-point: (-0.20 -0.05 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -2.142 2.142 -10.087) 10.532 3.144 ( -0.796 0.796 -8.323) 8.399 3.686 ( -6.584 6.584 -0.660) 9.335 3.695 ( -7.388 7.388 -7.465) 12.841 4.119 ( -6.802 6.802 1.858) 9.798 4.332 ( 2.349 -2.349 6.492) 7.293 4.474 ( 3.102 -3.102 -9.239) 10.227 4.503 ( 2.915 -2.915 -1.944) 4.558 4.625 ( 0.453 -0.453 0.363) 0.737 4.717 ( 6.181 -6.181 3.255) 9.328 5.487 ( -3.711 3.711 -5.002) 7.250 5.707 ( 6.306 -6.306 -6.948) 11.305 7.040 ( -2.493 2.493 3.637) 5.065 7.080 ( -1.726 1.726 2.028) 3.173 7.207 ( -2.554 2.554 -2.217) 4.238 7.473 ( 8.965 -8.965 -9.538) 15.866 7.785 ( -2.917 2.917 0.430) 4.148 7.954 ( 5.015 -5.015 -2.010) 7.371 8.614 ( -4.414 4.414 0.533) 6.265 8.747 ( 1.829 -1.829 -1.345) 2.916 10.464 ( -5.999 5.999 -0.813) 8.523 10.667 ( 1.860 -1.860 -2.627) 3.717 11.811 ( -4.373 4.373 5.333) 8.167 12.103 ( 7.569 -7.569 2.441) 10.979 12.885 ( -4.677 4.677 11.872) 13.589 13.051 ( 3.312 -3.312 10.362) 11.372 14.712 ( -0.919 0.919 -12.513) 12.580 14.780 ( 2.326 -2.326 -16.235) 16.565 22.667 ( -0.496 0.496 0.277) 0.754 22.696 ( 0.769 -0.769 -1.407) 1.779 24.081 ( -7.712 7.712 12.905) 16.897 24.370 ( 4.537 -4.537 15.262) 16.556 25.233 ( -11.185 11.185 -6.115) 16.959 25.422 ( 0.731 -0.731 0.049) 1.035 25.525 ( -3.912 3.912 1.416) 5.711 26.022 ( 15.265 -15.265 -8.200) 23.092 ======================= Grid point 51 (29/90) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.619 ( 0.000 0.000 -30.188) 30.188 0.619 ( 0.000 0.000 -30.188) 30.188 1.435 ( 0.000 0.000 -70.017) 70.017 2.747 ( 0.000 0.000 -7.357) 7.357 3.333 ( -0.000 -0.000 1.900) 1.900 3.333 ( -0.000 -0.000 1.900) 1.900 3.992 ( 0.000 0.000 -11.870) 11.870 4.481 ( -0.000 -0.000 14.430) 14.430 4.481 ( -0.000 -0.000 14.430) 14.430 5.569 ( 0.000 0.000 -9.017) 9.017 5.569 ( 0.000 0.000 -9.017) 9.017 5.965 ( 0.000 0.000 -2.612) 2.612 6.403 ( 0.000 0.000 -3.113) 3.113 7.254 ( -0.000 -0.000 12.478) 12.478 7.358 ( 0.000 0.000 -1.738) 1.738 7.358 ( 0.000 0.000 -1.738) 1.738 8.727 ( -0.000 -0.000 11.631) 11.631 8.947 ( 0.000 0.000 -0.852) 0.852 8.947 ( 0.000 0.000 -0.852) 0.852 9.763 ( 0.000 0.000 -8.339) 8.339 9.763 ( 0.000 0.000 -8.339) 8.339 9.816 ( -0.000 -0.000 4.555) 4.555 11.766 ( -0.000 -0.000 0.685) 0.685 12.480 ( -0.000 -0.000 5.395) 5.395 12.480 ( -0.000 -0.000 5.395) 5.395 14.065 ( -0.000 -0.000 22.560) 22.560 15.079 ( 0.000 0.000 -20.831) 20.831 15.243 ( 0.000 0.000 -0.866) 0.866 22.585 ( 0.000 0.000 -1.630) 1.630 22.585 ( 0.000 0.000 -1.630) 1.630 23.596 ( -0.000 -0.000 1.089) 1.089 23.596 ( -0.000 -0.000 1.089) 1.089 25.126 ( -0.000 -0.000 11.387) 11.387 25.517 ( 0.000 0.000 -5.881) 5.881 25.751 ( -0.000 -0.000 7.830) 7.830 26.992 ( 0.000 0.000 -6.753) 6.753 ======================= Grid point 52 (30/90) ======================= q-point: (-0.06 -0.06 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 19.368 19.368 -16.328) 31.888 1.329 ( 24.939 24.939 -14.759) 38.232 1.938 ( 20.409 20.409 -48.932) 56.810 2.994 ( 11.008 11.008 -4.866) 16.311 3.501 ( 7.800 7.800 2.257) 11.259 3.508 ( 8.071 8.071 0.362) 11.420 3.897 ( -4.271 -4.271 -8.729) 10.615 4.564 ( 3.283 3.283 10.250) 11.252 4.578 ( 3.225 3.225 14.516) 15.216 5.480 ( -4.439 -4.439 -7.596) 9.854 5.831 ( 3.848 3.848 13.456) 14.515 5.941 ( -1.327 -1.327 -2.478) 3.108 6.516 ( 5.458 5.458 -1.593) 7.881 7.218 ( -1.551 -1.551 10.350) 10.580 7.248 ( -4.391 -4.391 -4.976) 7.957 7.310 ( -2.172 -2.172 -2.017) 3.675 7.768 ( -12.697 -12.697 -30.459) 35.358 8.847 ( -5.094 -5.094 -0.863) 7.256 8.918 ( -4.852 -4.852 -0.723) 6.900 9.667 ( -5.899 -5.899 4.450) 9.455 9.825 ( 2.204 2.204 -7.644) 8.255 10.755 ( 17.006 17.006 32.224) 40.209 11.930 ( 7.980 7.980 1.801) 11.428 12.346 ( -8.554 -8.554 -0.889) 12.129 12.434 ( -2.225 -2.225 5.130) 6.018 14.005 ( -2.956 -2.956 21.818) 22.215 14.110 ( -15.169 -15.169 -45.216) 50.047 15.017 ( -2.978 -2.978 -20.366) 20.797 22.574 ( -0.413 -0.413 -1.398) 1.515 23.379 ( -6.315 -6.315 2.479) 9.269 23.707 ( 5.285 5.285 0.839) 7.522 23.815 ( 23.063 23.063 43.047) 54.008 25.139 ( 0.629 0.629 11.093) 11.128 25.518 ( 0.073 0.073 -5.671) 5.672 25.756 ( -0.444 -0.444 6.504) 6.534 26.415 ( -15.098 -15.098 -31.121) 37.741 ======================= Grid point 53 (31/90) ======================= q-point: (-0.06 -0.06 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 19.133 19.133 -9.669) 28.734 2.366 ( 24.231 24.231 -9.374) 35.526 2.859 ( 22.843 22.843 -26.631) 41.866 3.549 ( 14.986 14.986 -1.117) 21.223 3.660 ( -7.052 -7.052 -5.538) 11.407 3.900 ( 8.597 8.597 -1.842) 12.296 3.919 ( 11.547 11.547 3.126) 16.626 4.675 ( 1.244 1.244 4.136) 4.494 4.720 ( 3.943 3.943 13.036) 14.179 5.195 ( -9.432 -9.432 -3.301) 13.742 5.740 ( -7.017 -7.017 7.659) 12.535 5.834 ( -4.170 -4.170 -2.634) 6.459 6.795 ( 7.138 7.138 1.641) 10.228 7.155 ( 0.390 0.390 -10.114) 10.129 7.156 ( -1.220 -1.220 5.663) 5.920 7.211 ( -2.032 -2.032 -3.272) 4.354 7.530 ( -1.258 -1.258 -14.911) 15.016 8.522 ( -10.426 -10.426 -0.895) 14.772 8.686 ( -5.259 -5.259 -0.770) 7.477 9.324 ( -10.233 -10.233 3.846) 14.974 10.004 ( 6.533 6.533 -5.757) 10.886 11.099 ( 0.590 0.590 19.862) 19.880 11.903 ( -7.513 -7.513 -11.706) 15.809 12.301 ( -4.188 -4.188 4.350) 7.349 12.406 ( 13.136 13.136 7.388) 19.992 13.814 ( -6.492 -6.492 19.422) 21.483 14.026 ( 4.858 4.858 -19.890) 21.043 14.840 ( -5.532 -5.532 -18.736) 20.304 22.566 ( 0.233 0.233 -0.814) 0.878 23.051 ( -7.980 -7.980 0.109) 11.286 24.008 ( 8.978 8.978 1.153) 12.749 24.434 ( 8.887 8.887 32.807) 35.132 25.177 ( 1.271 1.271 9.536) 9.704 25.529 ( 0.573 0.573 -5.196) 5.259 25.677 ( -3.793 -3.793 -0.040) 5.365 25.924 ( -9.258 -9.258 -22.652) 26.163 ======================= Grid point 54 (32/90) ======================= q-point: (-0.06 -0.06 0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 14.709 14.709 -9.068) 22.693 3.076 ( 0.354 0.354 -11.407) 11.418 3.491 ( 7.909 7.909 -0.096) 11.185 3.733 ( 18.832 18.832 -12.629) 29.475 3.956 ( -6.995 -6.995 -1.149) 9.959 4.164 ( 14.259 14.259 0.302) 20.167 4.246 ( -1.684 -1.684 -3.228) 4.011 4.669 ( -4.385 -4.385 3.970) 7.364 4.769 ( -3.725 -3.725 4.192) 6.732 4.921 ( 2.545 2.545 15.469) 15.882 5.421 ( -4.285 -4.285 -5.370) 8.097 5.590 ( -7.413 -7.413 -4.773) 11.519 7.036 ( 3.642 3.642 -2.040) 5.539 7.108 ( -1.065 -1.065 0.838) 1.724 7.192 ( 0.741 0.741 -4.444) 4.566 7.194 ( 0.864 0.864 -4.796) 4.950 7.642 ( 6.580 6.580 -5.537) 10.828 8.043 ( -11.944 -11.944 -1.130) 16.930 8.602 ( 2.468 2.468 0.026) 3.491 8.886 ( -10.085 -10.085 1.629) 14.355 10.356 ( 10.387 10.387 -2.218) 14.856 10.820 ( -11.308 -11.308 3.938) 16.469 11.879 ( 4.315 4.315 -1.234) 6.226 12.098 ( -5.518 -5.518 2.861) 8.312 12.967 ( 13.421 13.421 10.813) 21.844 13.465 ( -10.484 -10.484 15.324) 21.323 14.288 ( 7.079 7.079 -14.317) 17.470 14.579 ( -6.920 -6.920 -15.950) 18.713 22.614 ( 2.348 2.348 -0.205) 3.327 22.772 ( -5.394 -5.394 0.085) 7.628 24.390 ( 8.593 8.593 6.612) 13.835 24.605 ( -0.732 -0.732 21.667) 21.692 25.252 ( 2.625 2.625 3.230) 4.921 25.434 ( -6.441 -6.441 -9.503) 13.163 25.573 ( 1.650 1.650 -4.805) 5.342 25.676 ( -3.564 -3.564 -6.114) 7.923 ======================= Grid point 58 (33/90) ======================= q-point: ( 0.07 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.362 ( -0.000 17.444 0.000) 17.444 0.697 ( -0.000 33.322 0.000) 33.322 1.195 ( -0.000 56.926 0.000) 56.926 2.813 ( -0.000 13.043 0.000) 13.043 3.400 ( -0.000 4.613 0.000) 4.613 3.471 ( -0.000 11.185 0.000) 11.185 3.838 ( 0.000 -2.525 -0.000) 2.525 4.687 ( -0.000 1.375 0.000) 1.375 4.704 ( -0.000 3.704 0.000) 3.704 5.428 ( 0.000 -1.386 -0.000) 1.386 5.928 ( 0.000 -1.065 -0.000) 1.065 6.428 ( -0.000 5.563 0.000) 5.563 6.429 ( 0.000 -8.554 -0.000) 8.554 6.845 ( -0.000 0.309 0.000) 0.309 7.298 ( 0.000 -3.587 -0.000) 3.587 7.346 ( -0.000 0.553 0.000) 0.553 7.359 ( 0.000 -2.204 -0.000) 2.204 8.913 ( 0.000 -2.370 -0.000) 2.370 8.927 ( 0.000 -8.586 -0.000) 8.586 9.689 ( -0.000 1.144 0.000) 1.144 9.794 ( 0.000 -6.509 -0.000) 6.509 11.438 ( -0.000 4.783 0.000) 4.783 11.886 ( -0.000 10.156 0.000) 10.156 12.262 ( 0.000 -21.104 -0.000) 21.104 12.546 ( -0.000 0.943 0.000) 0.943 13.258 ( -0.000 13.496 0.000) 13.496 14.394 ( 0.000 -3.785 -0.000) 3.785 14.708 ( 0.000 -1.826 -0.000) 1.826 22.563 ( 0.000 -0.369 -0.000) 0.369 23.532 ( 0.000 -6.723 -0.000) 6.723 23.615 ( -0.000 0.725 0.000) 0.725 24.615 ( -0.000 10.176 0.000) 10.176 25.232 ( 0.000 -7.152 -0.000) 7.152 25.395 ( 0.000 -0.001 -0.000) 0.001 25.794 ( 0.000 -2.407 -0.000) 2.407 25.934 ( -0.000 2.318 0.000) 2.318 ======================= Grid point 59 (34/90) ======================= q-point: ( 0.07 -0.07 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.382 ( 47.769 9.038 -0.000) 48.617 1.503 ( 13.306 26.734 0.000) 29.862 2.346 ( 3.837 49.503 0.000) 49.651 3.264 ( 10.091 17.632 0.000) 20.316 3.651 ( 10.029 8.734 -0.000) 13.299 3.711 ( -4.762 -4.632 0.000) 6.643 3.815 ( 3.857 16.507 0.000) 16.952 4.701 ( 2.525 -3.949 -0.000) 4.687 4.835 ( 0.880 7.352 0.000) 7.404 5.297 ( -7.420 -3.572 0.000) 8.235 5.871 ( -2.007 -3.184 -0.000) 3.764 6.073 ( -7.626 -12.208 -0.000) 14.394 6.731 ( 9.343 6.944 -0.000) 11.641 6.868 ( 1.002 1.408 0.000) 1.728 7.214 ( -1.889 -2.037 -0.000) 2.778 7.277 ( -2.019 -3.267 -0.000) 3.841 7.348 ( -0.717 1.635 0.000) 1.785 8.654 ( -3.830 -12.284 -0.000) 12.867 8.794 ( -4.859 -5.418 -0.000) 7.278 9.539 ( -5.936 -11.743 -0.000) 13.158 9.793 ( 6.337 3.014 -0.000) 7.017 11.567 ( -1.196 9.897 0.000) 9.969 11.713 ( -6.403 -23.310 -0.000) 24.173 12.250 ( 9.145 14.544 0.000) 17.181 12.479 ( -7.344 0.854 0.000) 7.393 13.612 ( 7.987 9.812 0.000) 12.652 14.236 ( -4.673 -7.018 -0.000) 8.431 14.627 ( -2.360 -3.589 -0.000) 4.296 22.553 ( 0.055 -0.339 -0.000) 0.344 23.229 ( -8.817 -8.527 0.000) 12.266 23.796 ( 11.327 2.694 -0.000) 11.643 24.904 ( 2.038 13.222 0.000) 13.379 25.138 ( 9.621 -14.872 -0.000) 17.713 25.402 ( 0.535 0.457 -0.000) 0.703 25.681 ( -9.263 1.614 0.000) 9.403 25.870 ( -6.366 0.080 0.000) 6.367 ======================= Grid point 60 (35/90) ======================= q-point: ( 0.07 -0.07 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.262 ( 13.167 19.848 0.000) 23.819 2.493 ( 41.275 7.217 -0.000) 41.901 3.242 ( 2.765 15.710 0.000) 15.951 3.559 ( -3.763 13.860 0.000) 14.362 3.853 ( 15.172 12.678 -0.000) 19.772 3.992 ( 1.671 0.416 -0.000) 1.721 4.175 ( 5.938 6.619 0.000) 8.892 4.682 ( 6.401 -0.068 -0.000) 6.401 4.977 ( -12.120 -8.004 0.000) 14.525 5.025 ( 0.284 11.214 0.000) 11.218 5.589 ( -9.534 -15.359 -0.000) 18.078 5.705 ( -7.408 -5.888 0.000) 9.463 6.952 ( 2.143 3.055 0.000) 3.732 7.049 ( 5.849 6.396 0.000) 8.667 7.163 ( -2.663 2.227 0.000) 3.472 7.164 ( -2.463 -2.668 -0.000) 3.631 7.454 ( 4.147 6.769 0.000) 7.938 8.268 ( -9.583 -11.954 -0.000) 15.321 8.591 ( -2.019 -3.420 -0.000) 3.972 9.109 ( -8.932 -13.797 -0.000) 16.435 10.078 ( 12.650 5.535 -0.000) 13.808 11.096 ( -8.020 -21.495 -0.000) 22.942 11.790 ( 0.488 12.007 0.000) 12.017 12.301 ( -10.153 -0.401 0.000) 10.161 12.801 ( 13.810 14.961 0.000) 20.360 13.844 ( -1.444 -9.681 -0.000) 9.788 14.011 ( 0.056 5.582 0.000) 5.582 14.470 ( -4.157 -5.042 -0.000) 6.535 22.571 ( 1.579 0.958 -0.000) 1.847 22.900 ( -6.895 -7.032 -0.000) 9.848 24.152 ( 16.477 3.418 -0.000) 16.828 24.945 ( 6.737 -20.914 -0.000) 21.972 25.187 ( -0.815 12.528 0.000) 12.554 25.449 ( 1.847 1.965 0.000) 2.697 25.524 ( -13.317 6.340 0.000) 14.749 25.718 ( -5.536 -2.482 0.000) 6.067 ======================= Grid point 61 (36/90) ======================= q-point: ( 0.07 -0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.828 ( -10.881 -8.636 0.000) 13.892 2.828 ( 8.636 10.881 0.000) 13.892 3.559 ( -3.060 -29.729 -0.000) 29.886 3.559 ( 29.729 3.060 -0.000) 29.886 4.076 ( -14.217 -3.544 0.000) 14.652 4.076 ( 3.544 14.217 0.000) 14.652 4.491 ( -15.400 -10.061 0.000) 18.396 4.491 ( 10.061 15.400 0.000) 18.396 5.054 ( -12.911 -12.234 0.000) 17.787 5.054 ( 12.234 12.911 0.000) 17.787 5.362 ( -10.692 -5.629 0.000) 12.084 5.362 ( 5.629 10.692 0.000) 12.084 7.055 ( -2.153 -2.389 -0.000) 3.216 7.055 ( 2.389 2.153 -0.000) 3.216 7.178 ( -1.656 1.652 0.000) 2.339 7.178 ( -1.652 1.656 0.000) 2.339 7.804 ( -12.393 -8.850 0.000) 15.229 7.804 ( 8.850 12.393 0.000) 15.229 8.692 ( -5.284 -9.312 -0.000) 10.706 8.692 ( 9.312 5.284 -0.000) 10.706 10.528 ( -6.989 -17.373 -0.000) 18.726 10.528 ( 17.373 6.989 -0.000) 18.726 12.057 ( -10.520 0.143 0.000) 10.521 12.057 ( -0.143 10.520 0.000) 10.521 13.384 ( -11.800 -13.983 0.000) 18.296 13.384 ( 13.983 11.800 0.000) 18.296 14.253 ( -5.910 -5.791 0.000) 8.275 14.253 ( 5.791 5.910 0.000) 8.275 22.674 ( -3.649 -4.235 -0.000) 5.590 22.674 ( 4.235 3.649 -0.000) 5.590 24.577 ( 2.195 -17.723 -0.000) 17.858 24.577 ( 17.723 -2.195 -0.000) 17.858 25.382 ( -9.805 6.771 0.000) 11.916 25.382 ( -6.771 9.805 0.000) 11.916 25.560 ( -2.290 -1.095 0.000) 2.539 25.560 ( 1.095 2.290 0.000) 2.539 ======================= Grid point 66 (37/90) ======================= q-point: ( 0.21 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 12.407 19.343) 22.980 1.687 ( 0.000 25.316 25.500) 35.932 2.571 ( 0.000 43.801 26.414) 51.149 3.174 ( 0.000 15.399 1.341) 15.457 3.535 ( 0.000 10.571 -0.383) 10.578 3.760 ( 0.000 15.953 -0.952) 15.981 3.863 ( -0.000 -4.017 8.019) 8.969 4.580 ( 0.000 5.325 -17.716) 18.499 4.624 ( 0.000 -0.051 -4.486) 4.486 5.555 ( -0.000 -0.346 10.703) 10.709 5.754 ( 0.000 -5.875 -20.222) 21.058 5.917 ( -0.000 -2.378 2.364) 3.353 6.614 ( 0.000 9.594 1.977) 9.796 7.064 ( -0.000 -6.363 3.633) 7.327 7.212 ( 0.000 -2.474 -7.353) 7.758 7.402 ( 0.000 2.231 3.750) 4.363 7.574 ( -0.000 -11.379 25.661) 28.071 8.709 ( -0.000 -13.231 1.352) 13.300 8.849 ( -0.000 -4.826 0.716) 4.879 9.542 ( -0.000 -11.416 -4.757) 12.368 9.820 ( -0.000 1.591 8.417) 8.566 11.053 ( 0.000 16.152 -27.263) 31.689 12.038 ( -0.000 -8.419 7.055) 10.984 12.088 ( 0.000 2.550 -5.643) 6.193 12.517 ( 0.000 1.495 -5.344) 5.550 13.878 ( -0.000 -8.327 3.444) 9.012 14.036 ( -0.000 -1.622 8.692) 8.842 14.975 ( -0.000 -4.885 20.494) 21.069 22.569 ( -0.000 -0.684 1.594) 1.735 23.350 ( -0.000 -8.493 -0.730) 8.524 23.624 ( 0.000 1.422 -1.250) 1.894 24.157 ( 0.000 22.027 -38.244) 44.134 25.122 ( 0.000 -0.685 -8.370) 8.398 25.448 ( -0.000 -4.104 6.374) 7.581 25.740 ( -0.000 -2.269 -4.319) 4.879 26.329 ( -0.000 -6.828 25.033) 25.948 ======================= Grid point 67 (38/90) ======================= q-point: ( 0.21 -0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 36.139 10.854 8.269) 38.629 2.275 ( 9.680 20.042 20.167) 30.035 3.399 ( 0.600 26.710 14.374) 30.338 3.558 ( 10.942 13.324 0.908) 17.265 3.693 ( -4.422 -1.448 3.522) 5.835 3.908 ( 5.138 15.522 0.218) 16.352 4.091 ( 1.592 6.532 -0.358) 6.733 4.572 ( 3.391 -3.213 1.647) 4.953 4.754 ( 2.801 7.092 -17.794) 19.359 5.291 ( -13.481 -7.524 -3.567) 15.845 5.642 ( 0.085 -8.134 -1.780) 8.327 5.842 ( -2.727 -2.605 2.923) 4.772 6.865 ( 2.969 9.731 -1.253) 10.251 7.040 ( 2.783 -0.706 3.031) 4.175 7.164 ( -0.383 -1.088 -2.980) 3.196 7.350 ( -5.247 2.468 9.735) 11.331 7.510 ( 1.925 1.670 10.448) 10.754 8.409 ( -2.842 -11.923 1.828) 12.393 8.673 ( -4.488 -7.147 -0.105) 8.439 9.223 ( -4.703 -14.188 -3.056) 15.256 9.927 ( 6.711 2.609 6.765) 9.880 11.097 ( -2.901 -11.520 -8.929) 14.861 11.819 ( -0.707 1.959 -1.145) 2.377 12.424 ( 1.178 8.422 -6.391) 10.638 12.496 ( -0.048 7.025 -5.505) 8.925 13.718 ( -1.409 -8.727 -13.426) 16.075 14.092 ( 1.428 6.274 13.996) 15.404 14.816 ( -3.746 -6.465 19.307) 20.703 22.559 ( 0.529 -0.304 1.210) 1.356 23.053 ( -7.474 -8.681 0.417) 11.462 23.814 ( 12.668 0.971 -2.206) 12.895 24.487 ( 5.770 2.481 -23.607) 24.429 25.144 ( 0.130 2.929 -9.397) 9.843 25.398 ( 1.756 -2.295 3.861) 4.823 25.660 ( -1.576 -3.656 -2.623) 4.768 26.176 ( -10.493 3.115 19.274) 22.165 ======================= Grid point 68 (39/90) ======================= q-point: ( 0.21 -0.08 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 28.195 11.539 2.312) 30.552 2.850 ( 16.535 7.483 14.831) 23.438 3.300 ( -5.559 -9.315 6.914) 12.864 3.695 ( -3.156 -24.226 4.520) 24.846 4.000 ( 11.593 5.139 -2.232) 12.876 4.099 ( 4.647 12.596 8.800) 16.053 4.386 ( 2.304 14.288 -1.700) 14.572 4.732 ( -7.401 -0.710 -5.007) 8.964 4.845 ( -2.257 4.506 -1.691) 5.316 4.959 ( -0.994 2.423 -18.123) 18.311 5.421 ( -5.510 -4.806 3.851) 8.264 5.700 ( -7.693 0.968 8.215) 11.296 7.028 ( 1.369 0.463 0.111) 1.449 7.067 ( 1.130 0.148 -2.952) 3.164 7.160 ( -0.068 0.502 1.574) 1.653 7.393 ( -4.444 8.571 10.525) 14.283 7.679 ( 4.660 8.033 2.315) 9.571 8.094 ( -10.523 -6.102 3.273) 12.597 8.519 ( 4.560 -3.192 -1.689) 5.817 8.822 ( -5.841 -11.827 0.831) 13.217 10.201 ( 13.635 2.866 2.797) 14.211 10.670 ( -3.522 -18.265 2.431) 18.759 11.962 ( -1.899 9.655 -9.230) 13.491 12.314 ( -10.098 3.335 -0.867) 10.670 12.931 ( 12.272 8.985 -12.339) 19.585 13.435 ( -6.790 -9.358 -12.570) 17.079 14.310 ( 5.234 7.193 14.562) 17.064 14.574 ( -6.081 -6.714 16.819) 19.103 22.603 ( 2.964 1.681 0.588) 3.458 22.765 ( -4.965 -6.186 0.377) 7.941 24.094 ( 13.807 -2.807 -7.419) 15.923 24.506 ( 7.890 -11.800 -3.170) 14.544 25.216 ( -3.428 6.015 -16.483) 17.878 25.430 ( 1.846 1.585 0.142) 2.438 25.544 ( -2.368 -3.105 -1.395) 4.146 26.058 ( -12.527 9.171 17.267) 23.220 ======================= Grid point 73 (40/90) ======================= q-point: ( 0.34 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 9.275 19.881) 21.939 2.646 ( 0.000 18.829 23.909) 30.433 3.273 ( 0.000 3.361 -10.221) 10.759 3.753 ( 0.000 6.005 4.516) 7.514 3.866 ( 0.000 16.105 1.620) 16.186 3.943 ( 0.000 16.785 16.831) 23.770 4.098 ( 0.000 7.571 8.969) 11.737 4.367 ( 0.000 6.964 -14.136) 15.758 4.651 ( -0.000 -0.601 9.396) 9.415 5.210 ( -0.000 -14.378 -12.614) 19.127 5.708 ( -0.000 -1.073 4.423) 4.551 5.942 ( -0.000 -0.617 3.986) 4.034 6.830 ( 0.000 7.550 0.180) 7.552 6.906 ( 0.000 -0.649 -11.351) 11.370 7.155 ( 0.000 0.923 1.822) 2.043 7.634 ( 0.000 7.674 9.532) 12.237 7.673 ( -0.000 -7.585 6.187) 9.789 8.479 ( -0.000 -11.085 2.436) 11.349 8.712 ( -0.000 -9.246 -1.546) 9.374 9.194 ( -0.000 -10.930 -3.832) 11.582 10.068 ( -0.000 1.501 12.065) 12.158 10.956 ( 0.000 4.127 -6.293) 7.525 11.712 ( -0.000 -8.414 -8.194) 11.745 12.264 ( 0.000 10.337 -2.268) 10.583 12.400 ( 0.000 1.349 -8.840) 8.942 13.428 ( 0.000 -6.654 -14.985) 16.396 14.454 ( -0.000 0.598 18.743) 18.752 15.236 ( -0.000 -5.817 16.504) 17.499 22.594 ( -0.000 -0.841 2.250) 2.403 23.185 ( -0.000 -9.731 2.981) 10.177 23.624 ( 0.000 1.752 -2.056) 2.702 23.919 ( 0.000 12.936 -23.305) 26.655 24.935 ( 0.000 0.603 -9.371) 9.390 25.446 ( -0.000 -3.157 1.755) 3.612 25.613 ( -0.000 -2.461 -2.857) 3.771 26.638 ( -0.000 -0.800 14.101) 14.124 ======================= Grid point 74 (41/90) ======================= q-point: ( 0.34 -0.09 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 28.559 8.243 13.295) 32.562 3.011 ( 4.791 11.016 19.313) 22.744 3.403 ( 5.257 -2.763 -9.261) 11.001 3.597 ( 1.422 -11.538 -0.790) 11.652 3.939 ( -1.347 -16.254 1.586) 16.387 4.231 ( 2.737 13.629 -3.489) 14.333 4.410 ( 1.412 14.984 21.807) 26.496 4.559 ( 2.830 6.399 -13.809) 15.481 4.746 ( 1.008 7.288 3.978) 8.364 4.917 ( -5.936 -3.522 -6.202) 9.279 5.605 ( -4.949 -4.396 3.147) 7.330 5.949 ( -2.923 3.680 5.247) 7.044 6.910 ( 2.779 -1.773 -8.129) 8.772 6.967 ( 0.563 3.862 -3.440) 5.202 7.176 ( 0.915 -0.894 -0.198) 1.294 7.623 ( 0.804 4.522 3.344) 5.681 7.775 ( -3.361 6.809 10.292) 12.790 8.326 ( -3.050 -1.691 5.583) 6.582 8.445 ( -1.307 -10.802 -2.631) 11.195 8.952 ( -3.732 -8.515 1.890) 9.487 10.142 ( 4.437 1.504 9.519) 10.610 10.775 ( -1.252 -15.178 3.233) 15.569 11.756 ( -0.160 8.077 -12.701) 15.052 12.377 ( -3.990 1.519 -7.250) 8.413 12.516 ( 6.460 6.000 -8.181) 12.028 13.270 ( -2.776 -5.423 -11.956) 13.419 14.549 ( 2.148 5.792 15.162) 16.372 15.060 ( -4.963 -5.681 17.923) 19.446 22.587 ( 1.028 -0.042 1.858) 2.124 22.903 ( -5.510 -8.646 2.620) 10.582 23.743 ( 6.757 0.240 -5.880) 8.961 24.151 ( 9.120 -0.998 -12.635) 15.615 24.965 ( 0.433 1.386 -10.737) 10.835 25.417 ( 0.651 -0.629 0.672) 1.127 25.546 ( -1.362 -2.110 -1.841) 3.114 26.593 ( -8.827 6.088 12.429) 16.415 ======================= Grid point 75 (42/90) ======================= q-point: ( 0.34 -0.09 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( 12.359 -12.358 8.398) 19.391 2.890 ( 10.576 -10.577 6.087) 16.148 3.331 ( 5.468 -5.468 21.827) 23.156 3.456 ( 2.957 -2.957 -7.137) 8.272 3.801 ( 8.810 -8.810 -13.630) 18.466 4.426 ( -1.858 1.858 6.800) 7.290 4.594 ( -2.854 2.854 2.536) 4.767 4.639 ( -3.614 3.614 -2.181) 5.557 4.661 ( -1.134 1.134 -8.062) 8.220 5.049 ( -8.565 8.565 1.261) 12.179 5.426 ( -0.312 0.312 4.196) 4.220 5.957 ( -5.452 5.452 6.544) 10.114 6.924 ( 2.967 -2.967 -5.922) 7.257 7.005 ( 0.202 -0.202 -5.002) 5.010 7.176 ( 0.497 -0.497 -0.850) 1.102 7.712 ( 0.700 -0.700 -3.148) 3.300 7.871 ( -9.793 9.793 14.618) 20.137 8.097 ( 0.538 -0.538 -3.602) 3.682 8.465 ( 0.663 -0.663 6.134) 6.205 8.767 ( 0.687 -0.687 5.573) 5.657 10.263 ( 3.486 -3.486 4.571) 6.723 10.526 ( 7.147 -7.147 8.725) 13.352 11.860 ( -5.448 5.448 -13.616) 15.644 12.338 ( -3.683 3.683 -5.784) 7.784 12.681 ( 4.961 -4.961 -12.969) 14.745 13.155 ( -1.791 1.791 -8.404) 8.777 14.698 ( -0.087 0.087 11.802) 11.802 14.882 ( -2.313 2.313 20.667) 20.924 22.646 ( 0.827 -0.827 0.084) 1.172 22.697 ( 1.152 -1.152 3.547) 3.903 23.826 ( 4.032 -4.032 -9.432) 11.022 24.234 ( 9.994 -9.994 -4.329) 14.782 24.988 ( -0.604 0.604 -11.389) 11.421 25.426 ( 0.329 -0.329 -1.647) 1.711 25.500 ( -1.034 1.034 -0.736) 1.637 26.559 ( -10.384 10.384 11.636) 18.736 ======================= Grid point 81 (43/90) ======================= q-point: ( 0.47 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -0.000 5.814 14.325) 15.460 3.010 ( 0.000 -1.333 -14.580) 14.641 3.365 ( 0.000 8.919 13.874) 16.493 3.590 ( -0.000 -10.963 -0.287) 10.967 3.968 ( -0.000 -19.527 0.705) 19.540 4.113 ( 0.000 9.400 -4.049) 10.235 4.256 ( 0.000 3.175 -10.274) 10.753 4.739 ( -0.000 0.864 5.353) 5.422 4.880 ( 0.000 11.708 1.261) 11.776 4.969 ( -0.000 2.898 14.424) 14.712 5.717 ( -0.000 -2.711 2.054) 3.402 6.042 ( 0.000 3.760 1.598) 4.086 6.687 ( 0.000 -0.811 -8.423) 8.462 6.907 ( 0.000 2.165 -2.248) 3.121 7.116 ( -0.000 -2.658 -3.526) 4.415 7.621 ( -0.000 -1.250 -1.025) 1.616 7.983 ( 0.000 3.648 3.937) 5.367 8.453 ( -0.000 -5.648 1.213) 5.777 8.459 ( -0.000 2.453 5.570) 6.086 9.036 ( -0.000 -3.653 2.303) 4.319 10.319 ( -0.000 0.639 9.386) 9.408 10.849 ( -0.000 -11.758 2.656) 12.054 11.530 ( 0.000 7.771 -7.714) 10.949 12.238 ( 0.000 0.342 -8.180) 8.187 12.339 ( 0.000 1.544 -4.116) 4.396 13.109 ( 0.000 -1.910 -6.126) 6.417 14.777 ( -0.000 3.727 8.666) 9.433 15.421 ( -0.000 -2.933 11.426) 11.796 22.622 ( -0.000 -0.614 1.984) 2.077 23.065 ( -0.000 -11.372 6.434) 13.066 23.612 ( 0.000 1.349 -2.312) 2.677 23.726 ( 0.000 6.173 -15.193) 16.400 24.786 ( 0.000 -0.077 -5.752) 5.752 25.422 ( -0.000 -1.421 0.373) 1.469 25.537 ( -0.000 -1.161 -0.272) 1.193 26.875 ( 0.000 4.401 5.882) 7.347 ======================= Grid point 82 (44/90) ======================= q-point: (-0.53 -0.10 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 25.279 4.521 9.930) 27.533 3.072 ( 7.736 -1.156 -14.184) 16.198 3.160 ( -2.952 -29.488 8.724) 30.893 3.361 ( 3.434 -12.832 -13.451) 18.905 3.717 ( 0.632 0.344 18.435) 18.449 4.280 ( -0.157 3.339 -15.350) 15.710 4.351 ( 2.964 4.570 -10.153) 11.522 4.664 ( -1.417 -4.396 -2.035) 5.048 4.998 ( 1.255 -0.569 14.560) 14.625 5.200 ( -2.260 15.602 4.075) 16.283 5.593 ( -5.433 -2.441 3.658) 6.990 6.117 ( -2.177 4.768 1.348) 5.412 6.691 ( 3.753 -2.875 -8.539) 9.761 6.897 ( -2.211 -0.258 -5.988) 6.388 7.118 ( 2.912 -0.667 -0.582) 3.044 7.616 ( 0.548 -0.579 -3.018) 3.121 7.919 ( 2.212 -6.996 -5.378) 9.097 8.387 ( -9.076 7.681 12.587) 17.315 8.621 ( 0.969 8.170 7.788) 11.329 8.935 ( -2.996 -2.445 6.442) 7.513 10.336 ( 0.801 0.245 7.143) 7.192 10.600 ( 2.374 -10.849 6.140) 12.690 11.709 ( -1.446 7.495 -7.438) 10.657 12.229 ( -0.982 0.325 -8.439) 8.503 12.356 ( 4.060 -3.825 -8.667) 10.307 13.085 ( -1.769 1.254 -2.871) 3.598 14.879 ( 0.563 3.948 7.599) 8.582 15.331 ( -4.305 0.091 14.320) 14.953 22.624 ( 1.194 0.202 1.373) 1.830 22.816 ( -1.593 -7.775 5.857) 9.864 23.606 ( -0.581 0.659 -7.879) 7.928 23.912 ( 10.196 -3.963 -6.310) 12.628 24.799 ( 1.316 -0.607 -6.275) 6.441 25.394 ( 0.290 -1.295 -0.450) 1.401 25.524 ( -1.063 0.896 0.586) 1.509 26.922 ( -7.369 8.154 5.576) 12.323 ======================= Grid point 86 (45/90) ======================= q-point: ( 0.47 -0.10 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -13.759 13.759 18.365) 26.756 2.879 ( -19.517 19.517 13.866) 30.888 3.375 ( -9.390 9.390 -4.938) 14.167 3.598 ( -6.286 6.286 -10.424) 13.699 3.869 ( 1.768 -1.768 2.573) 3.588 3.891 ( -6.120 6.120 5.749) 10.390 4.245 ( -6.050 6.050 -2.408) 8.888 4.547 ( -8.029 8.029 31.957) 33.914 4.864 ( -4.429 4.429 6.749) 9.208 5.133 ( 13.009 -13.009 -4.814) 19.018 5.626 ( 2.698 -2.698 -1.734) 4.192 5.993 ( 3.649 -3.649 3.930) 6.487 6.738 ( -3.890 3.890 -9.617) 11.080 6.800 ( -4.644 4.644 0.748) 6.610 7.343 ( 0.661 -0.661 -2.466) 2.637 7.430 ( 0.058 -0.058 5.794) 5.794 7.844 ( 0.690 -0.690 0.561) 1.126 8.507 ( 11.313 -11.313 -3.498) 16.377 8.706 ( 4.813 -4.813 0.103) 6.807 9.102 ( 6.526 -6.526 -5.965) 10.989 10.335 ( -2.347 2.347 7.254) 7.977 10.716 ( -4.145 4.145 -0.204) 5.865 11.824 ( 1.657 -1.657 -9.661) 9.941 12.082 ( 2.198 -2.198 -3.357) 4.575 12.290 ( -7.318 7.318 1.308) 10.431 13.179 ( 4.186 -4.186 -10.180) 11.776 14.784 ( 2.168 -2.168 11.800) 12.192 15.390 ( 5.977 -5.977 5.943) 10.333 22.611 ( 0.390 -0.390 1.155) 1.280 23.059 ( 7.445 -7.445 -1.910) 10.700 23.509 ( -11.066 11.066 -9.714) 18.419 23.945 ( -5.611 5.611 -0.636) 7.961 24.900 ( -6.331 6.331 -3.297) 9.540 25.488 ( -0.405 0.405 -4.518) 4.554 25.580 ( 0.262 -0.262 -1.931) 1.966 26.621 ( 12.877 -12.877 9.465) 20.523 ======================= Grid point 88 (46/90) ======================= q-point: (-0.39 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( 0.000 -1.332 -11.474) 11.551 2.864 ( -0.000 1.594 4.461) 4.738 2.982 ( -0.000 -24.775 -16.983) 30.037 3.417 ( -0.000 -21.792 9.038) 23.592 3.947 ( 0.000 7.637 2.889) 8.165 3.948 ( 0.000 -6.309 -14.632) 15.934 4.162 ( 0.000 3.597 -5.683) 6.725 4.700 ( -0.000 -8.876 5.152) 10.263 4.938 ( 0.000 -4.444 -17.662) 18.213 5.301 ( 0.000 15.802 2.675) 16.027 5.720 ( -0.000 -1.251 2.452) 2.753 6.123 ( 0.000 4.087 -2.155) 4.621 6.523 ( -0.000 -3.593 -1.978) 4.102 6.837 ( 0.000 -1.783 -4.859) 5.175 7.131 ( -0.000 3.213 6.810) 7.530 7.633 ( -0.000 0.593 4.696) 4.734 7.771 ( -0.000 -9.834 -6.483) 11.779 8.704 ( 0.000 9.463 3.330) 10.031 8.726 ( 0.000 9.298 8.707) 12.738 9.102 ( -0.000 1.592 7.169) 7.343 10.419 ( 0.000 -0.081 -1.001) 1.004 10.642 ( -0.000 -11.232 0.584) 11.247 11.652 ( 0.000 7.905 1.371) 8.022 12.129 ( -0.000 -0.871 -1.073) 1.382 12.179 ( -0.000 -5.083 -4.680) 6.909 13.114 ( 0.000 2.626 4.044) 4.822 14.965 ( 0.000 6.509 0.481) 6.527 15.573 ( -0.000 1.314 4.562) 4.748 22.646 ( -0.000 -0.094 0.968) 0.973 22.965 ( -0.000 -13.019 7.853) 15.204 23.580 ( 0.000 3.127 -8.207) 8.783 23.588 ( 0.000 0.437 -1.811) 1.863 24.710 ( -0.000 -0.961 -0.394) 1.038 25.402 ( -0.000 -1.738 1.661) 2.404 25.559 ( 0.000 0.937 1.706) 1.947 27.055 ( 0.000 7.933 -0.684) 7.963 ======================= Grid point 89 (47/90) ======================= q-point: (-0.39 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 11.479 -11.479 -16.691) 23.283 2.474 ( 13.969 -13.969 -14.940) 24.768 2.993 ( 3.203 -3.203 6.509) 7.930 3.074 ( 6.416 -6.416 7.875) 12.014 3.873 ( 5.517 -5.517 -18.281) 19.876 4.052 ( -5.091 5.091 3.036) 7.814 4.224 ( -1.590 1.590 -9.730) 9.986 4.585 ( 6.755 -6.755 6.866) 11.765 4.875 ( 4.000 -4.000 -22.890) 23.578 5.513 ( -8.114 8.114 2.750) 11.800 5.659 ( -1.639 1.639 3.581) 4.265 6.172 ( -1.935 1.935 -2.626) 3.793 6.492 ( 3.471 -3.471 -2.263) 5.405 6.796 ( -0.732 0.732 -5.944) 6.033 7.237 ( -1.426 1.426 11.562) 11.737 7.528 ( -0.041 0.041 -3.734) 3.734 7.722 ( 4.985 -4.985 1.562) 7.221 8.781 ( -6.877 6.877 6.807) 11.871 8.859 ( -3.220 3.220 3.484) 5.734 9.114 ( -2.333 2.333 11.568) 12.029 10.408 ( -0.274 0.274 -1.267) 1.324 10.522 ( 4.828 -4.828 -0.369) 6.837 11.742 ( -1.027 1.027 0.660) 1.595 12.105 ( -0.042 0.042 -2.446) 2.446 12.137 ( 2.570 -2.570 -3.560) 5.088 13.142 ( -1.583 1.583 4.658) 5.168 15.052 ( -3.732 3.732 2.509) 5.844 15.575 ( -2.626 2.626 5.544) 6.673 22.643 ( -0.114 0.114 0.489) 0.515 22.805 ( 6.502 -6.502 6.421) 11.215 23.502 ( -3.800 3.800 -5.661) 7.806 23.722 ( 5.662 -5.662 -3.013) 8.555 24.706 ( 1.106 -1.106 -0.725) 1.723 25.380 ( 0.944 -0.944 1.821) 2.258 25.570 ( -0.797 0.797 1.612) 1.966 27.137 ( -6.760 6.760 -0.089) 9.560 ======================= Grid point 92 (48/90) ======================= q-point: ( 0.61 -0.11 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -5.188 16.490 13.564) 21.973 3.169 ( 4.246 24.360 -10.239) 26.763 3.508 ( -10.058 6.300 5.256) 12.980 3.648 ( -2.446 -2.236 -4.435) 5.536 3.986 ( -16.817 1.373 0.403) 16.878 4.012 ( 0.375 -1.760 3.075) 3.563 4.299 ( 4.599 5.105 0.539) 6.892 4.737 ( 9.251 -7.980 -3.360) 12.670 4.990 ( -0.893 2.441 -2.267) 3.449 5.108 ( -0.603 2.437 7.161) 7.589 5.586 ( -1.364 -2.246 -1.219) 2.897 5.967 ( 3.107 -4.756 0.692) 5.723 6.733 ( -2.700 4.700 1.192) 5.549 6.874 ( -1.787 3.323 -0.028) 3.773 7.206 ( 1.005 3.476 -2.593) 4.452 7.597 ( -3.906 -0.458 3.383) 5.188 7.899 ( 2.423 -1.689 2.313) 3.752 8.190 ( 4.473 -14.573 -4.897) 16.011 8.599 ( 3.467 2.029 -1.185) 4.188 8.935 ( 1.278 -6.171 -1.976) 6.604 10.437 ( -0.655 2.794 0.118) 2.872 10.798 ( -2.289 -4.193 0.292) 4.785 11.628 ( 1.522 6.433 -2.853) 7.200 12.060 ( 0.502 -4.088 1.732) 4.468 12.459 ( -3.926 7.890 2.041) 9.046 12.974 ( 2.387 -4.523 -1.825) 5.430 14.897 ( 0.840 2.217 1.471) 2.790 15.332 ( 2.138 -8.721 -1.801) 9.158 22.629 ( 0.044 0.283 0.494) 0.571 22.910 ( 1.073 -8.625 -2.745) 9.114 23.586 ( -3.736 9.281 1.040) 10.059 24.002 ( 0.277 3.358 1.972) 3.904 25.019 ( -5.201 16.469 -0.025) 17.270 25.440 ( -0.697 0.479 -0.997) 1.308 25.520 ( 0.150 -0.929 -1.953) 2.167 26.520 ( 6.952 -17.946 1.714) 19.321 ======================= Grid point 95 (49/90) ======================= q-point: (-0.26 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 -2.810 -23.494) 23.661 2.032 ( -0.000 -25.918 -21.881) 33.919 3.066 ( -0.000 2.710 6.419) 6.967 3.240 ( -0.000 -11.292 7.488) 13.550 3.448 ( -0.000 -11.074 -14.046) 17.887 3.964 ( 0.000 0.346 -29.594) 29.596 4.125 ( 0.000 1.011 -1.041) 1.451 4.167 ( 0.000 -4.423 -19.225) 19.727 4.583 ( -0.000 -7.244 -4.067) 8.308 5.643 ( 0.000 9.338 2.638) 9.703 5.745 ( -0.000 -0.176 0.696) 0.718 6.114 ( 0.000 1.710 -4.433) 4.751 6.563 ( -0.000 -2.566 13.581) 13.822 6.662 ( 0.000 -2.864 -6.842) 7.418 7.359 ( 0.000 8.137 -0.265) 8.142 7.513 ( -0.000 -4.300 -4.169) 5.989 7.892 ( -0.000 1.565 19.352) 19.415 8.912 ( 0.000 5.655 1.154) 5.771 8.938 ( 0.000 2.924 1.178) 3.152 9.401 ( -0.000 5.426 11.874) 13.055 10.274 ( 0.000 -0.598 -11.712) 11.727 10.365 ( -0.000 -9.330 -7.941) 12.252 11.766 ( -0.000 -3.007 2.348) 3.815 12.133 ( 0.000 2.601 5.100) 5.725 12.175 ( -0.000 -0.963 7.008) 7.074 13.323 ( -0.000 1.861 11.626) 11.774 15.111 ( 0.000 10.888 -2.816) 11.246 15.615 ( 0.000 2.209 -4.993) 5.460 22.651 ( 0.000 0.210 -0.716) 0.746 22.812 ( -0.000 -14.155 4.341) 14.805 23.540 ( 0.000 2.489 -1.778) 3.059 23.566 ( -0.000 -0.181 -0.360) 0.403 24.744 ( -0.000 -0.888 5.764) 5.832 25.441 ( -0.000 -1.214 5.494) 5.626 25.605 ( 0.000 0.480 0.772) 0.909 27.163 ( 0.000 8.158 -5.404) 9.785 ======================= Grid point 98 (50/90) ======================= q-point: (-0.26 -0.12 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.771 ( 8.076 22.077 -14.773) 27.765 3.236 ( 10.718 15.636 -6.656) 20.091 3.482 ( 3.027 11.977 4.749) 13.234 3.680 ( -2.182 -2.933 -0.550) 3.697 3.979 ( 8.466 2.590 1.178) 8.931 4.032 ( 11.712 0.928 2.801) 12.078 4.340 ( 1.012 5.551 5.251) 7.708 4.702 ( 5.660 4.686 -26.397) 27.401 4.822 ( -14.205 -9.852 4.451) 17.851 4.942 ( 3.473 2.032 -9.528) 10.343 5.595 ( -1.046 -3.319 -0.324) 3.495 5.922 ( -2.084 -5.042 -3.543) 6.505 6.810 ( 2.830 4.762 8.211) 9.905 6.906 ( 4.210 5.092 1.753) 6.835 7.259 ( -4.784 2.846 1.238) 5.703 7.524 ( 7.261 -4.440 -4.239) 9.508 7.830 ( -1.036 -0.422 -3.702) 3.867 8.281 ( -9.077 -13.162 3.120) 16.290 8.599 ( -5.014 0.599 -0.623) 5.088 8.974 ( -5.427 -6.835 2.102) 8.977 10.376 ( 1.357 4.731 -5.579) 7.440 10.798 ( 2.786 -4.223 0.953) 5.149 11.714 ( -6.915 6.327 5.039) 10.641 12.092 ( 2.293 -6.295 4.435) 8.035 12.449 ( 7.183 8.704 1.120) 11.340 13.080 ( -5.004 -4.953 8.659) 11.160 14.777 ( 1.605 2.114 -10.275) 10.613 15.276 ( -4.882 -8.330 -7.245) 12.072 22.614 ( 0.561 0.172 -0.946) 1.113 22.928 ( -5.347 -8.770 -0.739) 10.299 23.689 ( 4.951 10.255 10.879) 15.749 24.031 ( 4.035 4.433 4.604) 7.558 25.019 ( 3.926 12.994 0.461) 13.582 25.479 ( -1.202 1.172 2.747) 3.220 25.555 ( -3.066 0.364 1.083) 3.272 26.427 ( -3.699 -18.397 -7.509) 20.212 ======================= Grid point 99 (51/90) ======================= q-point: (-0.26 -0.12 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( -2.517 2.517 -3.513) 5.001 3.301 ( -1.416 1.416 -9.775) 9.978 3.702 ( -8.675 8.675 -1.417) 12.350 3.771 ( -2.335 2.335 1.305) 3.550 4.063 ( -11.302 11.302 1.994) 16.108 4.141 ( -1.684 1.684 10.407) 10.677 4.398 ( 3.215 -3.215 3.799) 5.924 4.484 ( 9.584 -9.584 2.048) 13.708 4.854 ( -0.538 0.538 -12.787) 12.810 4.972 ( 3.541 -3.541 -17.413) 18.119 5.575 ( -4.513 4.513 -3.589) 7.322 5.815 ( 6.251 -6.251 -3.614) 9.550 6.923 ( -3.137 3.137 7.008) 8.293 6.989 ( -0.792 0.792 5.933) 6.038 7.261 ( -6.031 6.031 -3.036) 9.053 7.635 ( 8.835 -8.835 -3.961) 13.107 7.773 ( -0.948 0.948 -1.619) 2.102 7.944 ( 4.454 -4.454 2.613) 6.820 8.629 ( -3.459 3.459 -1.531) 5.126 8.781 ( 3.263 -3.263 -1.923) 4.999 10.494 ( -4.659 4.659 -1.745) 6.816 10.701 ( 4.022 -4.022 -0.782) 5.741 11.741 ( -6.519 6.519 1.400) 9.324 12.032 ( 6.112 -6.112 4.050) 9.545 12.700 ( -5.469 5.469 6.454) 10.074 12.897 ( 4.085 -4.085 4.639) 7.409 14.907 ( -2.088 2.088 -6.445) 7.089 15.050 ( 4.480 -4.480 -9.951) 11.797 22.661 ( -0.986 0.986 0.386) 1.447 22.734 ( 2.372 -2.372 -2.222) 4.024 23.857 ( -6.728 6.728 8.585) 12.816 24.104 ( 4.276 -4.276 10.102) 11.774 25.370 ( -13.977 13.977 -6.425) 20.784 25.429 ( -0.519 0.519 -0.778) 1.069 25.478 ( -2.786 2.786 2.711) 4.782 26.130 ( 16.892 -16.892 -2.651) 24.036 ======================= Grid point 103 (52/90) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 0.000 -27.744) 27.744 1.203 ( 0.000 0.000 -27.744) 27.744 2.787 ( 0.000 0.000 -63.604) 63.604 2.964 ( 0.000 0.000 -14.019) 14.019 3.266 ( -0.000 -0.000 5.096) 5.096 3.266 ( -0.000 -0.000 5.096) 5.096 4.217 ( -0.000 -0.000 9.724) 9.724 4.217 ( -0.000 -0.000 9.724) 9.724 4.284 ( 0.000 0.000 -15.200) 15.200 5.711 ( 0.000 0.000 -4.355) 4.355 5.711 ( 0.000 0.000 -4.355) 4.355 6.037 ( 0.000 0.000 -4.357) 4.357 6.493 ( 0.000 0.000 -5.832) 5.832 6.913 ( -0.000 -0.000 20.142) 20.142 7.406 ( 0.000 0.000 -2.890) 2.890 7.406 ( 0.000 0.000 -2.890) 2.890 8.391 ( -0.000 -0.000 21.359) 21.359 8.965 ( 0.000 0.000 -0.731) 0.731 8.965 ( 0.000 0.000 -0.731) 0.731 9.680 ( -0.000 -0.000 8.918) 8.918 9.993 ( 0.000 0.000 -13.702) 13.702 9.993 ( 0.000 0.000 -13.702) 13.702 11.746 ( -0.000 -0.000 1.228) 1.228 12.333 ( -0.000 -0.000 8.694) 8.694 12.333 ( -0.000 -0.000 8.694) 8.694 13.647 ( -0.000 -0.000 18.337) 18.337 15.257 ( 0.000 0.000 -0.208) 0.208 15.442 ( 0.000 0.000 -14.507) 14.507 22.624 ( 0.000 0.000 -2.006) 2.006 22.624 ( 0.000 0.000 -2.006) 2.006 23.571 ( -0.000 -0.000 1.065) 1.065 23.571 ( -0.000 -0.000 1.065) 1.065 24.901 ( -0.000 -0.000 10.343) 10.343 25.574 ( -0.000 -0.000 8.776) 8.776 25.598 ( 0.000 0.000 -2.144) 2.144 27.141 ( 0.000 0.000 -7.175) 7.175 ======================= Grid point 105 (53/90) ======================= q-point: (-0.13 -0.12 0.41) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 16.844 16.844 -16.132) 28.770 2.603 ( 22.466 22.466 -13.306) 34.445 3.370 ( 11.772 11.772 -11.448) 20.205 3.670 ( 14.775 14.775 -16.284) 26.491 3.736 ( -3.911 -3.911 0.904) 5.605 3.846 ( 7.506 7.506 2.124) 10.826 4.000 ( 9.440 9.440 -12.027) 17.968 4.427 ( 4.447 4.447 13.079) 14.513 4.693 ( 3.390 3.390 -6.523) 8.096 5.212 ( -11.822 -11.822 1.877) 16.825 5.656 ( -4.141 -4.141 1.766) 6.117 5.907 ( -3.777 -3.777 -4.293) 6.852 6.786 ( 6.308 6.308 -0.367) 8.928 6.972 ( 1.624 1.624 11.695) 11.918 7.304 ( 0.578 0.578 -5.286) 5.349 7.311 ( -1.041 -1.041 -5.858) 6.040 7.785 ( -4.122 -4.122 -7.620) 9.594 8.537 ( -10.621 -10.621 -0.103) 15.021 8.699 ( -5.334 -5.334 -0.450) 7.558 9.223 ( -8.893 -8.893 5.832) 13.863 10.160 ( 4.597 4.597 -9.123) 11.202 10.799 ( 4.628 4.628 9.250) 11.331 11.986 ( -5.782 -5.782 3.934) 9.075 12.188 ( -3.401 -3.401 6.241) 7.879 12.289 ( 10.494 10.494 2.336) 15.023 13.446 ( -5.190 -5.190 16.205) 17.790 14.456 ( -0.556 -0.556 -20.293) 20.308 15.183 ( -6.119 -6.119 -14.313) 16.726 22.587 ( -0.145 -0.145 -1.222) 1.239 23.057 ( -8.076 -8.076 -0.716) 11.443 23.856 ( 12.017 12.017 23.704) 29.167 23.976 ( 7.630 7.630 1.919) 10.960 25.004 ( 3.368 3.368 7.130) 8.575 25.592 ( 0.297 0.297 -1.066) 1.146 25.593 ( -1.006 -1.006 5.555) 5.734 26.352 ( -12.501 -12.501 -17.495) 24.872 ======================= Grid point 106 (54/90) ======================= q-point: (-0.13 -0.12 0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.866 ( 14.142 14.142 -11.189) 22.917 3.333 ( -2.747 -2.747 -12.146) 12.753 3.500 ( 9.632 9.632 -1.280) 13.682 3.876 ( 6.288 6.288 0.728) 8.922 4.039 ( 3.488 3.488 -1.641) 5.198 4.254 ( 7.682 7.682 4.137) 11.625 4.306 ( 9.733 9.733 -20.186) 24.432 4.614 ( 1.699 1.699 13.061) 13.280 4.645 ( -12.816 -12.816 4.326) 18.634 4.713 ( -4.393 -4.393 -7.105) 9.438 5.524 ( 0.382 0.382 -4.691) 4.722 5.700 ( -5.948 -5.948 -5.654) 10.135 7.047 ( 1.936 1.936 5.583) 6.218 7.054 ( 4.295 4.295 0.656) 6.110 7.287 ( -0.092 -0.092 -3.795) 3.797 7.311 ( 0.537 0.537 -6.965) 7.006 7.759 ( 2.595 2.595 -4.886) 6.111 8.055 ( -11.359 -11.359 0.445) 16.071 8.606 ( 2.037 2.037 -0.576) 2.938 8.850 ( -8.586 -8.586 1.619) 12.249 10.418 ( 7.791 7.791 -3.741) 11.636 10.742 ( -6.501 -6.501 3.208) 9.737 11.884 ( 1.538 1.538 1.228) 2.498 12.026 ( -4.261 -4.261 3.866) 7.160 12.756 ( 11.207 11.207 8.791) 18.124 13.166 ( -8.494 -8.494 13.212) 17.857 14.598 ( 6.186 6.186 -14.936) 17.310 14.893 ( -7.598 -7.598 -13.948) 17.607 22.621 ( 2.081 2.081 -0.524) 2.990 22.773 ( -5.406 -5.406 -0.325) 7.652 24.189 ( 4.339 4.339 18.726) 19.706 24.216 ( 3.004 3.004 9.644) 10.539 25.231 ( 7.547 7.547 -1.195) 10.740 25.501 ( -4.000 -4.000 0.195) 5.660 25.636 ( 2.298 2.298 -1.121) 3.438 25.871 ( -9.875 -9.875 -10.487) 17.465 ======================= Grid point 118 (55/90) ======================= q-point: ( 0.14 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( -0.000 16.574 0.000) 16.574 1.357 ( -0.000 30.755 0.000) 30.755 2.309 ( -0.000 50.600 0.000) 50.600 3.156 ( -0.000 18.383 0.000) 18.383 3.542 ( -0.000 9.688 0.000) 9.688 3.765 ( 0.000 -4.299 -0.000) 4.299 3.774 ( -0.000 17.091 0.000) 17.091 4.676 ( 0.000 -3.934 -0.000) 3.934 4.822 ( -0.000 7.869 0.000) 7.869 5.390 ( 0.000 -2.262 -0.000) 2.262 5.892 ( 0.000 -2.359 -0.000) 2.359 6.173 ( 0.000 -16.205 -0.000) 16.205 6.594 ( -0.000 10.267 0.000) 10.267 6.857 ( -0.000 1.151 0.000) 1.151 7.231 ( 0.000 -1.831 -0.000) 1.831 7.299 ( 0.000 -3.460 -0.000) 3.460 7.363 ( -0.000 1.176 0.000) 1.176 8.693 ( 0.000 -13.394 -0.000) 13.394 8.840 ( 0.000 -4.703 -0.000) 4.703 9.601 ( 0.000 -12.044 -0.000) 12.044 9.723 ( -0.000 2.145 0.000) 2.145 11.595 ( -0.000 10.336 0.000) 10.336 11.774 ( 0.000 -25.533 -0.000) 25.533 12.151 ( -0.000 14.811 0.000) 14.811 12.572 ( -0.000 1.488 0.000) 1.488 13.518 ( -0.000 11.026 0.000) 11.026 14.284 ( 0.000 -6.653 -0.000) 6.653 14.653 ( 0.000 -3.555 -0.000) 3.555 22.553 ( 0.000 -0.658 -0.000) 0.658 23.359 ( 0.000 -9.671 -0.000) 9.671 23.638 ( -0.000 1.493 0.000) 1.493 24.885 ( -0.000 15.374 0.000) 15.374 25.022 ( 0.000 -12.920 -0.000) 12.920 25.396 ( -0.000 0.229 0.000) 0.229 25.755 ( 0.000 -1.762 -0.000) 1.762 25.971 ( -0.000 1.494 0.000) 1.494 ======================= Grid point 119 (56/90) ======================= q-point: ( 0.14 -0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 42.629 10.116 -0.000) 43.813 2.037 ( 8.108 24.660 0.000) 25.958 3.215 ( 0.777 29.381 0.000) 29.392 3.577 ( 10.537 10.937 0.000) 15.187 3.652 ( -4.211 3.650 0.000) 5.573 3.906 ( 5.006 15.817 0.000) 16.590 4.094 ( 1.842 5.001 0.000) 5.329 4.562 ( 4.278 -4.488 -0.000) 6.200 5.029 ( 0.117 11.247 0.000) 11.247 5.216 ( -10.297 -4.523 0.000) 11.247 5.727 ( -4.447 -15.925 -0.000) 16.534 5.820 ( -3.098 -6.043 -0.000) 6.791 6.914 ( 6.423 10.394 0.000) 12.219 6.917 ( 1.214 3.253 0.000) 3.472 7.207 ( -1.589 -3.377 -0.000) 3.732 7.231 ( -2.960 3.887 0.000) 4.886 7.402 ( 1.087 4.039 0.000) 4.182 8.389 ( -2.713 -12.434 -0.000) 12.726 8.673 ( -4.428 -6.465 -0.000) 7.836 9.257 ( -5.119 -15.454 -0.000) 16.280 9.856 ( 7.936 3.095 -0.000) 8.518 11.207 ( -3.132 -25.250 -0.000) 25.444 11.817 ( -2.232 13.841 0.000) 14.020 12.506 ( -8.607 1.608 0.000) 8.756 12.561 ( 8.800 15.263 0.000) 17.618 13.753 ( 5.786 2.242 -0.000) 6.206 14.097 ( -4.446 -4.674 -0.000) 6.451 14.538 ( -2.435 -4.912 -0.000) 5.483 22.546 ( 0.831 -0.282 -0.000) 0.878 23.050 ( -7.279 -8.953 -0.000) 11.538 23.835 ( 13.280 1.318 -0.000) 13.345 24.795 ( 6.436 -17.618 -0.000) 18.757 25.206 ( -0.771 15.027 0.000) 15.046 25.422 ( 0.765 2.126 0.000) 2.260 25.680 ( -2.847 -2.237 0.000) 3.620 25.899 ( -9.640 2.891 0.000) 10.064 ======================= Grid point 120 (57/90) ======================= q-point: ( 0.14 -0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 37.895 6.228 -0.000) 38.403 2.644 ( 8.523 16.687 0.000) 18.738 3.202 ( -5.097 -7.133 -0.000) 8.767 3.633 ( -3.663 -31.260 -0.000) 31.474 4.023 ( 13.937 4.256 -0.000) 14.573 4.032 ( 1.223 17.382 0.000) 17.425 4.404 ( 1.607 15.710 0.000) 15.792 4.806 ( -15.081 -7.848 0.000) 17.001 4.852 ( 7.926 12.528 0.000) 14.825 5.280 ( 1.045 12.856 0.000) 12.898 5.285 ( -8.638 -12.823 -0.000) 15.461 5.589 ( -9.426 -4.901 0.000) 10.624 7.010 ( 1.825 2.444 0.000) 3.050 7.096 ( -1.649 -2.109 -0.000) 2.678 7.189 ( 0.650 5.533 0.000) 5.571 7.236 ( -4.192 4.069 0.000) 5.842 7.653 ( 5.845 12.436 0.000) 13.741 8.057 ( -10.403 -8.210 0.000) 13.253 8.539 ( 4.421 -1.451 -0.000) 4.653 8.814 ( -5.946 -14.519 -0.000) 15.690 10.174 ( 15.695 3.892 -0.000) 16.171 10.644 ( -4.074 -21.656 -0.000) 22.036 12.068 ( -1.825 14.341 0.000) 14.457 12.315 ( -12.578 1.494 0.000) 12.667 13.090 ( 13.486 12.734 -0.000) 18.548 13.587 ( -6.827 -13.716 -0.000) 15.322 14.146 ( 4.073 6.150 0.000) 7.377 14.360 ( -4.370 -5.495 -0.000) 7.021 22.597 ( 3.282 1.652 -0.000) 3.674 22.762 ( -4.805 -6.409 -0.000) 8.011 24.176 ( 18.176 -0.572 -0.000) 18.185 24.523 ( 4.309 -19.781 -0.000) 20.244 25.422 ( 1.057 6.017 0.000) 6.109 25.550 ( -2.146 11.330 0.000) 11.531 25.558 ( -3.657 -2.834 0.000) 4.627 25.737 ( -12.969 4.354 0.000) 13.680 ======================= Grid point 125 (58/90) ======================= q-point: ( 0.28 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 0.000 12.733 14.795) 19.519 2.179 ( 0.000 22.468 20.221) 30.227 3.409 ( 0.000 34.205 19.065) 39.160 3.420 ( 0.000 7.924 -4.425) 9.076 3.746 ( -0.000 -3.720 4.064) 5.510 3.849 ( 0.000 19.530 0.236) 19.532 4.075 ( 0.000 7.530 -0.206) 7.533 4.537 ( -0.000 -5.050 2.372) 5.579 4.721 ( 0.000 8.099 -19.838) 21.428 5.527 ( -0.000 -14.766 -18.222) 23.454 5.552 ( -0.000 -0.111 11.460) 11.461 5.867 ( -0.000 -2.096 2.951) 3.619 6.833 ( 0.000 11.122 -0.283) 11.125 7.009 ( -0.000 -0.125 3.438) 3.440 7.168 ( 0.000 -1.490 -4.377) 4.624 7.435 ( -0.000 -1.853 14.811) 14.926 7.465 ( 0.000 4.067 6.561) 7.720 8.434 ( -0.000 -12.653 1.917) 12.798 8.724 ( -0.000 -7.349 0.027) 7.349 9.271 ( -0.000 -14.574 -3.428) 14.972 9.859 ( -0.000 2.189 7.979) 8.274 11.126 ( -0.000 -11.700 -9.123) 14.836 11.830 ( 0.000 2.243 -2.805) 3.592 12.360 ( 0.000 13.876 -7.202) 15.633 12.548 ( 0.000 1.502 -5.381) 5.587 13.726 ( -0.000 -7.847 -9.742) 12.509 14.082 ( -0.000 5.050 11.917) 12.943 14.856 ( -0.000 -6.477 20.046) 21.067 22.554 ( -0.000 -0.844 1.549) 1.764 23.151 ( -0.000 -10.538 0.717) 10.562 23.661 ( 0.000 2.125 -1.440) 2.567 24.418 ( 0.000 2.585 -24.271) 24.408 25.145 ( 0.000 4.769 -10.385) 11.427 25.379 ( -0.000 -1.819 3.578) 4.013 25.676 ( -0.000 -3.664 -2.837) 4.634 26.290 ( -0.000 1.621 19.564) 19.631 ======================= Grid point 126 (59/90) ======================= q-point: ( 0.28 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 34.803 9.391 7.847) 36.892 2.650 ( 5.517 15.941 14.185) 22.040 3.445 ( -5.998 -9.961 5.613) 12.911 3.661 ( 8.709 -3.602 -4.801) 10.577 3.821 ( 0.472 -16.645 9.927) 19.386 4.056 ( 0.951 15.767 5.772) 16.817 4.318 ( 3.401 18.745 -2.741) 19.247 4.712 ( 3.290 13.698 -0.258) 14.090 4.903 ( 0.348 6.687 -16.334) 17.653 5.090 ( -10.073 -9.788 -10.430) 17.494 5.521 ( -2.869 -4.137 5.567) 7.506 5.819 ( -3.582 0.911 6.933) 7.856 7.008 ( 0.829 -0.489 -0.241) 0.992 7.049 ( 0.330 5.512 -5.122) 7.532 7.156 ( 0.531 0.206 0.976) 1.130 7.477 ( -3.496 9.865 9.729) 14.290 7.606 ( 2.511 6.870 5.582) 9.201 8.221 ( -1.693 -5.482 4.043) 7.019 8.505 ( -2.563 -9.203 -2.446) 9.862 8.925 ( -3.733 -14.201 0.784) 14.705 9.980 ( 7.340 2.441 5.939) 9.752 10.721 ( -1.586 -20.843 1.850) 20.985 12.005 ( -1.944 12.439 -10.222) 16.217 12.494 ( -6.759 1.932 -4.313) 8.247 12.714 ( 8.195 9.871 -10.707) 16.710 13.529 ( -2.530 -9.089 -12.156) 15.387 14.230 ( 2.492 6.781 14.132) 15.871 14.677 ( -3.683 -6.824 18.714) 20.258 22.554 ( 1.727 -0.092 1.199) 2.105 22.870 ( -4.790 -8.971 0.820) 10.203 23.830 ( 10.642 0.770 -2.835) 11.040 24.364 ( 5.225 -11.693 -7.376) 14.780 25.271 ( -1.505 6.244 -18.820) 19.886 25.402 ( 0.617 3.188 0.314) 3.262 25.587 ( -1.572 -2.897 -1.868) 3.788 26.277 ( -7.995 6.236 18.487) 21.085 ======================= Grid point 127 (60/90) ======================= q-point: ( 0.28 -0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 12.936 -12.935 4.250) 18.781 2.855 ( 13.855 -13.855 -2.173) 19.714 2.948 ( 3.265 -3.265 13.701) 14.458 3.413 ( -0.484 0.484 13.676) 13.694 4.017 ( 5.948 -5.949 -7.131) 11.028 4.117 ( 4.987 -4.987 7.557) 10.337 4.685 ( -7.798 7.798 -5.069) 12.138 4.698 ( -6.458 6.458 -3.005) 9.615 4.970 ( -2.741 2.741 -13.996) 14.523 5.050 ( -4.998 4.998 -1.455) 7.216 5.367 ( -0.718 0.718 -0.154) 1.027 5.780 ( -5.559 5.559 11.045) 13.558 7.005 ( 1.464 -1.464 -2.500) 3.246 7.090 ( -1.144 1.144 -1.832) 2.444 7.178 ( -1.232 1.232 -1.637) 2.391 7.558 ( -7.149 7.149 13.895) 17.184 7.806 ( -1.644 1.644 -4.537) 5.097 8.069 ( -4.530 4.530 6.147) 8.879 8.434 ( 6.104 -6.104 -3.266) 9.229 8.654 ( 3.103 -3.103 5.706) 7.198 10.206 ( 5.570 -5.570 0.686) 7.906 10.357 ( 7.802 -7.802 7.491) 13.337 12.149 ( -7.546 7.546 -13.461) 17.178 12.407 ( -5.667 5.667 -0.689) 8.044 12.986 ( 4.503 -4.503 -17.134) 18.279 13.331 ( -0.427 0.427 -7.048) 7.073 14.438 ( 0.054 -0.054 13.059) 13.060 14.456 ( -0.530 0.530 19.307) 19.322 22.641 ( 1.386 -1.386 0.287) 1.981 22.650 ( 1.559 -1.559 1.309) 2.564 24.005 ( 6.229 -6.229 -8.147) 11.998 24.244 ( 10.994 -10.994 2.768) 15.792 25.319 ( -2.505 2.505 -18.875) 19.205 25.461 ( 0.349 -0.349 -1.592) 1.666 25.529 ( -3.342 3.342 -3.277) 5.751 26.254 ( -9.313 9.313 18.582) 22.777 ======================= Grid point 133 (61/90) ======================= q-point: ( 0.41 -0.16 0.16) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 8.719 16.930) 19.043 2.969 ( 0.000 12.438 21.484) 24.825 3.311 ( 0.000 0.541 -13.804) 13.815 3.607 ( -0.000 -14.785 0.809) 14.807 3.956 ( -0.000 -17.808 0.965) 17.834 4.198 ( 0.000 15.907 -4.367) 16.495 4.398 ( 0.000 15.411 25.661) 29.932 4.523 ( 0.000 7.607 -16.160) 17.861 4.729 ( 0.000 10.260 5.293) 11.545 4.987 ( -0.000 -6.180 -9.387) 11.238 5.658 ( -0.000 -3.647 4.011) 5.421 5.977 ( 0.000 3.871 4.938) 6.274 6.879 ( 0.000 -1.963 -9.133) 9.342 6.965 ( 0.000 5.477 -3.555) 6.530 7.164 ( -0.000 -0.918 -0.477) 1.035 7.613 ( -0.000 1.138 2.774) 2.998 7.815 ( 0.000 9.436 11.467) 14.850 8.333 ( -0.000 -2.035 6.297) 6.618 8.484 ( -0.000 -12.449 -3.180) 12.849 8.991 ( -0.000 -8.645 1.916) 8.855 10.098 ( -0.000 1.408 11.267) 11.355 10.787 ( -0.000 -16.446 3.096) 16.735 11.758 ( 0.000 9.779 -14.033) 17.104 12.423 ( 0.000 0.874 -9.173) 9.215 12.443 ( 0.000 6.288 -6.539) 9.072 13.298 ( 0.000 -5.490 -12.033) 13.226 14.527 ( -0.000 5.409 15.545) 16.459 15.113 ( -0.000 -5.851 18.506) 19.409 22.576 ( -0.000 -0.848 2.341) 2.490 22.970 ( -0.000 -10.817 3.201) 11.281 23.664 ( 0.000 2.143 -2.649) 3.407 24.048 ( 0.000 -0.307 -15.771) 15.774 24.964 ( 0.000 2.418 -12.307) 12.542 25.410 ( -0.000 -0.307 0.817) 0.873 25.561 ( -0.000 -2.067 -1.948) 2.841 26.687 ( -0.000 4.813 12.882) 13.752 ======================= Grid point 134 (62/90) ======================= q-point: ( 0.41 -0.16 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 393 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 28.207 6.336 11.853) 31.246 2.986 ( -3.087 -28.004 7.083) 29.050 3.233 ( 2.373 0.855 17.025) 17.211 3.403 ( 5.820 -3.716 -9.463) 11.714 3.654 ( 3.212 -11.065 -11.298) 16.136 4.451 ( -1.691 3.091 14.918) 15.328 4.564 ( 3.115 7.918 3.398) 9.162 4.664 ( 0.355 3.870 -16.705) 17.151 4.787 ( -6.560 -0.733 -8.502) 10.764 5.114 ( 0.249 15.289 4.349) 15.897 5.512 ( -5.571 -4.191 4.310) 8.196 6.047 ( -2.962 5.064 5.799) 8.249 6.862 ( 2.702 -2.599 -7.544) 8.424 7.025 ( -2.147 2.136 -6.350) 7.035 7.158 ( 1.423 -0.562 -1.821) 2.378 7.684 ( 1.997 1.723 -3.676) 4.525 7.953 ( -0.815 7.276 7.131) 10.220 8.187 ( -6.497 -8.145 2.029) 10.614 8.434 ( 2.235 6.853 10.176) 12.470 8.801 ( -2.717 -6.280 6.893) 9.713 10.168 ( 4.135 0.967 8.546) 9.543 10.454 ( 1.108 -13.922 7.493) 15.849 11.949 ( -2.933 9.138 -15.488) 18.221 12.404 ( -2.585 1.141 -8.021) 8.504 12.564 ( 5.146 -1.200 -11.908) 13.028 13.201 ( -1.899 -1.162 -8.258) 8.553 14.662 ( 2.019 4.370 13.558) 14.388 14.966 ( -3.984 -2.887 21.027) 21.595 22.589 ( 2.649 0.242 1.945) 3.295 22.731 ( -2.272 -7.702 2.807) 8.506 23.749 ( 3.348 0.294 -6.137) 6.997 24.035 ( 7.654 -8.428 -5.101) 12.475 25.009 ( -0.932 2.247 -14.601) 14.802 25.416 ( 0.409 -0.206 -1.496) 1.565 25.533 ( -1.497 1.022 -1.511) 2.360 26.739 ( -6.481 7.389 12.692) 16.053 ======================= Grid point 140 (63/90) ======================= q-point: (-0.46 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.000 4.506 10.485) 11.413 2.981 ( 0.000 -1.266 -14.441) 14.496 3.188 ( -0.000 -29.847 6.878) 30.629 3.332 ( -0.000 -12.080 -10.798) 16.202 3.710 ( -0.000 1.160 19.060) 19.095 4.274 ( 0.000 1.201 -17.308) 17.350 4.318 ( 0.000 7.754 -9.557) 12.307 4.682 ( -0.000 -4.457 -5.281) 6.911 4.985 ( -0.000 -0.315 13.763) 13.766 5.218 ( 0.000 16.096 5.506) 17.012 5.660 ( -0.000 -2.533 3.550) 4.361 6.138 ( 0.000 4.875 0.922) 4.962 6.647 ( 0.000 -2.676 -8.859) 9.254 6.941 ( 0.000 1.449 -5.504) 5.691 7.068 ( -0.000 -1.682 -1.750) 2.427 7.611 ( 0.000 0.050 -1.310) 1.311 7.898 ( -0.000 -9.606 -5.987) 11.319 8.498 ( 0.000 7.840 13.155) 15.314 8.592 ( 0.000 8.685 7.853) 11.709 8.969 ( -0.000 -2.987 6.422) 7.083 10.331 ( -0.000 0.474 8.726) 8.739 10.576 ( -0.000 -12.210 5.590) 13.429 11.721 ( 0.000 8.744 -8.418) 12.138 12.239 ( 0.000 -0.189 -8.875) 8.877 12.314 ( 0.000 -3.198 -8.379) 8.968 13.103 ( 0.000 0.897 -2.924) 3.058 14.872 ( 0.000 4.700 8.419) 9.642 15.379 ( -0.000 -0.955 14.530) 14.562 22.610 ( -0.000 -0.525 2.353) 2.411 22.837 ( -0.000 -10.302 5.014) 11.458 23.641 ( 0.000 1.362 -3.251) 3.525 23.768 ( 0.000 -1.399 -9.961) 10.058 24.789 ( 0.000 0.448 -7.602) 7.615 25.391 ( -0.000 -1.434 -0.437) 1.499 25.536 ( 0.000 0.883 0.426) 0.980 27.001 ( 0.000 7.072 6.105) 9.343 ======================= Grid point 141 (64/90) ======================= q-point: (-0.46 -0.17 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 11.246 -11.246 6.408) 17.147 2.555 ( 11.808 -11.808 7.411) 18.269 3.040 ( 3.556 -3.556 -12.895) 13.841 3.121 ( 7.364 -7.364 -13.361) 16.940 3.755 ( -1.655 1.655 23.970) 24.084 4.275 ( 1.492 -1.492 -21.392) 21.496 4.461 ( -3.301 3.301 -13.056) 13.866 4.589 ( 1.848 -1.848 -6.997) 7.469 4.977 ( 0.963 -0.963 13.132) 13.202 5.449 ( -7.059 7.059 3.891) 10.714 5.573 ( -1.443 1.443 5.022) 5.420 6.193 ( -2.448 2.448 0.750) 3.542 6.626 ( 3.109 -3.109 -9.174) 10.173 6.921 ( -2.826 2.826 -6.932) 8.001 7.098 ( 1.746 -1.746 0.415) 2.504 7.607 ( 0.193 -0.193 -4.303) 4.312 7.769 ( 6.088 -6.088 -4.909) 9.910 8.567 ( -8.130 8.130 14.230) 18.295 8.749 ( -3.001 3.001 7.571) 8.680 8.900 ( 0.558 -0.558 9.770) 9.802 10.338 ( 0.017 -0.017 7.175) 7.175 10.438 ( 4.744 -4.744 7.881) 10.349 11.821 ( -3.162 3.162 -8.923) 9.981 12.232 ( -0.058 0.058 -9.161) 9.161 12.278 ( 2.885 -2.885 -9.881) 10.690 13.114 ( -1.183 1.183 -1.761) 2.428 14.933 ( -1.355 1.355 9.007) 9.208 15.357 ( -1.940 1.940 15.928) 16.162 22.622 ( 0.832 -0.832 1.491) 1.900 22.690 ( 3.704 -3.704 4.957) 7.211 23.628 ( -1.603 1.603 -6.486) 6.871 23.798 ( 6.043 -6.043 -4.157) 9.504 24.798 ( -0.219 0.219 -8.579) 8.584 25.374 ( 0.636 -0.636 -0.990) 1.337 25.548 ( -1.067 1.067 0.372) 1.555 27.072 ( -5.656 5.656 6.590) 10.364 ======================= Grid point 147 (65/90) ======================= q-point: (-0.32 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 0.000 -1.034 -15.772) 15.805 2.435 ( -0.000 -24.162 -16.941) 29.509 2.904 ( -0.000 2.069 6.503) 6.824 3.063 ( -0.000 -12.367 8.100) 14.783 3.808 ( 0.000 -6.113 -20.647) 21.533 4.114 ( 0.000 8.455 2.368) 8.780 4.242 ( 0.000 3.399 -9.648) 10.229 4.503 ( -0.000 -9.883 5.857) 11.488 4.832 ( 0.000 -4.732 -24.738) 25.187 5.579 ( 0.000 10.473 3.481) 11.037 5.701 ( -0.000 -0.584 3.323) 3.374 6.190 ( 0.000 2.147 -2.877) 3.590 6.450 ( -0.000 -3.329 -2.316) 4.056 6.811 ( 0.000 -0.602 -7.909) 7.932 7.241 ( 0.000 7.236 12.898) 14.789 7.598 ( -0.000 -6.333 -4.467) 7.750 7.608 ( -0.000 -3.538 4.838) 5.994 8.866 ( 0.000 5.578 3.764) 6.729 8.875 ( 0.000 4.825 5.691) 7.461 9.142 ( -0.000 1.996 13.246) 13.396 10.418 ( 0.000 -0.074 -1.526) 1.527 10.468 ( -0.000 -5.339 -0.857) 5.407 11.744 ( 0.000 1.135 -1.171) 1.631 12.109 ( 0.000 -1.320 -3.247) 3.505 12.111 ( 0.000 -0.724 -1.590) 1.747 13.158 ( -0.000 1.516 4.820) 5.053 15.092 ( 0.000 4.982 4.366) 6.624 15.607 ( -0.000 1.736 5.843) 6.095 22.644 ( -0.000 -0.074 1.390) 1.392 22.735 ( -0.000 -8.527 3.664) 9.281 23.596 ( 0.000 0.350 -2.619) 2.643 23.605 ( 0.000 -0.105 -4.536) 4.538 24.695 ( 0.000 -0.488 -1.244) 1.337 25.370 ( -0.000 -1.190 1.632) 2.020 25.579 ( 0.000 0.817 1.466) 1.678 27.211 ( 0.000 6.225 0.682) 6.262 ======================= Grid point 151 (66/90) ======================= q-point: ( 0.68 -0.18 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( -6.505 6.505 4.931) 10.438 3.467 ( 2.658 -2.658 -5.378) 6.561 3.685 ( -7.304 7.304 5.263) 11.593 3.750 ( -9.283 9.283 -3.228) 13.520 3.996 ( -2.716 2.716 2.860) 4.789 4.052 ( -9.614 9.614 -0.939) 13.628 4.361 ( 2.424 -2.424 -0.014) 3.428 4.478 ( 13.932 -13.932 -1.584) 19.766 5.046 ( -2.439 2.439 -3.188) 4.696 5.120 ( 1.025 -1.025 4.721) 4.939 5.621 ( -4.270 4.270 -0.620) 6.071 5.847 ( 5.755 -5.755 0.456) 8.152 6.824 ( -3.740 3.740 1.011) 5.385 6.923 ( -0.035 0.035 -0.905) 0.906 7.316 ( -6.735 6.735 -2.137) 9.761 7.589 ( 0.291 -0.291 5.633) 5.648 7.878 ( 3.024 -3.024 3.282) 5.390 7.890 ( 9.309 -9.309 -7.097) 14.956 8.649 ( -2.453 2.453 -0.010) 3.469 8.814 ( 4.599 -4.599 -1.141) 6.603 10.516 ( -3.914 3.914 -0.059) 5.536 10.704 ( 4.134 -4.134 0.288) 5.854 11.755 ( -5.051 5.051 -2.580) 7.595 11.966 ( 4.265 -4.265 2.018) 6.360 12.622 ( -6.668 6.668 1.533) 9.554 12.866 ( 5.133 -5.133 -1.453) 7.403 14.959 ( -3.310 3.310 1.472) 4.907 15.166 ( 6.166 -6.166 -1.500) 8.848 22.650 ( -1.536 1.536 0.683) 2.278 22.773 ( 4.363 -4.363 -1.306) 6.307 23.767 ( -7.033 7.033 -0.337) 9.952 23.988 ( 3.162 -3.162 1.282) 4.652 25.376 ( -12.634 12.634 4.268) 18.370 25.451 ( -0.577 0.577 -1.351) 1.579 25.523 ( -3.453 3.453 -5.611) 7.438 26.134 ( 16.682 -16.682 2.169) 23.692 ======================= Grid point 154 (67/90) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.728 ( 0.000 0.000 -24.221) 24.221 1.728 ( 0.000 0.000 -24.221) 24.221 3.120 ( -0.000 -0.000 9.252) 9.252 3.120 ( -0.000 -0.000 9.252) 9.252 3.303 ( 0.000 0.000 -19.510) 19.510 3.955 ( 0.000 0.000 -51.348) 51.348 4.138 ( 0.000 0.000 -2.089) 2.089 4.138 ( 0.000 0.000 -2.089) 2.089 4.498 ( 0.000 0.000 -2.970) 2.970 5.743 ( -0.000 -0.000 0.810) 0.810 5.743 ( -0.000 -0.000 0.811) 0.811 6.130 ( 0.000 0.000 -4.619) 4.619 6.532 ( -0.000 -0.000 14.778) 14.778 6.633 ( 0.000 0.000 -7.916) 7.916 7.467 ( 0.000 0.000 -3.083) 3.083 7.467 ( 0.000 0.000 -3.083) 3.083 7.894 ( -0.000 -0.000 27.166) 27.166 8.967 ( -0.000 -0.000 0.807) 0.807 8.967 ( -0.000 -0.000 0.807) 0.807 9.460 ( -0.000 -0.000 12.880) 12.880 10.267 ( 0.000 0.000 -12.085) 12.085 10.267 ( 0.000 0.000 -12.085) 12.085 11.725 ( -0.000 -0.000 0.551) 0.551 12.164 ( -0.000 -0.000 6.954) 6.954 12.164 ( -0.000 -0.000 6.954) 6.954 13.342 ( -0.000 -0.000 11.800) 11.800 15.237 ( -0.000 -0.000 2.527) 2.527 15.641 ( 0.000 0.000 -4.858) 4.858 22.653 ( 0.000 0.000 -0.588) 0.588 22.653 ( 0.000 0.000 -0.588) 0.588 23.564 ( 0.000 0.000 -0.604) 0.604 23.564 ( 0.000 0.000 -0.604) 0.604 24.734 ( -0.000 -0.000 5.710) 5.710 25.426 ( -0.000 -0.000 5.535) 5.535 25.611 ( -0.000 -0.000 0.560) 0.560 27.255 ( 0.000 0.000 -3.722) 3.722 ======================= Grid point 157 (68/90) ======================= q-point: (-0.19 -0.19 0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 11.187 11.187 -10.635) 19.064 3.484 ( -7.664 -7.664 -2.854) 11.207 3.581 ( 13.053 13.053 -5.895) 19.379 3.822 ( 7.180 7.180 3.662) 10.794 4.009 ( 4.033 4.033 2.600) 6.269 4.127 ( 9.715 9.715 6.449) 15.178 4.410 ( -1.163 -1.163 5.435) 5.678 4.541 ( -15.243 -15.243 4.497) 22.021 4.809 ( 4.761 4.761 -23.339) 24.291 4.946 ( -0.925 -0.925 -11.422) 11.496 5.600 ( 2.795 2.795 -2.565) 4.713 5.800 ( -5.522 -5.522 -3.968) 8.760 6.902 ( 3.932 3.932 7.409) 9.264 6.999 ( 1.593 1.593 4.590) 5.113 7.334 ( 3.268 3.268 -0.650) 4.668 7.457 ( 0.499 0.499 -7.199) 7.234 7.825 ( -0.612 -0.612 -2.234) 2.396 8.009 ( -11.011 -11.011 4.297) 16.154 8.629 ( 2.066 2.066 -1.530) 3.299 8.829 ( -6.472 -6.472 0.614) 9.174 10.488 ( 5.059 5.059 -2.731) 7.658 10.704 ( -4.196 -4.196 0.656) 5.970 11.828 ( 2.376 2.376 3.946) 5.183 11.964 ( -3.486 -3.486 1.802) 5.249 12.636 ( 8.614 8.614 3.128) 12.577 12.956 ( -6.699 -6.699 7.509) 12.089 14.848 ( 4.703 4.703 -9.345) 11.470 15.109 ( -7.240 -7.240 -7.064) 12.439 22.635 ( 1.853 1.853 -0.794) 2.738 22.782 ( -5.370 -5.370 -0.291) 7.600 23.883 ( 6.677 6.677 10.979) 14.482 24.045 ( -0.991 -0.991 6.451) 6.601 25.287 ( 10.357 10.357 -4.022) 15.189 25.481 ( -0.946 -0.946 1.444) 1.969 25.615 ( 3.520 3.520 3.062) 5.844 26.045 ( -14.471 -14.471 -6.607) 21.506 ======================= Grid point 176 (69/90) ======================= q-point: ( 0.21 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.037 ( -0.000 14.900 0.000) 14.900 1.950 ( -0.000 26.766 0.000) 26.766 3.207 ( -0.000 32.593 0.000) 32.593 3.462 ( -0.000 9.963 0.000) 9.963 3.700 ( -0.000 1.366 0.000) 1.366 3.848 ( -0.000 20.459 0.000) 20.459 4.077 ( -0.000 5.939 0.000) 5.939 4.519 ( 0.000 -6.680 -0.000) 6.680 5.025 ( -0.000 11.625 0.000) 11.625 5.338 ( 0.000 -2.707 -0.000) 2.707 5.782 ( 0.000 -21.104 -0.000) 21.104 5.836 ( 0.000 -2.957 -0.000) 2.957 6.836 ( -0.000 13.002 0.000) 13.002 6.904 ( -0.000 3.316 0.000) 3.316 7.225 ( 0.000 -3.670 -0.000) 3.670 7.262 ( -0.000 5.486 0.000) 5.486 7.395 ( -0.000 1.974 0.000) 1.974 8.413 ( 0.000 -13.084 -0.000) 13.084 8.722 ( 0.000 -6.729 -0.000) 6.729 9.310 ( 0.000 -15.957 -0.000) 15.957 9.774 ( -0.000 2.726 0.000) 2.726 11.237 ( 0.000 -26.180 -0.000) 26.180 11.846 ( -0.000 13.675 0.000) 13.675 12.467 ( -0.000 15.430 0.000) 15.430 12.604 ( -0.000 1.542 0.000) 1.542 13.685 ( -0.000 4.292 0.000) 4.292 14.145 ( 0.000 -5.757 -0.000) 5.757 14.565 ( 0.000 -4.929 -0.000) 4.929 22.537 ( 0.000 -0.808 -0.000) 0.808 23.146 ( 0.000 -10.928 -0.000) 10.928 23.676 ( -0.000 2.228 0.000) 2.228 24.723 ( 0.000 -15.672 -0.000) 15.672 25.214 ( -0.000 15.170 0.000) 15.170 25.415 ( -0.000 2.558 0.000) 2.558 25.705 ( 0.000 -3.419 -0.000) 3.419 26.008 ( -0.000 2.372 0.000) 2.372 ======================= Grid point 177 (70/90) ======================= q-point: ( 0.21 -0.21 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.785 ( 38.370 9.403 -0.000) 39.505 2.500 ( 5.023 20.111 0.000) 20.729 3.343 ( -5.712 -5.205 0.000) 7.728 3.695 ( -0.760 -25.652 -0.000) 25.664 3.738 ( 9.878 -1.092 -0.000) 9.938 4.018 ( 0.267 18.326 0.000) 18.328 4.348 ( 3.012 20.619 0.000) 20.838 4.717 ( 4.881 13.746 0.000) 14.586 5.098 ( -12.859 -6.874 0.000) 14.581 5.280 ( -0.239 12.561 0.000) 12.564 5.390 ( -1.327 -13.279 -0.000) 13.345 5.734 ( -4.486 -3.355 0.000) 5.602 6.981 ( 0.992 2.633 0.000) 2.814 7.119 ( -0.301 3.591 0.000) 3.604 7.162 ( 1.273 4.633 0.000) 4.804 7.343 ( -5.756 5.624 0.000) 8.048 7.550 ( 4.497 11.199 0.000) 12.068 8.178 ( -1.709 -7.459 -0.000) 7.653 8.531 ( -2.570 -7.207 -0.000) 7.652 8.918 ( -3.831 -17.117 -0.000) 17.540 9.918 ( 8.573 2.875 -0.000) 9.042 10.703 ( -1.779 -23.187 -0.000) 23.255 12.113 ( -2.028 14.410 0.000) 14.552 12.540 ( -8.510 1.626 0.000) 8.664 12.857 ( 8.507 13.125 0.000) 15.641 13.656 ( -0.407 -10.048 -0.000) 10.056 14.101 ( 0.393 3.687 0.000) 3.708 14.430 ( -2.425 -5.450 -0.000) 5.966 22.542 ( 1.998 -0.089 -0.000) 2.000 22.863 ( -4.553 -9.158 -0.000) 10.228 23.859 ( 11.896 1.111 -0.000) 11.948 24.437 ( 3.452 -16.842 -0.000) 17.192 25.386 ( 1.647 2.239 0.000) 2.780 25.601 ( -2.065 14.947 0.000) 15.089 25.602 ( -1.266 -4.755 -0.000) 4.921 25.975 ( -8.788 4.102 0.000) 9.698 ======================= Grid point 178 (71/90) ======================= q-point: ( 0.21 -0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.738 ( -3.330 -28.559 -0.000) 28.753 2.738 ( 28.559 3.330 -0.000) 28.753 3.066 ( 2.206 -3.096 0.000) 3.802 3.066 ( 3.096 -2.206 0.000) 3.802 4.083 ( -2.000 -10.528 -0.000) 10.717 4.083 ( 10.528 2.000 -0.000) 10.717 4.736 ( -15.635 0.792 0.000) 15.655 4.736 ( -0.792 15.635 0.000) 15.655 5.088 ( -9.369 -6.794 0.000) 11.573 5.088 ( 6.794 9.369 0.000) 11.573 5.523 ( -6.755 2.101 0.000) 7.074 5.523 ( -2.101 6.755 0.000) 7.074 7.053 ( -0.952 -0.971 0.000) 1.360 7.053 ( 0.971 0.952 0.000) 1.360 7.312 ( -5.099 4.595 0.000) 6.864 7.312 ( -4.595 5.099 0.000) 6.864 7.924 ( -10.469 -3.325 0.000) 10.984 7.924 ( 3.325 10.469 0.000) 10.984 8.536 ( 0.593 -10.020 -0.000) 10.037 8.536 ( 10.020 -0.593 -0.000) 10.037 10.240 ( -1.877 -16.258 -0.000) 16.366 10.240 ( 16.258 1.877 -0.000) 16.366 12.353 ( -10.870 3.909 0.000) 11.552 12.353 ( -3.909 10.870 0.000) 11.552 13.308 ( -4.848 -9.476 0.000) 10.645 13.308 ( 9.476 4.848 0.000) 10.645 14.254 ( -4.077 -4.176 0.000) 5.836 14.254 ( 4.176 4.077 0.000) 5.836 22.638 ( -2.230 -5.551 -0.000) 5.982 22.638 ( 5.551 2.230 -0.000) 5.982 24.150 ( 3.295 -14.348 -0.000) 14.721 24.150 ( 14.348 -3.295 -0.000) 14.721 25.479 ( -1.514 -3.971 -0.000) 4.250 25.479 ( 3.971 1.514 -0.000) 4.250 25.832 ( -9.736 7.885 0.000) 12.529 25.832 ( -7.885 9.736 0.000) 12.529 ======================= Grid point 184 (72/90) ======================= q-point: ( 0.35 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 11.079 11.998) 16.331 2.595 ( 0.000 17.504 14.080) 22.464 3.528 ( 0.000 3.304 -7.352) 8.060 3.529 ( -0.000 -12.800 7.667) 14.921 3.834 ( -0.000 -21.135 10.888) 23.775 4.047 ( 0.000 15.787 4.892) 16.528 4.278 ( 0.000 20.980 -3.186) 21.221 4.675 ( 0.000 15.022 1.128) 15.065 4.894 ( 0.000 8.180 -19.966) 21.576 5.215 ( -0.000 -13.428 -11.782) 17.864 5.540 ( -0.000 -1.402 8.507) 8.622 5.853 ( -0.000 1.221 6.451) 6.566 6.997 ( -0.000 -1.333 -1.115) 1.738 7.050 ( 0.000 9.600 -4.639) 10.662 7.147 ( -0.000 -0.937 0.694) 1.166 7.519 ( 0.000 9.185 5.036) 10.475 7.577 ( 0.000 7.031 10.842) 12.922 8.227 ( -0.000 -6.588 3.874) 7.643 8.544 ( -0.000 -10.220 -2.327) 10.482 8.965 ( -0.000 -14.684 0.691) 14.701 9.906 ( -0.000 2.245 7.176) 7.519 10.737 ( -0.000 -21.438 1.677) 21.504 12.027 ( 0.000 12.913 -10.662) 16.746 12.576 ( 0.000 1.166 -5.522) 5.644 12.616 ( 0.000 10.383 -10.515) 14.777 13.552 ( -0.000 -8.627 -11.281) 14.202 14.206 ( -0.000 6.390 13.655) 15.076 14.716 ( -0.000 -6.918 19.509) 20.700 22.536 ( -0.000 -0.833 1.491) 1.708 22.928 ( -0.000 -10.885 1.136) 10.944 23.710 ( 0.000 2.556 -1.685) 3.061 24.308 ( -0.000 -10.520 -9.070) 13.890 25.284 ( 0.000 4.691 -17.410) 18.031 25.399 ( 0.000 4.898 -1.294) 5.066 25.604 ( -0.000 -2.668 -1.966) 3.315 26.363 ( -0.000 5.006 18.703) 19.362 ======================= Grid point 185 (73/90) ======================= q-point: ( 0.35 -0.22 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 392 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 33.197 7.027 7.437) 34.738 2.898 ( 1.259 -2.857 11.927) 12.329 2.915 ( -2.528 -26.878 -0.926) 27.013 3.496 ( -4.918 -2.342 10.552) 11.875 3.764 ( 12.582 0.970 -1.609) 12.722 4.096 ( -0.204 -9.781 3.214) 10.297 4.686 ( 0.618 16.239 -6.112) 17.363 4.943 ( -9.373 1.350 -7.312) 11.964 4.995 ( -0.201 7.245 -3.777) 8.173 5.076 ( 0.818 9.184 -8.753) 12.713 5.442 ( -4.287 -3.671 1.125) 5.755 5.879 ( -3.432 4.277 10.758) 12.075 6.978 ( 1.091 -1.580 -3.969) 4.409 7.114 ( -1.209 0.583 0.211) 1.359 7.207 ( -1.378 4.711 -6.394) 8.061 7.688 ( -5.241 8.870 14.528) 17.810 7.766 ( 3.462 8.306 -3.954) 9.829 8.190 ( -3.633 0.201 6.424) 7.383 8.310 ( 3.643 -7.764 -3.376) 9.217 8.662 ( -2.028 -10.978 6.686) 13.012 10.025 ( 7.428 1.811 5.181) 9.236 10.328 ( -0.552 -16.425 4.620) 17.072 12.257 ( -3.169 11.243 -12.641) 17.212 12.529 ( -5.432 1.614 -4.175) 7.038 12.844 ( 6.913 2.057 -16.002) 17.552 13.376 ( -2.155 -4.979 -7.232) 9.041 14.358 ( 2.918 5.455 15.187) 16.399 14.547 ( -3.465 -5.588 18.535) 19.666 22.555 ( 3.260 0.169 1.230) 3.488 22.694 ( -2.058 -7.905 1.099) 8.242 23.847 ( 7.476 0.768 -3.455) 8.272 24.104 ( 3.330 -12.140 -1.926) 12.735 25.327 ( 0.787 0.428 -12.276) 12.309 25.456 ( -0.213 -0.749 -3.134) 3.229 25.611 ( -3.270 5.875 -8.945) 11.191 26.416 ( -5.937 6.865 19.076) 21.125 ======================= Grid point 191 (74/90) ======================= q-point: ( 0.48 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( -0.000 6.729 14.845) 16.299 3.016 ( -0.000 -25.236 7.600) 26.356 3.223 ( -0.000 -2.365 20.108) 20.247 3.307 ( 0.000 -0.634 -15.945) 15.958 3.635 ( -0.000 -12.689 -9.665) 15.951 4.494 ( -0.000 -1.971 29.678) 29.743 4.505 ( 0.000 13.507 -9.446) 16.482 4.658 ( 0.000 5.295 -19.739) 20.437 4.858 ( 0.000 -0.226 -10.680) 10.682 5.106 ( 0.000 15.474 5.752) 16.508 5.576 ( -0.000 -3.891 4.694) 6.097 6.076 ( 0.000 5.072 5.448) 7.444 6.831 ( 0.000 -2.554 -8.462) 8.839 7.064 ( 0.000 4.529 -6.890) 8.246 7.130 ( -0.000 -1.861 -2.263) 2.930 7.657 ( 0.000 2.255 -2.902) 3.675 7.963 ( -0.000 1.402 2.935) 3.253 8.267 ( -0.000 -4.876 5.998) 7.730 8.400 ( 0.000 7.236 10.680) 12.901 8.834 ( -0.000 -6.883 7.090) 9.881 10.125 ( -0.000 1.113 10.466) 10.525 10.446 ( -0.000 -14.751 6.616) 16.167 11.978 ( 0.000 10.160 -16.165) 19.092 12.436 ( 0.000 0.384 -9.629) 9.637 12.504 ( 0.000 -0.253 -10.516) 10.519 13.221 ( 0.000 -1.813 -8.355) 8.549 14.640 ( -0.000 4.795 14.253) 15.039 15.010 ( -0.000 -3.747 21.227) 21.555 22.560 ( -0.000 -0.683 2.396) 2.492 22.758 ( -0.000 -9.355 2.873) 9.786 23.708 ( 0.000 2.022 -3.220) 3.802 23.955 ( -0.000 -7.075 -7.949) 10.642 25.019 ( 0.000 2.351 -14.938) 15.122 25.412 ( 0.000 -0.225 -1.465) 1.482 25.549 ( 0.000 1.197 -1.918) 2.261 26.808 ( 0.000 6.360 13.100) 14.562 ======================= Grid point 192 (75/90) ======================= q-point: (-0.52 -0.23 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( 11.943 -11.943 11.311) 20.328 2.346 ( 12.504 -12.504 10.837) 20.740 3.265 ( -0.260 0.260 21.557) 21.560 3.351 ( 2.564 -2.564 -15.229) 15.654 3.449 ( 7.247 -7.247 -16.675) 19.573 4.451 ( 0.022 -0.022 31.370) 31.370 4.721 ( -1.860 1.860 -21.846) 22.004 4.742 ( -3.222 3.222 -11.802) 12.651 4.768 ( -2.314 2.314 -9.349) 9.905 5.357 ( -5.894 5.894 5.063) 9.753 5.462 ( -1.029 1.029 5.809) 5.988 6.132 ( -2.869 2.869 5.631) 6.940 6.808 ( 2.399 -2.399 -8.239) 8.910 7.070 ( -2.314 2.314 -6.666) 7.426 7.156 ( -0.253 0.253 -4.737) 4.750 7.708 ( -0.244 0.244 -5.801) 5.812 7.898 ( 6.695 -6.695 -7.628) 12.159 8.239 ( -7.662 7.662 17.561) 20.635 8.557 ( -2.862 2.862 11.236) 11.943 8.704 ( 2.249 -2.249 10.045) 10.536 10.171 ( 1.192 -1.192 8.251) 8.421 10.252 ( 4.997 -4.997 9.598) 11.919 12.096 ( -4.704 4.704 -17.550) 18.768 12.425 ( -0.943 0.943 -9.011) 9.109 12.506 ( 3.179 -3.179 -12.473) 13.259 13.202 ( -0.576 0.576 -6.527) 6.577 14.706 ( -0.159 0.159 13.185) 13.187 14.954 ( -1.109 1.109 23.433) 23.486 22.589 ( 1.711 -1.711 1.675) 2.943 22.607 ( 2.576 -2.576 3.223) 4.864 23.752 ( 0.196 -0.196 -5.637) 5.644 23.874 ( 5.975 -5.975 -3.017) 8.972 25.043 ( -0.955 0.955 -14.953) 15.014 25.405 ( 0.520 -0.520 -1.767) 1.914 25.569 ( -1.820 1.820 -3.077) 4.012 26.871 ( -4.901 4.901 13.380) 15.069 ======================= Grid point 198 (76/90) ======================= q-point: (-0.38 -0.24 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -0.000 2.421 7.307) 7.697 2.571 ( -0.000 -25.506 5.572) 26.108 2.962 ( 0.000 -0.523 -13.075) 13.085 3.078 ( -0.000 -10.715 -12.124) 16.180 3.772 ( -0.000 2.746 25.952) 26.097 4.256 ( 0.000 -1.419 -23.504) 23.546 4.476 ( 0.000 6.019 -12.818) 14.161 4.588 ( 0.000 -4.086 -11.128) 11.855 4.967 ( -0.000 -0.930 12.273) 12.308 5.495 ( 0.000 10.146 5.009) 11.315 5.619 ( -0.000 -1.330 4.748) 4.931 6.218 ( 0.000 2.570 0.453) 2.609 6.588 ( 0.000 -2.779 -9.503) 9.901 6.977 ( 0.000 2.078 -8.632) 8.879 7.057 ( -0.000 0.489 1.921) 1.982 7.610 ( 0.000 -0.265 -2.867) 2.879 7.699 ( -0.000 -8.287 -5.660) 10.035 8.673 ( 0.000 8.108 14.491) 16.605 8.751 ( 0.000 5.770 7.860) 9.750 8.905 ( -0.000 -3.544 10.123) 10.725 10.338 ( -0.000 0.255 8.266) 8.270 10.393 ( -0.000 -5.454 7.421) 9.209 11.849 ( 0.000 3.410 -9.831) 10.405 12.233 ( 0.000 -0.290 -9.468) 9.472 12.250 ( 0.000 -2.204 -9.785) 10.030 13.126 ( 0.000 0.999 -1.545) 1.840 14.945 ( -0.000 2.180 10.009) 10.244 15.382 ( -0.000 0.943 16.289) 16.316 22.601 ( -0.000 -0.302 2.585) 2.602 22.663 ( -0.000 -6.138 3.390) 7.012 23.664 ( 0.000 0.866 -3.909) 4.004 23.710 ( -0.000 -3.134 -5.584) 6.403 24.801 ( 0.000 0.540 -9.277) 9.292 25.368 ( -0.000 -0.787 -1.111) 1.361 25.559 ( 0.000 1.097 0.165) 1.109 27.133 ( 0.000 5.074 7.112) 8.737 ======================= Grid point 205 (77/90) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 0.000 0.000 -17.124) 17.124 2.158 ( 0.000 0.000 -17.124) 17.124 2.930 ( -0.000 -0.000 7.705) 7.705 2.930 ( -0.000 -0.000 7.705) 7.705 3.739 ( 0.000 0.000 -23.546) 23.546 4.280 ( 0.000 0.000 -11.005) 11.005 4.280 ( 0.000 0.000 -11.005) 11.005 4.321 ( -0.000 -0.000 19.984) 19.984 4.778 ( 0.000 0.000 -27.874) 27.874 5.695 ( -0.000 -0.000 3.632) 3.632 5.695 ( -0.000 -0.000 3.632) 3.632 6.211 ( 0.000 0.000 -3.107) 3.107 6.409 ( 0.000 0.000 -2.480) 2.480 6.807 ( 0.000 0.000 -9.345) 9.345 7.360 ( -0.000 -0.000 23.442) 23.442 7.530 ( 0.000 0.000 -3.246) 3.246 7.530 ( 0.000 0.000 -3.246) 3.246 8.923 ( -0.000 -0.000 3.717) 3.717 8.923 ( -0.000 -0.000 3.717) 3.717 9.166 ( -0.000 -0.000 16.167) 16.167 10.417 ( 0.000 0.000 -1.737) 1.737 10.417 ( 0.000 0.000 -1.737) 1.737 11.744 ( 0.000 0.000 -3.094) 3.094 12.103 ( 0.000 0.000 -1.786) 1.786 12.103 ( 0.000 0.000 -1.786) 1.786 13.173 ( -0.000 -0.000 5.005) 5.005 15.145 ( -0.000 -0.000 6.721) 6.721 15.629 ( -0.000 -0.000 6.153) 6.153 22.643 ( -0.000 -0.000 1.539) 1.539 22.643 ( -0.000 -0.000 1.539) 1.539 23.600 ( 0.000 0.000 -2.909) 2.909 23.600 ( 0.000 0.000 -2.909) 2.909 24.690 ( 0.000 0.000 -1.690) 1.690 25.357 ( -0.000 -0.000 1.407) 1.407 25.588 ( -0.000 -0.000 1.324) 1.324 27.279 ( -0.000 -0.000 1.523) 1.523 ======================= Grid point 235 (78/90) ======================= q-point: ( 0.29 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -0.000 12.291 0.000) 12.291 2.448 ( -0.000 21.412 0.000) 21.412 3.404 ( 0.000 -4.154 -0.000) 4.154 3.601 ( -0.000 4.637 0.000) 4.637 3.732 ( 0.000 -32.407 -0.000) 32.407 4.016 ( -0.000 18.355 0.000) 18.355 4.312 ( -0.000 23.114 0.000) 23.114 4.665 ( -0.000 14.323 0.000) 14.323 5.281 ( 0.000 -2.837 -0.000) 2.837 5.281 ( -0.000 12.745 0.000) 12.745 5.360 ( 0.000 -17.743 -0.000) 17.743 5.778 ( 0.000 -2.588 -0.000) 2.588 6.971 ( -0.000 2.725 0.000) 2.725 7.114 ( -0.000 13.672 0.000) 13.672 7.153 ( 0.000 -3.164 -0.000) 3.164 7.447 ( -0.000 3.131 0.000) 3.131 7.464 ( -0.000 13.577 0.000) 13.577 8.187 ( 0.000 -8.353 -0.000) 8.353 8.568 ( 0.000 -8.140 -0.000) 8.140 8.959 ( 0.000 -17.876 -0.000) 17.876 9.831 ( -0.000 2.706 0.000) 2.706 10.721 ( 0.000 -23.553 -0.000) 23.553 12.136 ( -0.000 14.042 0.000) 14.042 12.633 ( -0.000 1.256 0.000) 1.256 12.766 ( -0.000 13.302 0.000) 13.302 13.650 ( 0.000 -7.388 -0.000) 7.388 14.103 ( -0.000 1.688 0.000) 1.688 14.456 ( 0.000 -5.484 -0.000) 5.484 22.520 ( 0.000 -0.794 -0.000) 0.794 22.918 ( 0.000 -11.022 -0.000) 11.022 23.727 ( -0.000 2.681 0.000) 2.681 24.399 ( 0.000 -15.365 -0.000) 15.365 25.368 ( -0.000 1.566 0.000) 1.566 25.615 ( 0.000 -5.055 -0.000) 5.055 25.623 ( -0.000 15.476 0.000) 15.476 26.069 ( -0.000 3.364 0.000) 3.364 ======================= Grid point 236 (79/90) ======================= q-point: ( 0.29 -0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 35.547 7.178 -0.000) 36.265 2.778 ( -0.245 -10.195 -0.000) 10.197 3.004 ( 0.871 -16.600 -0.000) 16.623 3.220 ( -6.868 -5.743 0.000) 8.953 3.809 ( 12.261 2.756 -0.000) 12.567 4.113 ( -0.972 -8.636 -0.000) 8.690 4.755 ( -0.517 18.231 0.000) 18.238 4.980 ( 3.848 10.841 0.000) 11.503 5.019 ( -11.414 0.883 0.000) 11.448 5.218 ( -3.042 -4.846 -0.000) 5.722 5.517 ( -0.218 9.883 0.000) 9.885 5.683 ( -5.094 -1.549 0.000) 5.324 7.024 ( 0.955 1.682 0.000) 1.934 7.084 ( -1.190 -2.043 -0.000) 2.364 7.366 ( -1.907 10.178 0.000) 10.356 7.448 ( -6.280 5.004 0.000) 8.030 7.826 ( 4.333 13.923 0.000) 14.582 8.087 ( -2.028 -1.952 0.000) 2.815 8.386 ( 1.760 -6.530 -0.000) 6.763 8.571 ( -1.796 -16.205 -0.000) 16.304 9.971 ( 8.836 2.207 -0.000) 9.108 10.280 ( -1.310 -17.406 -0.000) 17.455 12.389 ( -1.387 12.087 0.000) 12.166 12.570 ( -7.846 1.289 0.000) 7.951 13.086 ( 8.102 8.937 0.000) 12.063 13.422 ( -3.057 -11.504 -0.000) 11.903 14.185 ( 2.118 3.846 0.000) 4.391 14.324 ( -2.349 -4.654 -0.000) 5.213 22.543 ( 3.456 0.149 -0.000) 3.459 22.683 ( -1.922 -8.050 -0.000) 8.276 23.882 ( 9.443 1.166 -0.000) 9.515 24.122 ( 1.027 -13.384 -0.000) 13.424 25.410 ( 2.451 0.756 -0.000) 2.565 25.502 ( -0.747 -4.681 -0.000) 4.740 25.901 ( -2.318 13.106 0.000) 13.310 26.056 ( -7.814 3.560 0.000) 8.587 ======================= Grid point 242 (80/90) ======================= q-point: ( 0.42 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 8.123 10.359) 13.164 2.876 ( 0.000 8.625 9.305) 12.687 2.949 ( -0.000 -37.080 1.773) 37.122 3.572 ( 0.000 1.317 -9.629) 9.719 3.603 ( -0.000 -3.009 18.159) 18.407 4.099 ( -0.000 -9.381 2.658) 9.751 4.678 ( 0.000 17.265 -7.222) 18.715 4.993 ( 0.000 11.534 4.764) 12.480 5.044 ( 0.000 6.459 -17.002) 18.187 5.067 ( 0.000 1.477 -8.712) 8.837 5.489 ( -0.000 -3.344 2.677) 4.283 5.914 ( -0.000 4.063 10.523) 11.280 6.965 ( 0.000 -1.592 -4.665) 4.929 7.129 ( -0.000 -0.689 1.898) 2.020 7.224 ( 0.000 7.589 -9.074) 11.829 7.721 ( 0.000 8.488 -3.433) 9.156 7.749 ( 0.000 9.267 14.146) 16.911 8.191 ( -0.000 3.109 9.268) 9.776 8.305 ( -0.000 -12.785 -5.908) 14.084 8.688 ( -0.000 -11.929 7.078) 13.871 9.948 ( -0.000 1.797 6.464) 6.709 10.335 ( -0.000 -16.753 4.020) 17.229 12.288 ( 0.000 11.816 -11.846) 16.732 12.595 ( 0.000 0.722 -5.737) 5.782 12.761 ( 0.000 3.225 -15.621) 15.950 13.398 ( -0.000 -5.661 -7.380) 9.301 14.328 ( -0.000 5.276 15.015) 15.915 14.583 ( -0.000 -5.751 19.225) 20.067 22.520 ( -0.000 -0.660 1.432) 1.577 22.717 ( -0.000 -9.268 1.265) 9.354 23.762 ( 0.000 2.395 -1.946) 3.086 24.073 ( -0.000 -11.050 -3.802) 11.686 25.315 ( 0.000 0.102 -9.944) 9.945 25.460 ( 0.000 -1.275 -3.956) 4.156 25.646 ( 0.000 6.664 -10.320) 12.285 26.480 ( -0.000 5.970 19.136) 20.045 ======================= Grid point 243 (81/90) ======================= q-point: ( 0.42 -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 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( 13.685 -13.684 7.054) 20.598 2.160 ( 14.806 -14.807 7.271) 22.166 2.986 ( -1.268 1.268 4.197) 4.564 3.517 ( -2.932 2.932 7.992) 9.004 3.736 ( 6.288 -6.288 -10.779) 13.974 3.875 ( 5.683 -5.683 14.021) 16.160 4.940 ( -4.576 4.576 -7.557) 9.949 4.967 ( -4.345 4.345 -9.574) 11.376 5.105 ( -4.566 4.566 -11.063) 12.809 5.252 ( -4.269 4.269 5.294) 8.030 5.392 ( 0.094 -0.094 -3.591) 3.594 5.959 ( -2.863 2.863 11.673) 12.355 6.949 ( 1.131 -1.131 -5.856) 6.070 7.119 ( -0.116 0.116 1.438) 1.447 7.310 ( -4.877 4.877 -10.325) 12.417 7.818 ( -3.905 3.905 1.679) 5.772 7.916 ( -4.451 4.451 7.014) 9.424 8.067 ( 5.928 -5.928 -8.810) 12.161 8.316 ( -1.804 1.804 11.943) 12.213 8.495 ( 4.279 -4.279 10.646) 12.245 10.039 ( 2.587 -2.587 4.373) 5.701 10.085 ( 4.748 -4.748 6.426) 9.294 12.441 ( -6.018 6.018 -13.479) 15.941 12.566 ( -2.242 2.242 -4.513) 5.516 12.809 ( 3.948 -3.948 -19.180) 19.976 13.331 ( 0.284 -0.284 -3.967) 3.987 14.430 ( 0.272 -0.272 13.256) 13.261 14.474 ( -0.289 0.289 21.585) 21.589 22.560 ( 2.202 -2.202 1.139) 3.316 22.561 ( 2.302 -2.301 1.463) 3.569 23.848 ( 1.776 -1.776 -3.849) 4.596 23.912 ( 4.895 -4.895 -0.765) 6.965 25.319 ( 0.834 -0.834 -9.737) 9.808 25.432 ( 0.766 -0.766 -0.658) 1.267 25.726 ( -4.159 4.159 -14.328) 15.488 26.539 ( -4.574 4.574 19.353) 20.405 ======================= Grid point 250 (82/90) ======================= q-point: (-0.45 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 228 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -0.000 3.674 13.682) 14.166 2.375 ( -0.000 -27.815 10.846) 29.855 3.264 ( -0.000 1.503 20.930) 20.984 3.293 ( 0.000 -0.589 -17.126) 17.136 3.398 ( -0.000 -9.772 -15.676) 18.472 4.455 ( -0.000 -0.870 33.359) 33.370 4.731 ( 0.000 7.856 -12.393) 14.673 4.739 ( 0.000 2.722 -23.737) 23.893 4.835 ( 0.000 -1.514 -11.782) 11.879 5.382 ( 0.000 9.957 6.099) 11.677 5.511 ( -0.000 -2.254 5.963) 6.375 6.161 ( 0.000 2.802 5.482) 6.157 6.780 ( 0.000 -2.215 -8.898) 9.169 7.100 ( 0.000 -0.871 -3.170) 3.288 7.160 ( 0.000 4.720 -9.648) 10.741 7.698 ( 0.000 1.578 -5.745) 5.958 7.830 ( -0.000 -9.315 -7.424) 11.912 8.337 ( -0.000 7.166 17.794) 19.183 8.553 ( 0.000 6.160 11.530) 13.072 8.703 ( -0.000 -5.930 10.563) 12.114 10.143 ( -0.000 0.615 9.892) 9.911 10.219 ( -0.000 -7.078 8.747) 11.252 12.142 ( 0.000 5.322 -18.686) 19.429 12.440 ( 0.000 0.094 -10.040) 10.041 12.466 ( 0.000 -2.266 -11.278) 11.503 13.209 ( 0.000 0.121 -6.224) 6.225 14.702 ( -0.000 1.177 13.791) 13.841 14.971 ( -0.000 -0.201 23.706) 23.707 22.549 ( -0.000 -0.379 2.422) 2.452 22.602 ( -0.000 -5.452 2.547) 6.018 23.743 ( 0.000 1.246 -3.647) 3.854 23.816 ( -0.000 -5.475 -4.583) 7.140 25.051 ( 0.000 0.875 -14.608) 14.634 25.400 ( 0.000 -0.612 -1.732) 1.837 25.590 ( 0.000 1.988 -3.864) 4.345 26.923 ( -0.000 4.362 13.687) 14.365 ======================= Grid point 257 (83/90) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.284 ( -0.000 -0.000 5.991) 5.991 2.284 ( -0.000 -0.000 5.991) 5.991 2.958 ( 0.000 0.000 -12.188) 12.188 2.958 ( 0.000 0.000 -12.188) 12.188 3.802 ( -0.000 -0.000 28.519) 28.519 4.238 ( 0.000 0.000 -25.860) 25.860 4.541 ( 0.000 0.000 -14.081) 14.081 4.541 ( 0.000 0.000 -14.081) 14.081 4.957 ( -0.000 -0.000 11.190) 11.190 5.606 ( -0.000 -0.000 5.201) 5.201 5.606 ( -0.000 -0.000 5.201) 5.201 6.243 ( -0.000 -0.000 0.252) 0.252 6.554 ( 0.000 0.000 -9.880) 9.880 7.006 ( 0.000 0.000 -10.326) 10.326 7.068 ( -0.000 -0.000 4.346) 4.346 7.605 ( 0.000 0.000 -4.391) 4.391 7.605 ( 0.000 0.000 -4.391) 4.391 8.811 ( -0.000 -0.000 7.574) 7.574 8.811 ( -0.000 -0.000 7.574) 7.574 8.817 ( -0.000 -0.000 18.363) 18.363 10.341 ( -0.000 -0.000 8.100) 8.100 10.341 ( -0.000 -0.000 8.100) 8.100 11.877 ( 0.000 0.000 -10.814) 10.814 12.230 ( 0.000 0.000 -9.706) 9.706 12.230 ( 0.000 0.000 -9.706) 9.706 13.137 ( 0.000 0.000 -1.232) 1.232 14.966 ( -0.000 -0.000 11.082) 11.082 15.396 ( -0.000 -0.000 16.731) 16.731 22.598 ( -0.000 -0.000 2.663) 2.663 22.598 ( -0.000 -0.000 2.663) 2.663 23.674 ( 0.000 0.000 -4.147) 4.147 23.674 ( 0.000 0.000 -4.147) 4.147 24.807 ( 0.000 0.000 -9.776) 9.776 25.360 ( 0.000 0.000 -1.290) 1.290 25.572 ( 0.000 0.000 -0.071) 0.071 27.188 ( -0.000 -0.000 7.633) 7.633 ======================= Grid point 295 (84/90) ======================= q-point: ( 0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.536 ( -0.000 8.779 0.000) 8.779 2.775 ( 0.000 -1.095 -0.000) 1.095 3.001 ( 0.000 -24.889 -0.000) 24.889 3.293 ( 0.000 -5.354 -0.000) 5.354 3.672 ( -0.000 2.461 0.000) 2.461 4.123 ( 0.000 -8.069 -0.000) 8.069 4.760 ( -0.000 19.856 0.000) 19.856 4.938 ( -0.000 11.215 0.000) 11.215 5.165 ( 0.000 -0.756 -0.000) 0.756 5.225 ( 0.000 -2.497 -0.000) 2.497 5.520 ( -0.000 9.808 0.000) 9.808 5.734 ( 0.000 -1.644 -0.000) 1.644 7.015 ( -0.000 1.653 0.000) 1.653 7.098 ( 0.000 -2.235 -0.000) 2.235 7.386 ( -0.000 12.657 0.000) 12.657 7.528 ( -0.000 4.838 0.000) 4.838 7.769 ( -0.000 14.819 0.000) 14.819 8.080 ( 0.000 -2.137 -0.000) 2.137 8.393 ( 0.000 -8.724 -0.000) 8.724 8.592 ( 0.000 -17.457 -0.000) 17.457 9.881 ( -0.000 2.123 0.000) 2.123 10.293 ( 0.000 -17.506 -0.000) 17.506 12.404 ( -0.000 11.680 0.000) 11.680 12.654 ( -0.000 0.832 0.000) 0.832 12.999 ( -0.000 9.194 0.000) 9.194 13.450 ( 0.000 -10.597 -0.000) 10.597 14.165 ( -0.000 3.356 0.000) 3.356 14.348 ( 0.000 -4.725 -0.000) 4.725 22.506 ( 0.000 -0.627 -0.000) 0.627 22.705 ( 0.000 -9.335 -0.000) 9.335 23.782 ( -0.000 2.516 0.000) 2.516 24.111 ( 0.000 -12.229 -0.000) 12.229 25.385 ( -0.000 0.491 0.000) 0.491 25.510 ( 0.000 -4.895 -0.000) 4.895 25.925 ( -0.000 13.012 0.000) 13.012 26.138 ( -0.000 3.174 0.000) 3.174 ======================= Grid point 296 (85/90) ======================= q-point: ( 0.36 -0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 2.073 ( -3.858 -34.014 -0.000) 34.232 2.073 ( 34.014 3.858 -0.000) 34.232 3.128 ( -3.756 0.729 0.000) 3.826 3.128 ( -0.729 3.756 0.000) 3.826 3.850 ( -1.269 -12.527 -0.000) 12.591 3.850 ( 12.527 1.269 -0.000) 12.591 5.067 ( -10.222 3.376 0.000) 10.765 5.067 ( -3.376 10.222 0.000) 10.765 5.147 ( -4.233 -1.209 0.000) 4.402 5.147 ( 1.209 4.233 0.000) 4.402 5.667 ( -2.482 1.806 0.000) 3.069 5.667 ( -1.806 2.482 0.000) 3.069 7.052 ( -0.194 -0.262 0.000) 0.326 7.052 ( 0.262 0.194 0.000) 0.326 7.555 ( -6.536 6.290 0.000) 9.072 7.555 ( -6.290 6.536 0.000) 9.072 8.058 ( -4.247 0.821 0.000) 4.325 8.058 ( -0.821 4.247 0.000) 4.325 8.285 ( 5.139 -7.718 -0.000) 9.273 8.285 ( 7.718 -5.139 -0.000) 9.273 10.007 ( -1.053 -8.810 -0.000) 8.873 10.007 ( 8.810 1.053 -0.000) 8.873 12.591 ( -6.493 1.356 0.000) 6.633 12.591 ( -1.356 6.493 0.000) 6.633 13.219 ( -0.134 -3.650 0.000) 3.652 13.219 ( 3.650 0.134 0.000) 3.652 14.248 ( -1.817 -2.204 0.000) 2.857 14.248 ( 2.204 1.817 0.000) 2.857 22.547 ( -0.218 -4.844 -0.000) 4.849 22.547 ( 4.844 0.218 -0.000) 4.849 23.904 ( -0.527 -7.211 -0.000) 7.230 23.904 ( 7.211 0.527 -0.000) 7.230 25.422 ( 0.215 -2.234 0.000) 2.245 25.422 ( 2.234 -0.215 0.000) 2.245 26.115 ( -5.018 4.379 0.000) 6.660 26.115 ( -4.379 5.018 0.000) 6.660 ======================= Grid point 303 (86/90) ======================= q-point: ( 0.49 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.000 4.290 9.520) 10.442 2.188 ( -0.000 -31.942 7.068) 32.715 2.994 ( 0.000 2.524 3.798) 4.560 3.589 ( 0.000 0.428 -11.226) 11.234 3.595 ( -0.000 0.710 9.107) 9.135 3.846 ( -0.000 -11.131 12.786) 16.952 4.953 ( 0.000 8.756 -9.862) 13.189 5.036 ( 0.000 0.225 -7.382) 7.386 5.172 ( 0.000 6.384 -14.514) 15.856 5.264 ( 0.000 8.280 4.985) 9.665 5.413 ( -0.000 -3.845 -0.529) 3.881 5.988 ( -0.000 2.626 11.809) 12.097 6.936 ( 0.000 -1.135 -6.645) 6.741 7.120 ( -0.000 -0.224 1.460) 1.478 7.372 ( 0.000 6.810 -11.605) 13.456 7.843 ( 0.000 3.681 -8.708) 9.454 7.925 ( 0.000 5.508 9.030) 10.577 8.058 ( -0.000 -8.519 -1.449) 8.641 8.303 ( -0.000 5.768 12.864) 14.098 8.477 ( -0.000 -8.618 11.679) 14.515 9.977 ( -0.000 0.988 6.002) 6.083 10.073 ( -0.000 -8.463 5.273) 9.971 12.497 ( 0.000 8.282 -11.754) 14.379 12.606 ( 0.000 0.325 -5.937) 5.946 12.751 ( 0.000 -3.290 -20.132) 20.399 13.331 ( 0.000 -1.257 -3.653) 3.863 14.410 ( -0.000 2.282 14.692) 14.868 14.494 ( -0.000 -2.499 20.605) 20.756 22.510 ( -0.000 -0.363 1.388) 1.435 22.563 ( -0.000 -5.414 1.338) 5.577 23.803 ( 0.000 1.474 -2.155) 2.610 23.887 ( -0.000 -6.543 -2.463) 6.992 25.308 ( 0.000 -0.676 -8.673) 8.699 25.426 ( -0.000 -1.215 -0.649) 1.378 25.769 ( 0.000 4.373 -15.233) 15.848 26.588 ( -0.000 4.100 19.369) 19.798 ======================= Grid point 310 (87/90) ======================= q-point: (-0.38 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.000 -0.000 13.321) 13.321 2.058 ( -0.000 -0.000 13.321) 13.321 3.278 ( -0.000 -0.000 21.441) 21.441 3.286 ( 0.000 0.000 -17.496) 17.496 3.286 ( 0.000 0.000 -17.496) 17.496 4.450 ( -0.000 -0.000 34.284) 34.284 4.765 ( 0.000 0.000 -26.089) 26.089 4.816 ( 0.000 0.000 -12.709) 12.709 4.816 ( 0.000 0.000 -12.709) 12.709 5.488 ( -0.000 -0.000 6.487) 6.487 5.488 ( -0.000 -0.000 6.487) 6.487 6.189 ( -0.000 -0.000 5.428) 5.428 6.754 ( 0.000 0.000 -9.396) 9.396 7.093 ( 0.000 0.000 -3.223) 3.223 7.222 ( 0.000 0.000 -11.272) 11.272 7.715 ( 0.000 0.000 -6.740) 6.740 7.715 ( 0.000 0.000 -6.740) 6.740 8.439 ( -0.000 -0.000 18.925) 18.925 8.619 ( -0.000 -0.000 11.307) 11.307 8.619 ( -0.000 -0.000 11.307) 11.307 10.149 ( -0.000 -0.000 9.687) 9.687 10.149 ( -0.000 -0.000 9.687) 9.687 12.194 ( 0.000 0.000 -20.645) 20.645 12.441 ( 0.000 0.000 -10.207) 10.207 12.441 ( 0.000 0.000 -10.207) 10.207 13.212 ( 0.000 0.000 -5.738) 5.738 14.709 ( -0.000 -0.000 14.090) 14.090 14.975 ( -0.000 -0.000 24.287) 24.287 22.545 ( -0.000 -0.000 2.429) 2.429 22.545 ( -0.000 -0.000 2.429) 2.429 23.756 ( 0.000 0.000 -3.806) 3.806 23.756 ( 0.000 0.000 -3.806) 3.806 25.060 ( 0.000 0.000 -14.119) 14.119 25.393 ( 0.000 0.000 -1.662) 1.662 25.612 ( 0.000 0.000 -4.768) 4.768 26.970 ( -0.000 -0.000 13.957) 13.957 ======================= Grid point 357 (88/90) ======================= q-point: ( 0.43 -0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.000 4.574 0.000) 4.574 2.113 ( 0.000 -33.569 -0.000) 33.569 3.098 ( -0.000 7.753 0.000) 7.753 3.207 ( 0.000 -2.785 -0.000) 2.785 3.708 ( -0.000 1.099 0.000) 1.099 3.863 ( 0.000 -12.658 -0.000) 12.658 5.101 ( -0.000 12.610 0.000) 12.610 5.110 ( -0.000 5.546 0.000) 5.546 5.183 ( 0.000 -1.498 -0.000) 1.498 5.211 ( -0.000 2.666 0.000) 2.666 5.665 ( -0.000 4.184 0.000) 4.184 5.710 ( 0.000 -0.709 -0.000) 0.709 7.041 ( -0.000 0.938 0.000) 0.938 7.063 ( 0.000 -1.129 -0.000) 1.129 7.621 ( -0.000 9.736 0.000) 9.736 7.646 ( -0.000 6.415 0.000) 6.415 8.025 ( -0.000 9.139 0.000) 9.139 8.077 ( -0.000 0.983 0.000) 0.983 8.220 ( 0.000 -7.742 -0.000) 7.742 8.264 ( 0.000 -13.811 -0.000) 13.811 9.915 ( -0.000 1.153 0.000) 1.153 10.019 ( 0.000 -8.979 -0.000) 8.979 12.599 ( -0.000 6.837 0.000) 6.837 12.667 ( -0.000 0.401 0.000) 0.401 13.138 ( -0.000 4.292 0.000) 4.292 13.258 ( 0.000 -7.198 -0.000) 7.198 14.222 ( -0.000 2.022 0.000) 2.022 14.271 ( 0.000 -2.651 -0.000) 2.651 22.496 ( 0.000 -0.344 -0.000) 0.344 22.550 ( 0.000 -5.458 -0.000) 5.458 23.825 ( -0.000 1.551 0.000) 1.551 23.912 ( 0.000 -6.779 -0.000) 6.779 25.392 ( -0.000 0.255 0.000) 0.255 25.426 ( 0.000 -2.972 -0.000) 2.972 26.136 ( -0.000 7.227 0.000) 7.227 26.192 ( -0.000 1.896 0.000) 1.896 ======================= Grid point 364 (89/90) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.819 ( -0.000 -0.000 9.267) 9.267 1.819 ( -0.000 -0.000 9.267) 9.267 3.015 ( -0.000 -0.000 3.154) 3.154 3.593 ( 0.000 0.000 -11.801) 11.801 3.593 ( 0.000 0.000 -11.801) 11.801 3.735 ( -0.000 -0.000 33.994) 33.994 5.037 ( 0.000 0.000 -9.134) 9.134 5.037 ( 0.000 0.000 -9.134) 9.134 5.271 ( 0.000 0.000 -23.786) 23.786 5.350 ( -0.000 -0.000 6.937) 6.937 5.350 ( -0.000 -0.000 6.937) 6.937 6.015 ( -0.000 -0.000 12.052) 12.052 6.924 ( 0.000 0.000 -7.431) 7.431 7.118 ( -0.000 -0.000 1.163) 1.163 7.462 ( 0.000 0.000 -12.729) 12.729 7.881 ( 0.000 0.000 -9.765) 9.765 7.881 ( 0.000 0.000 -9.765) 9.765 8.069 ( -0.000 -0.000 17.574) 17.574 8.369 ( -0.000 -0.000 13.194) 13.194 8.369 ( -0.000 -0.000 13.194) 13.194 9.987 ( -0.000 -0.000 5.845) 5.845 9.987 ( -0.000 -0.000 5.845) 5.845 12.609 ( 0.000 0.000 -6.020) 6.020 12.609 ( 0.000 0.000 -6.020) 6.020 12.684 ( 0.000 0.000 -26.799) 26.799 13.322 ( 0.000 0.000 -2.897) 2.897 14.423 ( -0.000 -0.000 13.419) 13.419 14.480 ( -0.000 -0.000 22.301) 22.301 22.506 ( -0.000 -0.000 1.373) 1.373 22.506 ( -0.000 -0.000 1.373) 1.373 23.818 ( 0.000 0.000 -2.236) 2.236 23.818 ( 0.000 0.000 -2.236) 2.236 25.299 ( 0.000 0.000 -8.108) 8.108 25.414 ( 0.000 0.000 -0.219) 0.219 25.814 ( 0.000 0.000 -16.066) 16.066 26.632 ( -0.000 -0.000 19.383) 19.383 ======================= Grid point 419 (90/90) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.721 ( -0.000 0.000 0.000) 0.000 1.721 ( -0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.180 ( -0.000 0.000 0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 3.719 ( -0.000 0.000 0.000) 0.000 5.167 ( -0.000 0.000 0.000) 0.000 5.167 ( -0.000 0.000 0.000) 0.000 5.239 ( 0.000 -0.000 -0.000) 0.000 5.239 ( -0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.703 ( -0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.051 ( -0.000 0.000 0.000) 0.000 7.740 ( 0.000 0.000 0.000) 0.000 7.740 ( -0.000 0.000 0.000) 0.000 8.091 ( 0.000 -0.000 -0.000) 0.000 8.091 ( -0.000 0.000 0.000) 0.000 8.121 ( 0.000 -0.000 -0.000) 0.000 8.121 ( -0.000 0.000 0.000) 0.000 9.927 ( -0.000 0.000 0.000) 0.000 9.927 ( -0.000 0.000 0.000) 0.000 12.671 ( -0.000 0.000 0.000) 0.000 12.671 ( -0.000 0.000 0.000) 0.000 13.181 ( 0.000 0.000 0.000) 0.000 13.181 ( -0.000 0.000 0.000) 0.000 14.243 ( 0.000 0.000 0.000) 0.000 14.243 ( -0.000 0.000 0.000) 0.000 22.492 ( -0.000 0.000 0.000) 0.000 22.492 ( -0.000 0.000 0.000) 0.000 23.842 ( -0.000 0.000 0.000) 0.000 23.842 ( -0.000 0.000 0.000) 0.000 25.395 ( 0.000 0.000 0.000) 0.000 25.395 ( -0.000 0.000 0.000) 0.000 26.212 ( 0.000 0.000 0.000) 0.000 26.212 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28224 10.0 15625.881 15625.881 19822.678 0.000 -0.000 -0.000 3/28224 20.0 2222.213 2222.213 2572.883 0.000 -0.000 -0.000 3/28224 30.0 672.295 672.295 751.049 0.000 -0.000 -0.000 3/28224 40.0 322.098 322.098 355.046 0.000 -0.000 -0.000 3/28224 50.0 189.446 189.446 209.891 0.000 -0.000 -0.000 3/28224 60.0 126.514 126.514 141.458 0.000 -0.000 -0.000 3/28224 70.0 92.119 92.119 103.799 0.000 -0.000 -0.000 3/28224 80.0 71.289 71.289 80.756 0.000 -0.000 -0.000 3/28224 90.0 57.663 57.663 65.538 0.000 -0.000 -0.000 3/28224 100.0 48.204 48.204 54.897 0.000 -0.000 -0.000 3/28224 110.0 41.323 41.323 47.118 0.000 -0.000 -0.000 3/28224 120.0 36.127 36.127 41.226 0.000 -0.000 -0.000 3/28224 130.0 32.082 32.082 36.633 0.000 -0.000 -0.000 3/28224 140.0 28.853 28.853 32.964 0.000 -0.000 -0.000 3/28224 150.0 26.220 26.220 29.975 0.000 -0.000 -0.000 3/28224 160.0 24.034 24.034 27.495 0.000 -0.000 -0.000 3/28224 170.0 22.192 22.192 25.409 0.000 -0.000 -0.000 3/28224 180.0 20.620 20.620 23.630 0.000 -0.000 -0.000 3/28224 190.0 19.262 19.262 22.096 0.000 -0.000 -0.000 3/28224 200.0 18.078 18.078 20.760 0.000 -0.000 -0.000 3/28224 210.0 17.036 17.036 19.586 0.000 -0.000 -0.000 3/28224 220.0 16.112 16.112 18.547 0.000 -0.000 -0.000 3/28224 230.0 15.287 15.287 17.620 0.000 -0.000 0.000 3/28224 240.0 14.546 14.546 16.788 0.000 -0.000 0.000 3/28224 250.0 13.877 13.877 16.036 0.000 -0.000 0.000 3/28224 260.0 13.269 13.269 15.355 0.000 -0.000 0.000 3/28224 270.0 12.715 12.715 14.733 0.000 -0.000 0.000 3/28224 280.0 12.207 12.207 14.163 0.000 -0.000 0.000 3/28224 290.0 11.740 11.740 13.639 0.000 -0.000 0.000 3/28224 300.0 11.308 11.308 13.155 0.000 -0.000 0.000 3/28224 310.0 10.909 10.909 12.706 0.000 -0.000 0.000 3/28224 320.0 10.538 10.538 12.290 0.000 -0.000 0.000 3/28224 330.0 10.193 10.193 11.901 0.000 -0.000 0.000 3/28224 340.0 9.870 9.870 11.538 0.000 -0.000 0.000 3/28224 350.0 9.568 9.568 11.198 0.000 -0.000 0.000 3/28224 360.0 9.285 9.285 10.879 0.000 -0.000 0.000 3/28224 370.0 9.019 9.019 10.578 0.000 -0.000 0.000 3/28224 380.0 8.767 8.767 10.294 0.000 -0.000 0.000 3/28224 390.0 8.531 8.531 10.026 0.000 -0.000 0.000 3/28224 400.0 8.306 8.306 9.772 0.000 -0.000 0.000 3/28224 410.0 8.094 8.094 9.531 0.000 -0.000 0.000 3/28224 420.0 7.893 7.893 9.303 0.000 -0.000 0.000 3/28224 430.0 7.702 7.702 9.085 0.000 -0.000 0.000 3/28224 440.0 7.520 7.520 8.878 0.000 -0.000 0.000 3/28224 450.0 7.347 7.347 8.680 0.000 -0.000 0.000 3/28224 460.0 7.181 7.181 8.492 0.000 -0.000 0.000 3/28224 470.0 7.023 7.023 8.311 0.000 -0.000 0.000 3/28224 480.0 6.873 6.873 8.138 0.000 -0.000 0.000 3/28224 490.0 6.728 6.728 7.973 0.000 -0.000 0.000 3/28224 500.0 6.590 6.590 7.814 0.000 -0.000 0.000 3/28224 510.0 6.457 6.457 7.662 0.000 -0.000 0.000 3/28224 520.0 6.330 6.330 7.515 0.000 -0.000 0.000 3/28224 530.0 6.208 6.208 7.375 0.000 -0.000 0.000 3/28224 540.0 6.090 6.090 7.239 0.000 -0.000 0.000 3/28224 550.0 5.977 5.977 7.109 0.000 -0.000 0.000 3/28224 560.0 5.868 5.868 6.983 0.000 -0.000 0.000 3/28224 570.0 5.763 5.763 6.861 0.000 -0.000 0.000 3/28224 580.0 5.662 5.662 6.744 0.000 -0.000 0.000 3/28224 590.0 5.565 5.565 6.631 0.000 -0.000 0.000 3/28224 600.0 5.470 5.470 6.522 0.000 -0.000 0.000 3/28224 610.0 5.379 5.379 6.416 0.000 -0.000 0.000 3/28224 620.0 5.291 5.291 6.314 0.000 -0.000 0.000 3/28224 630.0 5.206 5.206 6.214 0.000 -0.000 0.000 3/28224 640.0 5.123 5.123 6.118 0.000 -0.000 0.000 3/28224 650.0 5.044 5.044 6.025 0.000 -0.000 0.000 3/28224 660.0 4.966 4.966 5.935 0.000 -0.000 0.000 3/28224 670.0 4.891 4.891 5.847 0.000 -0.000 0.000 3/28224 680.0 4.819 4.819 5.762 0.000 -0.000 0.000 3/28224 690.0 4.748 4.748 5.680 0.000 -0.000 0.000 3/28224 700.0 4.679 4.679 5.600 0.000 -0.000 0.000 3/28224 710.0 4.613 4.613 5.522 0.000 -0.000 0.000 3/28224 720.0 4.548 4.548 5.446 0.000 -0.000 0.000 3/28224 730.0 4.485 4.485 5.372 0.000 -0.000 0.000 3/28224 740.0 4.424 4.424 5.300 0.000 -0.000 0.000 3/28224 750.0 4.365 4.365 5.230 0.000 -0.000 0.000 3/28224 760.0 4.307 4.307 5.162 0.000 -0.000 0.000 3/28224 770.0 4.250 4.250 5.096 0.000 -0.000 0.000 3/28224 780.0 4.195 4.195 5.031 0.000 -0.000 0.000 3/28224 790.0 4.142 4.142 4.969 0.000 -0.000 0.000 3/28224 800.0 4.090 4.090 4.907 0.000 -0.000 0.000 3/28224 810.0 4.039 4.039 4.847 0.000 -0.000 0.000 3/28224 820.0 3.989 3.989 4.789 0.000 -0.000 0.000 3/28224 830.0 3.941 3.941 4.732 0.000 -0.000 0.000 3/28224 840.0 3.894 3.894 4.676 0.000 -0.000 0.000 3/28224 850.0 3.848 3.848 4.621 0.000 -0.000 0.000 3/28224 860.0 3.803 3.803 4.568 0.000 -0.000 0.000 3/28224 870.0 3.759 3.759 4.516 0.000 -0.000 0.000 3/28224 880.0 3.716 3.716 4.466 0.000 -0.000 0.000 3/28224 890.0 3.674 3.674 4.416 0.000 -0.000 0.000 3/28224 900.0 3.633 3.633 4.367 0.000 -0.000 0.000 3/28224 910.0 3.593 3.593 4.320 0.000 -0.000 0.000 3/28224 920.0 3.554 3.554 4.273 0.000 -0.000 0.000 3/28224 930.0 3.515 3.515 4.228 0.000 -0.000 0.000 3/28224 940.0 3.478 3.478 4.183 0.000 -0.000 0.000 3/28224 950.0 3.441 3.441 4.140 0.000 -0.000 0.000 3/28224 960.0 3.405 3.405 4.097 0.000 -0.000 0.000 3/28224 970.0 3.370 3.370 4.055 0.000 -0.000 0.000 3/28224 980.0 3.335 3.335 4.014 0.000 -0.000 0.000 3/28224 990.0 3.301 3.301 3.974 0.000 -0.000 0.000 3/28224 1000.0 3.268 3.268 3.935 0.000 -0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m17112.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:38:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|