# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/7ab0afdc-831a-4cce-92ec-474014ab53c2/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Sr5(AuO4)2 / I4/mmm (139) / materials id 28796](https://mdr.nims.go.jp/datasets/45000ee1-d129-48e3-8819-15627490e80b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 07:32:33]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: 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/mmm (139)Number of symmetry operations in supercell: 64------------------------------ primitive cell ------------------------------Lattice vectors: a -4.136765675000001 4.136765675000001 3.247918440000000 b 4.136765675000001 -4.136765675000001 3.247918440000000 c 4.136765675000001 4.136765675000001 -3.247918440000000Atomic positions (fractional): *1 O 0.23847133317080 0.49430996074486 0.25583862757407 15.999 2 O 0.23847133317080 0.98263270559673 0.74416137242594 15.999 3 O 0.01736729440327 0.76152866682920 0.25583862757406 15.999 4 O 0.50569003925514 0.76152866682920 0.74416137242594 15.999 5 O 0.98263270559673 0.23847133317080 0.74416137242594 15.999 6 O 0.49430996074486 0.23847133317080 0.25583862757406 15.999 7 O 0.76152866682920 0.50569003925514 0.74416137242594 15.999 8 O 0.76152866682920 0.01736729440327 0.25583862757407 15.999 *9 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 10 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 11 Sr 0.27754379002378 0.27754379002378 0.55508758004755 87.620 12 Sr 0.72245620997622 0.72245620997622 0.44491241995245 87.620 *13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *14 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 15 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967-------------------------------- unit cell ---------------------------------Lattice vectors: a 8.273531350000003 0.000000000000000 0.000000000000000 b 0.000000000000000 8.273531350000003 0.000000000000000 c 0.000000000000000 0.000000000000000 6.495836880000000Atomic positions (fractional): *1 O 0.25583862757407 0.00000000000000 0.23847133317080 15.999 > 1 2 O 0.74416137242594 0.00000000000000 0.23847133317080 15.999 > 2 3 O 0.50000000000000 0.75583862757406 0.26152866682920 15.999 > 3 4 O 0.50000000000000 0.24416137242593 0.26152866682920 15.999 > 4 5 O 0.50000000000000 0.24416137242593 0.73847133317080 15.999 > 5 6 O 0.50000000000000 0.75583862757406 0.73847133317080 15.999 > 6 7 O 0.74416137242594 0.00000000000000 0.76152866682920 15.999 > 7 8 O 0.25583862757407 0.00000000000000 0.76152866682920 15.999 > 8 9 O 0.75583862757406 0.50000000000000 0.73847133317080 15.999 > 1 10 O 0.24416137242594 0.50000000000000 0.73847133317080 15.999 > 2 11 O 0.00000000000000 0.25583862757406 0.76152866682920 15.999 > 3 12 O 0.00000000000000 0.74416137242594 0.76152866682920 15.999 > 4 13 O 0.00000000000000 0.74416137242594 0.23847133317080 15.999 > 5 14 O 0.00000000000000 0.25583862757406 0.23847133317080 15.999 > 6 15 O 0.24416137242594 0.50000000000000 0.26152866682920 15.999 > 7 16 O 0.75583862757406 0.50000000000000 0.26152866682920 15.999 > 8 *17 Sr 0.22245620997622 0.77754379002378 0.50000000000000 87.620 > 9 18 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 > 10 19 Sr 0.27754379002378 0.27754379002378 0.00000000000000 87.620 > 11 20 Sr 0.22245620997622 0.22245620997622 0.50000000000000 87.620 > 12 *21 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 13 22 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 > 9 23 Sr 0.77754379002378 0.22245620997622 0.50000000000000 87.620 > 10 24 Sr 0.77754379002378 0.77754379002378 0.50000000000000 87.620 > 11 25 Sr 0.72245620997622 0.72245620997622 0.00000000000000 87.620 > 12 26 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 13 *27 Au 0.50000000000000 0.00000000000000 0.25000000000000 196.967 > 14 28 Au 0.50000000000000 0.00000000000000 0.75000000000000 196.967 > 15 29 Au 0.00000000000000 0.50000000000000 0.75000000000000 196.967 > 14 30 Au 0.00000000000000 0.50000000000000 0.25000000000000 196.967 > 15-------------------------------- super cell --------------------------------Lattice vectors: a 8.273531350000003 0.000000000000000 0.000000000000000 b 0.000000000000000 8.273531350000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.991673759999999Atomic positions (fractional): *1 O 0.25583862757407 0.00000000000000 0.11923566658540 15.999 > 1 2 O 0.25583862757407 0.00000000000000 0.61923566658540 15.999 > 1 3 O 0.74416137242594 0.00000000000000 0.11923566658540 15.999 > 2 4 O 0.74416137242594 0.00000000000000 0.61923566658540 15.999 > 2 5 O 0.50000000000000 0.75583862757406 0.13076433341460 15.999 > 3 6 O 0.50000000000000 0.75583862757406 0.63076433341460 15.999 > 3 7 O 0.50000000000000 0.24416137242593 0.13076433341460 15.999 > 4 8 O 0.50000000000000 0.24416137242593 0.63076433341460 15.999 > 4 9 O 0.50000000000000 0.24416137242593 0.36923566658540 15.999 > 5 10 O 0.50000000000000 0.24416137242593 0.86923566658540 15.999 > 5 11 O 0.50000000000000 0.75583862757406 0.36923566658540 15.999 > 6 12 O 0.50000000000000 0.75583862757406 0.86923566658540 15.999 > 6 13 O 0.74416137242594 0.00000000000000 0.38076433341460 15.999 > 7 14 O 0.74416137242594 0.00000000000000 0.88076433341460 15.999 > 7 15 O 0.25583862757407 0.00000000000000 0.38076433341460 15.999 > 8 16 O 0.25583862757407 0.00000000000000 0.88076433341460 15.999 > 8 17 O 0.75583862757406 0.50000000000000 0.36923566658540 15.999 > 1 18 O 0.75583862757406 0.50000000000000 0.86923566658540 15.999 > 1 19 O 0.24416137242594 0.50000000000000 0.36923566658540 15.999 > 2 20 O 0.24416137242594 0.50000000000000 0.86923566658540 15.999 > 2 21 O 0.00000000000000 0.25583862757406 0.38076433341460 15.999 > 3 22 O 0.00000000000000 0.25583862757406 0.88076433341460 15.999 > 3 23 O 0.00000000000000 0.74416137242594 0.38076433341460 15.999 > 4 24 O 0.00000000000000 0.74416137242594 0.88076433341460 15.999 > 4 25 O 0.00000000000000 0.74416137242594 0.11923566658540 15.999 > 5 26 O 0.00000000000000 0.74416137242594 0.61923566658540 15.999 > 5 27 O 0.00000000000000 0.25583862757406 0.11923566658540 15.999 > 6 28 O 0.00000000000000 0.25583862757406 0.61923566658540 15.999 > 6 29 O 0.24416137242594 0.50000000000000 0.13076433341460 15.999 > 7 30 O 0.24416137242594 0.50000000000000 0.63076433341460 15.999 > 7 31 O 0.75583862757406 0.50000000000000 0.13076433341460 15.999 > 8 32 O 0.75583862757406 0.50000000000000 0.63076433341460 15.999 > 8 *33 Sr 0.22245620997622 0.77754379002378 0.25000000000000 87.620 > 9 34 Sr 0.22245620997622 0.77754379002378 0.75000000000000 87.620 > 9 35 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 > 10 36 Sr 0.27754379002378 0.72245620997622 0.50000000000000 87.620 > 10 37 Sr 0.27754379002378 0.27754379002378 0.00000000000000 87.620 > 11 38 Sr 0.27754379002378 0.27754379002378 0.50000000000000 87.620 > 11 39 Sr 0.22245620997622 0.22245620997622 0.25000000000000 87.620 > 12 40 Sr 0.22245620997622 0.22245620997622 0.75000000000000 87.620 > 12 *41 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 13 42 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 13 43 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 > 9 44 Sr 0.72245620997622 0.27754379002378 0.50000000000000 87.620 > 9 45 Sr 0.77754379002378 0.22245620997622 0.25000000000000 87.620 > 10 46 Sr 0.77754379002378 0.22245620997622 0.75000000000000 87.620 > 10 47 Sr 0.77754379002378 0.77754379002378 0.25000000000000 87.620 > 11 48 Sr 0.77754379002378 0.77754379002378 0.75000000000000 87.620 > 11 49 Sr 0.72245620997622 0.72245620997622 0.00000000000000 87.620 > 12 50 Sr 0.72245620997622 0.72245620997622 0.50000000000000 87.620 > 12 51 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 13 52 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 13 *53 Au 0.50000000000000 0.00000000000000 0.12500000000000 196.967 > 14 54 Au 0.50000000000000 0.00000000000000 0.62500000000000 196.967 > 14 55 Au 0.50000000000000 0.00000000000000 0.37500000000000 196.967 > 15 56 Au 0.50000000000000 0.00000000000000 0.87500000000000 196.967 > 15 57 Au 0.00000000000000 0.50000000000000 0.37500000000000 196.967 > 14 58 Au 0.00000000000000 0.50000000000000 0.87500000000000 196.967 > 14 59 Au 0.00000000000000 0.50000000000000 0.12500000000000 196.967 > 15 60 Au 0.00000000000000 0.50000000000000 0.62500000000000 196.967 > 15----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8711964 0.0000000 0.0000000 0.0000000 4.8711964 0.0000000 0.0000000 0.0000000 4.3175286-------------------------- Born effective charges -------------------------- 1 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 2 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 3 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 4 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 5 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 6 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 7 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 8 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 9 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 10 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 11 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 12 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 13 Sr 3.4714956 0.0000000 0.0000000 0.0000000 3.4714956 0.0000000 0.0000000 0.0000000 2.5042164 14 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797 15 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797----------------------------------------------------------------------------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: 180/180Permutation basis: 4932/4932Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 323Number of blocks in projector: 323Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 109Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 46Use standard eigh solver.Tree of FC basis block matrices:- (323, 311), data: False|-- (46, 45), data: True|-- (66, 62), data: True|-- (102, 100), data: True|-- (109, 104), data: True-----Solver_atoms: 1 -- 60 / 60Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 160 - Time: 0.080Solver_block: 160 / 160 - Time: 0.060Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.145--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 180/180Permutation basis: 4932/4932Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 323Number of blocks in projector: 323Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 109Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 102Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 66Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 46Use standard eigh solver.Tree of FC basis block matrices:- (323, 311), data: False|-- (46, 45), data: True|-- (66, 62), data: True|-- (102, 100), data: True|-- (109, 104), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 07:32:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:32:37]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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/mmm (139)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.136765675000001 4.136765675000001 3.247918440000000 b 4.136765675000001 -4.136765675000001 3.247918440000000 c 4.136765675000001 4.136765675000001 -3.247918440000000Atomic positions (fractional): 1 O 0.23847133317080 0.49430996074486 0.25583862757407 15.999 2 O 0.23847133317080 0.98263270559673 0.74416137242594 15.999 3 O 0.01736729440327 0.76152866682920 0.25583862757406 15.999 4 O 0.50569003925514 0.76152866682920 0.74416137242594 15.999 5 O 0.98263270559673 0.23847133317080 0.74416137242594 15.999 6 O 0.49430996074486 0.23847133317080 0.25583862757406 15.999 7 O 0.76152866682920 0.50569003925514 0.74416137242594 15.999 8 O 0.76152866682920 0.01736729440327 0.25583862757407 15.999 9 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 10 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 11 Sr 0.27754379002378 0.27754379002378 0.55508758004755 87.620 12 Sr 0.72245620997622 0.72245620997622 0.44491241995245 87.620 13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 14 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 15 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 8.273531350000003 0.000000000000000 0.000000000000000 b 0.000000000000000 8.273531350000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.991673759999999Atomic positions (fractional): 1 O 0.25583862757407 0.00000000000000 0.11923566658540 15.999 > 1 2 O 0.25583862757407 0.00000000000000 0.61923566658540 15.999 > 1 3 O 0.74416137242594 0.00000000000000 0.11923566658540 15.999 > 3 4 O 0.74416137242594 0.00000000000000 0.61923566658540 15.999 > 3 5 O 0.50000000000000 0.75583862757406 0.13076433341460 15.999 > 5 6 O 0.50000000000000 0.75583862757406 0.63076433341460 15.999 > 5 7 O 0.50000000000000 0.24416137242593 0.13076433341460 15.999 > 7 8 O 0.50000000000000 0.24416137242593 0.63076433341460 15.999 > 7 9 O 0.50000000000000 0.24416137242593 0.36923566658540 15.999 > 9 10 O 0.50000000000000 0.24416137242593 0.86923566658540 15.999 > 9 11 O 0.50000000000000 0.75583862757406 0.36923566658540 15.999 > 11 12 O 0.50000000000000 0.75583862757406 0.86923566658540 15.999 > 11 13 O 0.74416137242594 0.00000000000000 0.38076433341460 15.999 > 13 14 O 0.74416137242594 0.00000000000000 0.88076433341460 15.999 > 13 15 O 0.25583862757407 0.00000000000000 0.38076433341460 15.999 > 15 16 O 0.25583862757407 0.00000000000000 0.88076433341460 15.999 > 15 17 O 0.75583862757406 0.50000000000000 0.36923566658540 15.999 > 1 18 O 0.75583862757406 0.50000000000000 0.86923566658540 15.999 > 1 19 O 0.24416137242594 0.50000000000000 0.36923566658540 15.999 > 3 20 O 0.24416137242594 0.50000000000000 0.86923566658540 15.999 > 3 21 O 0.00000000000000 0.25583862757406 0.38076433341460 15.999 > 5 22 O 0.00000000000000 0.25583862757406 0.88076433341460 15.999 > 5 23 O 0.00000000000000 0.74416137242594 0.38076433341460 15.999 > 7 24 O 0.00000000000000 0.74416137242594 0.88076433341460 15.999 > 7 25 O 0.00000000000000 0.74416137242594 0.11923566658540 15.999 > 9 26 O 0.00000000000000 0.74416137242594 0.61923566658540 15.999 > 9 27 O 0.00000000000000 0.25583862757406 0.11923566658540 15.999 > 11 28 O 0.00000000000000 0.25583862757406 0.61923566658540 15.999 > 11 29 O 0.24416137242594 0.50000000000000 0.13076433341460 15.999 > 13 30 O 0.24416137242594 0.50000000000000 0.63076433341460 15.999 > 13 31 O 0.75583862757406 0.50000000000000 0.13076433341460 15.999 > 15 32 O 0.75583862757406 0.50000000000000 0.63076433341460 15.999 > 15 33 Sr 0.22245620997622 0.77754379002378 0.25000000000000 87.620 > 33 34 Sr 0.22245620997622 0.77754379002378 0.75000000000000 87.620 > 33 35 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 > 35 36 Sr 0.27754379002378 0.72245620997622 0.50000000000000 87.620 > 35 37 Sr 0.27754379002378 0.27754379002378 0.00000000000000 87.620 > 37 38 Sr 0.27754379002378 0.27754379002378 0.50000000000000 87.620 > 37 39 Sr 0.22245620997622 0.22245620997622 0.25000000000000 87.620 > 39 40 Sr 0.22245620997622 0.22245620997622 0.75000000000000 87.620 > 39 41 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 41 42 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 41 43 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 > 33 44 Sr 0.72245620997622 0.27754379002378 0.50000000000000 87.620 > 33 45 Sr 0.77754379002378 0.22245620997622 0.25000000000000 87.620 > 35 46 Sr 0.77754379002378 0.22245620997622 0.75000000000000 87.620 > 35 47 Sr 0.77754379002378 0.77754379002378 0.25000000000000 87.620 > 37 48 Sr 0.77754379002378 0.77754379002378 0.75000000000000 87.620 > 37 49 Sr 0.72245620997622 0.72245620997622 0.00000000000000 87.620 > 39 50 Sr 0.72245620997622 0.72245620997622 0.50000000000000 87.620 > 39 51 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 41 52 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 41 53 Au 0.50000000000000 0.00000000000000 0.12500000000000 196.967 > 53 54 Au 0.50000000000000 0.00000000000000 0.62500000000000 196.967 > 53 55 Au 0.50000000000000 0.00000000000000 0.37500000000000 196.967 > 55 56 Au 0.50000000000000 0.00000000000000 0.87500000000000 196.967 > 55 57 Au 0.00000000000000 0.50000000000000 0.37500000000000 196.967 > 53 58 Au 0.00000000000000 0.50000000000000 0.87500000000000 196.967 > 53 59 Au 0.00000000000000 0.50000000000000 0.12500000000000 196.967 > 55 60 Au 0.00000000000000 0.50000000000000 0.62500000000000 196.967 > 55----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.8711964 0.0000000 0.0000000 0.0000000 4.8711964 0.0000000 0.0000000 0.0000000 4.3175286-------------------------- Born effective charges -------------------------- 1 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 2 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 3 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 4 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 5 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 6 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 7 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 8 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 9 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 10 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 11 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 12 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 13 Sr 3.4714956 0.0000000 0.0000000 0.0000000 3.4714956 0.0000000 0.0000000 0.0000000 2.5042164 14 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797 15 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797----------------------------------------------------------------------------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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 53, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:32:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 07:32:40]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal 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/mmm (139)------------------------------ primitive cell ------------------------------Lattice vectors: a -4.136765675000001 4.136765675000001 3.247918440000000 b 4.136765675000001 -4.136765675000001 3.247918440000000 c 4.136765675000001 4.136765675000001 -3.247918440000000Atomic positions (fractional): 1 O 0.23847133317080 0.49430996074486 0.25583862757407 15.999 2 O 0.23847133317080 0.98263270559673 0.74416137242594 15.999 3 O 0.01736729440327 0.76152866682920 0.25583862757406 15.999 4 O 0.50569003925514 0.76152866682920 0.74416137242594 15.999 5 O 0.98263270559673 0.23847133317080 0.74416137242594 15.999 6 O 0.49430996074486 0.23847133317080 0.25583862757406 15.999 7 O 0.76152866682920 0.50569003925514 0.74416137242594 15.999 8 O 0.76152866682920 0.01736729440327 0.25583862757407 15.999 9 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 10 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 11 Sr 0.27754379002378 0.27754379002378 0.55508758004755 87.620 12 Sr 0.72245620997622 0.72245620997622 0.44491241995245 87.620 13 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 14 Au 0.25000000000000 0.75000000000000 0.50000000000000 196.967 15 Au 0.75000000000000 0.25000000000000 0.50000000000000 196.967-------------------------------- supercell ---------------------------------Lattice vectors: a 8.273531350000003 0.000000000000000 0.000000000000000 b 0.000000000000000 8.273531350000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.991673759999999Atomic positions (fractional): 1 O 0.25583862757407 0.00000000000000 0.11923566658540 15.999 > 1 2 O 0.25583862757407 0.00000000000000 0.61923566658540 15.999 > 1 3 O 0.74416137242594 0.00000000000000 0.11923566658540 15.999 > 3 4 O 0.74416137242594 0.00000000000000 0.61923566658540 15.999 > 3 5 O 0.50000000000000 0.75583862757406 0.13076433341460 15.999 > 5 6 O 0.50000000000000 0.75583862757406 0.63076433341460 15.999 > 5 7 O 0.50000000000000 0.24416137242593 0.13076433341460 15.999 > 7 8 O 0.50000000000000 0.24416137242593 0.63076433341460 15.999 > 7 9 O 0.50000000000000 0.24416137242593 0.36923566658540 15.999 > 9 10 O 0.50000000000000 0.24416137242593 0.86923566658540 15.999 > 9 11 O 0.50000000000000 0.75583862757406 0.36923566658540 15.999 > 11 12 O 0.50000000000000 0.75583862757406 0.86923566658540 15.999 > 11 13 O 0.74416137242594 0.00000000000000 0.38076433341460 15.999 > 13 14 O 0.74416137242594 0.00000000000000 0.88076433341460 15.999 > 13 15 O 0.25583862757407 0.00000000000000 0.38076433341460 15.999 > 15 16 O 0.25583862757407 0.00000000000000 0.88076433341460 15.999 > 15 17 O 0.75583862757406 0.50000000000000 0.36923566658540 15.999 > 1 18 O 0.75583862757406 0.50000000000000 0.86923566658540 15.999 > 1 19 O 0.24416137242594 0.50000000000000 0.36923566658540 15.999 > 3 20 O 0.24416137242594 0.50000000000000 0.86923566658540 15.999 > 3 21 O 0.00000000000000 0.25583862757406 0.38076433341460 15.999 > 5 22 O 0.00000000000000 0.25583862757406 0.88076433341460 15.999 > 5 23 O 0.00000000000000 0.74416137242594 0.38076433341460 15.999 > 7 24 O 0.00000000000000 0.74416137242594 0.88076433341460 15.999 > 7 25 O 0.00000000000000 0.74416137242594 0.11923566658540 15.999 > 9 26 O 0.00000000000000 0.74416137242594 0.61923566658540 15.999 > 9 27 O 0.00000000000000 0.25583862757406 0.11923566658540 15.999 > 11 28 O 0.00000000000000 0.25583862757406 0.61923566658540 15.999 > 11 29 O 0.24416137242594 0.50000000000000 0.13076433341460 15.999 > 13 30 O 0.24416137242594 0.50000000000000 0.63076433341460 15.999 > 13 31 O 0.75583862757406 0.50000000000000 0.13076433341460 15.999 > 15 32 O 0.75583862757406 0.50000000000000 0.63076433341460 15.999 > 15 33 Sr 0.22245620997622 0.77754379002378 0.25000000000000 87.620 > 33 34 Sr 0.22245620997622 0.77754379002378 0.75000000000000 87.620 > 33 35 Sr 0.27754379002378 0.72245620997622 0.00000000000000 87.620 > 35 36 Sr 0.27754379002378 0.72245620997622 0.50000000000000 87.620 > 35 37 Sr 0.27754379002378 0.27754379002378 0.00000000000000 87.620 > 37 38 Sr 0.27754379002378 0.27754379002378 0.50000000000000 87.620 > 37 39 Sr 0.22245620997622 0.22245620997622 0.25000000000000 87.620 > 39 40 Sr 0.22245620997622 0.22245620997622 0.75000000000000 87.620 > 39 41 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 41 42 Sr 0.00000000000000 0.00000000000000 0.50000000000000 87.620 > 41 43 Sr 0.72245620997622 0.27754379002378 0.00000000000000 87.620 > 33 44 Sr 0.72245620997622 0.27754379002378 0.50000000000000 87.620 > 33 45 Sr 0.77754379002378 0.22245620997622 0.25000000000000 87.620 > 35 46 Sr 0.77754379002378 0.22245620997622 0.75000000000000 87.620 > 35 47 Sr 0.77754379002378 0.77754379002378 0.25000000000000 87.620 > 37 48 Sr 0.77754379002378 0.77754379002378 0.75000000000000 87.620 > 37 49 Sr 0.72245620997622 0.72245620997622 0.00000000000000 87.620 > 39 50 Sr 0.72245620997622 0.72245620997622 0.50000000000000 87.620 > 39 51 Sr 0.50000000000000 0.50000000000000 0.25000000000000 87.620 > 41 52 Sr 0.50000000000000 0.50000000000000 0.75000000000000 87.620 > 41 53 Au 0.50000000000000 0.00000000000000 0.12500000000000 196.967 > 53 54 Au 0.50000000000000 0.00000000000000 0.62500000000000 196.967 > 53 55 Au 0.50000000000000 0.00000000000000 0.37500000000000 196.967 > 55 56 Au 0.50000000000000 0.00000000000000 0.87500000000000 196.967 > 55 57 Au 0.00000000000000 0.50000000000000 0.37500000000000 196.967 > 53 58 Au 0.00000000000000 0.50000000000000 0.87500000000000 196.967 > 53 59 Au 0.00000000000000 0.50000000000000 0.12500000000000 196.967 > 55 60 Au 0.00000000000000 0.50000000000000 0.62500000000000 196.967 > 55----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.8711964 0.0000000 0.0000000 0.0000000 4.8711964 0.0000000 0.0000000 0.0000000 4.3175286-------------------------- Born effective charges -------------------------- 1 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 2 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 3 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 4 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 5 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 0.1821106 0.0000000 0.1033653 -1.6577133 6 O -1.6332503 0.0000000 0.0000000 0.0000000 -2.6432779 -0.1821106 0.0000000 -0.1033653 -1.6577133 7 O -2.6432779 0.0000000 -0.1821106 0.0000000 -1.6332503 0.0000000 -0.1033653 0.0000000 -1.6577133 8 O -2.6432779 0.0000000 0.1821106 0.0000000 -1.6332503 0.0000000 0.1033653 0.0000000 -1.6577133 9 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 10 Sr 2.4444996 0.9880868 0.0000000 0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 11 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 12 Sr 2.4444996 -0.9880868 0.0000000 -0.9880868 2.4444996 0.0000000 0.0000000 0.0000000 2.7726624 13 Sr 3.4714956 0.0000000 0.0000000 0.0000000 3.4714956 0.0000000 0.0000000 0.0000000 2.5042164 14 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797 15 Au 1.9283094 0.0000000 0.0000000 0.0000000 1.9283094 0.0000000 0.0000000 0.0000000 -0.1665797----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyx) 0.00000000 (yyx) 0.00000000 (yxy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 2 6 48 ]Grid generation matrix: [ 0 6 6 ] [ 6 0 6 ] [ 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: 0.69, Number of G-points: 309, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/74) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 2.217 ( 0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 7.624 ( 0.000 0.000 0.000) 0.000 8.507 ( 0.000 0.000 0.000) 0.000 8.511 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.644 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.396 ( 0.000 0.000 0.000) 0.000 10.476 ( 0.000 0.000 0.000) 0.000 10.744 ( 0.000 0.000 0.000) 0.000 12.947 ( 0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.044 ( 0.000 0.000 0.000) 0.000 16.301 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 0.000) 0.000 17.716 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/74) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 88Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( -0.000 0.000 0.000) 0.000 2.112 ( -0.000 0.000 0.000) 0.000 2.219 ( -0.000 0.000 0.000) 0.000 2.330 ( -0.000 -0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.983 ( -0.000 -0.000 -0.000) 0.000 3.173 ( 0.000 0.000 0.000) 0.000 3.424 ( -0.000 0.000 0.000) 0.000 3.561 ( 0.000 0.000 -0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 4.043 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 -0.000) 0.000 4.346 ( -0.000 0.000 0.000) 0.000 4.430 ( -0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 -0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 4.824 ( -0.000 -0.000 0.000) 0.000 4.951 ( -0.000 -0.000 0.000) 0.000 4.951 ( 0.000 0.000 -0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 7.169 ( -0.000 -0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.886 ( -0.000 -0.000 -0.000) 0.000 8.009 ( 0.000 0.000 -0.000) 0.000 8.830 ( -0.000 0.000 0.000) 0.000 8.894 ( -0.000 0.000 0.000) 0.000 9.163 ( 0.000 0.000 -0.000) 0.000 9.470 ( 0.000 0.000 0.000) 0.000 9.697 ( 0.000 0.000 -0.000) 0.000 9.801 ( -0.000 -0.000 0.000) 0.000 10.123 ( -0.000 0.000 0.000) 0.000 10.315 ( 0.000 0.000 0.000) 0.000 11.199 ( -0.000 0.000 0.000) 0.000 11.309 ( 0.000 0.000 0.000) 0.000 11.585 ( -0.000 -0.000 0.000) 0.000 11.596 ( 0.000 -0.000 -0.000) 0.000 15.511 ( -0.000 -0.000 0.000) 0.000 15.606 ( 0.000 0.000 -0.000) 0.000 15.890 ( -0.000 0.000 0.000) 0.000 16.094 ( -0.000 0.000 0.000) 0.000 16.525 ( -0.000 -0.000 0.000) 0.000 16.584 ( 0.000 0.000 -0.000) 0.000 17.016 ( -0.000 0.000 0.000) 0.000 17.271 ( 0.000 -0.000 -0.000) 0.000======================= Grid point 3 (3/74) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( -4.590 -9.868 -12.061) 16.246 2.082 ( -2.000 4.709 0.491) 5.140 2.174 ( -1.963 8.579 -1.432) 8.916 2.372 ( 12.934 -13.679 -6.706) 19.984 2.469 ( -9.044 6.329 2.378) 11.291 2.557 ( -3.724 1.038 2.617) 4.669 2.929 ( 2.734 -0.787 -6.513) 7.107 3.132 ( -12.095 -1.428 0.319) 12.183 3.426 ( 7.285 6.722 1.562) 10.035 3.768 ( 12.912 -6.251 -5.320) 15.300 3.949 ( 4.983 -3.803 2.980) 6.940 4.019 ( 3.142 -3.865 -5.811) 7.654 4.059 ( -1.516 1.417 2.945) 3.603 4.343 ( 4.730 -8.431 -9.133) 13.299 4.441 ( 1.209 3.462 14.879) 15.324 4.646 ( -1.427 -5.055 25.371) 25.909 4.765 ( -2.455 -0.944 8.034) 8.453 4.900 ( -4.216 2.688 -11.101) 12.175 4.991 ( 3.106 6.328 5.288) 8.812 5.039 ( -4.796 8.556 -27.868) 29.544 5.472 ( -4.298 -3.444 -0.104) 5.509 6.883 ( 8.200 -16.986 7.448) 20.279 7.583 ( 1.417 11.043 -1.440) 11.226 7.751 ( -6.184 0.649 -2.122) 6.571 8.171 ( 9.293 -1.531 -5.586) 10.950 8.715 ( -5.986 1.981 7.395) 9.718 9.039 ( 4.873 -0.365 -2.451) 5.467 9.162 ( 5.725 -4.092 6.175) 9.362 9.448 ( -4.811 -5.631 5.481) 9.214 9.500 ( -4.381 4.424 12.308) 13.793 9.890 ( -8.524 10.280 -3.556) 13.820 10.175 ( 2.137 0.776 -3.239) 3.957 10.295 ( -0.420 -1.021 0.636) 1.274 11.103 ( 1.960 -6.850 -6.905) 9.922 11.146 ( 4.128 -10.476 -7.100) 13.311 11.643 ( 0.415 2.460 16.679) 16.864 11.830 ( -7.117 17.735 -9.095) 21.164 15.453 ( 0.853 -3.161 1.747) 3.711 15.712 ( -0.842 7.347 -2.221) 7.721 15.818 ( -5.859 1.020 -1.128) 6.054 16.010 ( -6.293 0.748 -0.925) 6.404 16.512 ( 8.974 -8.736 12.085) 17.404 16.672 ( 5.221 -0.851 -8.436) 9.957 16.959 ( 2.242 -5.725 -8.377) 10.391 17.305 ( -0.947 2.705 5.790) 6.460======================= Grid point 4 (4/74) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.483 ( 11.042 11.042 0.000) 15.616 0.646 ( 15.672 15.672 0.000) 22.164 1.584 ( 36.899 36.899 0.000) 52.183 2.163 ( -3.207 -3.207 0.000) 4.536 2.253 ( -3.866 -3.866 0.000) 5.468 2.708 ( -8.457 -8.457 0.000) 11.960 2.748 ( 4.311 4.311 0.000) 6.097 2.754 ( -3.646 -3.646 0.000) 5.156 3.057 ( 6.160 6.160 0.000) 8.711 3.359 ( -4.438 -4.438 0.000) 6.276 3.394 ( -4.176 -4.176 0.000) 5.906 3.535 ( -0.391 -0.391 0.000) 0.554 3.734 ( 14.872 14.872 0.000) 21.033 4.258 ( -10.185 -10.185 0.000) 14.404 4.365 ( -4.306 -4.306 0.000) 6.090 4.665 ( 3.569 3.569 0.000) 5.047 5.029 ( 3.295 3.295 0.000) 4.659 5.266 ( 3.133 3.133 0.000) 4.431 5.319 ( 4.773 4.773 0.000) 6.750 5.383 ( -2.596 -2.596 0.000) 3.671 6.256 ( -6.574 -6.574 0.000) 9.297 6.775 ( -10.538 -10.538 0.000) 14.903 7.031 ( 5.362 5.362 0.000) 7.582 7.103 ( 2.010 2.010 0.000) 2.843 7.844 ( 7.418 7.418 0.000) 10.490 8.079 ( -15.662 -15.662 0.000) 22.150 8.524 ( 0.586 0.586 0.000) 0.828 9.559 ( -2.414 -2.414 0.000) 3.414 9.825 ( -6.383 -6.383 0.000) 9.027 9.835 ( 3.251 3.251 0.000) 4.597 9.938 ( -11.629 -11.629 0.000) 16.446 10.016 ( 13.131 13.131 0.000) 18.571 10.367 ( 0.122 0.122 0.000) 0.173 10.705 ( -1.466 -1.466 0.000) 2.073 10.896 ( 9.968 9.968 0.000) 14.097 11.193 ( 5.926 5.926 0.000) 8.381 12.817 ( -6.321 -6.321 0.000) 8.940 15.497 ( 0.182 0.182 0.000) 0.258 15.695 ( -2.723 -2.723 0.000) 3.851 15.723 ( -1.628 -1.628 0.000) 2.302 15.998 ( -2.105 -2.105 0.000) 2.977 16.367 ( 2.716 2.716 0.000) 3.841 16.385 ( 1.134 1.134 0.000) 1.603 17.652 ( -2.868 -2.868 0.000) 4.057 18.346 ( -1.962 -1.962 0.000) 2.775======================= Grid point 5 (5/74) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 113Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.845 ( 6.361 6.361 0.000) 8.996 1.231 ( 12.929 12.929 0.000) 18.284 1.969 ( -6.103 -6.103 0.000) 8.631 2.046 ( -5.245 -5.245 0.000) 7.418 2.434 ( -2.480 -2.480 0.000) 3.507 2.678 ( 0.316 0.316 0.000) 0.447 2.851 ( 19.230 19.230 0.000) 27.195 2.988 ( 6.035 6.035 0.000) 8.535 3.157 ( -5.174 -5.174 0.000) 7.317 3.184 ( -5.280 -5.280 0.000) 7.468 3.325 ( 6.759 6.759 0.000) 9.559 3.491 ( -1.383 -1.383 0.000) 1.957 3.948 ( -0.257 -0.257 0.000) 0.363 4.147 ( -6.217 -6.217 0.000) 8.793 4.341 ( 13.373 13.373 0.000) 18.913 4.817 ( 3.609 3.609 0.000) 5.104 5.060 ( -1.609 -1.609 0.000) 2.276 5.254 ( -3.331 -3.331 0.000) 4.711 5.456 ( 5.921 5.921 0.000) 8.374 5.508 ( 3.798 3.798 0.000) 5.371 5.857 ( -12.813 -12.813 0.000) 18.120 6.347 ( -9.859 -9.859 0.000) 13.943 7.193 ( 2.036 2.036 0.000) 2.880 7.296 ( 6.773 6.773 0.000) 9.578 7.509 ( -10.982 -10.982 0.000) 15.532 8.095 ( 4.535 4.535 0.000) 6.413 8.550 ( 0.570 0.570 0.000) 0.806 9.466 ( -9.260 -9.260 0.000) 13.095 9.481 ( -1.360 -1.360 0.000) 1.923 9.591 ( -5.870 -5.870 0.000) 8.301 9.949 ( 2.186 2.186 0.000) 3.092 10.374 ( 0.229 0.229 0.000) 0.324 10.473 ( 8.394 8.394 0.000) 11.871 10.650 ( -1.140 -1.140 0.000) 1.612 11.215 ( 5.580 5.580 0.000) 7.892 11.519 ( 10.034 10.034 0.000) 14.190 12.462 ( -10.812 -10.812 0.000) 15.291 15.508 ( 0.307 0.307 0.000) 0.435 15.586 ( -2.219 -2.219 0.000) 3.139 15.654 ( -1.510 -1.510 0.000) 2.135 15.900 ( -2.294 -2.294 0.000) 3.245 16.432 ( 0.988 0.988 0.000) 1.398 16.474 ( 2.166 2.166 0.000) 3.063 17.526 ( -2.813 -2.813 0.000) 3.978 18.258 ( -2.014 -2.014 0.000) 2.848======================= Grid point 9 (6/74) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.972 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.682 ( -0.000 -0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.518 ( -0.000 -0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.588 ( 0.000 0.000 0.000) 0.000 5.635 ( -0.000 -0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.562 ( 0.000 0.000 0.000) 0.000 9.250 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.996 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.625 ( 0.000 0.000 0.000) 0.000 10.647 ( 0.000 0.000 0.000) 0.000 11.329 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.037 ( -0.000 -0.000 0.000) 0.000 15.516 ( 0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 15.621 ( 0.000 0.000 0.000) 0.000 15.848 ( 0.000 0.000 0.000) 0.000 16.453 ( 0.000 0.000 0.000) 0.000 16.520 ( 0.000 0.000 0.000) 0.000 17.464 ( 0.000 0.000 0.000) 0.000 18.213 ( 0.000 0.000 0.000) 0.000======================= Grid point 15 (7/74) =======================q-point: ( 0.15 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.781 ( 0.000 28.755 9.266) 30.211 0.909 ( -0.000 19.692 24.629) 31.533 1.187 ( 0.000 30.929 26.360) 40.638 2.213 ( -0.000 -4.155 2.273) 4.736 2.472 ( -0.000 -2.972 17.465) 17.716 2.680 ( 0.000 -2.352 -3.011) 3.821 2.733 ( -0.000 -7.358 0.940) 7.418 2.760 ( 0.000 -3.009 -3.147) 4.354 3.124 ( 0.000 8.951 -2.889) 9.406 3.453 ( -0.000 -3.576 1.361) 3.827 3.454 ( 0.000 13.025 0.796) 13.049 3.467 ( 0.000 3.539 1.596) 3.882 3.788 ( -0.000 -13.353 19.036) 23.252 4.371 ( -0.000 -13.698 2.242) 13.880 4.501 ( -0.000 -2.814 2.792) 3.964 4.509 ( 0.000 -1.677 -3.647) 4.014 4.976 ( 0.000 14.833 -4.385) 15.468 5.205 ( 0.000 -0.102 -1.346) 1.350 5.298 ( 0.000 8.590 -0.651) 8.615 5.360 ( -0.000 -5.739 -1.641) 5.969 5.835 ( 0.000 20.890 -23.931) 31.766 6.944 ( 0.000 6.309 -3.378) 7.156 7.033 ( -0.000 -4.820 6.568) 8.147 7.046 ( -0.000 -3.927 4.239) 5.778 7.880 ( -0.000 10.514 11.388) 15.499 8.239 ( -0.000 -22.786 -0.080) 22.786 9.360 ( -0.000 -37.405 41.039) 55.527 9.682 ( 0.000 3.354 -2.580) 4.232 9.700 ( 0.000 4.228 -1.216) 4.400 9.830 ( 0.000 8.320 -3.550) 9.045 9.919 ( -0.000 -5.107 2.264) 5.586 10.089 ( -0.000 -13.354 -1.342) 13.421 10.323 ( -0.000 -5.163 2.076) 5.565 10.695 ( 0.000 -0.078 -4.611) 4.612 10.775 ( 0.000 19.151 -1.846) 19.240 11.366 ( -0.000 -19.385 23.583) 30.528 12.789 ( 0.000 -6.871 -8.689) 11.077 15.492 ( 0.000 0.812 -0.813) 1.149 15.714 ( -0.000 -5.579 1.610) 5.807 15.783 ( -0.000 0.953 1.168) 1.508 16.061 ( 0.000 1.356 0.158) 1.365 16.323 ( -0.000 -1.235 1.930) 2.291 16.429 ( 0.000 5.571 2.737) 6.207 17.385 ( 0.000 34.688 -48.719) 59.806 17.724 ( 0.000 8.386 -10.297) 13.280======================= Grid point 16 (8/74) =======================q-point: (-0.35 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.643 ( -0.000 -16.768 -9.339) 19.193 1.933 ( -0.000 -22.127 -8.697) 23.775 2.162 ( 0.000 6.303 -2.038) 6.625 2.251 ( -0.000 4.871 6.486) 8.111 2.522 ( 0.000 -3.125 -11.891) 12.295 2.642 ( 0.000 6.181 0.803) 6.233 2.745 ( -0.000 -4.900 -2.419) 5.465 3.307 ( -0.000 -4.367 -2.085) 4.839 3.375 ( 0.000 4.864 1.295) 5.033 3.381 ( 0.000 2.931 -20.667) 20.874 3.655 ( 0.000 -3.940 -13.792) 14.344 3.862 ( -0.000 -11.867 -1.027) 11.911 4.149 ( 0.000 8.739 0.118) 8.740 4.292 ( -0.000 -3.273 4.383) 5.470 4.441 ( 0.000 10.648 -28.568) 30.488 4.710 ( 0.000 1.610 -11.091) 11.207 4.792 ( -0.000 4.013 18.171) 18.609 5.002 ( -0.000 -6.655 9.568) 11.655 5.047 ( 0.000 9.677 6.838) 11.849 5.190 ( -0.000 -10.587 18.843) 21.613 5.562 ( -0.000 -5.517 5.319) 7.663 6.942 ( -0.000 -14.801 6.564) 16.191 7.445 ( 0.000 5.389 -12.056) 13.206 7.587 ( 0.000 -3.841 -18.799) 19.188 7.847 ( 0.000 16.897 -9.878) 19.573 8.709 ( 0.000 -6.153 -16.469) 17.581 9.246 ( -0.000 4.279 15.301) 15.888 9.275 ( -0.000 6.556 20.230) 21.266 9.624 ( -0.000 -8.101 5.418) 9.746 9.642 ( 0.000 13.431 -3.794) 13.957 9.906 ( 0.000 10.463 -4.606) 11.432 10.085 ( 0.000 0.325 -3.359) 3.374 10.380 ( -0.000 -2.461 8.723) 9.063 10.801 ( 0.000 -8.789 -16.027) 18.279 11.092 ( -0.000 -18.516 1.879) 18.611 11.678 ( 0.000 18.640 -13.331) 22.917 12.030 ( -0.000 8.545 19.977) 21.728 15.479 ( -0.000 -3.039 1.604) 3.436 15.671 ( 0.000 7.156 -2.620) 7.620 15.865 ( 0.000 -0.663 -1.592) 1.725 16.087 ( -0.000 -0.657 -0.032) 0.657 16.444 ( 0.000 2.501 -6.796) 7.242 16.678 ( -0.000 -12.855 16.989) 21.304 16.789 ( -0.000 -7.977 -6.292) 10.160 17.452 ( -0.000 2.842 7.994) 8.484======================= Grid point 17 (9/74) =======================q-point: (-0.35 -0.02 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.268 ( 5.667 -5.667 -16.056) 17.945 1.772 ( 22.436 -22.436 -9.802) 33.209 2.301 ( -3.368 3.368 4.941) 6.863 2.316 ( -7.124 7.124 -5.002) 11.248 2.447 ( -3.511 3.511 -14.601) 15.422 2.659 ( -1.754 1.754 2.102) 3.251 2.779 ( -3.347 3.347 -4.976) 6.867 3.109 ( 2.603 -2.603 -0.493) 3.713 3.452 ( 1.891 -1.891 -21.978) 22.140 3.529 ( 0.415 -0.415 -3.705) 3.751 3.532 ( 2.480 -2.480 -4.328) 5.571 3.787 ( 12.901 -12.901 -8.269) 20.031 4.214 ( -4.582 4.582 2.645) 6.999 4.304 ( 2.125 -2.125 10.892) 11.299 4.575 ( -7.328 7.328 -25.798) 27.802 4.703 ( -1.835 1.835 -10.547) 10.862 4.867 ( -0.961 0.961 17.203) 17.257 4.892 ( 0.905 -0.905 6.562) 6.685 5.050 ( 4.392 -4.392 14.386) 15.669 5.222 ( -1.900 1.900 6.773) 7.287 5.422 ( 3.226 -3.226 4.503) 6.410 6.781 ( 8.474 -8.474 8.390) 14.629 7.407 ( -2.095 2.095 -17.949) 18.192 7.607 ( 6.025 -6.025 -13.503) 15.966 8.120 ( -10.754 10.754 -2.526) 15.416 8.637 ( 2.814 -2.814 -19.893) 20.287 9.178 ( -6.070 6.070 17.219) 19.240 9.455 ( 4.551 -4.551 20.112) 21.117 9.501 ( -0.834 0.834 6.592) 6.697 9.816 ( -8.987 8.987 1.264) 12.772 9.986 ( -6.745 6.745 -4.654) 10.614 10.133 ( -1.882 1.882 -3.529) 4.420 10.326 ( 3.656 -3.656 8.374) 9.841 10.724 ( 6.845 -6.845 -12.051) 15.457 10.835 ( 9.567 -9.567 -2.922) 13.842 11.953 ( -16.766 16.766 -14.565) 27.827 12.126 ( -3.863 3.863 21.543) 22.225 15.446 ( 1.091 -1.091 1.805) 2.375 15.780 ( -3.162 3.162 -2.577) 5.162 15.819 ( -3.025 3.025 -2.600) 5.006 16.020 ( -2.513 2.513 -0.878) 3.661 16.513 ( 2.824 -2.824 -5.212) 6.566 16.535 ( 15.977 -15.977 15.322) 27.300 16.669 ( 3.335 -3.335 -7.917) 9.215 17.488 ( -0.996 0.996 7.212) 7.348======================= Grid point 18 (10/74) =======================q-point: ( 0.15 -0.02 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.153 ( -0.503 15.296 21.291) 26.220 1.242 ( -4.347 21.646 17.677) 28.283 2.058 ( -0.738 -3.475 0.597) 3.603 2.279 ( 2.989 7.397 6.794) 10.479 2.390 ( 12.056 16.794 9.339) 22.685 2.538 ( -3.445 -1.189 -2.523) 4.433 2.694 ( 1.232 -2.852 0.921) 3.241 2.825 ( 3.088 5.835 -4.098) 7.770 3.206 ( -3.242 3.980 -1.589) 5.373 3.338 ( -3.458 -5.338 7.419) 9.772 3.361 ( 0.489 -1.070 4.774) 4.917 3.552 ( -0.990 -4.436 7.528) 8.794 4.001 ( 0.715 -4.337 2.935) 5.286 4.081 ( 10.532 6.228 0.825) 12.264 4.329 ( -6.939 -2.724 2.980) 8.028 4.615 ( 9.542 -3.485 -2.960) 10.581 5.122 ( -3.883 2.863 -1.338) 5.006 5.220 ( 2.131 -3.383 -4.375) 5.926 5.312 ( 5.530 -1.070 -0.291) 5.640 5.517 ( -0.034 10.973 -0.181) 10.974 5.962 ( -7.550 -0.918 -12.743) 14.841 6.672 ( -11.513 -8.043 10.552) 17.566 7.140 ( 8.512 -1.869 5.363) 10.233 7.186 ( 5.315 8.230 1.863) 9.972 7.657 ( -2.808 -25.801 1.539) 25.999 8.134 ( 0.828 11.130 9.004) 14.340 8.826 ( -4.605 -8.636 25.235) 27.066 9.564 ( -9.567 0.885 -5.983) 11.318 9.648 ( -8.823 -9.230 -0.774) 12.792 9.689 ( -5.566 -6.082 -0.104) 8.245 9.940 ( 1.514 2.246 2.599) 3.754 10.075 ( 10.112 -2.488 -9.781) 14.287 10.419 ( 11.017 2.972 9.129) 14.613 10.650 ( -1.322 -1.751 -2.570) 3.379 11.178 ( 0.627 17.496 -1.688) 17.588 11.358 ( 4.284 7.094 1.935) 8.510 12.546 ( -4.600 -12.252 -7.626) 15.147 15.517 ( -0.703 2.310 -0.414) 2.450 15.592 ( 0.582 -6.240 1.199) 6.381 15.750 ( -5.015 1.610 0.733) 5.318 16.000 ( -7.046 1.593 -0.155) 7.226 16.337 ( 6.229 -4.084 2.735) 7.934 16.551 ( -2.323 8.014 2.910) 8.837 17.485 ( -0.639 -5.073 -9.018) 10.367 18.016 ( 6.710 0.288 -19.565) 20.685======================= Grid point 19 (11/74) =======================q-point: ( 0.15 -0.02 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.321 ( -2.295 5.343 27.784) 28.386 1.620 ( -2.993 20.391 2.329) 20.741 1.899 ( -10.827 0.584 0.221) 10.845 2.152 ( -2.676 -0.947 14.316) 14.594 2.392 ( -5.010 -0.255 -2.222) 5.486 2.683 ( 4.315 -0.362 2.746) 5.127 2.933 ( 0.805 0.575 -8.869) 8.924 3.012 ( 4.319 -2.871 -0.026) 5.186 3.143 ( -3.087 -4.649 6.198) 8.340 3.213 ( -1.227 5.621 2.748) 6.376 3.464 ( 3.317 -2.069 2.696) 4.749 3.588 ( 3.365 6.459 9.557) 12.016 3.952 ( 8.446 -0.796 1.675) 8.647 4.140 ( -7.118 2.434 1.833) 7.743 4.595 ( 12.726 9.144 1.380) 15.731 4.707 ( 11.041 -7.981 -3.769) 14.135 4.971 ( -0.402 -11.516 -1.005) 11.566 5.233 ( -3.943 7.719 -2.800) 9.109 5.441 ( 7.140 -1.839 -3.589) 8.200 5.544 ( -12.865 -3.862 -7.987) 15.628 5.763 ( -6.780 8.179 1.666) 10.753 6.339 ( -6.663 -4.414 16.297) 18.151 7.210 ( 8.385 -12.174 5.614) 15.813 7.242 ( 6.585 -12.207 6.364) 15.260 7.468 ( 0.901 9.062 1.675) 9.259 8.309 ( -2.747 7.511 8.656) 11.785 8.694 ( -1.223 -1.093 12.571) 12.677 9.275 ( -3.652 -7.955 -2.339) 9.061 9.403 ( -2.439 -4.271 -5.114) 7.095 9.574 ( -8.624 6.778 0.446) 10.978 10.000 ( 3.160 -1.600 -0.582) 3.589 10.150 ( 8.718 -7.192 -5.011) 12.363 10.602 ( -1.526 0.217 -4.131) 4.409 10.676 ( 6.575 1.079 7.359) 9.927 11.446 ( -8.972 15.935 -0.581) 18.296 11.680 ( 11.801 7.766 -3.238) 14.494 12.145 ( -7.457 -14.004 -5.445) 16.774 15.500 ( 2.338 -4.636 0.336) 5.203 15.559 ( -2.645 3.970 0.816) 4.840 15.687 ( -4.777 2.796 0.133) 5.537 15.897 ( -5.396 1.892 -0.511) 5.741 16.377 ( 7.118 -5.840 3.332) 9.792 16.636 ( -4.795 7.102 2.996) 9.078 17.380 ( 1.106 -4.365 -7.001) 8.324 18.062 ( 5.088 -5.047 -10.453) 12.674======================= Grid point 21 (12/74) =======================q-point: (-0.35 -0.02 0.52)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.829 ( 12.202 -5.694 -3.157) 13.830 2.029 ( 3.282 -6.450 0.340) 7.245 2.145 ( -1.304 -1.978 5.376) 5.875 2.372 ( 4.157 1.027 -12.920) 13.611 2.422 ( -4.174 -6.170 4.527) 8.717 2.614 ( 0.373 5.734 3.405) 6.679 2.944 ( 5.948 -1.806 -2.676) 6.768 3.158 ( -0.108 -9.464 -0.534) 9.480 3.318 ( -2.996 8.826 -0.301) 9.326 3.503 ( 3.539 8.969 -22.884) 24.832 3.846 ( 3.707 3.604 -14.678) 15.562 3.981 ( -0.360 -0.469 -3.068) 3.124 4.108 ( -1.563 8.110 -1.118) 8.335 4.204 ( -7.700 -0.089 -19.921) 21.358 4.460 ( 0.259 7.513 -0.957) 7.578 4.584 ( -3.327 -6.095 -9.040) 11.399 4.755 ( -0.751 2.170 15.256) 15.428 4.912 ( -6.984 4.036 6.044) 10.079 5.077 ( 4.753 -4.689 11.780) 13.541 5.385 ( 9.614 -2.240 22.517) 24.586 5.540 ( -0.280 -7.197 4.547) 8.518 7.145 ( -16.668 4.271 -7.268) 18.678 7.310 ( 7.828 3.507 -0.666) 8.603 7.511 ( 2.329 -5.935 -18.358) 19.433 7.921 ( 2.758 11.453 -23.356) 26.159 8.816 ( 1.770 -1.221 -1.115) 2.422 8.983 ( -1.132 -4.768 2.071) 5.321 9.346 ( -9.550 6.311 4.086) 12.154 9.353 ( -8.225 1.101 1.130) 8.375 9.555 ( -10.333 -7.124 -4.134) 13.214 9.743 ( 8.344 -8.702 2.243) 12.263 10.159 ( 3.467 2.535 -0.978) 4.405 10.379 ( -1.122 -1.638 6.871) 7.152 10.985 ( 4.512 2.613 -15.002) 15.882 11.330 ( -0.355 4.371 0.390) 4.402 11.579 ( 13.087 -4.616 3.311) 14.266 11.821 ( -10.223 0.010 13.681) 17.079 15.502 ( -3.613 0.409 -0.914) 3.749 15.609 ( 3.993 -0.297 0.135) 4.007 15.806 ( 1.056 -6.093 -0.298) 6.191 16.010 ( 0.988 -7.328 0.714) 7.428 16.451 ( -5.103 7.174 -8.204) 12.034 16.891 ( 0.598 5.266 12.650) 13.715 16.924 ( 5.807 -0.973 -6.176) 8.533 17.414 ( -3.405 2.983 11.703) 12.548======================= Grid point 24 (13/74) =======================q-point: (-0.35 -0.02 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.869 ( 7.695 -7.695 7.587) 13.266 2.002 ( 4.413 -4.413 -1.251) 6.365 2.153 ( 2.283 -2.283 5.093) 6.030 2.316 ( 3.831 -3.831 0.191) 5.421 2.359 ( 0.807 -0.807 -11.533) 11.589 2.722 ( -9.045 9.045 4.296) 13.494 2.836 ( 8.450 -8.450 -3.007) 12.323 3.100 ( 1.773 -1.773 5.076) 5.661 3.456 ( -5.330 5.330 -8.697) 11.508 3.658 ( -3.000 3.000 -24.302) 24.669 3.850 ( 3.378 -3.378 -12.328) 13.221 4.097 ( -3.606 3.606 -15.259) 16.088 4.105 ( -1.758 1.758 -8.663) 9.013 4.248 ( -8.280 8.280 4.887) 12.689 4.358 ( -1.769 1.769 -3.575) 4.364 4.554 ( -5.395 5.395 -1.648) 7.805 4.815 ( -3.850 3.850 20.278) 20.996 4.913 ( 1.225 -1.225 -4.721) 5.029 5.060 ( 5.540 -5.540 13.895) 15.952 5.392 ( 4.307 -4.307 1.034) 6.178 5.466 ( 6.681 -6.681 25.298) 27.005 6.983 ( -14.425 14.425 -7.403) 21.702 7.373 ( 2.632 -2.632 -23.219) 23.515 7.576 ( 3.723 -3.723 -2.722) 5.927 8.110 ( -3.922 3.922 -24.510) 25.130 8.752 ( -1.386 1.386 13.280) 13.424 9.035 ( 4.869 -4.869 -18.429) 19.673 9.147 ( -1.231 1.231 -4.260) 4.602 9.316 ( -0.983 0.983 -3.541) 3.804 9.395 ( -11.987 11.987 10.488) 19.934 9.735 ( 10.438 -10.438 1.404) 14.828 10.249 ( 2.309 -2.309 -1.508) 3.597 10.318 ( 0.166 -0.166 8.473) 8.476 11.059 ( -0.581 0.581 -12.044) 12.072 11.417 ( -5.399 5.399 10.068) 12.636 11.588 ( 1.402 -1.402 6.015) 6.333 11.774 ( 6.775 -6.775 3.590) 10.231 15.457 ( -2.635 2.635 -1.330) 3.957 15.695 ( 4.741 -4.741 -0.411) 6.718 15.727 ( 3.666 -3.666 1.652) 5.442 15.920 ( 3.983 -3.983 1.002) 5.721 16.479 ( -7.357 7.357 -8.865) 13.669 16.931 ( -3.291 3.291 9.831) 10.878 16.979 ( 3.166 -3.166 -7.396) 8.645 17.417 ( -4.650 4.650 14.127) 15.582======================= Grid point 28 (14/74) =======================q-point: ( 0.29 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.478 ( 0.000 22.888 7.495) 24.084 1.703 ( -0.000 16.837 18.522) 25.030 2.134 ( -0.000 -4.064 0.990) 4.183 2.185 ( 0.000 23.667 16.999) 29.139 2.411 ( 0.000 -6.839 -8.573) 10.967 2.662 ( -0.000 -1.672 -1.152) 2.030 2.756 ( 0.000 3.536 -1.966) 4.045 2.864 ( -0.000 -4.257 28.043) 28.364 3.272 ( 0.000 5.094 1.270) 5.250 3.387 ( -0.000 -4.414 0.219) 4.419 3.491 ( -0.000 0.081 6.069) 6.069 3.841 ( 0.000 15.186 0.980) 15.218 3.921 ( -0.000 -11.446 21.538) 24.390 4.139 ( -0.000 -12.911 3.600) 13.403 4.388 ( 0.000 -0.703 -4.906) 4.956 4.539 ( -0.000 -2.207 6.712) 7.066 5.054 ( 0.000 -5.792 -8.860) 10.585 5.139 ( 0.000 9.026 -4.914) 10.277 5.177 ( -0.000 -6.109 -5.847) 8.456 5.447 ( 0.000 12.015 -7.696) 14.268 5.754 ( 0.000 6.883 -13.782) 15.406 7.035 ( 0.000 7.590 -1.549) 7.747 7.172 ( -0.000 2.036 11.882) 12.056 7.211 ( -0.000 -1.268 18.626) 18.669 7.727 ( -0.000 -27.802 3.662) 28.042 8.374 ( -0.000 10.496 16.215) 19.315 9.399 ( -0.000 -18.821 21.062) 28.246 9.532 ( 0.000 -6.690 -13.038) 14.654 9.621 ( 0.000 -7.546 -14.804) 16.616 9.713 ( 0.000 5.401 -3.646) 6.516 9.832 ( -0.000 -8.610 2.398) 8.938 10.007 ( -0.000 1.060 4.398) 4.524 10.510 ( -0.000 6.130 13.863) 15.157 10.564 ( 0.000 -0.068 -8.397) 8.397 11.130 ( 0.000 17.561 -1.443) 17.620 11.443 ( -0.000 -4.614 9.627) 10.676 12.370 ( 0.000 -11.232 -14.840) 18.611 15.506 ( 0.000 2.603 -1.202) 2.867 15.623 ( -0.000 -6.451 2.292) 6.846 15.834 ( -0.000 1.302 1.532) 2.011 16.092 ( 0.000 1.625 -0.399) 1.673 16.334 ( -0.000 -3.601 4.659) 5.889 16.655 ( 0.000 8.103 5.431) 9.755 17.108 ( 0.000 8.726 -24.480) 25.989 17.620 ( 0.000 0.735 -10.143) 10.169======================= Grid point 29 (15/74) =======================q-point: (-0.21 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.012 ( -0.000 -20.892 -14.060) 25.183 1.181 ( -0.000 -31.169 -11.910) 33.367 1.885 ( 0.000 -6.725 -35.199) 35.836 2.278 ( 0.000 7.126 -4.332) 8.339 2.574 ( 0.000 9.209 7.286) 11.743 2.717 ( -0.000 -0.919 1.114) 1.444 2.735 ( 0.000 7.088 -2.209) 7.424 2.935 ( 0.000 2.331 -25.862) 25.967 3.104 ( -0.000 -10.397 -0.347) 10.402 3.475 ( 0.000 3.354 -0.941) 3.483 3.481 ( -0.000 -13.311 -2.364) 13.519 3.508 ( -0.000 -4.268 -2.591) 4.993 4.147 ( 0.000 11.368 -18.347) 21.583 4.410 ( -0.000 1.061 6.520) 6.606 4.410 ( 0.000 11.491 -1.649) 11.609 4.575 ( 0.000 1.053 -5.421) 5.522 4.918 ( -0.000 -12.269 1.081) 12.316 5.112 ( -0.000 1.448 8.859) 8.977 5.224 ( -0.000 -8.800 7.717) 11.705 5.313 ( 0.000 5.466 3.849) 6.685 5.543 ( -0.000 -12.902 9.690) 16.136 6.847 ( -0.000 -7.484 6.611) 9.985 7.196 ( 0.000 1.568 -11.520) 11.626 7.217 ( 0.000 -0.300 -12.704) 12.708 8.192 ( 0.000 -6.856 -20.257) 21.386 8.236 ( 0.000 20.632 0.233) 20.634 9.591 ( -0.000 0.494 10.140) 10.152 9.600 ( -0.000 -3.230 6.671) 7.411 9.690 ( -0.000 -1.790 10.657) 10.806 9.817 ( 0.000 18.967 -11.484) 22.173 9.983 ( 0.000 4.972 -4.215) 6.518 10.096 ( 0.000 10.159 -2.243) 10.403 10.420 ( 0.000 -2.121 -8.337) 8.602 10.518 ( -0.000 -4.709 12.306) 13.176 10.737 ( -0.000 -18.918 1.819) 19.006 11.833 ( 0.000 32.756 -21.364) 39.107 12.544 ( -0.000 5.907 16.646) 17.663 15.470 ( -0.000 -1.003 1.479) 1.787 15.756 ( 0.000 5.735 -2.675) 6.328 15.814 ( 0.000 -0.704 -1.990) 2.111 16.066 ( -0.000 -0.870 -0.407) 0.960 16.376 ( 0.000 0.225 -3.588) 3.595 16.499 ( -0.000 -8.949 -2.955) 9.424 16.660 ( -0.000 -32.920 22.600) 39.931 17.614 ( -0.000 0.428 5.374) 5.391======================= Grid point 31 (16/74) =======================q-point: ( 0.29 -0.04 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( -6.876 18.323 5.276) 20.270 1.950 ( -0.695 5.197 17.898) 18.650 2.097 ( -9.033 9.194 4.938) 13.802 2.265 ( -2.770 -2.006 -5.904) 6.823 2.519 ( -6.826 -5.032 -3.913) 9.339 2.671 ( 5.779 3.951 -0.793) 7.046 2.864 ( 2.088 4.891 11.488) 12.659 2.971 ( 3.807 1.041 7.901) 8.832 3.247 ( -4.721 4.856 1.389) 6.914 3.339 ( 9.139 -2.914 0.416) 9.601 3.515 ( -1.010 -1.919 18.816) 18.941 3.738 ( 2.808 -0.048 14.656) 14.922 3.921 ( -1.313 -3.518 4.454) 5.825 4.237 ( 14.331 -0.209 -3.279) 14.703 4.393 ( -2.862 2.172 5.956) 6.956 4.499 ( 3.483 -2.563 -1.069) 4.454 4.901 ( 3.132 -10.026 -3.381) 11.035 5.145 ( 1.807 -0.171 -12.176) 12.311 5.258 ( -2.216 4.883 -6.691) 8.575 5.592 ( -5.551 2.041 -6.510) 8.796 5.790 ( -5.255 6.906 -13.152) 15.757 6.874 ( -6.144 -5.934 20.412) 22.128 7.167 ( 4.295 -21.616 8.092) 23.477 7.305 ( 6.887 0.258 11.329) 13.261 7.512 ( 5.506 9.745 11.904) 16.340 8.580 ( -0.985 9.849 14.140) 17.260 9.058 ( -3.475 -9.570 16.409) 19.311 9.220 ( -6.003 -8.800 -10.272) 14.799 9.480 ( -5.119 -11.577 2.948) 12.997 9.615 ( 11.303 -11.286 -12.138) 20.062 9.784 ( -9.683 8.276 -1.929) 12.883 10.125 ( 1.241 5.547 2.530) 6.222 10.524 ( -1.652 -0.962 -7.105) 7.358 10.708 ( 6.539 3.396 12.655) 14.644 11.365 ( 7.666 4.020 -3.045) 9.176 11.627 ( -5.754 18.931 -1.666) 19.856 12.077 ( -2.443 -14.374 -11.856) 18.792 15.481 ( 0.899 -5.195 1.127) 5.391 15.611 ( -1.273 5.906 -0.065) 6.042 15.798 ( -5.373 1.820 0.489) 5.694 16.028 ( -7.932 2.027 -1.062) 8.255 16.320 ( 6.635 -5.450 5.462) 10.176 16.793 ( -2.141 7.275 5.634) 9.447 17.158 ( 2.543 -4.604 -12.798) 13.836 17.668 ( 6.469 -3.817 -14.200) 16.064======================= Grid point 32 (17/74) =======================q-point: ( 0.29 -0.04 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 173Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.909 ( -8.833 8.833 13.137) 18.128 1.979 ( -8.034 8.034 1.237) 11.429 2.072 ( -9.708 9.708 7.635) 15.709 2.276 ( -0.395 0.395 -7.032) 7.054 2.324 ( -1.851 1.851 0.794) 2.736 2.788 ( 4.401 -4.401 -0.949) 6.296 2.844 ( -5.431 5.431 -3.197) 8.320 3.031 ( 3.995 -3.995 17.599) 18.484 3.255 ( 3.481 -3.481 16.496) 17.215 3.262 ( 2.364 -2.364 0.925) 3.469 3.584 ( -2.899 2.899 9.839) 10.659 3.876 ( -0.389 0.389 12.230) 12.242 3.973 ( 4.282 -4.282 2.907) 6.717 4.269 ( -5.838 5.838 3.634) 9.021 4.399 ( 11.128 -11.128 -7.617) 17.484 4.566 ( 12.546 -12.546 -1.126) 17.778 4.841 ( -1.026 1.026 2.638) 3.011 5.179 ( 2.217 -2.217 -15.625) 15.936 5.315 ( -5.322 5.322 -12.280) 14.403 5.410 ( -4.133 4.133 -0.817) 5.902 5.840 ( -7.371 7.371 -12.536) 16.305 6.735 ( 3.172 -3.172 21.803) 22.259 6.975 ( 11.235 -11.235 11.888) 19.844 7.383 ( 6.746 -6.746 19.354) 21.578 7.725 ( -5.459 5.459 9.517) 12.255 8.690 ( -5.742 5.742 15.889) 17.844 8.910 ( 2.051 -2.051 8.195) 8.693 9.049 ( 2.006 -2.006 -5.733) 6.397 9.274 ( 2.418 -2.418 0.623) 3.476 9.619 ( 14.336 -14.336 -11.087) 23.107 9.764 ( -11.704 11.704 -1.517) 16.621 10.199 ( -2.746 2.746 3.796) 5.430 10.492 ( -0.991 0.991 -8.581) 8.695 10.820 ( 2.786 -2.786 11.013) 11.696 11.613 ( 4.738 -4.738 -9.576) 11.687 11.715 ( -6.852 6.852 -5.413) 11.099 11.834 ( -2.741 2.741 -3.077) 4.949 15.433 ( 3.119 -3.119 1.090) 4.544 15.684 ( -5.892 5.892 0.586) 8.353 15.749 ( -3.821 3.821 -0.644) 5.442 15.944 ( -4.666 4.666 -1.383) 6.742 16.338 ( 6.949 -6.949 5.854) 11.438 16.847 ( -4.903 4.903 5.794) 9.036 17.124 ( 4.057 -4.057 -9.765) 11.326 17.695 ( 7.420 -7.420 -13.688) 17.247======================= Grid point 34 (18/74) =======================q-point: (-0.21 -0.04 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.326 ( 22.240 -5.658 -8.543) 24.487 1.823 ( 7.719 4.324 -26.597) 28.030 2.080 ( -5.755 -2.036 -2.074) 6.448 2.315 ( 0.951 -4.538 3.031) 5.540 2.419 ( 17.205 13.542 -0.967) 21.917 2.625 ( -4.996 -3.415 1.021) 6.137 2.747 ( 3.867 -1.420 1.816) 4.502 2.921 ( 0.623 5.630 -26.003) 26.613 3.184 ( 2.721 -5.159 0.903) 5.902 3.411 ( -3.791 3.652 -1.785) 5.558 3.514 ( 3.122 1.391 -9.084) 9.706 3.800 ( -3.371 -3.398 -17.247) 17.898 4.059 ( -9.461 -5.659 -1.979) 11.201 4.121 ( 7.714 13.960 -5.073) 16.737 4.403 ( -2.642 -1.857 -2.997) 4.406 4.552 ( -2.270 4.017 1.630) 4.894 5.080 ( -1.222 -0.972 4.645) 4.901 5.090 ( 1.848 -0.273 8.857) 9.052 5.244 ( -4.339 4.309 6.637) 9.025 5.450 ( 9.767 0.457 7.229) 12.160 5.698 ( 4.355 -5.188 13.752) 15.330 6.958 ( -3.670 -7.700 -17.202) 19.201 7.130 ( 11.343 4.675 1.283) 12.336 7.401 ( 0.028 9.528 -15.441) 18.144 7.706 ( -22.543 -2.527 -4.282) 23.085 8.386 ( 8.923 1.326 -16.532) 18.833 9.314 ( -15.687 -7.648 -21.035) 27.332 9.371 ( -5.270 -8.762 13.155) 16.661 9.607 ( 1.499 -7.932 2.976) 8.604 9.723 ( -9.627 -4.250 -1.751) 10.668 9.829 ( -4.494 7.386 12.803) 15.449 10.032 ( 2.883 1.391 -4.334) 5.387 10.548 ( -0.603 -0.166 6.872) 6.900 10.622 ( 4.521 8.170 -10.819) 14.292 11.139 ( 17.473 0.638 2.160) 17.618 11.443 ( -1.948 0.922 -7.320) 7.631 12.333 ( -10.638 -3.873 14.315) 18.251 15.505 ( 2.304 -0.020 0.856) 2.458 15.624 ( -6.155 0.021 -2.025) 6.480 15.769 ( 0.989 -5.329 -1.210) 5.553 15.997 ( 0.875 -6.681 0.063) 6.739 16.411 ( -3.376 6.552 -4.854) 8.825 16.637 ( 7.807 -1.768 -6.063) 10.042 17.192 ( 2.984 5.064 20.214) 21.051 17.677 ( 2.465 5.274 13.626) 14.818======================= Grid point 35 (19/74) =======================q-point: (-0.21 -0.04 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( 15.795 -2.908 -3.128) 16.363 1.897 ( -0.260 -5.382 -10.181) 11.519 1.936 ( 3.685 -5.922 -18.645) 19.907 2.240 ( 1.379 1.013 3.751) 4.122 2.384 ( -4.711 -5.672 1.072) 7.451 2.743 ( 2.405 -0.341 6.809) 7.229 2.853 ( 1.235 0.843 -6.511) 6.681 3.059 ( -1.788 2.796 -4.504) 5.595 3.222 ( 4.852 2.574 -8.915) 10.471 3.447 ( -10.188 -3.959 -19.222) 22.113 3.526 ( 1.759 4.601 -4.242) 6.501 3.796 ( 7.384 3.564 -11.741) 14.320 3.984 ( 1.905 7.205 -1.746) 7.655 4.221 ( -1.824 -7.920 -6.876) 10.645 4.595 ( -5.928 12.286 6.916) 15.294 4.637 ( 5.806 11.219 -2.010) 12.791 4.942 ( -10.405 0.655 2.376) 10.693 5.126 ( 6.796 -3.060 9.358) 11.963 5.267 ( -2.838 2.142 13.343) 13.808 5.404 ( -1.715 -12.156 5.470) 13.440 5.685 ( 7.303 -4.362 11.338) 14.174 6.761 ( -1.585 -4.307 -25.813) 26.217 7.284 ( -15.972 5.793 -3.752) 17.400 7.431 ( 4.145 5.107 -3.465) 7.434 7.627 ( 2.081 4.763 -21.846) 22.455 8.555 ( 6.896 -1.341 -16.236) 17.690 8.988 ( -5.599 -2.882 -15.267) 16.514 9.125 ( -4.824 -3.371 12.056) 13.416 9.359 ( -5.402 -5.768 -0.350) 7.911 9.575 ( 5.427 -7.352 0.241) 9.141 9.878 ( -10.108 11.399 11.784) 19.261 10.129 ( 4.227 -0.979 -2.262) 4.893 10.488 ( -0.805 -1.724 7.466) 7.705 10.849 ( 0.025 6.696 -10.205) 12.206 11.423 ( 15.098 -6.529 1.948) 16.564 11.601 ( 4.658 7.723 4.556) 10.104 11.999 ( -11.545 -5.138 9.327) 15.706 15.508 ( -3.807 1.719 -0.472) 4.204 15.580 ( 3.395 -1.660 -1.252) 3.981 15.689 ( 2.163 -4.802 0.015) 5.267 15.885 ( 1.278 -5.260 0.625) 5.449 16.468 ( -5.708 7.453 -5.885) 11.080 16.727 ( 6.815 -4.357 -6.617) 10.450 17.200 ( -3.195 1.427 11.107) 11.645 17.799 ( -2.426 5.344 15.875) 16.925======================= Grid point 40 (20/74) =======================q-point: ( 0.29 -0.04 -0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.975 ( -8.949 8.949 14.145) 18.980 1.566 ( -20.843 20.843 13.965) 32.617 1.973 ( -11.230 11.230 27.349) 31.626 2.233 ( 5.037 -5.037 3.561) 7.964 2.450 ( 7.264 -7.264 -6.526) 12.171 2.696 ( -0.524 0.524 -1.897) 2.036 2.758 ( 5.519 -5.519 -1.307) 7.914 2.924 ( 0.418 -0.418 27.266) 27.273 3.090 ( -4.853 4.853 1.305) 6.986 3.462 ( 0.977 -0.977 3.027) 3.328 3.487 ( 1.141 -1.141 2.424) 2.912 3.686 ( -12.740 12.740 4.337) 18.532 4.085 ( 3.816 -3.816 17.734) 18.538 4.290 ( 10.576 -10.576 1.086) 14.996 4.443 ( 0.210 -0.210 -1.237) 1.273 4.568 ( -0.346 0.346 0.860) 0.990 4.964 ( -4.746 4.746 -2.340) 7.107 5.129 ( -0.083 0.083 -9.759) 9.760 5.276 ( -6.117 6.117 -7.271) 11.301 5.330 ( 1.545 -1.545 -4.014) 4.571 5.587 ( -5.195 5.195 -12.571) 14.560 6.918 ( -6.626 6.626 -5.637) 10.935 7.072 ( 5.440 -5.440 15.210) 17.045 7.342 ( -5.377 5.377 12.117) 14.306 8.093 ( 14.006 -14.006 0.719) 19.820 8.242 ( -4.937 4.937 19.214) 20.443 9.448 ( 4.668 -4.668 -9.268) 11.378 9.639 ( 2.871 -2.871 -8.101) 9.062 9.639 ( 13.583 -13.583 15.190) 24.489 9.802 ( -4.712 4.712 -11.306) 13.124 9.901 ( 6.292 -6.292 3.886) 9.710 10.040 ( 3.588 -3.588 5.342) 7.367 10.488 ( -5.763 5.763 2.321) 8.474 10.566 ( -2.078 2.078 -4.322) 5.226 10.836 ( -10.568 10.568 -1.956) 15.073 11.620 ( 14.320 -14.320 18.981) 27.756 12.494 ( 5.226 -5.226 -16.121) 17.734 15.475 ( -0.709 0.709 -1.203) 1.567 15.735 ( 3.036 -3.036 2.003) 4.738 15.772 ( 2.308 -2.308 2.244) 3.961 16.007 ( 2.307 -2.307 0.515) 3.304 16.431 ( -2.748 2.748 3.342) 5.125 16.517 ( -2.335 2.335 6.441) 7.238 16.961 ( -19.656 19.656 -28.522) 39.827 17.625 ( -1.482 1.482 -7.228) 7.526======================= Grid point 41 (21/74) =======================q-point: ( 0.44 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.871 ( 0.000 6.523 1.500) 6.694 2.162 ( 0.000 -0.741 -4.310) 4.373 2.221 ( 0.000 9.608 -0.341) 9.615 2.264 ( 0.000 8.657 7.468) 11.433 2.521 ( -0.000 -3.913 -3.738) 5.411 2.536 ( -0.000 -3.443 -1.084) 3.610 2.949 ( 0.000 11.398 2.452) 11.659 3.191 ( -0.000 -5.193 -1.296) 5.352 3.325 ( -0.000 -2.058 22.933) 23.025 3.420 ( 0.000 1.605 0.521) 1.687 3.740 ( -0.000 4.338 13.272) 13.963 3.993 ( 0.000 1.654 -1.447) 2.198 4.001 ( -0.000 -5.441 5.278) 7.580 4.246 ( -0.000 -7.454 28.672) 29.626 4.376 ( 0.000 1.258 -0.746) 1.463 4.666 ( -0.000 -2.311 10.533) 10.784 4.717 ( 0.000 -1.960 -15.225) 15.351 4.860 ( 0.000 -7.124 -8.557) 11.134 5.127 ( 0.000 5.159 -11.056) 12.201 5.410 ( 0.000 10.707 -22.020) 24.485 5.614 ( 0.000 -0.297 -5.394) 5.402 7.096 ( -0.000 -20.802 5.749) 21.582 7.270 ( 0.000 11.459 -0.887) 11.494 7.634 ( -0.000 0.598 22.231) 22.239 7.742 ( -0.000 4.488 21.112) 21.584 8.830 ( -0.000 4.640 7.650) 8.947 9.104 ( 0.000 -9.563 -16.505) 19.076 9.146 ( 0.000 -4.546 -5.353) 7.023 9.403 ( -0.000 -9.895 8.664) 13.152 9.635 ( -0.000 -11.937 4.521) 12.764 9.856 ( 0.000 10.374 -3.814) 11.053 10.113 ( 0.000 2.762 0.872) 2.896 10.396 ( 0.000 -0.550 -7.364) 7.385 10.957 ( -0.000 6.272 17.716) 18.794 11.277 ( -0.000 -4.752 1.812) 5.086 11.632 ( 0.000 17.673 -3.644) 18.045 11.819 ( 0.000 -12.263 -15.831) 20.025 15.498 ( -0.000 -4.121 1.171) 4.284 15.613 ( 0.000 4.644 -0.588) 4.681 15.882 ( 0.000 0.924 0.747) 1.188 16.105 ( 0.000 1.043 -1.060) 1.487 16.363 ( -0.000 -5.583 7.918) 9.688 16.819 ( 0.000 1.971 -14.696) 14.828 16.934 ( 0.000 6.004 5.759) 8.319 17.382 ( 0.000 -4.230 -9.324) 10.239======================= Grid point 42 (22/74) =======================q-point: (-0.06 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.385 ( 0.000 0.000 -19.949) 19.949 0.385 ( 0.000 0.000 -19.949) 19.949 0.981 ( 0.000 0.000 -48.716) 48.716 2.251 ( 0.000 0.000 -3.500) 3.500 2.503 ( 0.000 0.000 -17.130) 17.130 2.692 ( 0.000 0.000 -0.506) 0.506 2.907 ( -0.000 -0.000 7.537) 7.537 2.908 ( 0.000 0.000 -0.741) 0.741 2.908 ( 0.000 0.000 -0.741) 0.741 3.170 ( 0.000 0.000 -1.162) 1.162 3.489 ( 0.000 0.000 -0.888) 0.888 3.489 ( 0.000 0.000 -0.888) 0.888 4.166 ( 0.000 0.000 -6.858) 6.858 4.500 ( 0.000 0.000 -2.523) 2.523 4.527 ( -0.000 -0.000 3.868) 3.868 4.527 ( -0.000 -0.000 3.868) 3.868 4.634 ( 0.000 0.000 -6.745) 6.745 5.207 ( -0.000 -0.000 0.873) 0.873 5.207 ( -0.000 -0.000 0.873) 0.873 5.419 ( -0.000 -0.000 1.800) 1.800 5.419 ( -0.000 -0.000 1.800) 1.800 6.879 ( -0.000 -0.000 3.885) 3.885 7.087 ( 0.000 0.000 -3.410) 3.410 7.087 ( 0.000 0.000 -3.410) 3.410 7.760 ( 0.000 0.000 -13.732) 13.732 8.496 ( -0.000 -0.000 1.126) 1.126 9.651 ( -0.000 -0.000 0.002) 0.002 9.651 ( -0.000 -0.000 0.002) 0.002 9.704 ( -0.000 -0.000 2.802) 2.802 9.977 ( 0.000 0.000 -1.757) 1.757 9.977 ( 0.000 0.000 -1.757) 1.757 10.383 ( -0.000 -0.000 0.735) 0.735 10.383 ( -0.000 -0.000 0.735) 0.735 10.445 ( -0.000 -0.000 3.205) 3.205 10.664 ( -0.000 -0.000 8.132) 8.132 12.267 ( 0.000 0.000 -4.265) 4.265 12.859 ( -0.000 -0.000 9.040) 9.040 15.485 ( -0.000 -0.000 0.884) 0.884 15.773 ( 0.000 0.000 -1.262) 1.262 15.773 ( 0.000 0.000 -1.262) 1.262 16.047 ( 0.000 0.000 -0.356) 0.356 16.047 ( 0.000 0.000 -0.356) 0.356 16.317 ( 0.000 0.000 -1.618) 1.618 16.409 ( 0.000 0.000 -2.594) 2.594 17.692 ( -0.000 -0.000 2.526) 2.526======================= Grid point 43 (23/74) =======================q-point: (-0.06 -0.06 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.742 ( 13.150 13.150 -9.348) 20.814 1.039 ( 5.839 5.839 -38.396) 39.274 1.641 ( 33.755 33.755 -6.965) 48.242 2.180 ( -3.676 -3.676 -1.846) 5.516 2.428 ( -4.037 -4.037 -15.514) 16.531 2.605 ( -5.246 -5.246 3.379) 8.152 2.731 ( 3.089 3.089 1.571) 4.643 2.798 ( -5.494 -5.494 0.754) 7.806 3.067 ( 5.864 5.864 -0.963) 8.348 3.414 ( -3.237 -3.237 -1.893) 4.954 3.427 ( -3.233 -3.233 -4.188) 6.200 3.594 ( 3.219 3.219 -5.202) 6.913 3.813 ( 6.952 6.952 -9.107) 13.401 4.273 ( -10.592 -10.592 -1.201) 15.027 4.393 ( -3.832 -3.832 -2.903) 6.148 4.629 ( 3.387 3.387 3.535) 5.953 5.005 ( 4.519 4.519 2.014) 6.700 5.247 ( 1.829 1.829 2.852) 3.850 5.335 ( 5.426 5.426 -0.273) 7.679 5.373 ( -1.801 -1.801 0.936) 2.714 5.916 ( 5.328 5.328 21.977) 23.232 6.846 ( -9.300 -9.300 -7.519) 15.150 7.004 ( 5.860 5.860 2.776) 8.740 7.172 ( 2.968 2.968 -5.800) 7.159 7.947 ( 6.698 6.698 -10.696) 14.288 8.083 ( -15.220 -15.220 -0.334) 21.527 9.099 ( -18.014 -18.014 -39.364) 46.889 9.544 ( -2.869 -2.869 1.997) 4.522 9.784 ( -1.332 -1.332 5.611) 5.918 9.844 ( -6.177 -6.177 -1.976) 8.956 9.958 ( -6.966 -6.966 -2.681) 10.209 9.972 ( 10.256 10.256 5.196) 15.407 10.392 ( 2.714 2.714 -3.196) 4.994 10.688 ( -1.199 -1.199 3.343) 3.748 10.877 ( 10.210 10.210 1.808) 14.552 11.298 ( -1.560 -1.560 -11.936) 12.138 12.734 ( -6.052 -6.052 8.527) 12.082 15.492 ( 0.341 0.341 0.562) 0.741 15.705 ( -2.824 -2.824 -1.077) 4.136 15.737 ( -1.813 -1.813 -1.344) 2.895 16.000 ( -2.164 -2.164 -0.227) 3.069 16.383 ( 2.722 2.722 -1.633) 4.181 16.420 ( 1.410 1.410 -3.525) 4.050 17.534 ( 1.935 1.935 18.661) 18.861 17.877 ( 13.014 13.014 28.254) 33.719======================= Grid point 44 (24/74) =======================q-point: ( 0.44 -0.06 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.960 ( -1.990 -0.233 -9.855) 10.057 2.104 ( -5.565 2.607 -3.773) 7.211 2.223 ( -2.533 10.399 -2.928) 11.096 2.384 ( -4.781 4.126 8.345) 10.465 2.487 ( -2.241 -1.834 -0.928) 3.041 2.518 ( 2.758 -3.806 -4.531) 6.529 2.985 ( -2.984 2.800 0.046) 4.093 3.161 ( -6.122 -1.082 -1.412) 6.375 3.330 ( 5.059 1.641 10.167) 11.474 3.567 ( 8.027 1.726 19.034) 20.730 3.860 ( 3.964 -3.373 8.047) 9.583 3.962 ( 4.759 -1.954 14.600) 15.480 4.024 ( 6.697 -5.267 -2.627) 8.915 4.159 ( -1.432 1.597 16.846) 16.982 4.283 ( 4.457 -12.306 -1.496) 13.173 4.579 ( -5.368 2.446 8.449) 10.304 4.754 ( 2.039 -1.650 -21.968) 22.124 4.890 ( 3.422 4.485 3.818) 6.812 5.158 ( -3.813 3.227 -12.865) 13.801 5.487 ( -4.140 -2.850 -2.251) 5.507 5.585 ( -4.685 8.197 -24.805) 26.541 6.731 ( 9.523 -20.022 8.232) 23.650 7.435 ( -2.853 3.497 20.283) 20.779 7.608 ( -0.362 3.418 12.521) 12.984 8.007 ( 5.470 6.501 17.036) 19.037 8.763 ( -2.749 -4.089 -9.345) 10.565 9.031 ( 4.511 1.262 3.684) 5.959 9.171 ( 6.590 -8.099 -3.189) 10.918 9.212 ( -3.255 -3.021 13.288) 14.011 9.349 ( -3.253 -8.448 5.221) 10.450 9.948 ( -9.811 10.509 -2.756) 14.638 10.240 ( 2.589 4.248 -2.103) 5.401 10.352 ( -2.098 -1.372 -6.894) 7.335 11.043 ( 0.426 1.469 14.508) 14.588 11.271 ( 7.672 -3.234 -7.030) 10.897 11.564 ( 1.384 -11.872 -8.611) 14.732 11.967 ( -8.477 18.791 -4.966) 21.204 15.419 ( 1.182 -3.584 1.792) 4.178 15.750 ( -1.654 8.459 -1.636) 8.773 15.835 ( -5.334 1.884 -0.558) 5.684 16.036 ( -6.811 1.523 -1.718) 7.188 16.322 ( 7.559 -7.469 7.884) 13.232 16.854 ( 4.110 -3.257 -10.095) 11.376 17.012 ( -0.270 2.079 3.388) 3.984 17.327 ( 3.469 -4.585 -8.532) 10.289======================= Grid point 46 (25/74) =======================q-point: (-0.06 -0.06 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.235 ( 3.459 3.459 -32.462) 32.829 1.266 ( 11.980 11.980 -3.630) 17.327 1.976 ( -6.176 -6.176 -0.738) 8.765 2.208 ( -4.138 -4.138 -11.794) 13.166 2.414 ( -2.874 -2.874 -0.503) 4.095 2.669 ( 2.544 2.544 0.409) 3.621 2.873 ( 16.280 16.280 -3.162) 23.239 2.894 ( 3.425 3.425 8.255) 9.571 3.147 ( -2.503 -2.503 1.760) 3.953 3.259 ( -4.223 -4.223 -10.059) 11.698 3.441 ( 6.114 6.114 -8.658) 12.236 3.521 ( -2.040 -2.040 -3.239) 4.338 3.953 ( -1.054 -1.054 -0.495) 1.571 4.189 ( -6.132 -6.132 -4.300) 9.679 4.358 ( 13.485 13.485 -1.726) 19.149 4.774 ( 3.413 3.413 4.325) 6.480 5.055 ( -1.279 -1.279 0.449) 1.864 5.219 ( -2.844 -2.844 3.642) 5.425 5.432 ( 4.332 4.332 3.480) 7.046 5.534 ( 2.905 2.905 -0.150) 4.111 5.777 ( -8.961 -8.961 7.013) 14.483 6.470 ( -8.399 -8.399 -12.869) 17.513 7.275 ( 2.002 2.002 -9.151) 9.579 7.294 ( 7.393 7.393 0.395) 10.462 7.529 ( -10.688 -10.688 -1.833) 15.225 8.183 ( 4.442 4.442 -9.181) 11.124 8.739 ( -3.475 -3.475 -17.938) 18.599 9.426 ( -4.644 -4.644 6.276) 9.084 9.470 ( -7.109 -7.109 0.039) 10.054 9.578 ( -4.939 -4.939 0.446) 7.000 9.977 ( 2.033 2.033 -2.816) 4.025 10.220 ( 2.535 2.535 10.936) 11.509 10.607 ( 4.160 4.160 -5.491) 8.048 10.624 ( 0.600 0.600 -0.400) 0.938 11.207 ( 5.820 5.820 0.790) 8.269 11.507 ( 8.893 8.893 0.964) 12.614 12.396 ( -10.268 -10.268 6.814) 16.041 15.511 ( 0.551 0.551 -0.266) 0.824 15.591 ( -2.369 -2.369 -0.554) 3.396 15.660 ( -1.639 -1.639 -0.632) 2.402 15.899 ( -2.409 -2.409 0.125) 3.410 16.476 ( 1.158 1.158 -4.499) 4.788 16.490 ( 2.179 2.179 -1.681) 3.510 17.452 ( -2.630 -2.630 7.654) 8.509 18.104 ( 1.165 1.165 14.472) 14.566======================= Grid point 47 (26/74) =======================q-point: (-0.06 -0.06 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.300 ( 0.000 0.000 -28.681) 28.681 1.651 ( 0.000 0.000 0.712) 0.712 1.711 ( -0.000 -0.000 -2.957) 2.957 2.121 ( 0.000 0.000 -15.688) 15.688 2.350 ( 0.000 0.000 2.499) 2.499 2.729 ( 0.000 0.000 -2.758) 2.758 2.932 ( 0.000 0.000 10.666) 10.666 3.102 ( 0.000 0.000 -8.689) 8.689 3.114 ( 0.000 0.000 1.201) 1.201 3.151 ( 0.000 0.000 -1.927) 1.927 3.492 ( 0.000 0.000 -3.283) 3.283 3.641 ( -0.000 -0.000 -10.348) 10.348 3.998 ( 0.000 0.000 -3.618) 3.618 4.115 ( 0.000 0.000 1.605) 1.605 4.733 ( 0.000 0.000 -1.866) 1.866 4.857 ( 0.000 0.000 4.933) 4.933 5.012 ( 0.000 0.000 -1.497) 1.497 5.143 ( 0.000 0.000 2.690) 2.690 5.355 ( 0.000 0.000 8.439) 8.439 5.555 ( -0.000 -0.000 8.266) 8.266 5.664 ( 0.000 0.000 -4.825) 4.825 6.269 ( 0.000 0.000 -17.645) 17.645 7.300 ( 0.000 0.000 -2.251) 2.251 7.322 ( 0.000 0.000 -10.021) 10.021 7.473 ( 0.000 0.000 -1.033) 1.033 8.277 ( 0.000 0.000 -9.297) 9.297 8.681 ( 0.000 0.000 -11.578) 11.578 9.237 ( 0.000 0.000 2.075) 2.075 9.367 ( 0.000 0.000 6.320) 6.320 9.491 ( 0.000 0.000 -0.748) 0.748 10.022 ( 0.000 0.000 -2.601) 2.601 10.265 ( 0.000 0.000 9.753) 9.753 10.584 ( 0.000 0.000 4.218) 4.218 10.754 ( 0.000 0.000 -8.702) 8.702 11.327 ( 0.000 0.000 0.250) 0.250 11.872 ( 0.000 0.000 5.505) 5.505 12.003 ( -0.000 -0.000 3.375) 3.375 15.528 ( -0.000 -0.000 -1.151) 1.151 15.538 ( 0.000 0.000 0.055) 0.055 15.625 ( 0.000 0.000 -0.356) 0.356 15.843 ( 0.000 0.000 0.468) 0.468 16.501 ( 0.000 0.000 -4.880) 4.880 16.537 ( 0.000 0.000 -1.721) 1.721 17.393 ( 0.000 0.000 7.070) 7.070 18.114 ( 0.000 0.000 9.911) 9.911======================= Grid point 50 (27/74) =======================q-point: ( 0.44 -0.06 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( -16.428 -5.421 10.895) 20.444 2.073 ( 3.189 3.689 2.381) 5.426 2.190 ( -0.283 -0.575 1.196) 1.357 2.239 ( -3.752 3.339 3.754) 6.271 2.488 ( -4.208 -4.019 1.904) 6.122 2.589 ( 3.690 0.900 -1.404) 4.050 2.780 ( -5.197 0.192 6.360) 8.215 3.157 ( -1.144 -8.262 -1.468) 8.469 3.431 ( 5.823 5.494 1.281) 8.108 3.465 ( -0.119 6.352 25.383) 26.166 3.703 ( -9.268 2.103 11.834) 15.178 4.009 ( -4.458 7.201 0.485) 8.483 4.105 ( 2.818 0.174 3.522) 4.514 4.332 ( 0.491 2.911 -2.835) 4.093 4.425 ( 4.978 -0.018 22.666) 23.207 4.657 ( 2.910 -4.496 10.320) 11.627 4.811 ( 3.529 1.348 -18.031) 18.422 4.963 ( -4.934 -3.473 -9.578) 11.320 5.097 ( 8.122 3.836 -8.005) 12.032 5.196 ( -8.446 0.689 -19.150) 20.941 5.506 ( -3.567 -5.278 -4.762) 7.954 7.010 ( -13.411 6.469 -5.445) 15.854 7.382 ( 1.310 -3.692 18.763) 19.167 7.634 ( 8.071 1.154 6.935) 10.703 7.903 ( 4.543 5.678 16.624) 18.145 8.721 ( -5.318 1.234 15.580) 16.509 9.069 ( 5.254 -8.288 -15.447) 18.301 9.461 ( 2.715 7.190 -15.915) 17.674 9.546 ( -1.432 -3.411 -6.052) 7.093 9.593 ( 9.027 -5.764 3.575) 11.291 9.813 ( 10.002 -7.792 4.089) 13.321 10.114 ( -0.637 1.516 3.681) 4.031 10.382 ( -1.221 0.052 -8.154) 8.245 10.866 ( -6.913 5.688 13.693) 16.359 11.107 ( -16.033 1.687 -0.678) 16.136 11.628 ( 12.947 -4.118 10.937) 17.442 12.009 ( 7.742 -2.278 -18.844) 20.499 15.484 ( -2.669 0.497 -1.373) 3.042 15.667 ( 6.529 -0.424 2.398) 6.969 15.794 ( -0.039 -5.728 1.343) 5.884 15.999 ( -0.023 -6.296 0.299) 6.303 16.522 ( 1.789 6.253 6.610) 9.274 16.780 ( -7.405 1.384 6.634) 10.038 16.809 ( -8.832 7.604 -15.851) 19.674 17.462 ( 1.639 0.950 -9.622) 9.806======================= Grid point 54 (28/74) =======================q-point: (-0.42 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.826 ( 0.000 -8.820 -9.315) 12.828 2.091 ( -0.000 -14.979 -7.605) 16.799 2.175 ( 0.000 0.695 0.447) 0.826 2.216 ( 0.000 7.241 -3.697) 8.130 2.579 ( 0.000 3.131 2.893) 4.263 2.634 ( 0.000 10.063 0.042) 10.063 2.874 ( 0.000 -4.403 -7.726) 8.892 3.333 ( 0.000 7.915 0.921) 7.968 3.357 ( -0.000 -5.310 -1.046) 5.412 3.528 ( -0.000 -3.144 2.683) 4.133 3.877 ( -0.000 -1.654 -1.326) 2.120 3.991 ( -0.000 -8.552 -8.259) 11.888 4.091 ( -0.000 2.696 6.012) 6.589 4.300 ( 0.000 -5.026 -8.095) 9.529 4.424 ( -0.000 3.001 13.497) 13.826 4.668 ( -0.000 -5.961 25.715) 26.397 4.800 ( -0.000 -1.039 3.893) 4.029 4.923 ( 0.000 8.572 5.868) 10.388 4.964 ( 0.000 0.630 -9.803) 9.823 5.090 ( 0.000 9.215 -27.450) 28.955 5.519 ( -0.000 -5.527 0.130) 5.529 6.797 ( -0.000 -18.372 8.267) 20.146 7.566 ( 0.000 12.586 -0.998) 12.625 7.835 ( -0.000 -4.641 -3.058) 5.558 8.050 ( 0.000 5.625 -5.678) 7.992 8.832 ( -0.000 0.537 4.416) 4.449 8.916 ( -0.000 1.779 12.843) 12.966 9.118 ( 0.000 -3.749 -4.024) 5.499 9.511 ( -0.000 -9.538 6.182) 11.366 9.543 ( -0.000 5.997 12.652) 14.001 9.998 ( 0.000 10.755 -4.735) 11.751 10.133 ( 0.000 0.950 -2.033) 2.244 10.298 ( -0.000 -1.597 -0.474) 1.666 11.088 ( -0.000 -12.535 -2.022) 12.697 11.096 ( 0.000 -8.752 -12.669) 15.398 11.635 ( -0.000 2.849 18.983) 19.196 11.910 ( 0.000 22.328 -10.145) 24.524 15.445 ( -0.000 -3.511 1.925) 4.004 15.721 ( 0.000 8.117 -2.528) 8.501 15.891 ( 0.000 0.141 -0.970) 0.981 16.097 ( 0.000 0.283 -1.033) 1.071 16.396 ( -0.000 -10.360 11.256) 15.298 16.603 ( 0.000 0.086 -9.189) 9.190 16.936 ( 0.000 -6.703 -7.365) 9.959 17.314 ( -0.000 3.224 5.703) 6.551======================= Grid point 55 (29/74) =======================q-point: ( 0.08 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.359 ( 0.000 18.235 0.000) 18.235 0.686 ( 0.000 33.368 0.000) 33.368 1.015 ( 0.000 49.004 0.000) 49.004 2.191 ( -0.000 -3.098 -0.000) 3.098 2.293 ( -0.000 -3.437 -0.000) 3.437 2.711 ( 0.000 2.562 0.000) 2.562 2.726 ( -0.000 -7.155 -0.000) 7.155 2.794 ( -0.000 -5.709 -0.000) 5.709 3.202 ( 0.000 5.159 0.000) 5.159 3.405 ( -0.000 -5.360 -0.000) 5.360 3.449 ( -0.000 -3.058 -0.000) 3.058 3.449 ( 0.000 19.141 0.000) 19.141 3.526 ( -0.000 -1.147 -0.000) 1.147 4.347 ( -0.000 -14.098 -0.000) 14.098 4.472 ( -0.000 -2.852 -0.000) 2.852 4.545 ( -0.000 -1.903 -0.000) 1.903 5.033 ( 0.000 10.448 0.000) 10.448 5.208 ( 0.000 0.300 0.000) 0.300 5.294 ( 0.000 8.271 0.000) 8.271 5.378 ( -0.000 -5.913 -0.000) 5.913 6.348 ( -0.000 -3.789 -0.000) 3.789 6.953 ( -0.000 -8.353 -0.000) 8.353 6.976 ( 0.000 5.883 0.000) 5.883 7.010 ( -0.000 -4.730 -0.000) 4.730 7.768 ( 0.000 12.085 0.000) 12.085 8.239 ( -0.000 -23.520 -0.000) 23.520 8.518 ( 0.000 0.706 0.000) 0.706 9.704 ( 0.000 5.757 0.000) 5.757 9.706 ( 0.000 3.892 0.000) 3.892 9.857 ( 0.000 11.712 0.000) 11.712 9.898 ( -0.000 -6.112 -0.000) 6.112 10.109 ( -0.000 -14.064 -0.000) 14.064 10.310 ( -0.000 -8.346 -0.000) 8.346 10.703 ( 0.000 0.215 0.000) 0.215 10.802 ( 0.000 16.861 0.000) 16.861 11.128 ( 0.000 5.869 0.000) 5.869 12.873 ( -0.000 -7.193 -0.000) 7.193 15.500 ( 0.000 0.749 0.000) 0.749 15.698 ( -0.000 -5.466 -0.000) 5.466 15.771 ( 0.000 1.041 0.000) 1.041 16.060 ( 0.000 1.543 0.000) 1.543 16.304 ( -0.000 -1.629 -0.000) 1.629 16.403 ( 0.000 5.512 0.000) 5.512 17.681 ( -0.000 -3.513 -0.000) 3.513 18.338 ( -0.000 -5.020 -0.000) 5.020======================= Grid point 56 (30/74) =======================q-point: ( 0.08 -0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.758 ( 2.306 15.442 0.000) 15.613 1.162 ( -6.431 29.639 0.000) 30.329 2.052 ( -0.606 -2.633 -0.000) 2.702 2.149 ( -4.297 -6.008 -0.000) 7.386 2.331 ( 21.329 31.568 0.000) 38.098 2.608 ( -5.869 0.364 0.000) 5.880 2.663 ( 0.882 -5.033 -0.000) 5.110 2.873 ( 5.384 7.916 0.000) 9.574 3.244 ( -0.800 9.117 0.000) 9.152 3.248 ( -3.661 -6.438 -0.000) 7.407 3.290 ( -4.945 -5.928 -0.000) 7.720 3.487 ( 1.705 -4.389 -0.000) 4.709 3.970 ( 1.548 -3.496 -0.000) 3.823 4.073 ( 10.172 5.774 -0.000) 11.696 4.300 ( -7.695 -2.364 0.000) 8.050 4.645 ( 10.361 -3.964 -0.000) 11.093 5.137 ( -4.360 2.747 0.000) 5.153 5.272 ( 1.466 -5.124 -0.000) 5.330 5.292 ( 6.596 0.948 -0.000) 6.664 5.505 ( -0.368 11.680 0.000) 11.686 6.112 ( -11.022 -7.811 0.000) 13.510 6.569 ( -11.866 -9.711 0.000) 15.333 7.066 ( 9.751 -5.206 -0.000) 11.054 7.189 ( 3.767 10.178 0.000) 10.853 7.641 ( -2.901 -26.522 -0.000) 26.681 8.047 ( 0.719 11.917 0.000) 11.938 8.542 ( 0.242 1.162 0.000) 1.187 9.613 ( -10.520 6.990 0.000) 12.631 9.645 ( -7.555 -11.448 -0.000) 13.717 9.711 ( -6.581 -10.780 -0.000) 12.630 9.909 ( 1.830 4.290 0.000) 4.664 10.235 ( 10.860 -12.308 -0.000) 16.415 10.268 ( 11.233 11.084 -0.000) 15.781 10.671 ( -0.852 -1.023 -0.000) 1.332 11.195 ( 0.260 17.629 0.000) 17.631 11.344 ( 5.335 9.297 0.000) 10.719 12.620 ( -4.798 -12.790 -0.000) 13.661 15.521 ( -1.104 2.510 0.000) 2.743 15.580 ( 0.915 -6.472 -0.000) 6.536 15.742 ( -4.904 1.821 0.000) 5.231 16.001 ( -7.182 1.876 0.000) 7.423 16.310 ( 5.971 -4.211 -0.000) 7.307 16.523 ( -2.347 7.998 0.000) 8.335 17.565 ( -1.125 -5.796 -0.000) 5.904 18.244 ( 3.090 -7.753 -0.000) 8.347======================= Grid point 57 (31/74) =======================q-point: (-0.42 -0.08 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.584 ( 3.451 -3.451 -16.585) 17.288 1.966 ( 17.253 -17.253 -10.413) 26.528 2.217 ( -3.475 3.475 2.487) 5.508 2.422 ( -9.593 9.593 -5.987) 14.828 2.587 ( -8.067 8.067 -2.241) 11.626 2.605 ( -3.234 3.234 3.861) 5.985 2.952 ( -0.297 0.297 -10.388) 10.397 3.105 ( -0.300 0.300 0.949) 1.040 3.500 ( 0.518 -0.518 3.596) 3.670 3.625 ( 7.085 -7.085 -4.820) 11.119 3.698 ( 14.159 -14.159 -2.705) 20.205 4.043 ( 0.085 -0.085 16.213) 16.213 4.049 ( -0.167 0.167 -3.927) 3.935 4.240 ( 1.850 -1.850 -16.560) 16.766 4.500 ( -1.099 1.099 19.448) 19.510 4.571 ( 1.617 -1.617 21.696) 21.816 4.807 ( -5.007 5.007 5.455) 8.938 4.938 ( -1.511 1.511 -13.452) 13.620 5.087 ( -1.636 1.636 6.949) 7.324 5.192 ( -5.839 5.839 -28.676) 29.841 5.393 ( 3.462 -3.462 -0.633) 4.937 6.601 ( 10.300 -10.300 10.183) 17.773 7.668 ( -0.666 0.666 -5.463) 5.544 7.767 ( 1.323 -1.323 -1.161) 2.202 8.195 ( -3.449 3.449 -3.551) 6.033 8.778 ( -4.354 4.354 10.155) 11.876 9.026 ( 1.644 -1.644 -7.693) 8.037 9.059 ( 5.186 -5.186 17.810) 19.261 9.373 ( 0.651 -0.651 6.736) 6.799 9.613 ( -4.637 4.637 17.519) 18.706 10.067 ( -6.892 6.892 -3.529) 10.366 10.190 ( -0.360 0.360 -4.047) 4.078 10.271 ( 1.167 -1.167 -1.297) 2.099 10.966 ( 5.930 -5.930 -12.314) 14.899 10.967 ( 6.617 -6.617 -10.317) 13.928 11.674 ( -0.869 0.869 23.844) 23.876 12.183 ( -14.988 14.988 -8.695) 22.911 15.407 ( 1.408 -1.408 2.150) 2.930 15.829 ( -3.045 3.045 -2.404) 4.932 15.870 ( -3.901 3.901 -2.578) 6.089 16.042 ( -2.863 2.863 -1.514) 4.322 16.306 ( 10.343 -10.343 8.811) 17.076 16.631 ( 3.015 -3.015 -7.119) 8.298 16.841 ( 4.866 -4.866 -9.131) 11.434 17.353 ( -1.803 1.803 6.488) 6.971======================= Grid point 59 (32/74) =======================q-point: ( 0.08 -0.08 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.998 ( -2.734 8.219 0.000) 8.662 1.600 ( -2.340 21.344 0.000) 21.472 1.899 ( -11.699 1.296 0.000) 11.771 1.967 ( -3.405 -1.941 0.000) 3.919 2.422 ( -5.602 0.511 0.000) 5.625 2.670 ( 4.697 -1.132 -0.000) 4.832 3.014 ( 6.087 0.067 -0.000) 6.087 3.016 ( -1.485 -8.344 -0.000) 8.475 3.114 ( -3.539 -1.912 0.000) 4.023 3.186 ( 1.623 10.311 0.000) 10.438 3.436 ( 2.186 -3.899 -0.000) 4.470 3.475 ( 2.595 7.011 0.000) 7.476 3.933 ( 8.164 -1.907 -0.000) 8.384 4.127 ( -5.629 4.393 0.000) 7.140 4.582 ( 12.062 9.565 -0.000) 15.394 4.743 ( 11.579 -8.203 -0.000) 14.190 4.982 ( -0.860 -11.309 -0.000) 11.341 5.259 ( -4.403 7.209 0.000) 8.448 5.453 ( 7.775 -1.797 -0.000) 7.979 5.649 ( -15.997 -6.884 0.000) 17.415 5.715 ( -3.041 11.840 0.000) 12.225 6.179 ( -8.131 -6.654 0.000) 10.507 7.142 ( 9.048 -6.985 -0.000) 11.430 7.203 ( 6.392 -18.170 -0.000) 19.262 7.453 ( 0.800 8.378 0.000) 8.416 8.227 ( -3.265 7.970 0.000) 8.613 8.565 ( -0.229 0.913 0.000) 0.942 9.287 ( -3.655 -8.105 -0.000) 8.891 9.469 ( -0.426 -6.222 -0.000) 6.237 9.564 ( -10.103 8.853 0.000) 13.433 9.994 ( 0.046 2.191 0.000) 2.192 10.217 ( 13.643 -14.049 -0.000) 19.584 10.595 ( 5.076 3.620 -0.000) 6.235 10.642 ( -1.514 0.714 0.000) 1.674 11.451 ( -9.423 15.846 0.000) 18.436 11.713 ( 12.772 8.732 -0.000) 15.472 12.199 ( -8.141 -14.723 -0.000) 16.824 15.497 ( 2.581 -4.889 -0.000) 5.528 15.551 ( -3.020 4.152 0.000) 5.134 15.686 ( -4.777 2.984 0.000) 5.633 15.902 ( -5.467 2.135 0.000) 5.869 16.345 ( 6.813 -5.693 -0.000) 8.878 16.607 ( -4.730 7.021 0.000) 8.466 17.451 ( 1.213 -4.617 -0.000) 4.773 18.168 ( 4.450 -6.712 -0.000) 8.053======================= Grid point 61 (33/74) =======================q-point: ( 0.58 -0.08 -0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.865 ( -0.000 -4.770 -0.000) 4.770 2.024 ( 0.000 -6.489 -0.000) 6.489 2.087 ( 0.000 -2.498 -0.000) 2.498 2.374 ( 0.000 -6.144 -0.000) 6.144 2.529 ( -0.000 -2.143 0.000) 2.143 2.545 ( 0.000 10.947 -0.000) 10.947 2.982 ( -0.000 0.172 -0.000) 0.172 3.144 ( 0.000 -15.175 -0.000) 15.175 3.317 ( 0.000 11.791 -0.000) 11.791 3.840 ( 0.000 15.297 0.000) 15.297 3.949 ( 0.000 6.345 -0.000) 6.345 3.991 ( 0.000 -2.444 -0.000) 2.444 4.142 ( 0.000 2.461 0.000) 2.461 4.367 ( 0.000 1.218 -0.000) 1.218 4.495 ( -0.000 6.676 -0.000) 6.676 4.733 ( 0.000 -2.329 0.000) 2.329 4.787 ( -0.000 -3.554 -0.000) 3.554 4.837 ( 0.000 -1.438 -0.000) 1.438 4.907 ( -0.000 -3.822 0.000) 3.822 4.927 ( -0.000 -0.004 -0.000) 0.004 5.509 ( 0.000 -6.423 -0.000) 6.423 7.223 ( -0.000 5.006 -0.000) 5.006 7.289 ( 0.000 4.644 -0.000) 4.644 7.752 ( 0.000 -7.337 0.000) 7.337 8.199 ( 0.000 12.638 0.000) 12.638 8.695 ( 0.000 -6.444 -0.000) 6.444 9.044 ( 0.000 6.405 -0.000) 6.405 9.210 ( 0.000 5.973 -0.000) 5.973 9.414 ( 0.000 -5.337 -0.000) 5.337 9.609 ( 0.000 -7.843 0.000) 7.843 9.710 ( -0.000 -7.206 -0.000) 7.206 10.166 ( 0.000 2.770 -0.000) 2.770 10.306 ( 0.000 -1.230 -0.000) 1.230 11.182 ( 0.000 -0.991 -0.000) 0.991 11.340 ( 0.000 2.279 -0.000) 2.279 11.515 ( -0.000 -4.238 -0.000) 4.238 11.654 ( -0.000 3.256 -0.000) 3.256 15.512 ( -0.000 0.138 -0.000) 0.138 15.608 ( 0.000 0.173 -0.000) 0.173 15.809 ( 0.000 -6.468 -0.000) 6.468 16.003 ( 0.000 -7.012 -0.000) 7.012 16.615 ( -0.000 7.319 -0.000) 7.319 16.670 ( 0.000 6.488 0.000) 6.488 17.027 ( 0.000 1.116 -0.000) 1.116 17.269 ( -0.000 -0.239 0.000) 0.239======================= Grid point 63 (34/74) =======================q-point: ( 0.58 -0.08 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 173Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.697 ( -0.020 0.020 9.627) 9.627 2.039 ( 2.001 -2.001 -2.988) 4.115 2.079 ( 5.212 -5.212 2.895) 7.919 2.332 ( 5.002 -5.002 -1.584) 7.249 2.493 ( 1.567 -1.567 -4.428) 4.951 2.621 ( -9.566 9.566 6.755) 15.121 2.938 ( 5.875 -5.875 -6.311) 10.433 2.974 ( -1.017 1.017 7.341) 7.480 3.536 ( -2.670 2.670 -1.156) 3.948 3.935 ( 2.822 -2.822 -0.457) 4.017 4.001 ( -10.067 10.067 9.571) 17.155 4.101 ( -5.007 5.007 21.355) 22.498 4.121 ( -3.504 3.504 -20.352) 20.947 4.442 ( 2.073 -2.073 -17.194) 17.443 4.512 ( -10.889 10.889 10.071) 18.400 4.633 ( -0.737 0.737 -20.296) 20.322 4.730 ( 0.877 -0.877 -17.511) 17.554 4.791 ( 5.717 -5.717 13.410) 15.658 4.922 ( 5.729 -5.729 27.530) 28.698 5.020 ( 1.312 -1.312 -6.051) 6.329 5.374 ( 4.417 -4.417 0.734) 6.290 7.103 ( -12.818 12.818 -5.300) 18.886 7.591 ( 6.405 -6.405 0.407) 9.067 7.620 ( 1.701 -1.701 2.491) 3.463 8.359 ( -8.242 8.242 4.052) 12.340 8.626 ( 2.819 -2.819 -4.466) 5.986 9.093 ( -1.958 1.958 9.491) 9.886 9.304 ( -4.385 4.385 -12.044) 13.547 9.384 ( 0.653 -0.653 -3.011) 3.149 9.388 ( 3.972 -3.972 -9.027) 10.632 9.700 ( 9.533 -9.533 2.604) 13.730 10.198 ( -0.475 0.475 3.951) 4.007 10.276 ( 1.358 -1.358 -2.265) 2.969 11.149 ( -2.125 2.125 4.544) 5.447 11.253 ( -6.361 6.361 6.316) 10.992 11.587 ( 7.818 -7.818 -4.214) 11.832 11.718 ( 1.319 -1.319 -1.420) 2.344 15.483 ( -2.082 2.082 -1.286) 3.212 15.688 ( 3.291 -3.291 2.295) 5.189 15.698 ( 3.619 -3.619 0.084) 5.119 15.906 ( 3.479 -3.479 0.522) 4.947 16.682 ( -6.771 6.771 -12.273) 15.567 16.758 ( -2.734 2.734 7.971) 8.860 17.019 ( -3.212 3.212 8.205) 9.379 17.280 ( 1.371 -1.371 -5.133) 5.487======================= Grid point 68 (35/74) =======================q-point: (-0.27 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.303 ( 0.000 -14.473 -15.837) 21.454 1.428 ( -0.000 -24.128 -13.814) 27.803 2.325 ( 0.000 1.178 -2.267) 2.555 2.376 ( 0.000 11.629 -5.748) 12.972 2.541 ( 0.000 6.381 -11.829) 13.440 2.706 ( -0.000 -0.472 -0.276) 0.547 2.771 ( 0.000 7.835 -2.023) 8.092 3.128 ( -0.000 -10.940 -1.974) 11.116 3.373 ( 0.000 -8.186 -11.270) 13.929 3.485 ( 0.000 4.002 -0.021) 4.002 3.561 ( -0.000 -5.664 -3.183) 6.497 3.634 ( 0.000 -4.593 -19.626) 20.157 4.264 ( -0.000 -0.243 8.432) 8.436 4.270 ( -0.000 1.629 5.961) 6.180 4.658 ( 0.000 10.249 -23.087) 25.260 4.729 ( 0.000 0.568 -11.352) 11.366 4.862 ( -0.000 2.682 16.851) 17.063 4.899 ( -0.000 -2.455 5.066) 5.629 5.015 ( -0.000 -5.852 9.944) 11.538 5.207 ( -0.000 5.710 6.770) 8.857 5.403 ( -0.000 -9.482 4.922) 10.683 6.693 ( -0.000 -9.112 9.335) 13.045 7.465 ( 0.000 -0.614 -14.927) 14.939 7.501 ( 0.000 -3.947 -15.507) 16.002 8.232 ( 0.000 16.791 0.013) 16.791 8.609 ( 0.000 -3.490 -21.234) 21.519 9.307 ( -0.000 1.907 18.129) 18.229 9.338 ( -0.000 -0.165 19.635) 19.636 9.520 ( -0.000 -2.021 7.191) 7.470 9.910 ( 0.000 12.244 3.377) 12.702 10.074 ( 0.000 5.645 -5.109) 7.614 10.137 ( 0.000 4.771 -1.120) 4.901 10.290 ( -0.000 -6.264 8.203) 10.321 10.633 ( 0.000 -6.839 -13.282) 14.939 10.743 ( -0.000 -14.847 -3.660) 15.291 12.159 ( -0.000 4.264 22.923) 23.316 12.161 ( 0.000 25.770 -13.055) 28.888 15.436 ( -0.000 -1.299 2.004) 2.388 15.813 ( 0.000 5.739 -3.165) 6.554 15.855 ( 0.000 -0.327 -2.220) 2.244 16.078 ( 0.000 -0.268 -0.884) 0.924 16.313 ( -0.000 -20.481 10.455) 22.995 16.464 ( 0.000 -0.528 -5.347) 5.373 16.643 ( 0.000 -5.602 -7.016) 8.979 17.499 ( -0.000 1.697 6.497) 6.715======================= Grid point 69 (36/74) =======================q-point: ( 0.23 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -0.000 12.342 33.128) 35.352 1.364 ( 0.000 27.232 4.218) 27.557 1.983 ( 0.000 39.283 4.872) 39.584 2.122 ( -0.000 -2.145 0.286) 2.164 2.390 ( -0.000 -4.935 18.888) 19.522 2.571 ( 0.000 -6.740 -7.184) 9.851 2.690 ( 0.000 1.768 -1.110) 2.088 2.793 ( 0.000 4.721 -1.254) 4.885 3.265 ( 0.000 4.058 -0.629) 4.106 3.362 ( -0.000 -4.872 2.264) 5.372 3.397 ( -0.000 -3.779 3.599) 5.219 3.585 ( -0.000 -8.565 12.997) 15.566 3.828 ( 0.000 16.574 0.403) 16.578 4.073 ( -0.000 -14.201 2.935) 14.501 4.447 ( -0.000 -2.451 3.084) 3.940 4.465 ( 0.000 -2.341 -2.926) 3.748 5.166 ( -0.000 -8.656 -3.594) 9.373 5.204 ( 0.000 8.979 -2.270) 9.261 5.234 ( -0.000 -1.574 -0.201) 1.587 5.519 ( 0.000 12.287 -0.394) 12.293 6.042 ( 0.000 2.265 -15.257) 15.424 6.912 ( -0.000 -6.899 11.951) 13.799 6.927 ( -0.000 -7.466 6.060) 9.616 7.133 ( 0.000 11.920 -1.620) 12.030 7.679 ( -0.000 -31.096 1.555) 31.135 8.129 ( 0.000 13.292 8.734) 15.905 8.883 ( -0.000 -12.709 28.935) 31.603 9.731 ( 0.000 -7.186 -7.703) 10.534 9.733 ( -0.000 -9.653 0.700) 9.678 9.781 ( 0.000 4.056 -1.977) 4.513 9.909 ( 0.000 -5.382 -9.675) 11.071 9.926 ( -0.000 2.413 3.928) 4.610 10.275 ( -0.000 3.325 10.601) 11.110 10.665 ( 0.000 -1.655 -2.233) 2.780 11.147 ( 0.000 14.245 -0.748) 14.264 11.336 ( 0.000 11.613 2.149) 11.810 12.589 ( -0.000 -12.732 -7.802) 14.932 15.526 ( 0.000 2.488 -0.796) 2.612 15.586 ( -0.000 -6.180 1.492) 6.358 15.810 ( 0.000 1.715 0.921) 1.947 16.099 ( 0.000 2.377 -0.339) 2.401 16.265 ( -0.000 -4.079 2.442) 4.754 16.575 ( 0.000 8.096 2.803) 8.568 17.487 ( 0.000 -5.335 -10.961) 12.191 17.922 ( 0.000 2.168 -21.447) 21.556======================= Grid point 70 (37/74) =======================q-point: ( 0.23 -0.10 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -4.074 11.550 26.806) 29.472 1.740 ( -6.298 21.667 2.615) 22.715 2.089 ( -9.232 9.505 -0.426) 13.257 2.218 ( -3.997 -3.041 13.818) 14.702 2.502 ( 0.817 -2.321 -2.084) 3.225 2.636 ( -5.233 0.300 -0.424) 5.258 2.818 ( 9.865 7.894 -3.265) 13.050 2.980 ( 1.975 6.944 -4.314) 8.410 3.195 ( -1.463 -9.097 9.474) 13.216 3.238 ( -3.992 2.039 3.195) 5.505 3.345 ( 7.179 0.381 0.178) 7.191 3.522 ( 3.450 2.868 8.683) 9.774 3.839 ( 0.770 -5.891 3.481) 6.886 4.277 ( 14.071 4.295 -1.137) 14.755 4.310 ( -5.906 2.534 2.584) 6.927 4.536 ( 6.493 -3.329 -1.875) 7.533 4.950 ( 2.170 -12.497 -1.861) 12.820 5.289 ( 0.842 3.898 -3.522) 5.321 5.337 ( 0.669 3.768 -1.441) 4.089 5.713 ( -3.919 5.569 -4.792) 8.327 5.931 ( -8.460 0.966 -2.342) 8.831 6.519 ( -10.701 -7.213 13.781) 18.880 6.999 ( 11.795 -11.670 9.146) 18.946 7.105 ( 5.929 -25.424 4.508) 26.493 7.439 ( 1.662 14.176 0.872) 14.300 8.365 ( -2.323 11.230 7.606) 13.760 8.723 ( -1.389 -2.503 14.774) 15.049 9.378 ( -6.370 -12.599 -3.409) 14.523 9.455 ( -2.651 -10.631 -1.539) 11.064 9.783 ( -4.576 4.323 -3.465) 7.186 9.837 ( 5.137 -8.014 -5.431) 10.960 10.063 ( 0.445 4.136 3.775) 5.618 10.514 ( 8.740 4.669 6.621) 11.918 10.637 ( -1.386 0.437 -3.748) 4.019 11.427 ( 9.034 7.355 -2.839) 11.991 11.645 ( -6.423 19.700 -0.379) 20.724 12.256 ( -3.486 -16.057 -6.480) 17.663 15.463 ( 1.276 -5.629 0.727) 5.817 15.612 ( -2.144 6.597 -0.003) 6.936 15.790 ( -4.853 2.244 0.379) 5.360 16.047 ( -8.383 2.857 -0.785) 8.892 16.240 ( 6.017 -5.329 2.811) 8.515 16.711 ( -2.552 7.530 2.878) 8.456 17.355 ( 1.233 -7.463 -7.109) 10.380 17.928 ( 7.152 -8.111 -11.399) 15.712======================= Grid point 73 (38/74) =======================q-point: ( 0.23 -0.10 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( -7.083 7.083 24.805) 26.751 1.958 ( -10.271 10.271 0.768) 14.546 2.080 ( -17.623 17.623 -1.732) 24.983 2.175 ( -2.798 2.798 14.905) 15.421 2.397 ( -1.981 1.981 -4.952) 5.690 2.648 ( 4.139 -4.139 5.500) 8.031 2.895 ( 2.594 -2.594 0.753) 3.745 2.938 ( 4.638 -4.638 -3.473) 7.422 3.064 ( 0.435 -0.435 1.507) 1.628 3.295 ( -0.668 0.668 -2.045) 2.253 3.432 ( 0.837 -0.837 6.622) 6.726 3.658 ( -0.806 0.806 9.799) 9.865 3.928 ( 3.357 -3.357 1.664) 5.030 4.235 ( -6.628 6.628 0.336) 9.380 4.514 ( 10.745 -10.745 -4.109) 15.741 4.581 ( 12.988 -12.988 -0.475) 18.375 4.812 ( -0.939 0.939 0.484) 1.413 5.378 ( 0.846 -0.846 -4.858) 5.004 5.422 ( -3.073 3.073 -0.295) 4.356 5.519 ( -4.931 4.931 -8.558) 11.039 5.944 ( -8.232 8.232 0.008) 11.642 6.302 ( -0.991 0.991 19.009) 19.060 6.842 ( 18.318 -18.318 4.205) 26.245 7.057 ( 10.175 -10.175 10.599) 17.871 7.636 ( -6.906 6.906 2.380) 10.052 8.459 ( -6.853 6.853 7.721) 12.391 8.688 ( -0.351 0.351 10.053) 10.065 9.150 ( 3.787 -3.787 -1.809) 5.653 9.308 ( 4.253 -4.253 -3.612) 7.016 9.788 ( -12.776 12.776 -0.920) 18.091 9.799 ( 15.057 -15.057 -7.492) 22.573 10.107 ( -1.230 1.230 5.345) 5.621 10.625 ( -1.689 1.689 -4.895) 5.446 10.664 ( 2.433 -2.433 5.101) 6.153 11.763 ( 4.464 -4.464 -5.640) 8.465 11.770 ( -13.966 13.966 -0.854) 19.769 11.901 ( 3.769 -3.769 -3.246) 6.241 15.416 ( 3.441 -3.441 0.621) 4.905 15.674 ( -6.791 6.791 0.400) 9.612 15.755 ( -3.834 3.834 -0.083) 5.423 15.968 ( -5.256 5.256 -1.009) 7.501 16.253 ( 6.360 -6.360 2.980) 9.475 16.763 ( -5.338 5.338 2.930) 8.097 17.285 ( 4.810 -4.810 -6.342) 9.300 17.913 ( 9.264 -9.264 -8.359) 15.541======================= Grid point 76 (39/74) =======================q-point: (-0.27 -0.10 0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.685 ( 9.825 -6.048 -1.719) 11.664 1.949 ( -0.577 -3.465 -2.902) 4.556 2.121 ( 1.112 0.206 5.213) 5.334 2.297 ( -0.605 -4.962 0.087) 5.000 2.401 ( -4.760 2.577 -10.258) 11.598 2.652 ( 6.784 -4.197 0.125) 7.978 2.897 ( -4.583 0.695 0.021) 4.635 3.043 ( 3.487 -3.268 3.965) 6.210 3.514 ( -0.861 9.203 -6.978) 11.581 3.675 ( 2.136 5.822 -20.516) 21.432 3.840 ( -3.112 -2.888 -11.701) 12.448 4.018 ( 8.408 3.922 -9.773) 13.475 4.142 ( -1.068 2.006 -22.782) 22.895 4.355 ( -4.511 3.166 0.052) 5.511 4.467 ( -6.325 -0.749 -0.218) 6.373 4.666 ( -0.410 11.422 2.300) 11.658 4.800 ( 3.403 2.813 12.904) 13.639 4.921 ( 2.423 -6.171 9.198) 11.338 5.018 ( -7.118 2.213 9.480) 12.059 5.329 ( 5.684 -5.722 22.040) 23.469 5.342 ( 1.394 -8.980 3.874) 9.879 7.226 ( -5.069 2.653 -16.814) 17.761 7.377 ( -5.400 2.250 -6.157) 8.493 7.455 ( 6.511 0.735 -3.759) 7.554 8.139 ( 1.554 9.209 -26.460) 28.059 8.791 ( -1.196 -1.079 11.566) 11.678 8.919 ( 4.089 -1.937 -12.443) 13.240 9.242 ( -7.414 -4.719 -6.985) 11.227 9.386 ( -4.389 -8.186 -2.142) 9.532 9.563 ( 1.692 -2.210 2.704) 3.881 9.610 ( -5.076 6.564 12.825) 15.275 10.178 ( 3.589 -0.720 -2.220) 4.281 10.337 ( -1.572 -2.057 7.198) 7.649 11.052 ( 1.528 3.590 -10.133) 10.858 11.379 ( 10.863 -1.970 1.904) 11.203 11.514 ( -0.814 0.658 4.656) 4.772 11.813 ( -6.291 -0.741 8.898) 10.923 15.516 ( -2.232 1.035 -0.333) 2.483 15.603 ( 2.189 -0.376 -1.041) 2.453 15.686 ( 1.068 -5.013 0.267) 5.133 15.875 ( 0.588 -5.187 0.351) 5.232 16.599 ( -4.263 6.649 -7.772) 11.081 16.891 ( 5.213 -2.117 -10.162) 11.616 16.977 ( -0.960 2.765 11.444) 11.812 17.485 ( -1.685 3.336 15.955) 16.387======================= Grid point 81 (40/74) =======================q-point: (-0.13 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.767 ( 0.000 0.000 -19.734) 19.734 0.767 ( 0.000 0.000 -19.734) 19.734 1.826 ( 0.000 0.000 -37.657) 37.657 2.350 ( 0.000 0.000 -6.733) 6.733 2.704 ( 0.000 0.000 -0.569) 0.569 2.736 ( -0.000 -0.000 8.991) 8.991 2.913 ( 0.000 0.000 -21.722) 21.722 2.928 ( 0.000 0.000 -1.376) 1.376 2.928 ( 0.000 0.000 -1.376) 1.376 3.228 ( 0.000 0.000 -7.133) 7.133 3.510 ( 0.000 0.000 -1.146) 1.146 3.510 ( 0.000 0.000 -1.146) 1.146 4.381 ( 0.000 0.000 -15.846) 15.846 4.422 ( -0.000 -0.000 6.929) 6.929 4.422 ( -0.000 -0.000 6.929) 6.929 4.579 ( 0.000 0.000 -5.849) 5.849 4.796 ( 0.000 0.000 -9.391) 9.391 5.126 ( -0.000 -0.000 8.121) 8.121 5.126 ( -0.000 -0.000 8.121) 8.121 5.369 ( -0.000 -0.000 3.755) 3.755 5.369 ( -0.000 -0.000 3.755) 3.755 6.769 ( -0.000 -0.000 7.420) 7.420 7.212 ( 0.000 0.000 -9.989) 9.989 7.212 ( 0.000 0.000 -9.989) 9.989 8.120 ( 0.000 0.000 -22.488) 22.488 8.465 ( -0.000 -0.000 2.094) 2.094 9.589 ( -0.000 -0.000 8.041) 8.041 9.589 ( -0.000 -0.000 8.041) 8.041 9.625 ( -0.000 -0.000 5.298) 5.298 10.032 ( 0.000 0.000 -4.121) 4.121 10.032 ( 0.000 0.000 -4.121) 4.121 10.357 ( -0.000 -0.000 5.747) 5.747 10.407 ( 0.000 0.000 -4.284) 4.284 10.407 ( 0.000 0.000 -4.284) 4.284 10.442 ( -0.000 -0.000 14.645) 14.645 12.371 ( 0.000 0.000 -6.056) 6.056 12.604 ( -0.000 -0.000 17.348) 17.348 15.461 ( -0.000 -0.000 1.639) 1.639 15.807 ( 0.000 0.000 -2.161) 2.161 15.807 ( 0.000 0.000 -2.161) 2.161 16.057 ( 0.000 0.000 -0.722) 0.722 16.057 ( 0.000 0.000 -0.722) 0.722 16.364 ( 0.000 0.000 -3.312) 3.312 16.481 ( 0.000 0.000 -4.778) 4.778 17.622 ( -0.000 -0.000 4.669) 4.669======================= Grid point 82 (41/74) =======================q-point: ( 0.37 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.836 ( 0.000 12.162 1.980) 12.322 1.955 ( -0.000 10.826 22.662) 25.115 2.232 ( 0.000 14.022 -0.652) 14.037 2.303 ( 0.000 -3.788 -7.584) 8.477 2.575 ( 0.000 7.911 -2.751) 8.376 2.609 ( -0.000 -4.580 -3.644) 5.853 2.805 ( -0.000 -0.123 26.517) 26.517 2.923 ( 0.000 13.567 -0.060) 13.567 3.207 ( -0.000 -6.793 -0.346) 6.802 3.389 ( -0.000 1.078 3.749) 3.900 3.511 ( -0.000 1.789 10.614) 10.764 3.694 ( -0.000 -10.613 19.275) 22.004 3.957 ( -0.000 -4.172 6.169) 7.448 4.039 ( 0.000 3.410 -2.076) 3.992 4.402 ( 0.000 1.221 -1.872) 2.235 4.504 ( -0.000 -0.523 6.176) 6.198 4.857 ( -0.000 -10.828 -4.066) 11.566 5.119 ( 0.000 -0.767 -12.207) 12.231 5.288 ( 0.000 5.920 -5.496) 8.078 5.644 ( 0.000 5.106 -6.900) 8.584 5.851 ( 0.000 5.300 -13.694) 14.684 6.950 ( -0.000 -16.780 10.199) 19.637 7.160 ( -0.000 -3.674 24.639) 24.911 7.184 ( -0.000 -13.886 10.159) 17.205 7.450 ( 0.000 14.795 5.306) 15.718 8.591 ( -0.000 10.482 13.167) 16.830 9.099 ( -0.000 -10.850 18.370) 21.335 9.348 ( -0.000 -10.824 -9.050) 14.109 9.408 ( 0.000 -12.599 -13.692) 18.606 9.554 ( -0.000 -13.710 3.397) 14.125 9.918 ( 0.000 9.939 -2.364) 10.216 10.095 ( 0.000 6.506 0.884) 6.566 10.546 ( 0.000 -0.967 -7.178) 7.243 10.628 ( -0.000 4.856 15.482) 16.226 11.276 ( 0.000 1.919 -1.731) 2.584 11.691 ( 0.000 21.423 -2.175) 21.533 12.100 ( -0.000 -15.157 -12.674) 19.758 15.472 ( -0.000 -5.574 1.378) 5.742 15.625 ( 0.000 6.601 -0.605) 6.629 15.865 ( 0.000 1.642 0.932) 1.888 16.129 ( 0.000 2.046 -1.382) 2.469 16.240 ( -0.000 -5.559 4.988) 7.468 16.814 ( 0.000 7.387 5.157) 9.009 17.123 ( 0.000 -4.214 -14.535) 15.134 17.593 ( 0.000 -4.357 -12.429) 13.171======================= Grid point 83 (42/74) =======================q-point: ( 0.37 -0.12 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.061 ( -4.898 12.767 7.302) 15.502 2.076 ( -3.513 6.648 11.397) 13.653 2.242 ( -2.679 -0.214 -7.496) 7.963 2.324 ( -7.987 8.175 -5.247) 12.575 2.483 ( -10.953 5.112 0.092) 12.087 2.666 ( 6.681 -5.288 -8.590) 12.099 2.852 ( 6.957 -2.519 21.762) 22.986 3.010 ( -6.468 3.420 3.465) 8.095 3.207 ( 3.761 -7.268 11.048) 13.749 3.283 ( -4.979 -0.656 2.961) 5.830 3.606 ( 1.528 4.871 13.195) 14.148 3.765 ( 13.301 3.189 5.465) 14.729 3.892 ( -1.444 -0.616 9.724) 9.850 4.159 ( 10.887 -6.893 -5.380) 13.963 4.337 ( 5.827 -14.795 -3.096) 16.199 4.455 ( -7.362 5.730 4.290) 10.268 4.830 ( 2.644 2.769 1.742) 4.206 5.135 ( 1.693 -0.480 -15.773) 15.871 5.363 ( -1.289 5.072 -7.324) 9.002 5.550 ( -6.469 -4.544 -5.401) 9.574 5.965 ( -4.669 8.899 -13.290) 16.662 6.570 ( 9.360 -21.388 8.697) 24.914 6.936 ( -4.208 -2.412 26.841) 27.276 7.223 ( 8.381 -5.961 24.886) 26.927 7.792 ( -1.229 14.310 5.242) 15.289 8.762 ( -1.584 7.792 12.349) 14.687 8.915 ( -2.188 -5.050 8.473) 10.104 9.050 ( -1.906 -7.236 -3.224) 8.148 9.266 ( -1.003 -8.908 2.898) 9.421 9.340 ( 12.364 -14.211 -9.836) 21.251 9.999 ( -10.502 11.497 -2.394) 15.754 10.236 ( -0.827 5.219 2.457) 5.828 10.518 ( -1.392 0.236 -8.796) 8.908 10.745 ( 4.139 0.179 13.333) 13.961 11.422 ( 9.533 2.045 -7.766) 12.465 11.765 ( -1.246 -15.000 -10.090) 18.120 12.025 ( -8.697 17.939 -1.338) 19.981 15.387 ( 1.500 -3.872 1.470) 4.404 15.776 ( -2.888 9.664 -1.052) 10.141 15.840 ( -4.555 2.362 0.012) 5.131 16.073 ( -7.323 2.340 -2.005) 7.945 16.201 ( 6.145 -6.080 4.836) 9.905 16.920 ( -2.267 5.076 4.818) 7.357 17.047 ( 3.294 -5.789 -9.510) 11.611 17.532 ( 7.546 -9.031 -11.092) 16.172======================= Grid point 85 (43/74) =======================q-point: (-0.13 -0.12 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 173Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.367 ( 9.336 9.336 -6.659) 14.788 1.869 ( 1.733 1.733 -30.275) 30.374 1.997 ( -6.252 -6.252 -1.499) 8.968 2.235 ( -1.317 -1.317 4.966) 5.304 2.482 ( -4.934 -4.934 0.332) 6.986 2.726 ( 0.295 0.295 8.469) 8.479 2.744 ( 9.288 9.288 -6.588) 14.695 3.068 ( 8.242 8.242 -20.313) 23.419 3.112 ( -2.081 -2.081 2.376) 3.782 3.467 ( 1.533 1.533 -7.500) 7.807 3.616 ( 7.512 7.512 -9.399) 14.184 3.680 ( -7.720 -7.720 -16.973) 20.181 3.965 ( -1.787 -1.787 -0.859) 2.669 4.310 ( -5.683 -5.683 -8.098) 11.409 4.408 ( 13.308 13.308 -3.578) 19.157 4.657 ( 2.938 2.938 7.682) 8.734 5.027 ( -0.939 -0.939 3.404) 3.654 5.102 ( -1.675 -1.675 9.497) 9.788 5.305 ( 0.681 0.681 8.859) 8.911 5.455 ( -1.506 -1.506 6.695) 7.025 5.600 ( -1.272 -1.272 12.901) 13.026 6.826 ( -4.954 -4.954 -22.766) 23.819 7.275 ( 8.759 8.759 1.563) 12.485 7.514 ( -2.349 -2.349 -8.042) 8.702 7.622 ( -3.032 -3.032 -14.888) 15.493 8.439 ( 4.219 4.219 -16.669) 17.705 9.136 ( -8.857 -8.857 -20.407) 23.945 9.226 ( -5.572 -5.572 13.963) 16.033 9.462 ( -5.504 -5.504 0.935) 7.840 9.592 ( -5.987 -5.987 -1.809) 8.659 9.972 ( 2.965 2.965 15.116) 15.687 10.050 ( 1.559 1.559 -4.449) 4.965 10.520 ( -2.007 -2.007 6.964) 7.520 10.794 ( 6.402 6.402 -9.765) 13.316 11.188 ( 6.398 6.398 1.004) 9.103 11.502 ( 4.566 4.566 -0.954) 6.527 12.207 ( -8.535 -8.535 12.457) 17.346 15.514 ( 1.070 1.070 0.132) 1.518 15.610 ( -2.658 -2.658 -1.382) 4.004 15.676 ( -2.031 -2.031 -0.883) 3.005 15.897 ( -2.713 -2.713 0.026) 3.837 16.540 ( 2.240 2.240 -3.514) 4.731 16.602 ( 1.714 1.714 -8.570) 8.906 17.239 ( -0.268 -0.268 13.948) 13.953 17.784 ( 3.830 3.830 16.951) 17.796======================= Grid point 88 (44/74) =======================q-point: (-0.13 -0.12 -0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 103Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 0.000 0.000 0.793) 0.793 1.792 ( -0.000 -0.000 -5.207) 5.207 1.889 ( 0.000 0.000 -28.758) 28.758 2.292 ( -0.000 -0.000 -0.333) 0.333 2.294 ( 0.000 0.000 2.360) 2.360 2.719 ( 0.000 0.000 10.615) 10.615 2.884 ( 0.000 0.000 -8.805) 8.805 3.071 ( 0.000 0.000 3.509) 3.509 3.311 ( 0.000 0.000 -18.756) 18.756 3.346 ( -0.000 -0.000 -16.669) 16.669 3.569 ( 0.000 0.000 -4.412) 4.412 3.861 ( -0.000 -0.000 -12.035) 12.035 4.088 ( -0.000 -0.000 0.480) 0.480 4.106 ( 0.000 0.000 -7.619) 7.619 4.729 ( 0.000 0.000 8.169) 8.169 4.783 ( 0.000 0.000 -3.186) 3.186 5.048 ( -0.000 -0.000 -1.964) 1.964 5.050 ( -0.000 -0.000 7.980) 7.980 5.142 ( 0.000 0.000 12.866) 12.866 5.333 ( 0.000 0.000 13.516) 13.516 5.635 ( 0.000 0.000 9.751) 9.751 6.716 ( 0.000 0.000 -27.227) 27.227 7.350 ( 0.000 0.000 -2.806) 2.806 7.487 ( 0.000 0.000 -0.167) 0.167 7.677 ( 0.000 0.000 -26.417) 26.417 8.539 ( 0.000 0.000 -17.231) 17.231 8.957 ( 0.000 0.000 -15.446) 15.446 9.090 ( 0.000 0.000 13.527) 13.527 9.291 ( 0.000 0.000 1.150) 1.150 9.499 ( 0.000 0.000 -0.244) 0.244 10.036 ( 0.000 0.000 13.994) 13.994 10.087 ( 0.000 0.000 -3.857) 3.857 10.468 ( 0.000 0.000 7.551) 7.551 10.934 ( 0.000 0.000 -9.422) 9.422 11.321 ( 0.000 0.000 0.223) 0.223 11.726 ( 0.000 0.000 9.147) 9.147 11.914 ( -0.000 -0.000 5.670) 5.670 15.537 ( -0.000 -0.000 0.107) 0.107 15.557 ( 0.000 0.000 -1.807) 1.807 15.632 ( 0.000 0.000 -0.309) 0.309 15.832 ( 0.000 0.000 0.639) 0.639 16.588 ( 0.000 0.000 -3.645) 3.645 16.639 ( 0.000 0.000 -9.450) 9.450 17.215 ( 0.000 0.000 10.737) 10.737 17.855 ( 0.000 0.000 16.186) 16.186======================= Grid point 95 (45/74) =======================q-point: ( 0.52 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.983 ( 0.000 1.992 -6.474) 6.774 2.169 ( 0.000 1.653 -3.262) 3.657 2.295 ( -0.000 -10.961 -9.369) 14.420 2.315 ( 0.000 4.844 -6.938) 8.462 2.466 ( -0.000 3.058 8.734) 9.254 2.636 ( 0.000 12.547 0.013) 12.547 2.987 ( 0.000 -1.352 -4.125) 4.341 3.287 ( 0.000 6.676 3.922) 7.743 3.300 ( -0.000 -0.868 20.416) 20.434 3.386 ( -0.000 -4.906 -1.132) 5.034 3.813 ( -0.000 2.044 12.871) 13.032 3.891 ( -0.000 -4.826 15.835) 16.554 3.962 ( -0.000 -5.441 -1.511) 5.647 4.193 ( -0.000 0.664 19.609) 19.620 4.234 ( -0.000 -10.605 0.249) 10.608 4.661 ( -0.000 3.425 6.866) 7.673 4.732 ( 0.000 -0.695 -22.101) 22.112 4.830 ( 0.000 5.250 3.100) 6.097 5.199 ( 0.000 1.991 -12.000) 12.164 5.532 ( -0.000 -4.214 -3.452) 5.448 5.635 ( 0.000 8.033 -24.077) 25.382 6.631 ( -0.000 -21.822 8.821) 23.537 7.465 ( -0.000 5.658 13.807) 14.922 7.615 ( -0.000 -2.201 23.601) 23.704 7.939 ( 0.000 13.470 11.495) 17.708 8.837 ( 0.000 -3.378 -4.167) 5.364 8.918 ( 0.000 -8.312 -10.119) 13.095 9.114 ( -0.000 -0.167 6.278) 6.280 9.256 ( -0.000 -3.556 14.625) 15.051 9.393 ( -0.000 -10.687 5.932) 12.223 10.080 ( 0.000 10.741 -3.637) 11.340 10.183 ( 0.000 3.831 -3.070) 4.909 10.375 ( 0.000 -1.169 -7.027) 7.123 11.047 ( -0.000 2.707 17.762) 17.967 11.174 ( 0.000 -3.914 -6.569) 7.647 11.550 ( -0.000 -13.871 -10.462) 17.374 12.057 ( 0.000 21.393 -5.152) 22.005 15.407 ( -0.000 -3.890 1.975) 4.362 15.767 ( 0.000 9.315 -2.178) 9.566 15.901 ( 0.000 0.942 -0.091) 0.947 16.127 ( 0.000 1.133 -2.057) 2.348 16.225 ( -0.000 -7.697 6.880) 10.324 16.800 ( 0.000 -2.765 -10.935) 11.279 17.010 ( -0.000 0.432 1.118) 1.198 17.292 ( 0.000 -3.721 -4.792) 6.067======================= Grid point 96 (46/74) =======================q-point: (-0.48 -0.15 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( 2.131 -2.131 -15.958) 16.240 2.149 ( 4.056 -4.056 -6.644) 8.777 2.232 ( 5.824 -5.824 -5.534) 9.923 2.491 ( -5.852 5.852 8.305) 11.724 2.543 ( -11.202 11.202 -6.132) 16.988 2.609 ( -9.561 9.561 -0.818) 13.545 3.064 ( -1.050 1.050 3.983) 4.251 3.124 ( -0.152 0.152 -7.328) 7.331 3.312 ( 2.677 -2.677 17.624) 18.026 3.573 ( 4.132 -4.132 16.375) 17.386 3.701 ( 11.893 -11.893 1.874) 16.924 3.827 ( 3.129 -3.129 -1.567) 4.695 3.970 ( 3.611 -3.611 8.734) 10.117 4.163 ( 0.180 -0.180 15.197) 15.199 4.167 ( 0.543 -0.543 12.290) 12.314 4.698 ( -8.361 8.361 5.024) 12.847 4.722 ( 1.146 -1.146 -23.912) 23.967 4.964 ( -1.246 1.246 5.426) 5.705 5.206 ( -1.404 1.404 -13.844) 13.986 5.417 ( 3.044 -3.044 -1.737) 4.642 5.731 ( -5.480 5.480 -25.080) 26.251 6.397 ( 12.219 -12.219 10.810) 20.383 7.490 ( -2.341 2.341 22.974) 23.212 7.606 ( 2.364 -2.364 19.019) 19.310 8.141 ( -5.046 5.046 7.601) 10.426 8.718 ( -0.207 0.207 -5.134) 5.143 8.924 ( 8.391 -8.391 -3.771) 12.452 9.077 ( 2.295 -2.295 3.970) 5.128 9.240 ( -3.093 3.093 19.446) 19.932 9.246 ( 1.847 -1.847 6.261) 6.784 10.138 ( -7.890 7.890 -4.117) 11.894 10.313 ( -0.974 0.974 -2.131) 2.537 10.325 ( -0.135 0.135 -9.657) 9.659 11.058 ( -0.522 0.522 12.220) 12.242 11.198 ( 4.496 -4.496 -12.759) 14.255 11.356 ( 7.234 -7.234 -0.810) 10.263 12.297 ( -12.618 12.618 -3.355) 18.157 15.366 ( 1.676 -1.676 2.116) 3.178 15.867 ( -2.717 2.717 -1.359) 4.075 15.917 ( -4.745 4.745 -2.346) 7.109 16.080 ( -3.387 3.387 -2.435) 5.373 16.176 ( 5.985 -5.985 5.110) 9.887 16.783 ( 3.413 -3.413 -8.423) 9.708 16.987 ( 3.862 -3.862 -4.470) 7.058 17.269 ( 0.880 -0.880 0.764) 1.460======================= Grid point 103 (47/74) =======================q-point: ( 0.52 -0.15 -0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.517 ( -5.376 5.376 8.805) 11.634 2.032 ( 6.076 -6.076 2.108) 8.847 2.122 ( 1.614 -1.614 -5.413) 5.875 2.306 ( -0.133 0.133 10.695) 10.696 2.472 ( -0.710 0.710 3.932) 4.058 2.586 ( 1.642 -1.642 -5.884) 6.326 2.846 ( -7.044 7.044 5.442) 11.351 3.046 ( 3.288 -3.288 -4.575) 6.524 3.503 ( -2.024 2.024 9.703) 10.117 3.607 ( -4.745 4.745 20.327) 21.406 3.804 ( -9.017 9.017 10.156) 16.303 3.945 ( 5.096 -5.096 1.311) 7.326 4.179 ( 1.161 -1.161 26.128) 26.180 4.409 ( -1.658 1.658 -6.759) 7.155 4.510 ( -9.598 9.598 8.575) 16.055 4.560 ( 4.145 -4.145 5.894) 8.313 4.821 ( 1.457 -1.457 -18.759) 18.872 4.893 ( 1.581 -1.581 -10.380) 10.618 5.146 ( 1.438 -1.438 -7.184) 7.466 5.227 ( -3.266 3.266 -23.131) 23.587 5.381 ( 5.414 -5.414 -2.592) 8.084 7.171 ( -7.951 7.951 1.314) 11.320 7.343 ( -0.574 0.574 18.249) 18.267 7.572 ( 7.336 -7.336 1.504) 10.484 8.046 ( -7.071 7.071 23.176) 25.241 8.761 ( -2.677 2.677 10.756) 11.403 8.936 ( 4.607 -4.607 -10.424) 12.293 9.424 ( 9.077 -9.077 7.346) 14.790 9.433 ( 2.963 -2.963 -2.085) 4.681 9.637 ( -3.818 3.818 -19.168) 19.914 9.641 ( 8.167 -8.167 3.096) 11.957 10.133 ( -0.911 0.911 3.736) 3.952 10.370 ( 1.355 -1.355 -7.460) 7.702 10.987 ( -5.122 5.122 10.078) 12.411 11.184 ( -6.808 6.808 1.173) 9.699 11.552 ( 2.858 -2.858 3.933) 5.640 11.934 ( 5.088 -5.088 -15.155) 16.776 15.504 ( -1.559 1.559 -0.861) 2.367 15.644 ( 2.916 -2.916 2.143) 4.647 15.691 ( 2.694 -2.694 0.633) 3.862 15.899 ( 3.091 -3.091 0.223) 4.377 16.627 ( -2.403 2.403 5.639) 6.584 16.799 ( -2.713 2.713 11.501) 12.125 16.950 ( -4.200 4.200 -15.018) 16.150 17.486 ( -1.104 1.104 -13.700) 13.789======================= Grid point 106 (48/74) =======================q-point: ( 0.17 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.738 ( 0.000 19.341 0.000) 19.341 1.322 ( 0.000 28.871 0.000) 28.871 1.942 ( 0.000 42.033 0.000) 42.033 2.121 ( -0.000 -1.150 -0.000) 1.150 2.196 ( -0.000 -6.017 -0.000) 6.017 2.652 ( -0.000 -7.687 -0.000) 7.687 2.702 ( 0.000 3.651 0.000) 3.651 2.798 ( 0.000 6.175 0.000) 6.175 3.286 ( -0.000 -6.417 -0.000) 6.417 3.324 ( 0.000 5.781 0.000) 5.781 3.361 ( -0.000 -5.467 -0.000) 5.467 3.450 ( -0.000 -6.397 -0.000) 6.397 3.824 ( 0.000 17.052 0.000) 17.052 4.043 ( -0.000 -14.557 -0.000) 14.557 4.417 ( -0.000 -2.319 -0.000) 2.319 4.494 ( -0.000 -2.834 -0.000) 2.834 5.204 ( -0.000 -11.235 -0.000) 11.235 5.223 ( 0.000 1.367 0.000) 1.367 5.228 ( 0.000 8.568 0.000) 8.568 5.509 ( 0.000 12.336 0.000) 12.336 6.236 ( -0.000 -7.177 -0.000) 7.177 6.779 ( -0.000 -8.309 -0.000) 8.309 6.872 ( -0.000 -8.811 -0.000) 8.811 7.150 ( 0.000 11.180 0.000) 11.180 7.664 ( -0.000 -31.977 -0.000) 31.977 8.043 ( 0.000 14.294 0.000) 14.294 8.539 ( 0.000 1.394 0.000) 1.394 9.721 ( -0.000 -11.116 -0.000) 11.116 9.799 ( 0.000 5.454 0.000) 5.454 9.828 ( -0.000 -14.009 -0.000) 14.009 9.864 ( 0.000 9.744 0.000) 9.744 10.072 ( -0.000 -14.813 -0.000) 14.813 10.107 ( 0.000 11.734 0.000) 11.734 10.680 ( -0.000 -0.651 -0.000) 0.651 11.158 ( 0.000 13.838 0.000) 13.838 11.320 ( 0.000 15.555 0.000) 15.555 12.665 ( -0.000 -13.222 -0.000) 13.222 15.535 ( 0.000 3.071 0.000) 3.071 15.570 ( -0.000 -6.706 -0.000) 6.706 15.801 ( 0.000 1.860 0.000) 1.860 16.103 ( 0.000 2.662 0.000) 2.662 16.241 ( -0.000 -4.191 -0.000) 4.191 16.548 ( 0.000 8.076 0.000) 8.076 17.576 ( -0.000 -6.894 -0.000) 6.894 18.192 ( -0.000 -9.364 -0.000) 9.364======================= Grid point 107 (49/74) =======================q-point: (-0.33 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 0.000 -9.575 -16.064) 18.701 1.707 ( -0.000 -17.662 -14.978) 23.158 2.264 ( 0.000 4.809 3.247) 5.802 2.491 ( 0.000 16.783 -5.911) 17.793 2.642 ( 0.000 3.128 2.209) 3.829 2.818 ( 0.000 8.302 -2.958) 8.814 2.846 ( 0.000 1.380 -10.525) 10.615 3.175 ( -0.000 -10.880 -2.827) 11.241 3.422 ( -0.000 -9.373 2.497) 9.699 3.465 ( 0.000 3.693 2.697) 4.573 3.619 ( -0.000 -14.164 -2.615) 14.404 4.008 ( 0.000 4.114 1.510) 4.382 4.090 ( -0.000 -2.023 11.647) 11.821 4.217 ( 0.000 -3.285 -18.925) 19.208 4.495 ( -0.000 3.178 19.428) 19.686 4.571 ( -0.000 -3.765 21.286) 21.616 4.886 ( 0.000 9.274 0.151) 9.276 4.965 ( 0.000 -0.101 -10.900) 10.900 5.069 ( -0.000 5.302 7.116) 8.874 5.253 ( 0.000 6.067 -28.395) 29.036 5.360 ( -0.000 -9.853 -0.542) 9.868 6.493 ( -0.000 -11.028 11.207) 15.723 7.680 ( 0.000 0.865 -4.276) 4.362 7.732 ( 0.000 -4.650 -5.090) 6.894 8.239 ( 0.000 10.271 -0.361) 10.278 8.863 ( -0.000 2.620 5.072) 5.709 8.941 ( -0.000 0.319 18.386) 18.389 9.031 ( -0.000 -4.734 -0.471) 4.757 9.379 ( -0.000 -3.239 7.447) 8.121 9.662 ( -0.000 4.834 19.059) 19.662 10.158 ( 0.000 1.375 -2.176) 2.574 10.173 ( 0.000 6.158 -5.024) 7.947 10.259 ( 0.000 -1.918 -2.926) 3.498 10.888 ( 0.000 -6.925 -10.699) 12.745 10.910 ( 0.000 -8.288 -14.736) 16.907 11.682 ( -0.000 1.576 25.956) 26.004 12.349 ( 0.000 18.855 -6.769) 20.033 15.394 ( -0.000 -1.606 2.307) 2.810 15.875 ( 0.000 5.381 -3.150) 6.236 15.894 ( 0.000 0.142 -1.685) 1.691 16.103 ( 0.000 0.282 -1.774) 1.796 16.171 ( -0.000 -9.277 4.923) 10.502 16.586 ( 0.000 -1.513 -7.255) 7.411 16.791 ( 0.000 -6.601 -7.968) 10.347 17.372 ( -0.000 2.126 6.472) 6.812======================= Grid point 109 (50/74) =======================q-point: ( 0.17 -0.17 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( -4.349 15.484 0.000) 16.083 1.718 ( -6.793 23.460 0.000) 24.423 2.036 ( -2.724 -4.576 -0.000) 5.325 2.101 ( -9.696 10.666 0.000) 14.414 2.561 ( 5.071 -4.889 -0.000) 7.044 2.624 ( -12.890 3.159 0.000) 13.271 2.855 ( 11.090 13.040 0.000) 17.118 3.076 ( 7.364 11.980 0.000) 14.062 3.077 ( -3.845 -10.819 -0.000) 11.482 3.182 ( -3.201 -4.569 -0.000) 5.578 3.370 ( 4.283 -6.749 -0.000) 7.994 3.412 ( 3.491 9.335 0.000) 9.967 3.804 ( 1.362 -6.349 -0.000) 6.494 4.283 ( 8.990 6.385 -0.000) 11.027 4.291 ( -1.804 2.491 0.000) 3.076 4.555 ( 7.215 -3.763 -0.000) 8.137 4.969 ( 1.783 -12.899 -0.000) 13.022 5.320 ( 4.953 1.872 -0.000) 5.295 5.338 ( -3.178 6.285 0.000) 7.043 5.753 ( -1.078 12.366 0.000) 12.413 5.944 ( -11.533 -8.542 0.000) 14.352 6.387 ( -11.887 -8.343 0.000) 14.523 6.912 ( 12.907 -10.185 -0.000) 16.441 7.066 ( 5.937 -28.692 -0.000) 29.300 7.431 ( 1.149 13.508 0.000) 13.557 8.292 ( -2.688 11.876 0.000) 12.177 8.570 ( -0.245 1.609 0.000) 1.628 9.390 ( -6.032 -13.142 -0.000) 14.461 9.491 ( -1.937 -11.089 -0.000) 11.257 9.804 ( -11.657 11.093 0.000) 16.092 9.923 ( 13.927 -17.482 -0.000) 22.351 10.003 ( -1.614 4.875 0.000) 5.135 10.449 ( 8.959 6.742 -0.000) 11.212 10.674 ( -1.296 1.174 0.000) 1.749 11.457 ( 9.284 8.269 -0.000) 12.433 11.648 ( -6.603 19.623 0.000) 20.704 12.319 ( -3.778 -16.567 -0.000) 16.992 15.455 ( 1.413 -5.701 -0.000) 5.874 15.612 ( -2.488 6.773 0.000) 7.215 15.786 ( -4.683 2.379 0.000) 5.253 16.055 ( -8.552 3.180 0.000) 9.124 16.213 ( 5.773 -5.238 -0.000) 7.795 16.683 ( -2.617 7.559 0.000) 7.999 17.424 ( 1.199 -7.969 -0.000) 8.059 18.048 ( 6.536 -11.471 -0.000) 13.202======================= Grid point 110 (51/74) =======================q-point: ( 0.17 -0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 101Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.165 ( -8.674 8.674 0.000) 12.267 1.965 ( -12.169 12.169 0.000) 17.210 1.972 ( -1.725 1.725 0.000) 2.440 2.098 ( -18.433 18.433 0.000) 26.069 2.448 ( -3.346 3.346 0.000) 4.733 2.617 ( 5.128 -5.128 -0.000) 7.252 2.859 ( 5.621 -5.621 -0.000) 7.950 2.985 ( 1.623 -1.623 -0.000) 2.295 3.095 ( 0.112 -0.112 -0.000) 0.159 3.331 ( -2.923 2.923 0.000) 4.134 3.343 ( 5.135 -5.135 -0.000) 7.263 3.547 ( -1.542 1.542 0.000) 2.181 3.912 ( 2.675 -2.675 -0.000) 3.782 4.235 ( -6.499 6.499 0.000) 9.191 4.554 ( 10.248 -10.248 -0.000) 14.494 4.586 ( 12.863 -12.863 -0.000) 18.192 4.810 ( -0.810 0.810 0.000) 1.145 5.410 ( 2.291 -2.291 -0.000) 3.239 5.420 ( -4.972 4.972 0.000) 7.032 5.614 ( -5.024 5.024 0.000) 7.105 5.932 ( -7.970 7.970 0.000) 11.272 6.100 ( -0.327 0.327 0.000) 0.462 6.800 ( 19.282 -19.282 -0.000) 27.268 6.968 ( 10.769 -10.769 -0.000) 15.229 7.612 ( -6.851 6.851 0.000) 9.688 8.388 ( -7.401 7.401 0.000) 10.467 8.585 ( -1.039 1.039 0.000) 1.469 9.160 ( 3.944 -3.944 -0.000) 5.577 9.351 ( 5.085 -5.085 -0.000) 7.191 9.797 ( -13.209 13.209 0.000) 18.680 9.888 ( 17.163 -17.163 -0.000) 24.272 10.035 ( -1.840 1.840 0.000) 2.602 10.616 ( 1.476 -1.476 -0.000) 2.087 10.672 ( -1.961 1.961 0.000) 2.773 11.775 ( -14.718 14.718 0.000) 20.814 11.819 ( 4.398 -4.398 -0.000) 6.220 11.935 ( 4.406 -4.406 -0.000) 6.231 15.410 ( 3.552 -3.552 -0.000) 5.023 15.670 ( -7.136 7.136 0.000) 10.092 15.756 ( -3.831 3.831 0.000) 5.417 15.979 ( -5.478 5.478 0.000) 7.747 16.224 ( 6.106 -6.106 -0.000) 8.635 16.734 ( -5.400 5.400 0.000) 7.636 17.349 ( 5.138 -5.138 -0.000) 7.266 17.997 ( 9.970 -9.970 -0.000) 14.099======================= Grid point 113 (52/74) =======================q-point: ( 0.67 -0.17 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.702 ( 0.000 -7.614 -0.000) 7.614 2.009 ( 0.000 1.524 0.000) 1.524 2.035 ( -0.000 -1.630 -0.000) 1.630 2.270 ( 0.000 -4.883 -0.000) 4.883 2.483 ( 0.000 -1.052 -0.000) 1.052 2.715 ( -0.000 6.006 0.000) 6.006 2.888 ( 0.000 -9.619 0.000) 9.619 2.984 ( -0.000 -0.473 -0.000) 0.473 3.555 ( 0.000 10.073 -0.000) 10.073 3.901 ( 0.000 -2.955 0.000) 2.955 4.110 ( -0.000 11.033 0.000) 11.033 4.143 ( 0.000 8.787 -0.000) 8.787 4.212 ( 0.000 4.308 -0.000) 4.308 4.375 ( 0.000 -0.307 -0.000) 0.307 4.648 ( 0.000 1.587 0.000) 1.587 4.679 ( -0.000 -4.879 0.000) 4.879 4.702 ( 0.000 -0.620 0.000) 0.620 4.734 ( 0.000 -4.725 -0.000) 4.725 4.856 ( -0.000 1.882 -0.000) 1.882 4.969 ( 0.000 2.307 -0.000) 2.307 5.328 ( 0.000 -11.128 -0.000) 11.128 7.348 ( -0.000 6.725 -0.000) 6.725 7.394 ( 0.000 4.764 -0.000) 4.764 7.625 ( 0.000 -5.521 0.000) 5.521 8.453 ( 0.000 11.405 0.000) 11.405 8.598 ( 0.000 -3.175 -0.000) 3.175 9.123 ( -0.000 3.174 0.000) 3.174 9.277 ( 0.000 -7.326 -0.000) 7.326 9.372 ( 0.000 3.421 -0.000) 3.421 9.442 ( 0.000 -3.476 -0.000) 3.476 9.569 ( -0.000 -5.906 -0.000) 5.906 10.203 ( 0.000 0.901 -0.000) 0.901 10.257 ( 0.000 -3.370 -0.000) 3.370 11.173 ( 0.000 0.032 -0.000) 0.032 11.380 ( 0.000 1.481 -0.000) 1.481 11.432 ( -0.000 -3.441 0.000) 3.441 11.716 ( 0.000 2.490 -0.000) 2.490 15.520 ( -0.000 0.727 -0.000) 0.727 15.614 ( 0.000 0.434 -0.000) 0.434 15.682 ( 0.000 -5.337 -0.000) 5.337 15.872 ( 0.000 -5.179 -0.000) 5.179 16.757 ( -0.000 5.702 -0.000) 5.702 16.781 ( 0.000 3.800 0.000) 3.800 17.058 ( 0.000 1.681 -0.000) 1.681 17.262 ( -0.000 -0.369 0.000) 0.369======================= Grid point 121 (53/74) =======================q-point: ( 0.31 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.442 ( -0.000 14.768 26.893) 30.681 1.803 ( 0.000 15.879 1.297) 15.932 2.218 ( -0.000 5.695 6.578) 8.700 2.319 ( -0.000 5.185 12.803) 13.813 2.441 ( 0.000 -5.524 -5.961) 8.127 2.627 ( 0.000 20.612 -2.234) 20.733 2.749 ( 0.000 3.287 -5.679) 6.562 2.942 ( 0.000 10.375 -1.397) 10.469 3.196 ( -0.000 -11.259 3.638) 11.832 3.274 ( -0.000 -2.576 3.156) 4.074 3.328 ( -0.000 -2.590 7.974) 8.384 3.467 ( -0.000 -3.355 6.470) 7.288 3.860 ( -0.000 -5.739 3.648) 6.800 4.069 ( 0.000 5.643 -1.106) 5.750 4.425 ( -0.000 1.263 2.240) 2.571 4.439 ( 0.000 0.026 -1.674) 1.674 4.919 ( -0.000 -13.156 -2.357) 13.366 5.257 ( 0.000 2.369 -2.513) 3.454 5.354 ( 0.000 5.950 -1.901) 6.246 5.747 ( 0.000 8.537 -2.989) 9.045 6.025 ( 0.000 -1.245 -4.761) 4.921 6.741 ( -0.000 -11.711 8.689) 14.583 6.766 ( -0.000 -7.281 14.547) 16.267 7.040 ( -0.000 -30.097 4.248) 30.395 7.419 ( 0.000 15.765 0.239) 15.766 8.390 ( 0.000 12.193 7.125) 14.122 8.739 ( -0.000 -3.288 15.979) 16.313 9.485 ( -0.000 -13.447 1.909) 13.582 9.493 ( -0.000 -13.457 -5.207) 14.430 9.641 ( -0.000 -15.532 -8.684) 17.795 9.938 ( 0.000 7.485 0.429) 7.497 10.082 ( 0.000 9.614 0.520) 9.628 10.389 ( -0.000 5.706 8.721) 10.422 10.652 ( 0.000 0.397 -3.693) 3.715 11.324 ( 0.000 6.407 -2.560) 6.900 11.716 ( 0.000 21.439 -0.589) 21.447 12.290 ( -0.000 -16.540 -6.788) 17.879 15.450 ( -0.000 -5.881 0.872) 5.945 15.635 ( 0.000 7.302 -0.360) 7.311 15.849 ( 0.000 2.088 0.604) 2.173 16.153 ( 0.000 2.799 -0.928) 2.949 16.168 ( -0.000 -5.314 2.467) 5.859 16.736 ( 0.000 7.666 2.765) 8.149 17.340 ( -0.000 -8.508 -7.450) 11.309 17.840 ( 0.000 -8.734 -11.687) 14.590======================= Grid point 122 (54/74) =======================q-point: (-0.19 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.143 ( 0.000 0.000 -19.294) 19.294 1.143 ( 0.000 0.000 -19.294) 19.294 2.329 ( 0.000 0.000 -9.467) 9.467 2.507 ( 0.000 0.000 -9.487) 9.487 2.665 ( 0.000 0.000 -7.228) 7.228 2.707 ( -0.000 -0.000 0.405) 0.405 2.958 ( 0.000 0.000 -1.656) 1.656 2.958 ( 0.000 0.000 -1.656) 1.656 3.130 ( 0.000 0.000 -3.470) 3.470 3.526 ( 0.000 0.000 -0.205) 0.205 3.526 ( 0.000 0.000 -0.205) 0.205 3.607 ( 0.000 0.000 -28.570) 28.570 4.263 ( -0.000 -0.000 9.469) 9.469 4.263 ( -0.000 -0.000 9.469) 9.469 4.729 ( 0.000 0.000 -9.835) 9.835 4.781 ( 0.000 0.000 -25.356) 25.356 4.891 ( -0.000 -0.000 16.129) 16.129 4.891 ( -0.000 -0.000 16.129) 16.129 4.976 ( 0.000 0.000 -8.995) 8.995 5.266 ( -0.000 -0.000 6.802) 6.802 5.266 ( -0.000 -0.000 6.802) 6.802 6.597 ( -0.000 -0.000 10.311) 10.311 7.457 ( 0.000 0.000 -14.208) 14.208 7.457 ( 0.000 0.000 -14.208) 14.208 8.417 ( -0.000 -0.000 2.859) 2.859 8.573 ( 0.000 0.000 -23.002) 23.002 9.326 ( -0.000 -0.000 18.518) 18.518 9.326 ( -0.000 -0.000 18.518) 18.518 9.504 ( -0.000 -0.000 7.151) 7.151 10.112 ( -0.000 -0.000 19.316) 19.316 10.129 ( 0.000 0.000 -5.554) 5.554 10.129 ( 0.000 0.000 -5.554) 5.554 10.239 ( -0.000 -0.000 5.825) 5.825 10.560 ( 0.000 0.000 -11.283) 11.283 10.560 ( 0.000 0.000 -11.283) 11.283 12.202 ( -0.000 -0.000 24.019) 24.019 12.483 ( 0.000 0.000 -5.207) 5.207 15.423 ( -0.000 -0.000 2.187) 2.187 15.852 ( 0.000 0.000 -2.452) 2.452 15.852 ( 0.000 0.000 -2.452) 2.452 16.076 ( 0.000 0.000 -1.206) 1.206 16.076 ( 0.000 0.000 -1.206) 1.206 16.445 ( 0.000 0.000 -5.136) 5.136 16.589 ( 0.000 0.000 -6.284) 6.284 17.517 ( -0.000 -0.000 6.093) 6.093======================= Grid point 124 (55/74) =======================q-point: ( 0.31 -0.19 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 288Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( -9.134 10.014 22.831) 26.551 2.085 ( -2.086 13.201 1.013) 13.403 2.206 ( 0.301 5.131 13.367) 14.321 2.433 ( -12.861 17.075 -2.566) 21.530 2.450 ( 2.544 -0.405 -1.669) 3.070 2.605 ( -10.042 -4.318 -1.076) 10.984 2.845 ( 4.248 -2.649 -9.043) 10.336 2.912 ( -3.447 -11.324 7.636) 14.086 3.077 ( -0.180 1.264 -0.534) 1.384 3.272 ( 1.085 0.676 1.648) 2.086 3.389 ( 4.097 1.028 9.903) 10.766 3.666 ( 5.371 7.190 4.930) 10.239 3.769 ( 4.857 -0.573 2.915) 5.694 4.234 ( 13.887 -7.018 -2.389) 15.742 4.388 ( 4.588 -11.188 -1.673) 12.207 4.414 ( -8.091 4.615 -0.121) 9.315 4.817 ( 1.717 1.342 -0.219) 2.190 5.336 ( 1.786 1.809 -5.004) 5.612 5.439 ( -0.255 4.801 -1.664) 5.087 5.687 ( -7.389 -4.525 -7.508) 11.464 6.069 ( -4.151 9.578 2.334) 10.697 6.360 ( -2.195 -11.168 12.854) 17.169 6.557 ( 6.707 -19.014 9.784) 22.410 6.840 ( 10.983 -9.646 12.301) 19.105 7.729 ( -2.402 13.767 2.022) 14.120 8.569 ( -3.783 8.699 6.612) 11.563 8.701 ( -0.714 -0.126 9.548) 9.576 9.138 ( -2.553 -10.321 -1.684) 10.765 9.250 ( 1.462 -9.145 -1.700) 9.415 9.502 ( 13.312 -15.977 -6.364) 21.748 10.030 ( -8.871 11.628 -0.505) 14.634 10.154 ( -4.633 4.329 4.825) 7.968 10.574 ( 6.120 1.109 4.332) 7.579 10.659 ( -1.375 1.519 -5.065) 5.464 11.546 ( 10.189 4.589 -4.698) 12.122 11.921 ( -2.607 -15.843 -5.691) 17.035 12.032 ( -8.584 16.821 0.221) 18.886 15.364 ( 1.730 -4.028 0.831) 4.462 15.791 ( -4.010 10.751 -0.561) 11.488 15.837 ( -4.053 2.509 0.181) 4.770 16.106 ( -6.800 2.507 -1.240) 7.353 16.132 ( 4.439 -4.778 2.296) 6.914 16.846 ( -2.812 5.686 2.698) 6.893 17.200 ( 3.267 -7.427 -5.879) 10.019 17.716 ( 9.189 -12.345 -7.266) 17.018======================= Grid point 127 (56/74) =======================q-point: (-0.19 -0.19 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.624 ( 0.000 0.000 0.343) 0.343 1.905 ( -0.000 -0.000 -6.354) 6.354 2.131 ( 0.000 0.000 3.228) 3.228 2.240 ( 0.000 0.000 3.455) 3.455 2.469 ( 0.000 0.000 -19.439) 19.439 2.549 ( 0.000 0.000 6.522) 6.522 2.961 ( 0.000 0.000 -1.104) 1.104 2.970 ( -0.000 -0.000 7.178) 7.178 3.631 ( 0.000 0.000 -3.910) 3.910 3.744 ( 0.000 0.000 -24.344) 24.344 3.767 ( -0.000 -0.000 -15.817) 15.817 4.095 ( -0.000 -0.000 -12.089) 12.089 4.187 ( -0.000 -0.000 -16.725) 16.725 4.285 ( 0.000 0.000 -10.475) 10.475 4.550 ( 0.000 0.000 10.231) 10.231 4.772 ( -0.000 -0.000 20.750) 20.750 4.803 ( 0.000 0.000 6.812) 6.812 4.930 ( -0.000 -0.000 2.998) 2.998 5.070 ( 0.000 0.000 1.007) 1.007 5.119 ( 0.000 0.000 7.965) 7.965 5.305 ( 0.000 0.000 22.126) 22.126 7.246 ( 0.000 0.000 -25.443) 25.443 7.403 ( 0.000 0.000 -2.560) 2.560 7.478 ( 0.000 0.000 1.112) 1.112 8.243 ( 0.000 0.000 -28.818) 28.818 8.779 ( -0.000 -0.000 17.005) 17.005 8.898 ( 0.000 0.000 -18.578) 18.578 9.198 ( 0.000 0.000 -7.454) 7.454 9.283 ( 0.000 0.000 0.109) 0.109 9.502 ( 0.000 0.000 -0.095) 0.095 9.731 ( 0.000 0.000 16.873) 16.873 10.156 ( 0.000 0.000 -3.067) 3.067 10.314 ( 0.000 0.000 7.473) 7.473 11.099 ( 0.000 0.000 -7.107) 7.107 11.329 ( 0.000 0.000 -1.478) 1.478 11.543 ( 0.000 0.000 9.245) 9.245 11.802 ( 0.000 0.000 5.321) 5.321 15.535 ( -0.000 -0.000 0.098) 0.098 15.592 ( 0.000 0.000 -1.741) 1.741 15.633 ( 0.000 0.000 0.255) 0.255 15.821 ( 0.000 0.000 0.435) 0.435 16.679 ( 0.000 0.000 -5.933) 5.933 16.859 ( 0.000 0.000 -13.128) 13.128 17.004 ( 0.000 0.000 10.641) 10.641 17.522 ( 0.000 0.000 17.644) 17.644======================= Grid point 134 (57/74) =======================q-point: ( 0.46 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 176Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.069 ( 0.000 11.195 -2.725) 11.522 2.168 ( -0.000 9.950 18.435) 20.949 2.261 ( 0.000 -0.253 -4.211) 4.218 2.477 ( 0.000 1.396 -8.334) 8.450 2.523 ( 0.000 -10.332 -11.503) 15.461 2.572 ( -0.000 9.104 10.786) 14.114 2.884 ( -0.000 8.115 14.739) 16.825 3.040 ( 0.000 0.614 -1.291) 1.430 3.147 ( -0.000 -6.024 10.651) 12.237 3.383 ( -0.000 -2.804 2.065) 3.483 3.552 ( -0.000 1.680 13.237) 13.344 3.591 ( -0.000 4.566 10.397) 11.355 3.935 ( -0.000 -0.157 9.292) 9.293 4.015 ( -0.000 -4.207 -2.662) 4.979 4.273 ( -0.000 -15.242 -3.189) 15.572 4.563 ( 0.000 7.153 3.256) 7.859 4.778 ( 0.000 3.381 1.098) 3.555 5.117 ( 0.000 0.327 -15.742) 15.745 5.378 ( 0.000 3.006 -5.946) 6.663 5.619 ( 0.000 -5.551 -6.620) 8.639 6.014 ( 0.000 9.178 -13.539) 16.357 6.467 ( -0.000 -24.864 7.964) 26.108 7.045 ( -0.000 -3.625 25.454) 25.711 7.076 ( -0.000 -4.257 29.022) 29.333 7.799 ( 0.000 17.362 3.847) 17.784 8.776 ( -0.000 7.291 10.223) 12.557 8.949 ( -0.000 -4.264 13.324) 13.990 9.126 ( -0.000 -10.593 -4.631) 11.562 9.144 ( -0.000 -12.828 -11.335) 17.119 9.289 ( -0.000 -11.532 4.651) 12.434 10.126 ( 0.000 10.271 -0.742) 10.298 10.236 ( 0.000 6.899 -2.260) 7.260 10.536 ( 0.000 -0.076 -8.598) 8.599 10.691 ( -0.000 1.340 16.402) 16.457 11.315 ( 0.000 1.868 -7.369) 7.602 11.778 ( -0.000 -16.223 -11.061) 19.636 12.116 ( 0.000 19.470 -1.280) 19.512 15.372 ( -0.000 -4.119 1.631) 4.430 15.804 ( 0.000 10.639 -1.690) 10.773 15.898 ( 0.000 1.546 0.362) 1.588 16.121 ( -0.000 -5.761 4.119) 7.082 16.170 ( 0.000 1.907 -2.247) 2.947 16.940 ( 0.000 4.798 3.924) 6.198 17.009 ( 0.000 -6.088 -9.732) 11.480 17.446 ( -0.000 -9.608 -9.316) 13.383======================= Grid point 137 (58/74) =======================q-point: ( 0.46 -0.21 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 171Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.142 ( -0.735 0.735 0.708) 1.257 2.227 ( -2.665 2.665 -3.080) 4.868 2.291 ( -6.875 6.875 3.279) 10.261 2.387 ( 7.151 -7.151 -7.245) 12.440 2.632 ( -5.841 5.841 -0.247) 8.265 2.663 ( -13.280 13.280 -6.187) 19.774 2.856 ( 1.425 -1.425 24.441) 24.524 2.912 ( 4.289 -4.289 11.439) 12.948 3.236 ( -0.244 0.244 -4.412) 4.425 3.282 ( -4.800 4.800 9.658) 11.805 3.590 ( 5.886 -5.886 10.296) 13.240 3.816 ( 1.702 -1.702 3.750) 4.456 3.876 ( 0.828 -0.828 6.793) 6.893 3.959 ( 8.566 -8.566 -1.363) 12.191 4.073 ( 8.906 -8.906 1.096) 12.642 4.628 ( -9.885 9.885 2.092) 14.135 4.887 ( -1.120 1.120 2.437) 2.907 5.127 ( 0.267 -0.267 -17.420) 17.424 5.449 ( 2.303 -2.303 -1.580) 3.620 5.455 ( -1.361 1.361 -11.655) 11.813 6.115 ( -5.490 5.490 -13.961) 15.975 6.196 ( 13.989 -13.989 9.779) 22.069 6.937 ( -1.791 1.791 30.893) 30.996 7.101 ( 5.818 -5.818 29.143) 30.282 8.022 ( -7.592 7.592 4.585) 11.675 8.835 ( 1.068 -1.068 -0.603) 1.626 8.895 ( -3.762 3.762 13.469) 14.482 8.951 ( 2.601 -2.601 3.080) 4.797 9.080 ( 10.783 -10.783 -7.869) 17.160 9.143 ( 3.217 -3.217 4.160) 6.165 10.213 ( -8.900 8.900 -3.378) 13.033 10.324 ( -3.201 3.201 2.004) 4.951 10.527 ( -0.566 0.566 -10.286) 10.317 10.720 ( 2.226 -2.226 15.514) 15.830 11.429 ( 3.591 -3.591 -10.733) 11.874 11.511 ( 6.598 -6.598 -9.255) 13.142 12.325 ( -10.870 10.870 0.099) 15.372 15.329 ( 1.897 -1.897 1.694) 3.173 15.882 ( -2.456 2.456 -0.360) 3.492 15.959 ( -5.031 5.031 -1.964) 7.382 16.099 ( 2.538 -2.538 3.077) 4.728 16.131 ( -3.861 3.861 -2.678) 6.082 16.945 ( 4.042 -4.042 -8.003) 9.835 16.988 ( -1.421 1.421 2.794) 3.441 17.344 ( 8.261 -8.261 -6.682) 13.459======================= Grid point 147 (59/74) =======================q-point: (-0.40 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 0.000 -5.422 -14.952) 15.905 1.998 ( 0.000 -13.210 -15.067) 20.038 2.236 ( 0.000 3.302 -0.337) 3.319 2.560 ( -0.000 4.742 6.267) 7.858 2.594 ( 0.000 19.902 -4.664) 20.441 2.875 ( 0.000 10.010 -1.878) 10.184 2.990 ( 0.000 0.562 -4.604) 4.638 3.216 ( -0.000 -8.912 0.976) 8.965 3.267 ( -0.000 -2.860 14.095) 14.383 3.345 ( -0.000 -0.941 9.276) 9.323 3.634 ( -0.000 -19.925 2.340) 20.062 3.863 ( -0.000 1.321 10.056) 10.142 3.880 ( -0.000 0.213 3.898) 3.903 4.147 ( -0.000 0.507 13.800) 13.809 4.184 ( -0.000 -1.588 17.509) 17.581 4.710 ( 0.000 -0.827 -24.505) 24.519 4.824 ( 0.000 11.226 3.850) 11.868 4.946 ( -0.000 4.576 5.442) 7.110 5.217 ( 0.000 0.148 -13.230) 13.231 5.387 ( -0.000 -8.865 -2.564) 9.228 5.788 ( 0.000 5.835 -24.867) 25.542 6.269 ( -0.000 -13.151 11.857) 17.706 7.526 ( -0.000 1.289 20.679) 20.719 7.564 ( -0.000 -2.363 22.573) 22.697 8.189 ( 0.000 9.384 5.366) 10.809 8.768 ( -0.000 -2.552 -2.184) 3.360 8.787 ( -0.000 -4.413 -3.030) 5.353 9.055 ( -0.000 -3.966 3.988) 5.625 9.238 ( -0.000 -4.285 7.008) 8.215 9.275 ( -0.000 2.766 19.722) 19.915 10.256 ( 0.000 3.233 -6.913) 7.632 10.262 ( 0.000 6.684 -4.001) 7.790 10.352 ( 0.000 -1.191 -7.023) 7.124 11.078 ( -0.000 0.954 12.044) 12.082 11.120 ( 0.000 -1.689 -12.516) 12.630 11.291 ( -0.000 -10.920 -0.519) 10.932 12.431 ( 0.000 14.329 -1.983) 14.466 15.349 ( -0.000 -1.856 2.256) 2.922 15.917 ( 0.000 0.605 -0.699) 0.925 15.930 ( 0.000 3.655 -2.382) 4.363 16.107 ( -0.000 -0.815 1.947) 2.111 16.147 ( 0.000 0.745 -2.724) 2.824 16.739 ( 0.000 -2.766 -8.435) 8.876 16.933 ( -0.000 -6.477 -6.110) 8.904 17.266 ( -0.000 0.457 3.871) 3.898======================= Grid point 160 (60/74) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.507 ( 0.000 0.000 -18.506) 18.506 1.507 ( 0.000 0.000 -18.506) 18.506 2.320 ( -0.000 -0.000 3.353) 3.353 2.683 ( -0.000 -0.000 2.241) 2.241 2.710 ( 0.000 0.000 -11.545) 11.545 2.919 ( 0.000 0.000 -13.104) 13.104 2.987 ( 0.000 0.000 -1.070) 1.070 2.987 ( 0.000 0.000 -1.070) 1.070 3.170 ( 0.000 0.000 -1.403) 1.403 3.498 ( -0.000 -0.000 4.025) 4.025 3.498 ( -0.000 -0.000 4.025) 4.025 4.063 ( -0.000 -0.000 10.877) 10.877 4.063 ( -0.000 -0.000 10.877) 10.877 4.175 ( 0.000 0.000 -29.158) 29.158 4.531 ( -0.000 -0.000 20.206) 20.206 4.531 ( -0.000 -0.000 20.206) 20.206 4.952 ( 0.000 0.000 -13.056) 13.056 5.124 ( -0.000 -0.000 7.461) 7.461 5.124 ( -0.000 -0.000 7.461) 7.461 5.130 ( 0.000 0.000 -7.246) 7.246 5.321 ( 0.000 0.000 -29.009) 29.009 6.378 ( -0.000 -0.000 12.308) 12.308 7.680 ( 0.000 0.000 -5.790) 5.790 7.680 ( 0.000 0.000 -5.790) 5.790 8.356 ( -0.000 -0.000 3.487) 3.487 8.932 ( 0.000 0.000 -12.318) 12.318 8.939 ( -0.000 -0.000 18.827) 18.827 8.939 ( -0.000 -0.000 18.827) 18.827 9.356 ( -0.000 -0.000 8.020) 8.020 9.714 ( -0.000 -0.000 21.576) 21.576 10.177 ( 0.000 0.000 -0.876) 0.876 10.235 ( 0.000 0.000 -5.363) 5.363 10.235 ( 0.000 0.000 -5.363) 5.363 10.817 ( 0.000 0.000 -14.708) 14.708 10.817 ( 0.000 0.000 -14.708) 14.708 11.697 ( -0.000 -0.000 27.895) 27.895 12.561 ( 0.000 0.000 -2.671) 2.671 15.378 ( -0.000 -0.000 2.462) 2.462 15.896 ( 0.000 0.000 -1.947) 1.947 15.896 ( 0.000 0.000 -1.947) 1.947 16.106 ( 0.000 0.000 -2.040) 2.040 16.106 ( 0.000 0.000 -2.040) 2.040 16.561 ( 0.000 0.000 -6.887) 6.887 16.717 ( 0.000 0.000 -6.932) 6.932 17.394 ( -0.000 -0.000 6.512) 6.512======================= Grid point 161 (61/74) =======================q-point: ( 0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.129 ( 0.000 19.141 0.000) 19.141 1.790 ( 0.000 17.216 0.000) 17.216 2.064 ( -0.000 -6.741 -0.000) 6.741 2.273 ( 0.000 17.389 0.000) 17.389 2.504 ( -0.000 -6.698 -0.000) 6.698 2.650 ( 0.000 25.968 0.000) 25.968 2.817 ( 0.000 6.835 0.000) 6.835 2.958 ( 0.000 9.175 0.000) 9.175 3.126 ( -0.000 -10.629 -0.000) 10.629 3.239 ( -0.000 -6.246 -0.000) 6.246 3.293 ( -0.000 -7.740 -0.000) 7.740 3.384 ( 0.000 0.205 0.000) 0.205 3.825 ( -0.000 -5.704 -0.000) 5.704 4.080 ( 0.000 6.465 0.000) 6.465 4.406 ( 0.000 2.172 0.000) 2.172 4.456 ( -0.000 -0.344 -0.000) 0.344 4.943 ( -0.000 -13.561 -0.000) 13.561 5.268 ( 0.000 3.176 0.000) 3.176 5.372 ( 0.000 5.719 0.000) 5.719 5.764 ( 0.000 12.360 0.000) 12.360 6.067 ( -0.000 -9.296 -0.000) 9.296 6.628 ( -0.000 -6.576 -0.000) 6.576 6.659 ( -0.000 -12.519 -0.000) 12.519 7.001 ( -0.000 -32.453 -0.000) 32.453 7.417 ( 0.000 15.016 0.000) 15.016 8.321 ( 0.000 12.919 0.000) 12.919 8.573 ( 0.000 1.865 0.000) 1.865 9.466 ( -0.000 -13.750 -0.000) 13.750 9.543 ( -0.000 -14.180 -0.000) 14.180 9.737 ( -0.000 -17.726 -0.000) 17.726 9.921 ( 0.000 6.431 0.000) 6.431 10.076 ( 0.000 10.813 0.000) 10.813 10.305 ( 0.000 7.765 0.000) 7.765 10.687 ( 0.000 1.313 0.000) 1.313 11.352 ( 0.000 7.510 0.000) 7.510 11.720 ( 0.000 21.176 0.000) 21.176 12.356 ( -0.000 -16.971 -0.000) 16.971 15.441 ( -0.000 -5.912 -0.000) 5.912 15.638 ( 0.000 7.488 0.000) 7.488 15.843 ( 0.000 2.240 0.000) 2.240 16.144 ( -0.000 -5.197 -0.000) 5.197 16.162 ( 0.000 3.080 0.000) 3.080 16.710 ( 0.000 7.713 0.000) 7.713 17.410 ( -0.000 -9.189 -0.000) 9.189 17.966 ( -0.000 -12.916 -0.000) 12.916======================= Grid point 162 (62/74) =======================q-point: ( 0.25 -0.25 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 162Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.357 ( -9.952 12.053 0.000) 15.630 1.987 ( 1.436 -0.173 -0.000) 1.446 2.114 ( -2.162 18.730 0.000) 18.855 2.468 ( -17.634 21.614 0.000) 27.895 2.468 ( 7.388 -4.461 -0.000) 8.630 2.648 ( -15.806 -1.362 0.000) 15.864 2.825 ( -1.162 -13.364 -0.000) 13.414 2.963 ( 0.991 1.694 0.000) 1.963 3.104 ( -0.945 -3.057 -0.000) 3.200 3.237 ( 5.095 -6.108 -0.000) 7.954 3.265 ( 7.927 7.115 -0.000) 10.652 3.614 ( -0.714 5.016 0.000) 5.066 3.746 ( 8.377 2.258 -0.000) 8.676 4.256 ( 14.601 -7.191 -0.000) 16.276 4.400 ( -3.391 1.740 0.000) 3.812 4.427 ( -0.786 -6.872 -0.000) 6.917 4.823 ( 1.226 1.207 -0.000) 1.721 5.368 ( 1.665 2.879 0.000) 3.325 5.453 ( -0.366 4.604 0.000) 4.618 5.786 ( -8.389 -6.471 0.000) 10.594 5.985 ( -0.113 10.088 0.000) 10.089 6.228 ( -8.577 -7.766 0.000) 11.571 6.478 ( 10.678 -24.706 -0.000) 26.915 6.736 ( 11.814 -9.970 -0.000) 15.459 7.709 ( -2.682 13.286 0.000) 13.554 8.508 ( -4.243 9.189 0.000) 10.121 8.603 ( -0.706 1.610 0.000) 1.758 9.143 ( -2.165 -10.534 -0.000) 10.754 9.278 ( 1.973 -9.562 -0.000) 9.763 9.567 ( 13.837 -17.054 -0.000) 21.961 10.023 ( -4.677 9.243 0.000) 10.359 10.107 ( -9.193 6.218 0.000) 11.099 10.538 ( 6.096 2.093 -0.000) 6.446 10.709 ( -1.455 2.104 0.000) 2.558 11.592 ( 10.337 5.308 -0.000) 11.621 11.976 ( -3.106 -15.708 -0.000) 16.012 12.028 ( -8.427 16.009 0.000) 18.091 15.356 ( 1.813 -4.077 -0.000) 4.462 15.797 ( -4.482 11.264 0.000) 12.123 15.835 ( -3.880 2.486 0.000) 4.608 16.107 ( 5.205 -5.089 -0.000) 7.280 16.122 ( -7.944 3.299 0.000) 8.601 16.819 ( -2.922 5.803 0.000) 6.497 17.259 ( 3.427 -7.929 -0.000) 8.638 17.789 ( 9.544 -13.924 -0.000) 16.881======================= Grid point 167 (63/74) =======================q-point: (-0.25 -0.25 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.621 ( 0.000 0.000 0.000) 0.000 2.028 ( 0.000 0.000 -6.285) 6.285 2.028 ( 0.000 0.000 6.285) 6.285 2.202 ( 0.000 0.000 0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 -12.705) 12.705 2.783 ( -0.000 -0.000 12.705) 12.705 2.969 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 -0.000) 0.000 4.239 ( 0.000 0.000 -24.403) 24.403 4.239 ( 0.000 0.000 24.403) 24.403 4.289 ( -0.000 -0.000 0.000) 0.000 4.374 ( -0.000 -0.000 -0.000) 0.000 4.576 ( 0.000 0.000 -10.855) 10.855 4.576 ( 0.000 0.000 10.855) 10.855 4.702 ( 0.000 0.000 -0.000) 0.000 4.725 ( -0.000 -0.000 0.000) 0.000 4.994 ( -0.000 -0.000 -5.498) 5.498 4.994 ( 0.000 0.000 5.498) 5.498 5.127 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 -2.004) 2.004 7.447 ( 0.000 0.000 2.004) 2.004 7.543 ( -0.000 -0.000 -0.000) 0.000 8.566 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 9.184 ( -0.000 -0.000 -9.148) 9.148 9.184 ( 0.000 0.000 9.148) 9.148 9.282 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 10.211 ( 0.000 0.000 -3.318) 3.318 10.211 ( 0.000 0.000 3.318) 3.318 11.175 ( 0.000 0.000 0.000) 0.000 11.395 ( 0.000 0.000 -5.655) 5.655 11.395 ( 0.000 0.000 5.655) 5.655 11.743 ( 0.000 0.000 0.000) 0.000 15.533 ( -0.000 -0.000 0.000) 0.000 15.620 ( 0.000 0.000 -1.088) 1.088 15.620 ( 0.000 0.000 1.088) 1.088 15.816 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 -8.503) 8.503 16.818 ( 0.000 0.000 8.503) 8.503 17.078 ( 0.000 0.000 0.000) 0.000 17.257 ( 0.000 0.000 -0.000) 0.000======================= Grid point 176 (64/74) =======================q-point: ( 0.40 -0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.738 ( -0.000 13.976 22.053) 26.109 2.089 ( 0.000 9.958 2.784) 10.340 2.183 ( -0.000 2.442 16.731) 16.908 2.351 ( 0.000 -3.287 -3.871) 5.078 2.657 ( 0.000 15.984 -6.251) 17.163 2.747 ( 0.000 -7.205 -11.004) 13.153 2.835 ( 0.000 8.137 -5.145) 9.627 2.936 ( -0.000 -11.839 7.539) 14.035 3.070 ( 0.000 1.901 -0.706) 2.028 3.288 ( -0.000 -0.620 7.373) 7.399 3.303 ( -0.000 0.017 12.458) 12.458 3.498 ( 0.000 9.336 1.498) 9.455 3.809 ( -0.000 -1.236 3.930) 4.120 4.055 ( -0.000 -5.193 -1.498) 5.405 4.333 ( -0.000 -14.594 -2.601) 14.824 4.532 ( 0.000 9.420 0.251) 9.424 4.778 ( 0.000 1.588 -0.792) 1.774 5.317 ( 0.000 3.404 -4.996) 6.045 5.443 ( 0.000 2.693 -1.616) 3.141 5.764 ( 0.000 -5.165 -7.558) 9.154 6.113 ( 0.000 8.698 4.083) 9.609 6.336 ( -0.000 -26.313 5.237) 26.829 6.628 ( -0.000 -6.309 14.188) 15.527 6.634 ( -0.000 -10.881 14.923) 18.469 7.749 ( 0.000 16.160 1.668) 16.246 8.607 ( 0.000 9.091 5.965) 10.873 8.709 ( -0.000 -0.176 9.794) 9.795 9.218 ( -0.000 -12.384 2.548) 12.644 9.229 ( -0.000 -12.103 -4.292) 12.842 9.322 ( -0.000 -14.926 -6.662) 16.346 10.096 ( 0.000 7.846 3.479) 8.583 10.269 ( 0.000 8.429 -1.129) 8.504 10.470 ( -0.000 2.160 6.206) 6.571 10.674 ( 0.000 1.508 -5.182) 5.397 11.435 ( 0.000 4.498 -4.602) 6.435 11.946 ( -0.000 -16.858 -6.112) 17.932 12.122 ( 0.000 17.955 0.299) 17.957 15.347 ( -0.000 -4.225 0.923) 4.325 15.831 ( 0.000 11.876 -1.004) 11.918 15.890 ( 0.000 1.902 0.317) 1.928 16.062 ( -0.000 -4.895 2.060) 5.311 16.207 ( 0.000 2.480 -1.438) 2.866 16.874 ( 0.000 5.777 2.525) 6.305 17.165 ( -0.000 -8.345 -5.843) 10.187 17.608 ( -0.000 -13.565 -6.735) 15.145======================= Grid point 177 (65/74) =======================q-point: ( 0.40 -0.27 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -9.448 9.448 20.336) 24.333 2.184 ( 0.459 -0.459 14.462) 14.477 2.377 ( 6.318 -6.318 4.550) 10.027 2.464 ( -0.907 0.907 -9.729) 9.813 2.475 ( -7.554 7.554 -0.454) 10.692 2.714 ( 4.467 -4.467 7.424) 9.748 2.789 ( -13.581 13.581 -6.472) 20.268 2.828 ( -2.151 2.151 -10.280) 10.721 3.152 ( -4.785 4.785 5.908) 8.983 3.279 ( -0.425 0.425 2.451) 2.524 3.377 ( 3.124 -3.124 8.238) 9.348 3.711 ( -1.747 1.747 6.738) 7.177 3.788 ( 3.403 -3.403 0.369) 4.826 4.046 ( 11.375 -11.375 -4.100) 16.601 4.067 ( 11.381 -11.381 -0.038) 16.095 4.617 ( -10.710 10.710 -0.663) 15.161 4.871 ( -1.487 1.487 -0.504) 2.162 5.368 ( -1.234 1.234 -7.229) 7.436 5.476 ( 1.696 -1.696 -1.127) 2.649 5.641 ( -0.957 0.957 -7.434) 7.556 6.035 ( 14.806 -14.806 6.545) 21.939 6.238 ( -5.870 5.870 1.396) 8.419 6.405 ( 0.248 -0.248 22.074) 22.076 6.654 ( 8.640 -8.640 13.526) 18.228 7.954 ( -7.651 7.651 2.550) 11.116 8.705 ( -0.445 0.445 7.260) 7.287 8.706 ( -4.650 4.650 5.951) 8.870 8.998 ( 2.928 -2.928 -1.369) 4.362 9.106 ( 4.910 -4.910 -0.717) 6.980 9.214 ( 11.887 -11.887 -5.148) 17.581 10.213 ( -3.343 3.343 7.584) 8.937 10.263 ( -9.145 9.145 -1.763) 13.052 10.554 ( 3.076 -3.076 2.882) 5.218 10.689 ( -1.239 1.239 -6.010) 6.260 11.594 ( 3.280 -3.280 -6.009) 7.591 11.655 ( 5.623 -5.623 -5.318) 9.567 12.310 ( -9.847 9.847 1.032) 13.964 15.303 ( 2.044 -2.044 0.944) 3.041 15.885 ( -2.360 2.360 0.016) 3.337 15.992 ( -3.680 3.680 -1.516) 5.421 16.052 ( -1.121 1.121 1.879) 2.458 16.176 ( -4.150 4.150 -1.717) 6.114 16.933 ( -2.888 2.888 2.259) 4.667 17.074 ( 4.697 -4.697 -5.015) 8.323 17.463 ( 11.528 -11.528 -4.830) 17.004======================= Grid point 189 (66/74) =======================q-point: ( 0.54 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.164 ( 0.000 -1.378 -9.621) 9.719 2.248 ( -0.000 -6.179 -4.364) 7.565 2.269 ( 0.000 -1.855 -3.330) 3.812 2.401 ( 0.000 7.725 6.017) 9.792 2.621 ( 0.000 11.591 9.834) 15.201 2.771 ( 0.000 12.376 5.895) 13.708 2.917 ( -0.000 -13.414 16.113) 20.966 3.086 ( 0.000 9.494 -0.242) 9.497 3.087 ( 0.000 3.414 0.116) 3.416 3.303 ( -0.000 -4.068 -0.656) 4.121 3.518 ( -0.000 -8.250 9.010) 12.216 3.735 ( 0.000 5.959 4.577) 7.514 3.891 ( -0.000 -9.146 -3.181) 9.683 3.914 ( -0.000 -1.482 10.240) 10.347 3.963 ( -0.000 -8.736 5.574) 10.363 4.767 ( 0.000 11.263 1.720) 11.394 4.870 ( 0.000 4.025 2.207) 4.590 5.125 ( 0.000 0.306 -17.975) 17.978 5.400 ( 0.000 -2.095 -3.804) 4.343 5.492 ( 0.000 -4.689 -9.735) 10.806 6.049 ( -0.000 -15.339 10.653) 18.675 6.172 ( 0.000 5.848 -14.240) 15.394 6.993 ( -0.000 -1.663 30.728) 30.773 7.004 ( -0.000 -2.642 31.581) 31.691 8.094 ( 0.000 10.815 4.180) 11.595 8.841 ( -0.000 -0.323 1.784) 1.813 8.923 ( -0.000 -8.313 -8.151) 11.643 8.939 ( -0.000 -1.503 9.296) 9.417 8.951 ( -0.000 -2.354 5.222) 5.728 9.118 ( -0.000 -5.215 5.281) 7.422 10.315 ( 0.000 7.904 -0.846) 7.949 10.356 ( 0.000 4.642 -3.536) 5.835 10.536 ( 0.000 -0.142 -10.419) 10.420 10.687 ( -0.000 -1.371 18.813) 18.863 11.345 ( 0.000 0.997 -10.366) 10.414 11.484 ( -0.000 -11.798 -10.803) 15.997 12.437 ( 0.000 11.628 0.927) 11.665 15.310 ( -0.000 -2.042 1.804) 2.725 15.923 ( 0.000 0.945 -0.033) 0.946 15.960 ( 0.000 -0.334 -0.742) 0.814 16.093 ( 0.000 7.476 -0.265) 7.480 16.202 ( 0.000 1.155 -2.815) 3.043 16.899 ( 0.000 -4.128 -7.820) 8.842 16.991 ( -0.000 -0.825 0.324) 0.886 17.255 ( -0.000 -7.368 -2.836) 7.895======================= Grid point 202 (67/74) =======================q-point: (-0.31 -0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.850 ( 0.000 0.000 -16.973) 16.973 1.850 ( 0.000 0.000 -16.973) 16.973 2.278 ( -0.000 -0.000 0.813) 0.813 2.622 ( -0.000 -0.000 3.940) 3.940 2.944 ( 0.000 0.000 -12.494) 12.494 2.977 ( -0.000 -0.000 3.761) 3.761 2.977 ( -0.000 -0.000 3.761) 3.761 3.122 ( 0.000 0.000 -8.257) 8.257 3.193 ( 0.000 0.000 -1.012) 1.012 3.325 ( -0.000 -0.000 13.679) 13.679 3.325 ( -0.000 -0.000 13.679) 13.679 3.885 ( -0.000 -0.000 6.528) 6.528 3.885 ( -0.000 -0.000 6.528) 6.528 4.162 ( -0.000 -0.000 17.066) 17.066 4.162 ( -0.000 -0.000 17.066) 17.066 4.702 ( 0.000 0.000 -25.163) 25.163 4.993 ( -0.000 -0.000 5.808) 5.808 4.993 ( -0.000 -0.000 5.808) 5.808 5.216 ( 0.000 0.000 -13.841) 13.841 5.249 ( 0.000 0.000 -5.150) 5.150 5.850 ( 0.000 0.000 -24.625) 24.625 6.132 ( -0.000 -0.000 13.055) 13.055 7.537 ( -0.000 -0.000 21.620) 21.620 7.537 ( -0.000 -0.000 21.620) 21.620 8.284 ( -0.000 -0.000 3.988) 3.988 8.743 ( -0.000 -0.000 0.190) 0.190 8.743 ( -0.000 -0.000 0.190) 0.190 9.009 ( -0.000 -0.000 3.444) 3.444 9.203 ( -0.000 -0.000 7.651) 7.651 9.307 ( -0.000 -0.000 19.890) 19.890 10.299 ( 0.000 0.000 -10.951) 10.951 10.331 ( 0.000 0.000 -4.528) 4.528 10.331 ( 0.000 0.000 -4.528) 4.528 11.103 ( 0.000 0.000 -14.449) 14.449 11.103 ( 0.000 0.000 -14.449) 14.449 11.155 ( -0.000 -0.000 27.696) 27.696 12.584 ( -0.000 -0.000 0.241) 0.241 15.331 ( -0.000 -0.000 2.380) 2.380 15.924 ( 0.000 0.000 -0.920) 0.920 15.924 ( 0.000 0.000 -0.920) 0.920 16.155 ( 0.000 0.000 -2.954) 2.954 16.155 ( 0.000 0.000 -2.954) 2.954 16.705 ( 0.000 0.000 -7.899) 7.899 16.848 ( 0.000 0.000 -6.368) 6.368 17.275 ( -0.000 -0.000 5.603) 5.603======================= Grid point 216 (68/74) =======================q-point: ( 0.33 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 116Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.490 ( 0.000 16.131 0.000) 16.131 1.941 ( -0.000 -5.108 -0.000) 5.108 2.122 ( 0.000 17.717 0.000) 17.717 2.391 ( -0.000 -4.443 -0.000) 4.443 2.708 ( 0.000 22.722 0.000) 22.722 2.848 ( -0.000 -15.739 -0.000) 15.739 2.898 ( -0.000 -2.419 -0.000) 2.419 2.958 ( 0.000 7.059 0.000) 7.059 3.094 ( 0.000 6.717 0.000) 6.717 3.125 ( -0.000 -4.783 -0.000) 4.783 3.168 ( -0.000 -5.088 -0.000) 5.088 3.487 ( 0.000 10.126 0.000) 10.126 3.774 ( -0.000 -1.160 -0.000) 1.160 4.070 ( -0.000 -5.678 -0.000) 5.678 4.360 ( -0.000 -14.007 -0.000) 14.007 4.534 ( 0.000 10.410 0.000) 10.410 4.790 ( 0.000 1.444 0.000) 1.444 5.351 ( 0.000 4.906 0.000) 4.906 5.457 ( 0.000 2.534 0.000) 2.534 5.878 ( -0.000 -8.957 -0.000) 8.957 5.987 ( 0.000 9.333 0.000) 9.333 6.282 ( -0.000 -26.130 -0.000) 26.130 6.495 ( -0.000 -15.064 -0.000) 15.064 6.519 ( -0.000 -4.146 -0.000) 4.146 7.733 ( 0.000 15.519 0.000) 15.519 8.551 ( 0.000 9.692 0.000) 9.692 8.611 ( 0.000 1.822 0.000) 1.822 9.193 ( -0.000 -12.524 -0.000) 12.524 9.271 ( -0.000 -12.261 -0.000) 12.261 9.389 ( -0.000 -16.085 -0.000) 16.085 10.049 ( 0.000 6.033 0.000) 6.033 10.280 ( 0.000 8.911 0.000) 8.911 10.420 ( 0.000 3.745 0.000) 3.745 10.725 ( 0.000 2.144 0.000) 2.144 11.480 ( 0.000 5.207 0.000) 5.207 12.006 ( -0.000 -17.033 -0.000) 17.033 12.117 ( 0.000 17.394 0.000) 17.394 15.338 ( -0.000 -4.254 -0.000) 4.254 15.841 ( 0.000 12.474 0.000) 12.474 15.887 ( 0.000 2.019 0.000) 2.019 16.042 ( -0.000 -4.763 -0.000) 4.763 16.222 ( 0.000 2.692 0.000) 2.692 16.849 ( 0.000 5.944 0.000) 5.944 17.223 ( -0.000 -8.935 -0.000) 8.935 17.677 ( -0.000 -15.520 -0.000) 15.520======================= Grid point 219 (69/74) =======================q-point: ( 0.33 -0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.575 ( -10.368 10.368 0.000) 14.662 1.980 ( 2.943 -2.943 -0.000) 4.162 2.374 ( 4.528 -4.528 -0.000) 6.403 2.478 ( -10.714 10.714 0.000) 15.152 2.595 ( -3.655 3.655 0.000) 5.168 2.608 ( 6.395 -6.395 -0.000) 9.043 2.888 ( -18.111 18.111 0.000) 25.613 3.012 ( -3.632 3.632 0.000) 5.137 3.063 ( 1.061 -1.061 -0.000) 1.500 3.129 ( 4.367 -4.367 -0.000) 6.176 3.344 ( 1.063 -1.063 -0.000) 1.503 3.644 ( -2.878 2.878 0.000) 4.071 3.785 ( 3.622 -3.622 -0.000) 5.122 4.068 ( 11.871 -11.871 -0.000) 16.788 4.088 ( 11.640 -11.640 -0.000) 16.461 4.629 ( -11.147 11.147 0.000) 15.764 4.882 ( -1.899 1.899 0.000) 2.686 5.426 ( -2.500 2.500 0.000) 3.535 5.487 ( 1.483 -1.483 -0.000) 2.098 5.722 ( -0.323 0.323 0.000) 0.457 5.963 ( 13.597 -13.597 -0.000) 19.229 6.176 ( 2.463 -2.463 -0.000) 3.483 6.183 ( -3.088 3.088 0.000) 4.368 6.556 ( 7.519 -7.519 -0.000) 10.633 7.928 ( -7.555 7.555 0.000) 10.684 8.631 ( -1.014 1.014 0.000) 1.433 8.653 ( -4.989 4.989 0.000) 7.055 9.000 ( 3.100 -3.100 -0.000) 4.384 9.125 ( 5.273 -5.273 -0.000) 7.458 9.265 ( 12.305 -12.305 -0.000) 17.401 10.129 ( -2.527 2.527 0.000) 3.574 10.280 ( -9.191 9.191 0.000) 12.998 10.535 ( 2.333 -2.333 -0.000) 3.300 10.748 ( -1.495 1.495 0.000) 2.115 11.653 ( 3.209 -3.209 -0.000) 4.538 11.707 ( 5.300 -5.300 -0.000) 7.496 12.298 ( -9.511 9.511 0.000) 13.451 15.293 ( 2.095 -2.095 -0.000) 2.963 15.884 ( -2.342 2.342 0.000) 3.312 16.015 ( 3.907 -3.907 -0.000) 5.525 16.026 ( -9.499 9.499 0.000) 13.433 16.193 ( -4.247 4.247 0.000) 6.006 16.911 ( -3.146 3.146 0.000) 4.449 17.124 ( 4.986 -4.986 -0.000) 7.052 17.511 ( 12.506 -12.506 -0.000) 17.686======================= Grid point 231 (70/74) =======================q-point: ( 0.48 -0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.973 ( -0.000 8.414 19.601) 21.331 2.077 ( -0.000 -2.225 17.799) 17.938 2.309 ( 0.000 -0.946 -1.845) 2.073 2.455 ( 0.000 12.814 -2.072) 12.981 2.537 ( -0.000 -8.793 -6.402) 10.877 2.707 ( -0.000 -10.507 2.317) 10.759 2.855 ( 0.000 10.301 -8.939) 13.639 3.093 ( -0.000 -0.380 0.335) 0.507 3.132 ( 0.000 15.447 -2.510) 15.650 3.287 ( -0.000 1.754 2.366) 2.945 3.309 ( -0.000 -0.117 12.161) 12.162 3.642 ( -0.000 2.225 4.375) 4.909 3.803 ( -0.000 1.553 2.140) 2.644 3.903 ( -0.000 -12.129 1.346) 12.204 3.959 ( -0.000 -16.164 -3.055) 16.450 4.762 ( 0.000 11.591 -0.957) 11.630 4.861 ( 0.000 4.120 -0.954) 4.229 5.382 ( 0.000 2.624 -8.332) 8.736 5.443 ( -0.000 -3.139 -1.408) 3.440 5.664 ( 0.000 -2.994 -6.992) 7.606 5.877 ( -0.000 -17.186 6.689) 18.441 6.285 ( 0.000 7.612 6.579) 10.061 6.470 ( -0.000 -5.731 20.899) 21.671 6.514 ( -0.000 -5.069 12.044) 13.067 8.028 ( 0.000 10.429 2.566) 10.740 8.710 ( -0.000 0.633 6.675) 6.705 8.754 ( -0.000 4.697 5.734) 7.412 9.017 ( -0.000 -6.910 1.060) 6.990 9.028 ( -0.000 -7.347 -4.208) 8.467 9.075 ( -0.000 -8.962 -3.106) 9.485 10.242 ( -0.000 6.276 7.628) 9.878 10.405 ( 0.000 4.840 -1.677) 5.122 10.479 ( -0.000 -1.046 2.883) 3.067 10.702 ( 0.000 1.123 -6.255) 6.355 11.503 ( 0.000 2.248 -5.779) 6.201 11.649 ( -0.000 -11.525 -6.032) 13.009 12.411 ( 0.000 10.198 1.419) 10.296 15.282 ( -0.000 -2.158 1.004) 2.380 15.922 ( 0.000 1.138 0.126) 1.145 15.964 ( -0.000 -2.561 0.102) 2.563 16.106 ( 0.000 12.253 -0.813) 12.280 16.248 ( 0.000 1.458 -1.772) 2.295 16.961 ( 0.000 2.637 1.724) 3.150 17.024 ( -0.000 -5.180 -4.773) 7.044 17.328 ( -0.000 -12.935 -3.488) 13.397======================= Grid point 244 (71/74) =======================q-point: (-0.38 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 74Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.137 ( 0.000 0.000 -10.875) 10.875 2.137 ( 0.000 0.000 -10.875) 10.875 2.282 ( 0.000 0.000 -0.973) 0.973 2.539 ( -0.000 -0.000 4.438) 4.438 2.723 ( -0.000 -0.000 20.460) 20.460 2.723 ( -0.000 -0.000 20.460) 20.460 3.137 ( -0.000 -0.000 4.061) 4.061 3.137 ( -0.000 -0.000 4.061) 4.061 3.179 ( 0.000 0.000 -11.505) 11.505 3.210 ( 0.000 0.000 -0.774) 0.774 3.247 ( 0.000 0.000 -4.962) 4.962 3.794 ( -0.000 -0.000 5.350) 5.350 3.794 ( -0.000 -0.000 5.350) 5.350 3.898 ( -0.000 -0.000 8.992) 8.992 3.898 ( -0.000 -0.000 8.992) 8.992 4.913 ( -0.000 -0.000 2.320) 2.320 4.913 ( -0.000 -0.000 2.320) 2.320 5.128 ( 0.000 0.000 -18.767) 18.767 5.331 ( 0.000 0.000 -3.401) 3.401 5.465 ( 0.000 0.000 -11.526) 11.526 5.888 ( -0.000 -0.000 11.829) 11.829 6.233 ( 0.000 0.000 -14.678) 14.678 6.976 ( -0.000 -0.000 32.480) 32.480 6.976 ( -0.000 -0.000 32.480) 32.480 8.205 ( -0.000 -0.000 4.031) 4.031 8.836 ( 0.000 0.000 -6.915) 6.915 8.836 ( 0.000 0.000 -6.915) 6.915 8.872 ( -0.000 -0.000 8.953) 8.953 8.980 ( -0.000 -0.000 13.364) 13.364 9.070 ( -0.000 -0.000 5.998) 5.998 10.407 ( 0.000 0.000 -3.269) 3.269 10.407 ( 0.000 0.000 -3.269) 3.269 10.532 ( 0.000 0.000 -11.717) 11.717 10.664 ( -0.000 -0.000 22.509) 22.509 11.355 ( 0.000 0.000 -11.318) 11.318 11.355 ( 0.000 0.000 -11.318) 11.318 12.558 ( -0.000 -0.000 2.112) 2.112 15.289 ( -0.000 -0.000 1.895) 1.895 15.933 ( 0.000 0.000 -0.173) 0.173 15.933 ( 0.000 0.000 -0.173) 0.173 16.214 ( 0.000 0.000 -3.011) 3.011 16.214 ( 0.000 0.000 -3.011) 3.011 16.855 ( 0.000 0.000 -7.246) 7.246 16.949 ( 0.000 0.000 -3.639) 3.639 17.191 ( -0.000 -0.000 2.682) 2.682======================= Grid point 275 (72/74) =======================q-point: ( 0.42 -0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.752 ( 0.000 9.150 0.000) 9.150 1.866 ( -0.000 -2.320 -0.000) 2.320 2.328 ( -0.000 -1.728 -0.000) 1.728 2.489 ( 0.000 16.607 0.000) 16.607 2.556 ( -0.000 -11.603 -0.000) 11.603 2.755 ( -0.000 -7.285 -0.000) 7.285 3.056 ( -0.000 -2.007 -0.000) 2.007 3.078 ( -0.000 -3.628 -0.000) 3.628 3.080 ( 0.000 10.346 0.000) 10.346 3.158 ( 0.000 16.448 0.000) 16.448 3.252 ( 0.000 7.290 0.000) 7.290 3.600 ( -0.000 -0.436 -0.000) 0.436 3.788 ( 0.000 2.942 0.000) 2.942 3.892 ( -0.000 -13.709 -0.000) 13.709 3.991 ( -0.000 -16.998 -0.000) 16.998 4.778 ( 0.000 12.036 0.000) 12.036 4.878 ( 0.000 4.460 0.000) 4.460 5.454 ( 0.000 4.795 0.000) 4.795 5.457 ( -0.000 -2.901 -0.000) 2.901 5.739 ( -0.000 -4.025 -0.000) 4.025 5.810 ( -0.000 -17.974 -0.000) 17.974 6.125 ( 0.000 4.248 0.000) 4.248 6.262 ( -0.000 -8.806 -0.000) 8.806 6.466 ( -0.000 -1.207 -0.000) 1.207 8.002 ( 0.000 10.139 0.000) 10.139 8.641 ( 0.000 1.125 0.000) 1.125 8.704 ( 0.000 5.216 0.000) 5.216 8.996 ( -0.000 -6.249 -0.000) 6.249 9.070 ( -0.000 -7.253 -0.000) 7.253 9.116 ( -0.000 -10.440 -0.000) 10.440 10.153 ( 0.000 3.953 0.000) 3.953 10.421 ( 0.000 4.926 0.000) 4.926 10.464 ( 0.000 0.975 0.000) 0.975 10.764 ( 0.000 1.513 0.000) 1.513 11.559 ( 0.000 2.613 0.000) 2.613 11.708 ( -0.000 -11.451 -0.000) 11.451 12.395 ( 0.000 9.750 0.000) 9.750 15.272 ( -0.000 -2.198 -0.000) 2.198 15.920 ( 0.000 1.199 0.000) 1.199 15.963 ( -0.000 -2.864 -0.000) 2.864 16.115 ( 0.000 13.422 0.000) 13.422 16.266 ( 0.000 1.571 0.000) 1.571 16.943 ( 0.000 3.228 0.000) 3.228 17.072 ( -0.000 -5.539 -0.000) 5.539 17.364 ( -0.000 -14.462 -0.000) 14.462======================= Grid point 289 (73/74) =======================q-point: ( 0.56 -0.44 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.054 ( -0.000 -0.000 17.404) 17.404 2.054 ( -0.000 -0.000 17.404) 17.404 2.304 ( 0.000 0.000 -1.004) 1.004 2.464 ( -0.000 -0.000 3.028) 3.028 2.575 ( 0.000 0.000 -6.453) 6.453 2.575 ( 0.000 0.000 -6.453) 6.453 3.081 ( -0.000 -0.000 2.958) 2.958 3.081 ( -0.000 -0.000 2.958) 2.958 3.222 ( 0.000 0.000 -0.453) 0.453 3.317 ( 0.000 0.000 -2.391) 2.391 3.366 ( 0.000 0.000 -7.372) 7.372 3.643 ( -0.000 -0.000 7.317) 7.317 3.643 ( -0.000 -0.000 7.317) 7.317 3.832 ( -0.000 -0.000 0.730) 0.730 3.832 ( -0.000 -0.000 0.730) 0.730 4.905 ( 0.000 0.000 -1.198) 1.198 4.905 ( 0.000 0.000 -1.198) 1.198 5.381 ( 0.000 0.000 -1.807) 1.807 5.410 ( 0.000 0.000 -10.221) 10.221 5.642 ( 0.000 0.000 -6.541) 6.541 5.696 ( -0.000 -0.000 7.509) 7.509 6.411 ( -0.000 -0.000 23.623) 23.623 6.411 ( -0.000 -0.000 23.623) 23.623 6.416 ( 0.000 0.000 -4.967) 4.967 8.137 ( -0.000 -0.000 2.806) 2.806 8.717 ( -0.000 -0.000 6.305) 6.305 8.803 ( -0.000 -0.000 5.276) 5.276 8.951 ( 0.000 0.000 -4.437) 4.437 8.951 ( 0.000 0.000 -4.437) 4.437 8.979 ( -0.000 -0.000 3.292) 3.292 10.319 ( -0.000 -0.000 12.632) 12.632 10.455 ( 0.000 0.000 -1.710) 1.710 10.455 ( 0.000 0.000 -1.710) 1.710 10.714 ( 0.000 0.000 -6.709) 6.709 11.525 ( 0.000 0.000 -6.176) 6.176 11.525 ( 0.000 0.000 -6.176) 6.176 12.516 ( -0.000 -0.000 1.939) 1.939 15.260 ( -0.000 -0.000 1.052) 1.052 15.934 ( -0.000 -0.000 0.060) 0.060 15.934 ( -0.000 -0.000 0.060) 0.060 16.263 ( 0.000 0.000 -1.888) 1.888 16.263 ( 0.000 0.000 -1.888) 1.888 16.970 ( 0.000 0.000 -4.418) 4.418 16.980 ( 0.000 0.000 -0.011) 0.011 17.177 ( 0.000 0.000 -0.683) 0.683======================= Grid point 333 (74/74) =======================q-point: (-0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 50Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.843 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 2.314 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 2.676 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.226 ( -0.000 -0.000 -0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.441 ( -0.000 -0.000 -0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.827 ( -0.000 -0.000 -0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 5.398 ( -0.000 -0.000 -0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.707 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 8.108 ( 0.000 0.000 0.000) 0.000 8.653 ( 0.000 0.000 0.000) 0.000 8.757 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 8.995 ( 0.000 0.000 0.000) 0.000 10.195 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.472 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 15.250 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 15.933 ( 0.000 0.000 0.000) 0.000 16.282 ( 0.000 0.000 0.000) 0.000 16.282 ( 0.000 0.000 0.000) 0.000 16.976 ( 0.000 0.000 0.000) 0.000 17.014 ( 0.000 0.000 0.000) 0.000 17.188 ( -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 3/25920 10.0 1009.700 1009.700 833.130 0.000 -0.000 0.000 3/25920 20.0 173.004 173.004 230.010 0.000 -0.000 0.000 3/25920 30.0 74.120 74.120 100.933 0.000 -0.000 0.000 3/25920 40.0 43.765 43.765 60.295 0.000 -0.000 0.000 3/25920 50.0 30.257 30.257 42.289 0.000 -0.000 0.000 3/25920 60.0 22.869 22.869 32.364 0.000 -0.000 0.000 3/25920 70.0 18.274 18.274 26.103 0.000 -0.000 0.000 3/25920 80.0 15.166 15.166 21.808 0.000 -0.000 0.000 3/25920 90.0 12.938 12.938 18.693 0.000 -0.000 0.000 3/25920 100.0 11.272 11.272 16.343 0.000 -0.000 0.000 3/25920 110.0 9.984 9.984 14.514 0.000 -0.000 0.000 3/25920 120.0 8.962 8.962 13.054 0.000 -0.000 0.000 3/25920 130.0 8.133 8.133 11.866 0.000 -0.000 0.000 3/25920 140.0 7.448 7.448 10.881 0.000 -0.000 0.000 3/25920 150.0 6.872 6.872 10.053 0.000 -0.000 0.000 3/25920 160.0 6.382 6.382 9.346 0.000 -0.000 0.000 3/25920 170.0 5.960 5.960 8.736 0.000 -0.000 0.000 3/25920 180.0 5.593 5.593 8.205 0.000 -0.000 0.000 3/25920 190.0 5.270 5.270 7.738 0.000 -0.000 0.000 3/25920 200.0 4.984 4.984 7.323 0.000 -0.000 0.000 3/25920 210.0 4.728 4.728 6.953 0.000 -0.000 0.000 3/25920 220.0 4.499 4.499 6.620 0.000 -0.000 0.000 3/25920 230.0 4.292 4.292 6.319 0.000 -0.000 0.000 3/25920 240.0 4.104 4.104 6.045 0.000 -0.000 0.000 3/25920 250.0 3.932 3.932 5.795 0.000 -0.000 0.000 3/25920 260.0 3.774 3.774 5.566 0.000 -0.000 0.000 3/25920 270.0 3.629 3.629 5.355 0.000 -0.000 0.000 3/25920 280.0 3.495 3.495 5.160 0.000 -0.000 0.000 3/25920 290.0 3.371 3.371 4.979 0.000 -0.000 0.000 3/25920 300.0 3.256 3.256 4.810 0.000 -0.000 0.000 3/25920 310.0 3.148 3.148 4.653 0.000 -0.000 0.000 3/25920 320.0 3.048 3.048 4.506 0.000 -0.000 0.000 3/25920 330.0 2.953 2.953 4.369 0.000 -0.000 0.000 3/25920 340.0 2.865 2.865 4.239 0.000 -0.000 0.000 3/25920 350.0 2.782 2.782 4.117 0.000 -0.000 0.000 3/25920 360.0 2.704 2.704 4.003 0.000 -0.000 0.000 3/25920 370.0 2.630 2.630 3.894 0.000 -0.000 0.000 3/25920 380.0 2.559 2.559 3.791 0.000 -0.000 0.000 3/25920 390.0 2.493 2.493 3.694 0.000 -0.000 0.000 3/25920 400.0 2.430 2.430 3.602 0.000 -0.000 0.000 3/25920 410.0 2.370 2.370 3.514 0.000 -0.000 0.000 3/25920 420.0 2.314 2.314 3.430 0.000 -0.000 0.000 3/25920 430.0 2.259 2.259 3.350 0.000 -0.000 0.000 3/25920 440.0 2.208 2.208 3.274 0.000 -0.000 0.000 3/25920 450.0 2.158 2.158 3.202 0.000 -0.000 0.000 3/25920 460.0 2.111 2.111 3.132 0.000 -0.000 0.000 3/25920 470.0 2.066 2.066 3.066 0.000 -0.000 0.000 3/25920 480.0 2.023 2.023 3.002 0.000 -0.000 0.000 3/25920 490.0 1.981 1.981 2.941 0.000 -0.000 0.000 3/25920 500.0 1.942 1.942 2.882 0.000 -0.000 0.000 3/25920 510.0 1.903 1.903 2.826 0.000 -0.000 0.000 3/25920 520.0 1.867 1.867 2.772 0.000 -0.000 0.000 3/25920 530.0 1.831 1.831 2.720 0.000 -0.000 0.000 3/25920 540.0 1.797 1.797 2.670 0.000 -0.000 0.000 3/25920 550.0 1.765 1.765 2.621 0.000 -0.000 0.000 3/25920 560.0 1.733 1.733 2.575 0.000 -0.000 0.000 3/25920 570.0 1.702 1.702 2.530 0.000 -0.000 0.000 3/25920 580.0 1.673 1.673 2.486 0.000 -0.000 0.000 3/25920 590.0 1.645 1.645 2.444 0.000 -0.000 0.000 3/25920 600.0 1.617 1.617 2.404 0.000 -0.000 0.000 3/25920 610.0 1.591 1.591 2.364 0.000 -0.000 0.000 3/25920 620.0 1.565 1.565 2.326 0.000 -0.000 0.000 3/25920 630.0 1.540 1.540 2.289 0.000 -0.000 0.000 3/25920 640.0 1.516 1.516 2.254 0.000 -0.000 0.000 3/25920 650.0 1.493 1.493 2.219 0.000 -0.000 0.000 3/25920 660.0 1.470 1.470 2.186 0.000 -0.000 0.000 3/25920 670.0 1.448 1.448 2.153 0.000 -0.000 0.000 3/25920 680.0 1.427 1.427 2.122 0.000 -0.000 0.000 3/25920 690.0 1.406 1.406 2.091 0.000 -0.000 0.000 3/25920 700.0 1.386 1.386 2.061 0.000 -0.000 0.000 3/25920 710.0 1.366 1.366 2.032 0.000 -0.000 0.000 3/25920 720.0 1.347 1.347 2.004 0.000 -0.000 0.000 3/25920 730.0 1.329 1.329 1.977 0.000 -0.000 0.000 3/25920 740.0 1.311 1.311 1.950 0.000 -0.000 0.000 3/25920 750.0 1.294 1.294 1.924 0.000 -0.000 0.000 3/25920 760.0 1.277 1.277 1.899 0.000 -0.000 0.000 3/25920 770.0 1.260 1.260 1.875 0.000 -0.000 0.000 3/25920 780.0 1.244 1.244 1.851 0.000 -0.000 0.000 3/25920 790.0 1.228 1.228 1.827 0.000 -0.000 0.000 3/25920 800.0 1.213 1.213 1.804 0.000 -0.000 0.000 3/25920 810.0 1.198 1.198 1.782 0.000 -0.000 0.000 3/25920 820.0 1.183 1.183 1.761 0.000 -0.000 0.000 3/25920 830.0 1.169 1.169 1.739 0.000 -0.000 0.000 3/25920 840.0 1.155 1.155 1.719 0.000 -0.000 0.000 3/25920 850.0 1.141 1.141 1.699 0.000 -0.000 0.000 3/25920 860.0 1.128 1.128 1.679 0.000 -0.000 0.000 3/25920 870.0 1.115 1.115 1.660 0.000 -0.000 0.000 3/25920 880.0 1.102 1.102 1.641 0.000 -0.000 0.000 3/25920 890.0 1.090 1.090 1.622 0.000 -0.000 0.000 3/25920 900.0 1.078 1.078 1.605 0.000 -0.000 0.000 3/25920 910.0 1.066 1.066 1.587 0.000 -0.000 0.000 3/25920 920.0 1.055 1.055 1.570 0.000 -0.000 0.000 3/25920 930.0 1.043 1.043 1.553 0.000 -0.000 0.000 3/25920 940.0 1.032 1.032 1.536 0.000 -0.000 0.000 3/25920 950.0 1.021 1.021 1.520 0.000 -0.000 0.000 3/25920 960.0 1.011 1.011 1.504 0.000 -0.000 0.000 3/25920 970.0 1.000 1.000 1.489 0.000 -0.000 0.000 3/25920 980.0 0.990 0.990 1.474 0.000 -0.000 0.000 3/25920 990.0 0.980 0.980 1.459 0.000 -0.000 0.000 3/25920 1000.0 0.970 0.970 1.444 0.000 -0.000 0.000 3/25920Thermal conductivity related properties were written into "kappa-m2648.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 07:33:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|