# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/17a91df6-0040-4635-a5cf-e0f2f0a95694/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 TaRhO4 / I4_1md (109) / materials id 760402](https://mdr.nims.go.jp/datasets/5f88bef9-6eb5-456b-84c9-4843504493e1) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-09 00:22:49]-------------------------Compiled with OpenMP support (max 128 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_1md (109)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a -3.345982980000000 3.345982980000000 2.975500450000000 b 3.345982980000000 -3.345982980000000 2.975500450000000 c 3.345982980000000 3.345982980000000 -2.975500450000000Atomic positions (fractional): *1 Ta 0.76372356461214 0.26372356461214 0.50000000000000 180.948 2 Ta 0.01372356461214 0.01372356461214 0.00000000000000 180.948 *3 Rh 0.24755537413091 0.74755537413091 0.50000000000000 102.906 4 Rh 0.49755537413091 0.49755537413091 0.00000000000000 102.906 *5 O 0.23920415740074 0.03350125884950 0.79429710144876 15.999 *6 O 0.75515585822775 0.55828643858414 0.80313058035639 15.999 7 O 0.70202527787135 0.00515585822775 0.69686941964361 15.999 8 O 0.19490705595198 0.48920415740074 0.70570289855124 15.999 9 O 0.30828643858414 0.00515585822775 0.30313058035639 15.999 10 O 0.78350125884950 0.48920415740074 0.29429710144876 15.999 11 O 0.75515585822775 0.95202527787135 0.19686941964361 15.999 12 O 0.23920415740074 0.44490705595198 0.20570289855124 15.999-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.691965959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.691965959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.951000900000000Atomic positions (fractional): *1 Ta 0.50000000000000 0.00000000000000 0.76372356461214 180.948 > 1 2 Ta 0.00000000000000 0.00000000000000 0.01372356461214 180.948 > 2 3 Ta 0.00000000000000 0.50000000000000 0.26372356461214 180.948 > 1 4 Ta 0.50000000000000 0.50000000000000 0.51372356461214 180.948 > 2 *5 Rh 0.00000000000000 0.50000000000000 0.74755537413091 102.906 > 3 6 Rh 0.00000000000000 0.00000000000000 0.49755537413091 102.906 > 4 7 Rh 0.50000000000000 0.00000000000000 0.24755537413091 102.906 > 3 8 Rh 0.50000000000000 0.50000000000000 0.99755537413091 102.906 > 4 *9 O 0.29429710144876 0.50000000000000 0.73920415740074 15.999 > 5 *10 O 0.30313058035639 0.50000000000000 0.25515585822775 15.999 > 6 11 O 0.50000000000000 0.19686941964361 0.50515585822775 15.999 > 7 12 O 0.50000000000000 0.20570289855124 0.98920415740074 15.999 > 8 13 O 0.50000000000000 0.80313058035639 0.50515585822775 15.999 > 9 14 O 0.00000000000000 0.29429710144876 0.48920415740074 15.999 > 10 15 O 0.19686941964361 0.00000000000000 0.75515585822775 15.999 > 11 16 O 0.20570289855124 0.00000000000000 0.23920415740074 15.999 > 12 17 O 0.79429710144876 0.00000000000000 0.23920415740074 15.999 > 5 18 O 0.80313058035639 0.00000000000000 0.75515585822775 15.999 > 6 19 O 0.00000000000000 0.69686941964361 0.00515585822774 15.999 > 7 20 O 0.00000000000000 0.70570289855124 0.48920415740074 15.999 > 8 21 O 0.00000000000000 0.30313058035639 0.00515585822774 15.999 > 9 22 O 0.50000000000000 0.79429710144876 0.98920415740074 15.999 > 10 23 O 0.69686941964361 0.50000000000000 0.25515585822775 15.999 > 11 24 O 0.70570289855124 0.50000000000000 0.73920415740074 15.999 > 12-------------------------------- super cell --------------------------------Lattice vectors: a 6.691965959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.691965959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.902001800000001Atomic positions (fractional): *1 Ta 0.50000000000000 0.00000000000000 0.38186178230607 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.88186178230607 180.948 > 1 3 Ta 0.00000000000000 0.00000000000000 0.00686178230607 180.948 > 2 4 Ta 0.00000000000000 0.00000000000000 0.50686178230607 180.948 > 2 5 Ta 0.00000000000000 0.50000000000000 0.13186178230607 180.948 > 1 6 Ta 0.00000000000000 0.50000000000000 0.63186178230607 180.948 > 1 7 Ta 0.50000000000000 0.50000000000000 0.25686178230607 180.948 > 2 8 Ta 0.50000000000000 0.50000000000000 0.75686178230607 180.948 > 2 *9 Rh 0.00000000000000 0.50000000000000 0.37377768706546 102.906 > 3 10 Rh 0.00000000000000 0.50000000000000 0.87377768706546 102.906 > 3 11 Rh 0.00000000000000 0.00000000000000 0.24877768706546 102.906 > 4 12 Rh 0.00000000000000 0.00000000000000 0.74877768706546 102.906 > 4 13 Rh 0.50000000000000 0.00000000000000 0.12377768706546 102.906 > 3 14 Rh 0.50000000000000 0.00000000000000 0.62377768706546 102.906 > 3 15 Rh 0.50000000000000 0.50000000000000 0.49877768706546 102.906 > 4 16 Rh 0.50000000000000 0.50000000000000 0.99877768706546 102.906 > 4 *17 O 0.29429710144876 0.50000000000000 0.36960207870037 15.999 > 5 18 O 0.29429710144876 0.50000000000000 0.86960207870037 15.999 > 5 *19 O 0.30313058035639 0.50000000000000 0.12757792911387 15.999 > 6 20 O 0.30313058035639 0.50000000000000 0.62757792911387 15.999 > 6 21 O 0.50000000000000 0.19686941964361 0.25257792911387 15.999 > 7 22 O 0.50000000000000 0.19686941964361 0.75257792911387 15.999 > 7 23 O 0.50000000000000 0.20570289855124 0.49460207870037 15.999 > 8 24 O 0.50000000000000 0.20570289855124 0.99460207870037 15.999 > 8 25 O 0.50000000000000 0.80313058035639 0.25257792911387 15.999 > 9 26 O 0.50000000000000 0.80313058035639 0.75257792911387 15.999 > 9 27 O 0.00000000000000 0.29429710144876 0.24460207870037 15.999 > 10 28 O 0.00000000000000 0.29429710144876 0.74460207870037 15.999 > 10 29 O 0.19686941964361 0.00000000000000 0.37757792911387 15.999 > 11 30 O 0.19686941964361 0.00000000000000 0.87757792911387 15.999 > 11 31 O 0.20570289855124 0.00000000000000 0.11960207870037 15.999 > 12 32 O 0.20570289855124 0.00000000000000 0.61960207870037 15.999 > 12 33 O 0.79429710144876 0.00000000000000 0.11960207870037 15.999 > 5 34 O 0.79429710144876 0.00000000000000 0.61960207870037 15.999 > 5 35 O 0.80313058035639 0.00000000000000 0.37757792911387 15.999 > 6 36 O 0.80313058035639 0.00000000000000 0.87757792911387 15.999 > 6 37 O 0.00000000000000 0.69686941964361 0.00257792911387 15.999 > 7 38 O 0.00000000000000 0.69686941964361 0.50257792911387 15.999 > 7 39 O 0.00000000000000 0.70570289855124 0.24460207870037 15.999 > 8 40 O 0.00000000000000 0.70570289855124 0.74460207870037 15.999 > 8 41 O 0.00000000000000 0.30313058035639 0.00257792911387 15.999 > 9 42 O 0.00000000000000 0.30313058035639 0.50257792911387 15.999 > 9 43 O 0.50000000000000 0.79429710144876 0.49460207870037 15.999 > 10 44 O 0.50000000000000 0.79429710144876 0.99460207870037 15.999 > 10 45 O 0.69686941964361 0.50000000000000 0.12757792911387 15.999 > 11 46 O 0.69686941964361 0.50000000000000 0.62757792911387 15.999 > 11 47 O 0.70570289855124 0.50000000000000 0.36960207870037 15.999 > 12 48 O 0.70570289855124 0.50000000000000 0.86960207870037 15.999 > 12----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4782538 0.0000000 0.0000000 0.0000000 9.4782538 0.0000000 0.0000000 0.0000000 9.3190473-------------------------- Born effective charges -------------------------- 1 Ta 7.8273627 0.0000000 0.0000000 0.0000000 5.9325196 0.0000000 0.0000000 0.0000000 8.0007686 2 Ta 5.9325196 0.0000000 0.0000000 0.0000000 7.8273627 0.0000000 0.0000000 0.0000000 8.0007686 3 Rh 1.6769348 0.0000000 0.0000000 0.0000000 0.9680097 0.0000000 0.0000000 0.0000000 1.2385377 4 Rh 0.9680097 0.0000000 0.0000000 0.0000000 1.6769348 0.0000000 0.0000000 0.0000000 1.2385377 5 O -2.2747701 0.0000000 0.6963035 0.0000000 -0.7445857 0.0000000 0.0508477 0.0000000 -1.6442224 6 O -4.4244810 0.0000000 -0.4502182 0.0000000 -0.7585766 0.0000000 0.0104241 0.0000000 -2.9754308 7 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 0.4502182 0.0000000 -0.0104241 -2.9754308 8 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 -0.6963035 0.0000000 -0.0508477 -1.6442224 9 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 -0.4502182 0.0000000 0.0104241 -2.9754308 10 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 0.6963035 0.0000000 0.0508477 -1.6442224 11 O -4.4244810 0.0000000 0.4502182 0.0000000 -0.7585766 0.0000000 -0.0104241 0.0000000 -2.9754308 12 O -2.2747701 0.0000000 -0.6963035 0.0000000 -0.7445857 0.0000000 -0.0508477 0.0000000 -1.6442224----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 144/144Permutation basis: 3276/3276Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 378Number of blocks in projector: 378Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 78Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 8Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 8Use standard eigh solver.Tree of FC basis block matrices:- (378, 362), data: False|-- (8, 8), data: True|-- (8, 8), data: True|-- (78, 74), data: True|-- (128, 124), data: True|-- (156, 148), data: True-----Solver_atoms: 1 -- 48 / 48Time (Solver_compr_matrix_reshape): 0.001Solver_block: 100 / 240 - Time: 0.106Solver_block: 200 / 240 - Time: 0.119Solver_block: 240 / 240 - Time: 0.056Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.287--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 144/144Permutation basis: 3276/3276Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 378Number of blocks in projector: 378Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 5--- Eigsh_solver_block: 1 / 5 ---Block_size: 156Use standard eigh solver.--- Eigsh_solver_block: 2 / 5 ---Block_size: 128Use standard eigh solver.--- Eigsh_solver_block: 3 / 5 ---Block_size: 78Use standard eigh solver.--- Eigsh_solver_block: 4 / 5 ---Block_size: 8Use standard eigh solver.--- Eigsh_solver_block: 5 / 5 ---Block_size: 8Use standard eigh solver.Tree of FC basis block matrices:- (378, 362), data: False|-- (8, 8), data: True|-- (8, 8), data: True|-- (78, 74), data: True|-- (128, 124), data: True|-- (156, 148), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-09 00:22:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 00:22:54]-------------------------Compiled with OpenMP support (max 128 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_1md (109)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.345982980000000 3.345982980000000 2.975500450000000 b 3.345982980000000 -3.345982980000000 2.975500450000000 c 3.345982980000000 3.345982980000000 -2.975500450000000Atomic positions (fractional): 1 Ta 0.76372356461214 0.26372356461214 0.50000000000000 180.948 2 Ta 0.01372356461214 0.01372356461214 0.00000000000000 180.948 3 Rh 0.24755537413091 0.74755537413091 0.50000000000000 102.906 4 Rh 0.49755537413091 0.49755537413091 0.00000000000000 102.906 5 O 0.23920415740074 0.03350125884950 0.79429710144876 15.999 6 O 0.75515585822775 0.55828643858414 0.80313058035639 15.999 7 O 0.70202527787135 0.00515585822775 0.69686941964361 15.999 8 O 0.19490705595198 0.48920415740074 0.70570289855124 15.999 9 O 0.30828643858414 0.00515585822775 0.30313058035639 15.999 10 O 0.78350125884950 0.48920415740074 0.29429710144876 15.999 11 O 0.75515585822775 0.95202527787135 0.19686941964361 15.999 12 O 0.23920415740074 0.44490705595198 0.20570289855124 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 6.691965959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.691965959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.902001800000001Atomic positions (fractional): 1 Ta 0.50000000000000 0.00000000000000 0.38186178230607 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.88186178230607 180.948 > 1 3 Ta 0.00000000000000 0.00000000000000 0.00686178230607 180.948 > 3 4 Ta 0.00000000000000 0.00000000000000 0.50686178230607 180.948 > 3 5 Ta 0.00000000000000 0.50000000000000 0.13186178230607 180.948 > 1 6 Ta 0.00000000000000 0.50000000000000 0.63186178230607 180.948 > 1 7 Ta 0.50000000000000 0.50000000000000 0.25686178230607 180.948 > 3 8 Ta 0.50000000000000 0.50000000000000 0.75686178230607 180.948 > 3 9 Rh 0.00000000000000 0.50000000000000 0.37377768706546 102.906 > 9 10 Rh 0.00000000000000 0.50000000000000 0.87377768706546 102.906 > 9 11 Rh 0.00000000000000 0.00000000000000 0.24877768706546 102.906 > 11 12 Rh 0.00000000000000 0.00000000000000 0.74877768706546 102.906 > 11 13 Rh 0.50000000000000 0.00000000000000 0.12377768706546 102.906 > 9 14 Rh 0.50000000000000 0.00000000000000 0.62377768706546 102.906 > 9 15 Rh 0.50000000000000 0.50000000000000 0.49877768706546 102.906 > 11 16 Rh 0.50000000000000 0.50000000000000 0.99877768706546 102.906 > 11 17 O 0.29429710144876 0.50000000000000 0.36960207870037 15.999 > 17 18 O 0.29429710144876 0.50000000000000 0.86960207870037 15.999 > 17 19 O 0.30313058035639 0.50000000000000 0.12757792911387 15.999 > 19 20 O 0.30313058035639 0.50000000000000 0.62757792911387 15.999 > 19 21 O 0.50000000000000 0.19686941964361 0.25257792911387 15.999 > 21 22 O 0.50000000000000 0.19686941964361 0.75257792911387 15.999 > 21 23 O 0.50000000000000 0.20570289855124 0.49460207870037 15.999 > 23 24 O 0.50000000000000 0.20570289855124 0.99460207870037 15.999 > 23 25 O 0.50000000000000 0.80313058035639 0.25257792911387 15.999 > 25 26 O 0.50000000000000 0.80313058035639 0.75257792911387 15.999 > 25 27 O 0.00000000000000 0.29429710144876 0.24460207870037 15.999 > 27 28 O 0.00000000000000 0.29429710144876 0.74460207870037 15.999 > 27 29 O 0.19686941964361 0.00000000000000 0.37757792911387 15.999 > 29 30 O 0.19686941964361 0.00000000000000 0.87757792911387 15.999 > 29 31 O 0.20570289855124 0.00000000000000 0.11960207870037 15.999 > 31 32 O 0.20570289855124 0.00000000000000 0.61960207870037 15.999 > 31 33 O 0.79429710144876 0.00000000000000 0.11960207870037 15.999 > 17 34 O 0.79429710144876 0.00000000000000 0.61960207870037 15.999 > 17 35 O 0.80313058035639 0.00000000000000 0.37757792911387 15.999 > 19 36 O 0.80313058035639 0.00000000000000 0.87757792911387 15.999 > 19 37 O 0.00000000000000 0.69686941964361 0.00257792911387 15.999 > 21 38 O 0.00000000000000 0.69686941964361 0.50257792911387 15.999 > 21 39 O 0.00000000000000 0.70570289855124 0.24460207870037 15.999 > 23 40 O 0.00000000000000 0.70570289855124 0.74460207870037 15.999 > 23 41 O 0.00000000000000 0.30313058035639 0.00257792911387 15.999 > 25 42 O 0.00000000000000 0.30313058035639 0.50257792911387 15.999 > 25 43 O 0.50000000000000 0.79429710144876 0.49460207870037 15.999 > 27 44 O 0.50000000000000 0.79429710144876 0.99460207870037 15.999 > 27 45 O 0.69686941964361 0.50000000000000 0.12757792911387 15.999 > 29 46 O 0.69686941964361 0.50000000000000 0.62757792911387 15.999 > 29 47 O 0.70570289855124 0.50000000000000 0.36960207870037 15.999 > 31 48 O 0.70570289855124 0.50000000000000 0.86960207870037 15.999 > 31----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 9.4782538 0.0000000 0.0000000 0.0000000 9.4782538 0.0000000 0.0000000 0.0000000 9.3190473-------------------------- Born effective charges -------------------------- 1 Ta 7.8273627 0.0000000 0.0000000 0.0000000 5.9325196 0.0000000 0.0000000 0.0000000 8.0007686 2 Ta 5.9325196 0.0000000 0.0000000 0.0000000 7.8273627 0.0000000 0.0000000 0.0000000 8.0007686 3 Rh 1.6769348 0.0000000 0.0000000 0.0000000 0.9680097 0.0000000 0.0000000 0.0000000 1.2385377 4 Rh 0.9680097 0.0000000 0.0000000 0.0000000 1.6769348 0.0000000 0.0000000 0.0000000 1.2385377 5 O -2.2747701 0.0000000 0.6963035 0.0000000 -0.7445857 0.0000000 0.0508477 0.0000000 -1.6442224 6 O -4.4244810 0.0000000 -0.4502182 0.0000000 -0.7585766 0.0000000 0.0104241 0.0000000 -2.9754308 7 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 0.4502182 0.0000000 -0.0104241 -2.9754308 8 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 -0.6963035 0.0000000 -0.0508477 -1.6442224 9 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 -0.4502182 0.0000000 0.0104241 -2.9754308 10 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 0.6963035 0.0000000 0.0508477 -1.6442224 11 O -4.4244810 0.0000000 0.4502182 0.0000000 -0.7585766 0.0000000 -0.0104241 0.0000000 -2.9754308 12 O -2.2747701 0.0000000 -0.6963035 0.0000000 -0.7445857 0.0000000 -0.0508477 0.0000000 -1.6442224----------------------------------------------------------------------------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[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 19, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000014 (zzz) 0.00000014 (zzz) 0.00000014 (zzz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000001 (yz) 0.00000001 (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 2026-01-09 00:22:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-09 00:22:58]-------------------------Compiled with OpenMP support (max 128 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_1md (109)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.345982980000000 3.345982980000000 2.975500450000000 b 3.345982980000000 -3.345982980000000 2.975500450000000 c 3.345982980000000 3.345982980000000 -2.975500450000000Atomic positions (fractional): 1 Ta 0.76372356461214 0.26372356461214 0.50000000000000 180.948 2 Ta 0.01372356461214 0.01372356461214 0.00000000000000 180.948 3 Rh 0.24755537413091 0.74755537413091 0.50000000000000 102.906 4 Rh 0.49755537413091 0.49755537413091 0.00000000000000 102.906 5 O 0.23920415740074 0.03350125884950 0.79429710144876 15.999 6 O 0.75515585822775 0.55828643858414 0.80313058035639 15.999 7 O 0.70202527787135 0.00515585822775 0.69686941964361 15.999 8 O 0.19490705595198 0.48920415740074 0.70570289855124 15.999 9 O 0.30828643858414 0.00515585822775 0.30313058035639 15.999 10 O 0.78350125884950 0.48920415740074 0.29429710144876 15.999 11 O 0.75515585822775 0.95202527787135 0.19686941964361 15.999 12 O 0.23920415740074 0.44490705595198 0.20570289855124 15.999-------------------------------- supercell ---------------------------------Lattice vectors: a 6.691965959999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.691965959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.902001800000001Atomic positions (fractional): 1 Ta 0.50000000000000 0.00000000000000 0.38186178230607 180.948 > 1 2 Ta 0.50000000000000 0.00000000000000 0.88186178230607 180.948 > 1 3 Ta 0.00000000000000 0.00000000000000 0.00686178230607 180.948 > 3 4 Ta 0.00000000000000 0.00000000000000 0.50686178230607 180.948 > 3 5 Ta 0.00000000000000 0.50000000000000 0.13186178230607 180.948 > 1 6 Ta 0.00000000000000 0.50000000000000 0.63186178230607 180.948 > 1 7 Ta 0.50000000000000 0.50000000000000 0.25686178230607 180.948 > 3 8 Ta 0.50000000000000 0.50000000000000 0.75686178230607 180.948 > 3 9 Rh 0.00000000000000 0.50000000000000 0.37377768706546 102.906 > 9 10 Rh 0.00000000000000 0.50000000000000 0.87377768706546 102.906 > 9 11 Rh 0.00000000000000 0.00000000000000 0.24877768706546 102.906 > 11 12 Rh 0.00000000000000 0.00000000000000 0.74877768706546 102.906 > 11 13 Rh 0.50000000000000 0.00000000000000 0.12377768706546 102.906 > 9 14 Rh 0.50000000000000 0.00000000000000 0.62377768706546 102.906 > 9 15 Rh 0.50000000000000 0.50000000000000 0.49877768706546 102.906 > 11 16 Rh 0.50000000000000 0.50000000000000 0.99877768706546 102.906 > 11 17 O 0.29429710144876 0.50000000000000 0.36960207870037 15.999 > 17 18 O 0.29429710144876 0.50000000000000 0.86960207870037 15.999 > 17 19 O 0.30313058035639 0.50000000000000 0.12757792911387 15.999 > 19 20 O 0.30313058035639 0.50000000000000 0.62757792911387 15.999 > 19 21 O 0.50000000000000 0.19686941964361 0.25257792911387 15.999 > 21 22 O 0.50000000000000 0.19686941964361 0.75257792911387 15.999 > 21 23 O 0.50000000000000 0.20570289855124 0.49460207870037 15.999 > 23 24 O 0.50000000000000 0.20570289855124 0.99460207870037 15.999 > 23 25 O 0.50000000000000 0.80313058035639 0.25257792911387 15.999 > 25 26 O 0.50000000000000 0.80313058035639 0.75257792911387 15.999 > 25 27 O 0.00000000000000 0.29429710144876 0.24460207870037 15.999 > 27 28 O 0.00000000000000 0.29429710144876 0.74460207870037 15.999 > 27 29 O 0.19686941964361 0.00000000000000 0.37757792911387 15.999 > 29 30 O 0.19686941964361 0.00000000000000 0.87757792911387 15.999 > 29 31 O 0.20570289855124 0.00000000000000 0.11960207870037 15.999 > 31 32 O 0.20570289855124 0.00000000000000 0.61960207870037 15.999 > 31 33 O 0.79429710144876 0.00000000000000 0.11960207870037 15.999 > 17 34 O 0.79429710144876 0.00000000000000 0.61960207870037 15.999 > 17 35 O 0.80313058035639 0.00000000000000 0.37757792911387 15.999 > 19 36 O 0.80313058035639 0.00000000000000 0.87757792911387 15.999 > 19 37 O 0.00000000000000 0.69686941964361 0.00257792911387 15.999 > 21 38 O 0.00000000000000 0.69686941964361 0.50257792911387 15.999 > 21 39 O 0.00000000000000 0.70570289855124 0.24460207870037 15.999 > 23 40 O 0.00000000000000 0.70570289855124 0.74460207870037 15.999 > 23 41 O 0.00000000000000 0.30313058035639 0.00257792911387 15.999 > 25 42 O 0.00000000000000 0.30313058035639 0.50257792911387 15.999 > 25 43 O 0.50000000000000 0.79429710144876 0.49460207870037 15.999 > 27 44 O 0.50000000000000 0.79429710144876 0.99460207870037 15.999 > 27 45 O 0.69686941964361 0.50000000000000 0.12757792911387 15.999 > 29 46 O 0.69686941964361 0.50000000000000 0.62757792911387 15.999 > 29 47 O 0.70570289855124 0.50000000000000 0.36960207870037 15.999 > 31 48 O 0.70570289855124 0.50000000000000 0.86960207870037 15.999 > 31----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 9.4782538 0.0000000 0.0000000 0.0000000 9.4782538 0.0000000 0.0000000 0.0000000 9.3190473-------------------------- Born effective charges -------------------------- 1 Ta 7.8273627 0.0000000 0.0000000 0.0000000 5.9325196 0.0000000 0.0000000 0.0000000 8.0007686 2 Ta 5.9325196 0.0000000 0.0000000 0.0000000 7.8273627 0.0000000 0.0000000 0.0000000 8.0007686 3 Rh 1.6769348 0.0000000 0.0000000 0.0000000 0.9680097 0.0000000 0.0000000 0.0000000 1.2385377 4 Rh 0.9680097 0.0000000 0.0000000 0.0000000 1.6769348 0.0000000 0.0000000 0.0000000 1.2385377 5 O -2.2747701 0.0000000 0.6963035 0.0000000 -0.7445857 0.0000000 0.0508477 0.0000000 -1.6442224 6 O -4.4244810 0.0000000 -0.4502182 0.0000000 -0.7585766 0.0000000 0.0104241 0.0000000 -2.9754308 7 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 0.4502182 0.0000000 -0.0104241 -2.9754308 8 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 -0.6963035 0.0000000 -0.0508477 -1.6442224 9 O -0.7585766 0.0000000 0.0000000 0.0000000 -4.4244810 -0.4502182 0.0000000 0.0104241 -2.9754308 10 O -0.7445857 0.0000000 0.0000000 0.0000000 -2.2747701 0.6963035 0.0000000 0.0508477 -1.6442224 11 O -4.4244810 0.0000000 0.4502182 0.0000000 -0.7585766 0.0000000 -0.0104241 0.0000000 -2.9754308 12 O -2.2747701 0.0000000 -0.6963035 0.0000000 -0.7445857 0.0000000 -0.0508477 0.0000000 -1.6442224----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000014 (zzz) 0.00000014 (zzz) 0.00000014 (zzz)Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 11 11 11 ]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: 0.81, Number of G-points: 297, Lambda: 0.26Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/126) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating 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 3.532 ( -0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 0.000) 0.000 3.757 ( 0.000 0.000 -0.000) 0.000 4.321 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 -0.000) 0.000 5.051 ( -0.000 0.000 0.000) 0.000 6.701 ( -0.000 -0.000 0.000) 0.000 6.795 ( -0.000 0.000 0.000) 0.000 7.451 ( -0.000 0.000 -0.000) 0.000 7.451 ( 0.000 -0.000 -0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 -0.000 0.000) 0.000 8.610 ( 0.000 0.000 -0.000) 0.000 8.692 ( 0.000 -0.000 0.000) 0.000 10.275 ( -0.000 0.000 -0.000) 0.000 10.275 ( 0.000 -0.000 0.000) 0.000 11.235 ( 0.000 0.000 0.000) 0.000 13.965 ( 0.000 0.000 0.000) 0.000 14.070 ( 0.000 -0.000 -0.000) 0.000 14.070 ( 0.000 -0.000 -0.000) 0.000 14.883 ( 0.000 -0.000 0.000) 0.000 15.455 ( -0.000 -0.000 -0.000) 0.000 15.455 ( -0.000 0.000 -0.000) 0.000 16.238 ( 0.000 0.000 -0.000) 0.000 16.684 ( 0.000 -0.000 0.000) 0.000 16.684 ( 0.000 -0.000 0.000) 0.000 16.748 ( 0.000 -0.000 -0.000) 0.000 18.842 ( 0.000 -0.000 0.000) 0.000 21.477 ( -0.000 -0.000 0.000) 0.000 22.170 ( 0.000 -0.000 -0.000) 0.000 22.170 ( -0.000 0.000 -0.000) 0.000 24.468 ( 0.000 -0.000 0.000) 0.000 24.856 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/126) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.568 ( -0.000 11.961 26.297) 28.890 0.791 ( 0.000 27.973 25.859) 38.094 1.354 ( 0.000 44.258 47.751) 65.107 3.598 ( -0.000 -1.474 5.495) 5.690 3.838 ( 0.000 13.891 2.073) 14.045 3.957 ( 0.000 17.584 -13.232) 22.006 4.330 ( -0.000 -3.370 4.322) 5.480 5.120 ( -0.000 1.030 7.983) 8.049 5.280 ( 0.000 13.819 -17.592) 22.371 6.825 ( -0.000 -1.417 4.600) 4.813 7.209 ( -0.000 -17.098 18.148) 24.934 7.492 ( 0.000 1.920 2.787) 3.385 7.824 ( 0.000 3.120 -3.947) 5.031 8.357 ( 0.000 1.181 0.384) 1.242 8.566 ( -0.000 -2.607 -2.893) 3.894 8.676 ( 0.000 5.245 -7.812) 9.409 8.693 ( 0.000 3.689 -3.331) 4.970 10.250 ( -0.000 -3.912 0.341) 3.927 10.380 ( 0.000 10.328 -8.305) 13.253 11.223 ( 0.000 -0.432 -1.238) 1.311 14.004 ( -0.000 -3.767 -4.428) 5.813 14.026 ( 0.000 -0.161 -5.392) 5.395 14.716 ( -0.000 -49.161 33.627) 59.561 14.921 ( -0.000 1.443 3.458) 3.747 15.423 ( 0.000 -0.798 -3.578) 3.666 15.644 ( 0.000 2.623 1.226) 2.895 16.329 ( -0.000 -13.655 7.937) 15.794 16.661 ( 0.000 -0.163 -2.671) 2.676 16.761 ( -0.000 -1.031 2.208) 2.437 18.107 ( 0.000 28.979 -25.053) 38.307 19.084 ( -0.000 -11.716 13.054) 17.541 21.430 ( 0.000 -1.299 -4.958) 5.126 22.207 ( -0.000 0.031 4.612) 4.613 22.580 ( 0.000 26.906 -21.176) 34.239 24.556 ( -0.000 -2.888 3.587) 4.605 24.853 ( -0.000 -0.444 -0.010) 0.444======================= Grid point 2 (3/126) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.120 ( -0.000 10.622 25.518) 27.640 1.535 ( 0.000 26.723 22.590) 34.992 2.636 ( 0.000 40.060 44.154) 59.618 3.602 ( 0.000 1.610 -3.658) 3.997 3.997 ( 0.000 13.374 -9.566) 16.444 4.218 ( 0.000 18.004 16.524) 24.438 4.364 ( -0.000 -5.394 7.803) 9.486 5.209 ( -0.000 -4.310 1.637) 4.610 5.317 ( -0.000 2.906 13.954) 14.253 6.868 ( -0.000 -5.316 6.095) 8.088 7.261 ( -0.000 -2.533 5.026) 5.628 7.541 ( -0.000 -0.112 0.469) 0.482 7.766 ( 0.000 -1.620 -5.217) 5.463 8.346 ( 0.000 -2.070 -5.190) 5.587 8.515 ( 0.000 3.061 -0.363) 3.082 8.639 ( 0.000 3.416 -3.865) 5.158 8.700 ( 0.000 6.024 -3.176) 6.810 10.190 ( -0.000 -7.067 1.921) 7.323 10.399 ( 0.000 6.080 -3.822) 7.181 11.181 ( 0.000 -1.279 -2.887) 3.158 13.844 ( -0.000 -5.237 -7.781) 9.379 13.912 ( 0.000 -0.285 -8.609) 8.614 14.495 ( -0.000 -25.721 4.553) 26.121 15.020 ( -0.000 2.317 5.863) 6.304 15.319 ( 0.000 -1.413 -8.053) 8.176 15.710 ( -0.000 -0.478 4.774) 4.798 16.268 ( -0.000 -5.057 1.533) 5.284 16.612 ( 0.000 -0.226 -2.911) 2.920 16.774 ( -0.000 -2.077 1.826) 2.766 18.120 ( 0.000 19.183 -15.755) 24.823 19.150 ( -0.000 -5.456 10.846) 12.141 21.293 ( 0.000 -2.886 -9.074) 9.522 22.302 ( -0.000 0.047 7.451) 7.452 22.632 ( 0.000 8.807 -4.060) 9.698 24.579 ( -0.000 0.262 1.674) 1.694 24.845 ( -0.000 -0.716 0.032) 0.717======================= Grid point 3 (4/126) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -0.000 7.959 22.501) 23.867 2.197 ( 0.000 24.789 17.918) 30.586 3.559 ( 0.000 3.852 -6.293) 7.379 3.752 ( 0.000 30.410 37.188) 48.039 4.019 ( 0.000 8.593 -6.962) 11.059 4.407 ( -0.000 -5.097 7.045) 8.696 4.763 ( 0.000 16.779 22.032) 27.693 5.261 ( -0.000 -2.311 11.931) 12.153 5.606 ( -0.000 5.026 16.015) 16.785 6.848 ( -0.000 -8.158 3.002) 8.693 7.241 ( -0.000 -6.112 -1.609) 6.321 7.484 ( -0.000 -3.905 -4.025) 5.608 7.658 ( 0.000 -0.390 -5.134) 5.149 8.154 ( 0.000 -4.682 -11.852) 12.744 8.561 ( 0.000 4.602 -3.717) 5.916 8.659 ( 0.000 4.995 -1.395) 5.186 8.829 ( 0.000 11.434 5.043) 12.497 10.125 ( -0.000 -9.104 4.141) 10.002 10.427 ( 0.000 4.025 -1.654) 4.352 11.101 ( 0.000 -2.187 -4.397) 4.911 13.642 ( -0.000 -5.608 -8.530) 10.208 13.771 ( 0.000 -0.314 -8.840) 8.846 14.185 ( -0.000 -16.791 -6.216) 17.905 15.147 ( 0.000 -1.624 -11.100) 11.218 15.155 ( -0.000 2.453 7.399) 7.795 15.754 ( -0.000 -3.988 4.480) 5.997 16.249 ( -0.000 -0.799 0.847) 1.164 16.575 ( 0.000 -0.210 -1.469) 1.484 16.756 ( -0.000 -1.950 -0.317) 1.976 18.164 ( 0.000 16.775 -9.945) 19.502 19.258 ( -0.000 -2.880 10.272) 10.668 21.083 ( 0.000 -4.673 -11.365) 12.288 22.422 ( -0.000 0.046 7.725) 7.725 22.686 ( 0.000 2.341 0.926) 2.517 24.613 ( 0.000 1.550 1.142) 1.925 24.835 ( -0.000 -0.883 0.088) 0.888======================= Grid point 4 (5/126) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.001 ( -0.000 4.402 15.900) 16.498 2.741 ( 0.000 20.387 12.196) 23.757 3.524 ( 0.000 4.057 -5.110) 6.524 4.030 ( 0.000 4.921 -2.888) 5.706 4.306 ( -0.000 -7.159 7.033) 10.036 4.671 ( 0.000 18.150 21.664) 28.263 5.299 ( 0.000 12.107 20.997) 24.237 5.496 ( -0.000 5.107 14.334) 15.216 5.909 ( -0.000 6.024 12.372) 13.761 6.746 ( -0.000 -8.436 -0.387) 8.445 7.071 ( -0.000 -10.191 -3.737) 10.855 7.340 ( -0.000 -5.638 -5.236) 7.694 7.605 ( 0.000 2.336 -4.699) 5.247 7.896 ( 0.000 -4.123 -12.834) 13.480 8.542 ( 0.000 3.285 -4.910) 5.908 8.714 ( 0.000 4.438 -0.247) 4.445 9.090 ( 0.000 12.030 5.870) 13.386 10.072 ( -0.000 -9.008 5.071) 10.337 10.456 ( 0.000 2.258 -0.229) 2.269 10.998 ( 0.000 -2.318 -4.502) 5.064 13.449 ( -0.000 -4.835 -6.777) 8.325 13.647 ( 0.000 -0.227 -6.445) 6.449 13.886 ( -0.000 -9.953 -7.910) 12.713 14.961 ( 0.000 -1.303 -9.765) 9.852 15.303 ( -0.000 2.378 7.299) 7.676 15.737 ( -0.000 -5.033 1.624) 5.289 16.253 ( -0.000 -0.257 0.032) 0.259 16.560 ( 0.000 -0.152 -0.322) 0.356 16.726 ( 0.000 -0.302 -1.077) 1.119 18.267 ( 0.000 12.944 -3.750) 13.477 19.375 ( -0.000 -0.830 7.937) 7.980 20.839 ( -0.000 -5.489 -10.519) 11.865 22.528 ( -0.000 0.033 5.664) 5.664 22.721 ( -0.000 -0.018 1.628) 1.628 24.653 ( 0.000 1.873 0.822) 2.045 24.824 ( -0.000 -0.990 0.080) 0.994======================= Grid point 5 (6/126) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.208 ( -0.000 1.255 5.776) 5.911 3.080 ( 0.000 8.821 4.499) 9.902 3.512 ( 0.000 1.829 -1.892) 2.632 4.087 ( 0.000 6.242 0.767) 6.289 4.219 ( -0.000 -9.229 -0.371) 9.237 5.095 ( 0.000 6.232 9.175) 11.092 5.673 ( -0.000 4.499 10.560) 11.479 5.735 ( 0.000 3.536 5.740) 6.742 6.103 ( 0.000 3.367 3.570) 4.907 6.685 ( -0.000 -1.492 2.942) 3.299 6.887 ( -0.000 -6.230 -4.762) 7.841 7.211 ( -0.000 -3.338 -2.263) 4.033 7.567 ( 0.000 0.646 -2.427) 2.512 7.697 ( 0.000 -1.628 -6.317) 6.523 8.516 ( 0.000 1.248 -2.144) 2.481 8.758 ( 0.000 1.787 0.015) 1.787 9.281 ( 0.000 5.527 2.125) 5.921 10.038 ( -0.000 -4.277 2.561) 4.985 10.477 ( 0.000 0.726 0.151) 0.741 10.920 ( 0.000 -1.044 -2.038) 2.290 13.324 ( -0.000 -2.108 -2.678) 3.408 13.577 ( 0.000 -0.078 -2.342) 2.344 13.704 ( -0.000 -3.242 -3.408) 4.704 14.840 ( 0.000 -0.502 -3.889) 3.921 15.425 ( -0.000 1.598 3.937) 4.249 15.684 ( -0.000 -2.780 -0.586) 2.841 16.242 ( -0.000 -0.318 -0.422) 0.528 16.557 ( -0.000 -0.056 0.006) 0.057 16.718 ( 0.000 0.295 -0.314) 0.431 18.366 ( 0.000 5.040 -0.532) 5.068 19.462 ( -0.000 0.230 3.289) 3.297 20.654 ( -0.000 -2.839 -4.707) 5.497 22.588 ( -0.000 0.012 2.064) 2.064 22.736 ( -0.000 -0.240 0.676) 0.718 24.683 ( 0.000 0.954 0.329) 1.009 24.813 ( -0.000 -0.564 0.018) 0.564======================= Grid point 12 (7/126) =======================q-point: ( 0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.080 ( 9.316 9.316 25.530) 28.728 1.355 ( 24.435 24.435 20.488) 40.173 2.318 ( 17.169 17.169 56.294) 61.307 3.656 ( 2.187 2.187 -7.124) 7.766 3.784 ( 7.583 7.583 -2.602) 11.035 4.112 ( 12.341 12.341 13.428) 22.021 4.407 ( -2.283 -2.283 7.557) 8.218 5.243 ( -2.675 -2.675 13.820) 14.329 5.289 ( 0.385 0.385 4.826) 4.856 6.917 ( 0.086 0.086 6.443) 6.444 7.280 ( -7.958 -7.958 4.476) 12.112 7.540 ( -0.677 -0.677 3.956) 4.070 7.786 ( 3.113 3.113 -5.570) 7.100 8.367 ( 0.784 0.784 -0.625) 1.273 8.446 ( -4.054 -4.054 -5.829) 8.176 8.635 ( 2.556 2.556 -5.749) 6.791 8.664 ( 7.605 7.605 -4.167) 11.533 10.247 ( -3.139 -3.139 1.776) 4.781 10.345 ( 3.417 3.417 -2.125) 5.279 11.190 ( -0.646 -0.646 -2.741) 2.890 13.890 ( -1.801 -1.801 -8.540) 8.911 13.904 ( -1.040 -1.040 -8.455) 8.582 14.754 ( -24.029 -24.029 5.810) 34.475 14.988 ( 0.556 0.556 4.843) 4.907 15.310 ( -1.987 -1.987 -7.788) 8.279 15.708 ( 3.651 3.651 2.867) 5.905 16.348 ( -7.853 -7.853 3.001) 11.505 16.493 ( -5.815 -5.815 -1.996) 8.462 16.921 ( 7.344 7.344 1.152) 10.450 17.898 ( 19.446 19.446 -22.733) 35.680 19.227 ( -9.378 -9.378 15.364) 20.297 21.309 ( -1.910 -1.910 -8.929) 9.328 22.299 ( -0.160 -0.160 7.585) 7.589 22.545 ( 11.166 11.166 -3.406) 16.155 24.581 ( -0.312 -0.312 1.242) 1.318 24.849 ( -0.795 -0.795 0.308) 1.166======================= Grid point 13 (8/126) =======================q-point: ( 0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( 7.746 8.400 23.499) 26.129 1.987 ( 17.232 23.347 18.476) 34.400 3.404 ( 7.440 23.061 46.457) 52.397 3.569 ( 5.351 1.474 -5.048) 7.502 3.856 ( 2.365 14.390 -8.647) 16.954 4.481 ( -0.250 -4.382 7.655) 8.824 4.593 ( 4.919 11.971 24.963) 28.119 5.346 ( 0.991 -8.139 13.363) 15.678 5.495 ( -7.484 2.733 15.885) 17.771 6.975 ( 2.415 -6.018 4.579) 7.938 7.223 ( -5.844 -0.632 -3.507) 6.844 7.547 ( -0.621 -3.800 0.188) 3.855 7.705 ( 2.075 -2.153 -5.754) 6.485 8.241 ( 2.631 -6.066 -8.692) 10.921 8.406 ( -8.123 6.278 -3.746) 10.929 8.590 ( 1.381 4.810 -5.847) 7.696 8.773 ( 11.151 11.277 1.569) 15.937 10.222 ( -2.303 -6.824 4.052) 8.264 10.378 ( 0.058 2.743 0.574) 2.803 11.120 ( -0.907 -1.563 -4.444) 4.798 13.709 ( -0.490 -4.345 -8.927) 9.940 13.760 ( -2.058 -0.314 -8.953) 9.192 14.431 ( -8.225 -23.233 -3.421) 24.883 15.024 ( -9.421 -0.459 -4.834) 10.599 15.208 ( 2.607 0.891 0.077) 2.756 15.793 ( 2.306 0.785 3.199) 4.020 16.280 ( -0.890 -4.758 1.060) 4.956 16.437 ( -11.296 -1.073 -0.828) 11.377 16.983 ( 17.671 -0.007 0.867) 17.693 17.883 ( 5.861 24.457 -18.327) 31.119 19.330 ( -4.820 -9.473 15.135) 18.494 21.114 ( -3.024 -3.656 -11.273) 12.231 22.421 ( -0.017 0.097 7.946) 7.947 22.649 ( 4.232 6.243 0.446) 7.555 24.600 ( 0.615 1.011 0.769) 1.411 24.842 ( -0.718 -0.910 0.346) 1.210======================= Grid point 14 (9/126) =======================q-point: ( 0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.003 ( 8.138 5.840 18.488) 21.027 2.535 ( 11.071 19.892 14.411) 26.943 3.518 ( 5.328 1.677 -2.650) 6.183 3.903 ( -0.345 12.257 -7.636) 14.445 4.327 ( 3.201 14.326 31.602) 34.845 4.511 ( 0.607 -2.117 6.724) 7.075 5.138 ( -1.077 8.931 25.633) 27.165 5.498 ( 2.291 -2.690 16.357) 16.735 5.783 ( -7.592 4.141 14.768) 17.114 6.880 ( 2.548 -8.663 -2.787) 9.450 7.127 ( -6.306 -4.226 -6.015) 9.685 7.462 ( 3.202 -4.502 -3.298) 6.434 7.590 ( 0.520 -1.546 -4.296) 4.595 8.005 ( 5.779 -6.098 -10.483) 13.434 8.429 ( -6.779 6.357 -5.151) 10.626 8.607 ( -1.568 7.851 -3.192) 8.619 8.990 ( 10.718 13.577 3.408) 17.630 10.186 ( -2.300 -9.206 5.425) 10.930 10.428 ( -0.953 0.743 2.765) 3.018 11.017 ( -1.411 -2.060 -5.375) 5.927 13.518 ( -0.181 -5.182 -6.940) 8.663 13.634 ( -2.328 -0.194 -6.701) 7.097 14.072 ( -2.172 -17.976 -5.623) 18.959 14.872 ( -12.992 -0.979 -9.906) 16.367 15.302 ( 3.485 2.261 6.132) 7.407 15.807 ( 1.838 -2.680 0.347) 3.268 16.257 ( -0.083 -1.037 0.333) 1.093 16.422 ( -11.349 -0.326 0.111) 11.354 16.966 ( 22.369 -1.974 -0.470) 22.461 18.000 ( 0.302 24.319 -10.379) 26.443 19.428 ( -2.670 -7.861 12.925) 15.361 20.879 ( -4.165 -5.054 -11.196) 12.971 22.531 ( 0.574 0.157 5.914) 5.944 22.716 ( 1.827 2.341 0.643) 3.038 24.631 ( 0.815 1.967 0.537) 2.196 24.834 ( -0.461 -0.956 0.225) 1.085======================= Grid point 15 (10/126) =======================q-point: ( 0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.272 ( 11.262 2.178 8.797) 14.456 2.946 ( 3.861 12.939 9.153) 16.312 3.534 ( 6.067 1.189 2.055) 6.515 3.964 ( -1.917 10.612 -4.013) 11.506 4.381 ( 3.765 -10.074 -0.202) 10.757 4.958 ( -2.664 9.713 15.878) 18.803 5.556 ( -6.700 3.551 16.365) 18.037 5.719 ( 0.856 -0.017 10.891) 10.925 6.042 ( -2.157 4.448 11.021) 12.079 6.714 ( -0.933 -5.518 -3.869) 6.804 6.941 ( -5.003 -5.763 -8.003) 11.059 7.341 ( 8.661 -4.336 -3.512) 10.303 7.543 ( -1.238 0.745 -1.936) 2.416 7.798 ( 8.179 -4.245 -5.656) 10.813 8.435 ( -5.101 5.083 -3.597) 8.050 8.679 ( -2.553 6.842 -1.383) 7.433 9.206 ( 8.097 12.225 0.824) 14.686 10.131 ( -1.755 -9.435 3.739) 10.300 10.475 ( -0.833 -1.384 3.673) 4.013 10.918 ( -2.443 -1.256 -3.887) 4.759 13.372 ( 0.001 -4.550 -2.971) 5.435 13.559 ( -2.607 -0.060 -2.625) 3.700 13.807 ( 0.199 -11.299 -1.934) 11.466 14.746 ( -13.288 -0.351 -4.654) 14.084 15.415 ( 2.411 2.314 3.655) 4.953 15.747 ( 2.845 -2.581 -2.770) 4.736 16.244 ( -0.444 -0.609 -0.505) 0.907 16.427 ( -10.580 0.008 0.594) 10.596 16.939 ( 22.678 -1.249 0.158) 22.713 18.187 ( -0.864 19.196 -5.397) 19.959 19.504 ( -1.463 -6.739 9.614) 11.832 20.664 ( -5.198 -4.211 -7.378) 9.959 22.598 ( 1.264 0.125 2.272) 2.603 22.737 ( 0.732 0.835 -0.559) 1.243 24.666 ( 0.781 2.054 0.270) 2.214 24.822 ( -0.234 -0.939 -0.045) 0.969======================= Grid point 16 (11/126) =======================q-point: (-0.55 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.322 ( 13.810 -1.377 -2.715) 14.141 3.137 ( -0.900 -0.048 3.777) 3.883 3.587 ( 6.595 -2.304 4.550) 8.337 4.072 ( -1.671 9.980 -1.509) 10.231 4.216 ( 5.035 -6.711 -3.796) 9.208 5.114 ( -4.419 -1.616 -2.339) 5.255 5.681 ( -6.930 -4.032 -2.182) 8.309 5.758 ( -4.070 -3.007 -0.911) 5.142 6.170 ( 2.801 -3.731 1.637) 4.944 6.625 ( -6.312 0.185 -5.639) 8.467 6.824 ( -0.600 1.715 0.862) 2.011 7.270 ( 11.360 0.437 -0.979) 11.410 7.553 ( -1.658 0.353 2.768) 3.245 7.754 ( 8.070 -0.926 4.633) 9.351 8.466 ( -4.969 3.142 0.303) 5.887 8.731 ( -2.403 3.220 -1.083) 4.161 9.320 ( 6.177 6.058 -2.998) 9.157 10.045 ( -0.657 -5.462 -1.319) 5.657 10.497 ( -0.743 -3.114 3.080) 4.442 10.887 ( -2.947 0.863 0.590) 3.127 13.322 ( 0.122 -1.606 2.283) 2.793 13.556 ( -2.756 0.142 2.145) 3.495 13.721 ( 1.022 -4.554 4.765) 6.670 14.734 ( -13.228 0.523 3.003) 13.574 15.447 ( 1.791 0.382 -2.640) 3.213 15.685 ( 3.591 1.175 -3.017) 4.835 16.235 ( -0.571 0.067 -0.051) 0.577 16.434 ( -10.254 -0.340 0.422) 10.269 16.935 ( 22.004 -0.867 0.978) 22.043 18.317 ( -1.037 10.529 -4.870) 11.647 19.519 ( -0.559 -7.974 4.753) 9.300 20.586 ( -5.825 0.977 1.246) 6.036 22.600 ( 1.583 -0.038 -2.061) 2.599 22.729 ( 0.350 1.103 -1.909) 2.232 24.688 ( 0.708 0.861 -0.246) 1.141 24.810 ( -0.156 -0.332 -0.253) 0.446======================= Grid point 17 (12/126) =======================q-point: (-0.45 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.165 ( 14.511 -5.485 -11.217) 19.144 3.031 ( 4.315 -15.009 -4.939) 16.380 3.603 ( 2.606 -4.775 4.912) 7.329 4.065 ( 0.279 -0.918 -2.287) 2.480 4.224 ( 4.381 8.495 -2.651) 9.919 4.870 ( -3.125 -13.253 -15.180) 20.392 5.425 ( -5.699 -11.666 -14.059) 19.137 5.601 ( -1.966 -7.822 -11.151) 13.762 5.976 ( -2.936 -10.067 -11.413) 15.499 6.626 ( -0.124 10.584 -2.567) 10.892 6.928 ( -1.155 5.980 2.825) 6.714 7.343 ( 8.673 3.458 5.827) 11.006 7.622 ( -1.280 -1.119 5.854) 6.096 7.891 ( 5.476 2.219 10.936) 12.430 8.518 ( -5.897 0.255 2.858) 6.558 8.733 ( -1.968 -0.431 -0.870) 2.195 9.260 ( 6.849 -3.626 -6.969) 10.422 9.974 ( -0.853 3.214 -4.911) 5.931 10.492 ( -0.922 -4.173 3.109) 5.285 10.951 ( -2.072 2.536 4.102) 5.249 13.399 ( 0.127 2.311 6.700) 7.088 13.625 ( -2.610 0.392 6.281) 6.813 13.817 ( 0.901 1.130 10.063) 10.166 14.842 ( -13.137 1.276 8.902) 15.920 15.358 ( 2.967 -1.557 -6.637) 7.434 15.684 ( 2.219 4.884 -3.431) 6.367 16.240 ( -0.696 0.837 -0.328) 1.137 16.431 ( -10.500 -0.778 0.381) 10.535 16.942 ( 21.728 -0.475 1.153) 21.763 18.325 ( -1.382 2.613 -4.962) 5.776 19.437 ( 0.085 -9.764 1.134) 9.830 20.723 ( -5.493 5.946 9.174) 12.235 22.537 ( 1.168 -0.198 -5.816) 5.936 22.712 ( 0.673 1.937 -2.938) 3.583 24.677 ( 0.728 -0.907 -0.986) 1.525 24.809 ( -0.327 0.652 -0.159) 0.746======================= Grid point 18 (13/126) =======================q-point: (-0.36 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 15.833 -10.319 -15.382) 24.368 2.613 ( 11.687 -22.456 -14.504) 29.176 3.626 ( 0.105 -3.972 5.516) 6.798 4.037 ( 1.175 -1.950 -6.488) 6.876 4.158 ( 2.993 -13.040 -11.400) 17.577 4.404 ( 0.053 -8.458 -10.545) 13.518 4.994 ( -1.608 -16.411 -16.193) 23.111 5.290 ( -0.442 -5.554 -13.058) 14.197 5.639 ( -5.808 -8.224 -14.755) 17.863 6.759 ( 3.227 10.348 -1.852) 10.996 7.072 ( -2.924 11.100 0.908) 11.515 7.479 ( 4.088 1.657 5.563) 7.099 7.689 ( 0.825 -2.901 7.101) 7.715 8.109 ( 1.843 3.738 11.018) 11.780 8.539 ( -7.902 -2.448 1.161) 8.354 8.711 ( -0.322 -2.585 1.395) 2.955 9.044 ( 8.753 -8.082 -8.838) 14.834 9.988 ( -1.558 8.876 -4.450) 10.051 10.485 ( -0.373 -5.015 4.211) 6.559 11.059 ( -1.242 2.762 4.635) 5.536 13.567 ( 0.049 4.877 8.199) 9.540 13.748 ( -2.524 0.528 8.564) 8.944 14.029 ( 0.025 5.797 10.187) 11.721 15.007 ( -12.499 1.123 8.511) 15.163 15.241 ( 3.891 -1.470 -4.365) 6.029 15.694 ( 1.175 5.819 -5.064) 7.803 16.239 ( -0.386 0.861 -1.409) 1.696 16.430 ( -11.656 -0.640 0.867) 11.706 16.955 ( 21.065 0.447 0.400) 21.073 18.267 ( -1.959 -0.600 -3.466) 4.026 19.315 ( 1.021 -10.587 1.673) 10.767 20.977 ( -4.530 6.540 11.438) 13.933 22.426 ( 0.440 -0.238 -7.928) 7.943 22.696 ( 1.198 2.229 -2.765) 3.748 24.641 ( 0.844 -1.524 -1.420) 2.247 24.818 ( -0.734 0.771 -0.057) 1.066======================= Grid point 19 (14/126) =======================q-point: (-0.27 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.438 ( 19.291 -15.134 -14.984) 28.735 2.026 ( 20.287 -22.719 -20.956) 36.971 3.247 ( 2.605 -43.020 -28.944) 51.916 3.679 ( 3.537 -3.958 4.773) 7.139 4.075 ( -3.907 -4.522 0.936) 6.049 4.299 ( 1.653 3.702 -7.851) 8.836 4.528 ( 4.669 -18.131 -11.841) 22.153 5.135 ( -3.999 2.804 -5.710) 7.514 5.353 ( -1.343 -4.768 -8.046) 9.448 6.817 ( 3.372 5.722 -4.223) 7.870 7.190 ( -2.964 5.883 -3.747) 7.578 7.532 ( -1.791 -1.123 1.508) 2.597 7.785 ( 4.906 -0.141 7.873) 9.278 8.301 ( -1.314 3.487 7.038) 7.963 8.485 ( -7.780 -3.554 -1.823) 8.746 8.712 ( 2.168 -2.516 2.912) 4.418 8.840 ( 7.771 -5.440 -4.089) 10.330 10.064 ( -1.981 9.484 -2.460) 9.997 10.486 ( 0.783 -5.787 5.719) 8.174 11.154 ( -0.798 1.967 3.333) 3.951 13.760 ( -0.140 6.368 6.391) 9.023 13.887 ( -2.985 0.600 7.987) 8.547 14.240 ( -1.611 8.747 2.932) 9.365 15.036 ( -2.983 -2.127 -2.792) 4.606 15.266 ( -3.281 1.571 6.137) 7.134 15.684 ( 1.064 4.349 -5.233) 6.887 16.228 ( -0.258 1.466 -1.642) 2.216 16.445 ( -12.806 0.229 1.498) 12.895 16.961 ( 18.994 0.709 -0.777) 19.023 18.220 ( -2.801 1.164 -3.035) 4.291 19.213 ( 2.835 -12.133 5.379) 13.571 21.219 ( -3.323 4.882 9.507) 11.192 22.300 ( -0.289 -0.181 -7.676) 7.683 22.699 ( 1.758 1.411 0.553) 2.321 24.597 ( 0.985 -1.394 -1.634) 2.363 24.827 ( -1.273 0.591 -0.030) 1.404======================= Grid point 20 (15/126) =======================q-point: (-0.18 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.005 ( 21.818 -20.835 -9.041) 31.494 1.400 ( 38.780 -17.848 -22.314) 48.170 2.132 ( 5.160 -57.580 -24.861) 62.930 3.687 ( 9.592 -0.688 -0.964) 9.665 3.937 ( -9.655 -14.828 -0.388) 17.699 4.214 ( 7.454 -6.455 -3.149) 10.352 4.261 ( -0.115 2.014 -4.601) 5.023 5.050 ( -8.271 0.914 -7.693) 11.333 5.427 ( 6.872 3.521 17.767) 19.372 6.807 ( 2.624 3.071 -4.243) 5.858 7.091 ( -3.455 -2.404 -11.762) 12.493 7.505 ( -2.254 -2.462 -1.436) 3.634 7.883 ( 5.160 -0.894 4.507) 6.909 8.378 ( 0.184 -0.904 -0.200) 0.944 8.462 ( -7.432 2.647 1.815) 8.095 8.731 ( 2.927 -0.812 2.661) 4.039 8.776 ( 3.931 -2.014 1.349) 4.619 10.157 ( -2.492 7.379 -0.693) 7.819 10.510 ( 2.259 -5.558 7.969) 9.975 11.211 ( -0.519 0.983 1.511) 1.876 13.912 ( -1.029 7.759 -0.324) 7.834 13.991 ( -4.296 0.569 4.228) 6.055 14.305 ( -2.413 7.203 -9.991) 12.551 14.957 ( 0.711 -2.609 -2.348) 3.582 15.372 ( -4.016 1.935 3.647) 5.760 15.657 ( 1.179 1.643 -3.297) 3.868 16.232 ( -0.885 2.592 -2.002) 3.392 16.479 ( -11.890 1.573 1.311) 12.065 16.950 ( 15.071 -0.721 -0.717) 15.105 18.213 ( -4.543 5.105 -2.856) 7.407 19.145 ( 5.905 -13.285 7.572) 16.392 21.387 ( -2.192 2.973 5.249) 6.418 22.201 ( -0.708 -0.020 -4.771) 4.824 22.777 ( 1.930 0.523 9.029) 9.248 24.551 ( 1.053 -1.223 -2.341) 2.843 24.834 ( -1.656 0.581 -0.066) 1.756======================= Grid point 21 (16/126) =======================q-point: (-0.09 0.09 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.615 ( 22.765 -22.765 -0.000) 32.194 0.995 ( 36.125 -36.125 -0.000) 51.088 1.053 ( 38.394 -38.394 -0.000) 54.298 3.625 ( 6.247 -6.247 -0.000) 8.835 3.796 ( 2.661 -2.661 -0.000) 3.764 4.136 ( 3.824 -3.824 -0.000) 5.408 4.271 ( -3.359 3.359 0.000) 4.751 5.010 ( -2.986 2.986 0.000) 4.223 5.814 ( -7.247 7.247 0.000) 10.249 6.798 ( 0.097 -0.097 -0.000) 0.137 6.809 ( 6.608 -6.608 -0.000) 9.345 7.462 ( 0.691 -0.691 -0.000) 0.978 7.890 ( 2.752 -2.752 -0.000) 3.892 8.359 ( 0.763 -0.763 -0.000) 1.079 8.534 ( -4.672 4.672 0.000) 6.607 8.732 ( 2.019 -2.019 -0.000) 2.855 8.807 ( -0.404 0.404 0.000) 0.572 10.229 ( -3.437 3.437 0.000) 4.861 10.566 ( 1.219 -1.219 -0.000) 1.724 11.230 ( -0.369 0.369 0.000) 0.522 13.913 ( -2.825 2.825 0.000) 3.995 14.041 ( -1.995 1.995 0.000) 2.821 14.190 ( 3.087 -3.087 -0.000) 4.366 14.907 ( 1.663 -1.663 -0.000) 2.351 15.426 ( -2.077 2.077 0.000) 2.938 15.641 ( 0.103 -0.103 -0.000) 0.146 16.228 ( -0.690 0.690 0.000) 0.976 16.536 ( -6.206 6.206 0.000) 8.777 16.904 ( 6.756 -6.756 -0.000) 9.555 18.300 ( -8.982 8.982 0.000) 12.703 19.041 ( 11.120 -11.120 -0.000) 15.725 21.457 ( -1.501 1.501 0.000) 2.122 22.165 ( -0.348 0.348 0.000) 0.493 22.959 ( -3.984 3.984 0.000) 5.634 24.495 ( 1.878 -1.878 -0.000) 2.657 24.843 ( -0.957 0.957 0.000) 1.354======================= Grid point 24 (17/126) =======================q-point: ( 0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.021 ( 7.899 7.899 20.307) 23.177 2.486 ( 18.665 18.665 13.173) 29.501 3.578 ( 3.723 3.723 -0.912) 5.344 3.777 ( 7.762 7.762 -9.530) 14.537 4.211 ( 11.125 11.125 37.964) 41.095 4.564 ( -1.375 -1.375 3.894) 4.352 5.063 ( 2.765 2.765 27.468) 27.745 5.596 ( 0.261 0.261 16.691) 16.695 5.637 ( -5.637 -5.637 16.401) 18.236 7.018 ( -4.788 -4.788 -0.493) 6.789 7.051 ( -1.618 -1.618 -9.862) 10.124 7.500 ( -2.713 -2.713 -2.107) 4.378 7.632 ( -0.222 -0.222 -5.346) 5.355 8.203 ( -0.041 -0.041 -3.963) 3.964 8.215 ( 0.775 0.775 -8.899) 8.966 8.533 ( 3.413 3.413 -4.848) 6.841 8.977 ( 13.710 13.710 1.839) 19.476 10.237 ( -6.111 -6.111 5.158) 10.064 10.415 ( -0.518 -0.518 4.507) 4.566 11.021 ( -1.927 -1.927 -5.872) 6.474 13.568 ( -2.635 -2.635 -6.758) 7.717 13.603 ( -1.774 -1.774 -7.082) 7.513 14.216 ( -13.716 -13.716 -3.917) 19.788 14.752 ( -7.339 -7.339 -10.828) 14.999 15.313 ( 2.753 2.753 5.562) 6.789 15.841 ( 0.679 0.679 -0.252) 0.993 16.282 ( -1.899 -1.899 1.453) 3.053 16.325 ( -3.990 -3.990 -0.292) 5.651 17.205 ( 9.697 9.697 2.015) 13.860 17.763 ( 15.670 15.670 -14.695) 26.590 19.470 ( -7.006 -7.006 13.861) 17.038 20.881 ( -5.285 -5.285 -11.328) 13.572 22.535 ( 0.445 0.445 6.162) 6.194 22.712 ( 3.247 3.247 0.248) 4.599 24.623 ( 1.513 1.513 0.392) 2.175 24.837 ( -0.791 -0.791 0.334) 1.168======================= Grid point 25 (18/126) =======================q-point: ( 0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.390 ( 11.147 5.346 15.024) 19.456 2.868 ( 12.443 14.684 6.796) 20.412 3.628 ( 8.824 0.649 3.031) 9.353 3.778 ( -1.904 10.810 -5.679) 12.359 4.543 ( 2.854 -4.796 -1.212) 5.711 4.811 ( 1.069 8.073 21.108) 22.624 5.446 ( -5.603 -0.856 20.004) 20.791 5.744 ( -5.602 -7.583 11.083) 14.551 5.944 ( 0.856 6.574 17.929) 19.116 6.808 ( -0.187 -8.193 -8.567) 11.856 6.909 ( -6.116 -1.137 -9.914) 11.704 7.456 ( 1.193 -0.492 -0.985) 1.624 7.557 ( 3.593 -0.709 -2.917) 4.682 8.008 ( 10.673 -6.389 -5.513) 13.606 8.255 ( -7.130 8.357 -3.964) 11.679 8.551 ( -0.451 6.270 -1.767) 6.530 9.175 ( 12.959 13.779 -0.911) 18.938 10.210 ( -5.193 -8.343 4.000) 10.610 10.488 ( -1.420 -2.318 7.009) 7.518 10.898 ( -3.219 -2.110 -5.831) 6.987 13.437 ( -0.352 -4.918 -2.880) 5.710 13.513 ( -4.061 -0.211 -3.083) 5.103 13.979 ( -4.191 -14.786 -0.380) 15.373 14.553 ( -14.255 -2.626 -5.619) 15.546 15.419 ( 3.010 2.689 2.947) 4.997 15.805 ( 1.791 -0.711 -3.807) 4.267 16.257 ( -0.337 -2.553 0.189) 2.582 16.313 ( -6.298 -0.107 0.821) 6.352 17.281 ( 22.469 0.056 0.621) 22.478 17.878 ( 2.685 23.980 -7.741) 25.341 19.569 ( -4.340 -7.370 11.915) 14.667 20.644 ( -7.227 -6.042 -8.787) 12.882 22.611 ( 1.215 0.583 2.672) 2.993 22.735 ( 1.644 1.706 -1.565) 2.839 24.653 ( 1.579 2.126 0.175) 2.654 24.829 ( -0.534 -0.807 0.001) 0.967======================= Grid point 26 (19/126) =======================q-point: ( 0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.580 ( 19.925 -0.037 4.109) 20.345 3.097 ( 2.629 5.739 5.451) 8.341 3.692 ( 4.224 2.723 2.431) 5.582 3.895 ( 0.743 10.235 0.866) 10.299 4.402 ( 5.982 -7.012 -5.740) 10.858 5.050 ( -4.319 0.947 2.663) 5.161 5.619 ( -8.687 -4.738 5.004) 11.088 5.722 ( -11.404 -7.300 0.607) 13.554 6.232 ( 2.378 1.220 8.552) 8.959 6.575 ( -4.105 -4.669 -10.313) 12.042 6.805 ( 0.779 1.908 -0.911) 2.253 7.432 ( 7.754 -0.138 -1.636) 7.926 7.545 ( 3.973 0.271 2.424) 4.662 7.910 ( 10.169 -2.820 1.688) 10.687 8.317 ( -6.134 6.737 -1.009) 9.167 8.619 ( -4.053 5.279 -0.542) 6.678 9.309 ( 10.519 11.435 -4.356) 16.137 10.125 ( -2.941 -8.225 -0.686) 8.761 10.545 ( -0.424 -4.994 6.245) 8.008 10.821 ( -5.312 0.131 -1.133) 5.433 13.365 ( 0.155 -4.188 2.017) 4.651 13.503 ( -4.514 0.129 1.879) 4.891 13.842 ( 0.503 -10.703 5.944) 12.254 14.512 ( -17.043 -0.138 2.479) 17.223 15.462 ( 2.757 2.025 -1.986) 3.956 15.725 ( 2.983 0.299 -5.644) 6.391 16.233 ( -0.603 -1.230 -0.047) 1.371 16.324 ( -6.602 -0.222 0.746) 6.648 17.275 ( 24.781 -1.125 0.289) 24.808 18.086 ( -0.858 19.878 -6.237) 20.851 19.630 ( -1.401 -8.895 9.942) 13.414 20.488 ( -9.316 -2.674 -2.251) 9.950 22.626 ( 2.111 0.306 -1.797) 2.789 22.718 ( 0.690 1.550 -3.255) 3.670 24.682 ( 1.414 1.934 -0.139) 2.400 24.815 ( -0.356 -0.744 -0.461) 0.945======================= Grid point 27 (20/126) =======================q-point: (-0.55 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.523 ( 24.831 -6.273 -4.769) 26.051 3.190 ( 0.311 -3.688 3.989) 5.441 3.734 ( 4.415 -3.535 1.517) 5.856 4.000 ( -1.062 6.537 -5.005) 8.301 4.267 ( 9.571 0.677 -1.735) 9.751 4.950 ( -4.673 -7.009 -9.337) 12.576 5.452 ( -11.552 -9.015 -10.347) 17.938 5.598 ( -10.587 -7.442 -6.302) 14.394 6.141 ( 2.017 -12.223 -9.386) 15.542 6.461 ( -2.553 9.129 -6.123) 11.285 6.895 ( 2.758 2.083 5.023) 6.097 7.440 ( 6.933 1.071 2.703) 7.518 7.630 ( 4.579 0.332 7.321) 8.641 7.970 ( 8.034 0.531 7.028) 10.687 8.401 ( -6.363 3.870 1.757) 7.652 8.665 ( -5.437 2.755 -0.322) 6.104 9.344 ( 8.810 6.501 -7.557) 13.303 9.974 ( -1.494 -4.632 -6.364) 8.012 10.551 ( -0.503 -6.163 5.424) 8.225 10.873 ( -4.374 2.518 4.421) 6.709 13.395 ( 0.335 -1.234 6.672) 6.793 13.571 ( -4.388 0.421 6.225) 7.627 13.870 ( 1.915 -5.614 11.635) 13.060 14.612 ( -17.020 1.155 9.073) 19.322 15.411 ( 3.119 -0.001 -5.986) 6.750 15.660 ( 2.025 3.105 -5.672) 6.776 16.220 ( -1.037 0.015 -0.633) 1.215 16.328 ( -6.409 -0.536 0.448) 6.447 17.264 ( 23.541 -0.746 -0.213) 23.553 18.193 ( -1.822 12.394 -8.681) 15.241 19.613 ( 1.487 -13.285 7.846) 15.500 20.540 ( -10.185 4.669 7.080) 13.254 22.564 ( 2.161 -0.332 -6.028) 6.412 22.688 ( 0.489 2.763 -4.389) 5.209 24.694 ( 1.297 0.575 -0.803) 1.630 24.800 ( -0.484 -0.069 -0.583) 0.760======================= Grid point 28 (21/126) =======================q-point: (-0.45 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.298 ( 25.687 -12.500 -7.159) 29.450 3.053 ( 12.785 -14.425 -7.132) 20.552 3.665 ( 1.248 -3.008 -0.614) 3.313 3.994 ( -4.995 4.059 -3.648) 7.398 4.302 ( 11.308 1.642 -1.705) 11.553 4.610 ( -1.693 -16.030 -13.102) 20.773 5.126 ( -7.751 -11.650 -12.686) 18.887 5.315 ( -10.602 -9.502 -13.905) 19.901 5.772 ( 2.465 -14.462 -11.904) 18.892 6.578 ( -1.617 16.929 -3.479) 17.358 6.977 ( 3.670 3.637 1.515) 5.384 7.511 ( 0.412 0.002 3.819) 3.841 7.759 ( 6.207 -1.722 10.476) 12.298 8.105 ( 3.578 2.204 7.281) 8.407 8.450 ( -7.054 -0.078 0.762) 7.096 8.702 ( -3.482 0.667 2.445) 4.307 9.236 ( 9.127 -1.377 -10.892) 14.277 9.862 ( -2.886 4.424 -6.798) 8.609 10.558 ( 0.393 -5.977 6.366) 8.741 10.992 ( -2.732 3.146 5.332) 6.767 13.522 ( 0.409 1.989 8.601) 8.837 13.692 ( -4.266 0.535 8.379) 9.418 14.018 ( 1.795 -1.832 13.284) 13.530 14.795 ( -14.979 1.922 11.045) 18.709 15.307 ( 3.200 -1.248 -5.571) 6.545 15.631 ( 0.339 4.934 -5.500) 7.397 16.211 ( -1.234 1.156 -1.573) 2.310 16.320 ( -6.639 -0.996 -0.066) 6.714 17.244 ( 20.928 -0.339 -1.474) 20.983 18.175 ( -2.838 7.632 -10.570) 13.343 19.539 ( 3.915 -15.967 9.558) 19.017 20.784 ( -8.862 8.152 11.577) 16.704 22.444 ( 1.417 -0.635 -8.351) 8.494 22.661 ( 0.460 4.196 -5.074) 6.600 24.673 ( 1.437 -0.794 -1.475) 2.207 24.797 ( -1.046 0.530 -0.352) 1.224======================= Grid point 29 (22/126) =======================q-point: (-0.36 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 24.686 -18.804 -6.033) 31.613 2.644 ( 29.438 -16.320 -15.731) 37.154 3.641 ( -0.858 -4.856 -2.832) 5.686 3.877 ( -0.656 -20.966 -7.731) 22.355 4.072 ( -1.840 -7.937 -6.255) 10.272 4.343 ( 7.349 -1.642 -6.674) 10.062 4.781 ( -1.156 -13.758 -9.478) 16.747 5.021 ( -9.898 -1.471 -11.848) 15.509 5.462 ( 3.765 -9.648 -4.552) 11.313 6.736 ( -2.260 10.930 -2.983) 11.553 7.066 ( 3.678 9.277 -1.756) 10.133 7.529 ( -3.429 -2.801 1.230) 4.596 7.893 ( 7.330 -3.020 10.934) 13.506 8.229 ( -2.323 2.634 4.201) 5.475 8.429 ( -5.879 -2.002 -0.835) 6.266 8.754 ( -0.071 -1.406 4.563) 4.776 9.020 ( 8.506 -4.116 -10.379) 14.036 9.883 ( -4.635 10.119 -4.297) 11.931 10.580 ( 1.870 -5.530 6.638) 8.839 11.105 ( -1.801 2.647 4.020) 5.139 13.687 ( 0.417 4.224 6.625) 7.868 13.824 ( -4.725 0.335 7.456) 8.834 14.188 ( 1.157 -0.106 9.523) 9.594 14.960 ( -9.089 1.389 5.873) 10.910 15.238 ( 0.685 -0.663 -0.417) 1.040 15.625 ( -0.316 4.894 -4.004) 6.332 16.202 ( -0.712 1.847 -2.402) 3.112 16.308 ( -7.985 -0.646 0.282) 8.016 17.208 ( 17.028 -0.629 -2.406) 17.208 18.101 ( -4.267 6.694 -11.170) 13.703 19.489 ( 6.866 -16.716 12.973) 22.246 21.067 ( -6.700 7.484 10.507) 14.536 22.305 ( 0.400 -0.583 -8.240) 8.271 22.656 ( -0.241 5.557 -3.865) 6.773 24.636 ( 1.798 -1.195 -1.441) 2.595 24.798 ( -1.843 0.372 -0.328) 1.908======================= Grid point 30 (23/126) =======================q-point: (-0.27 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( 20.874 -24.222 -4.323) 32.266 2.218 ( 49.149 -11.674 -12.685) 52.085 2.970 ( 5.912 -52.566 -14.640) 54.886 3.788 ( 3.154 0.505 3.444) 4.697 3.962 ( -7.271 -5.266 -2.217) 9.247 4.211 ( 2.596 0.982 -8.651) 9.086 4.477 ( 5.694 -13.081 -5.337) 15.232 4.901 ( -8.408 3.120 -6.843) 11.281 5.440 ( 3.527 1.782 8.220) 9.120 6.780 ( -1.937 3.697 -2.930) 5.099 7.101 ( 3.071 2.085 -5.800) 6.887 7.499 ( -2.922 -1.844 -0.251) 3.464 7.997 ( 7.156 -3.436 7.598) 10.989 8.307 ( -6.609 3.328 1.298) 7.513 8.393 ( -2.026 -1.231 -0.596) 2.444 8.789 ( 2.994 -1.441 2.307) 4.045 8.857 ( 3.985 -2.485 -4.381) 6.422 9.980 ( -5.991 10.143 -1.672) 11.898 10.608 ( 2.791 -4.338 5.631) 7.636 11.181 ( -1.267 1.715 1.948) 2.888 13.813 ( -0.263 4.869 0.711) 4.927 13.918 ( -5.026 0.312 4.346) 6.651 14.281 ( 1.596 -0.808 3.139) 3.613 14.992 ( -0.609 -1.290 -0.277) 1.453 15.282 ( -3.848 2.124 3.139) 5.401 15.635 ( -0.101 2.721 -1.849) 3.291 16.193 ( -0.703 2.053 -1.943) 2.913 16.321 ( -8.271 1.573 0.777) 8.455 17.157 ( 12.276 -2.296 -1.674) 12.601 18.037 ( -6.019 7.253 -8.763) 12.870 19.464 ( 9.860 -15.725 11.457) 21.812 21.285 ( -4.610 5.410 6.060) 9.340 22.193 ( -0.424 -0.187 -5.220) 5.241 22.708 ( -2.386 6.835 -0.146) 7.241 24.598 ( 2.235 -1.725 -1.022) 3.002 24.798 ( -2.292 0.528 -0.341) 2.377======================= Grid point 31 (24/126) =======================q-point: (-0.18 0.18 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.236 ( 22.978 -22.978 -0.000) 32.496 1.947 ( 33.532 -33.532 -0.000) 47.421 2.077 ( 36.735 -36.735 -0.000) 51.951 3.804 ( 5.354 -5.354 -0.000) 7.571 3.871 ( 1.896 -1.896 -0.000) 2.682 4.168 ( -3.309 3.309 0.000) 4.680 4.292 ( 7.809 -7.809 -0.000) 11.044 4.898 ( -4.907 4.907 0.000) 6.940 5.619 ( -6.011 6.011 0.000) 8.501 6.785 ( -1.411 1.411 0.000) 1.995 6.991 ( 5.971 -5.971 -0.000) 8.445 7.479 ( 0.331 -0.331 -0.000) 0.469 8.000 ( 5.233 -5.233 -0.000) 7.401 8.377 ( 0.387 -0.387 -0.000) 0.548 8.381 ( -6.176 6.176 0.000) 8.734 8.790 ( 2.273 -2.273 -0.000) 3.215 8.805 ( 0.541 -0.541 -0.000) 0.765 10.088 ( -6.941 6.941 0.000) 9.816 10.616 ( 2.410 -2.410 -0.000) 3.408 11.213 ( -0.963 0.963 0.000) 1.361 13.844 ( -2.025 2.025 0.000) 2.864 13.973 ( -2.719 2.719 0.000) 3.845 14.272 ( 2.804 -2.804 -0.000) 3.965 14.961 ( 2.013 -2.013 -0.000) 2.847 15.348 ( -3.432 3.432 0.000) 4.854 15.639 ( -0.343 0.343 0.000) 0.485 16.201 ( -1.298 1.298 0.000) 1.835 16.375 ( -5.535 5.535 0.000) 7.827 17.087 ( 6.656 -6.656 -0.000) 9.413 18.065 ( -7.857 7.857 0.000) 11.112 19.369 ( 12.631 -12.631 -0.000) 17.863 21.392 ( -3.438 3.438 0.000) 4.863 22.153 ( -0.429 0.429 0.000) 0.606 22.815 ( -6.289 6.289 0.000) 8.894 24.558 ( 2.509 -2.509 -0.000) 3.548 24.808 ( -1.491 1.491 0.000) 2.109======================= Grid point 36 (25/126) =======================q-point: ( 0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.746 ( 8.357 8.357 12.711) 17.356 3.081 ( 10.907 10.907 1.018) 15.458 3.630 ( 1.586 1.586 -7.240) 7.580 3.874 ( 5.680 5.680 9.423) 12.383 4.503 ( 0.322 0.322 -6.658) 6.674 5.006 ( -0.738 -0.738 4.195) 4.323 5.602 ( -6.206 -6.206 10.024) 13.323 5.676 ( -13.516 -13.516 -0.534) 19.122 6.229 ( 2.406 2.406 9.725) 10.303 6.596 ( -4.878 -4.878 -11.598) 13.495 6.794 ( 2.816 2.816 -0.941) 4.092 7.458 ( -0.050 -0.050 0.126) 0.145 7.613 ( 6.108 6.108 1.401) 8.751 8.053 ( 2.578 2.578 -1.735) 4.038 8.174 ( 1.577 1.577 0.063) 2.231 8.541 ( 0.552 0.552 -0.138) 0.792 9.302 ( 12.212 12.212 -5.003) 17.981 10.163 ( -6.096 -6.096 -0.466) 8.633 10.590 ( -2.511 -2.511 9.114) 9.782 10.771 ( -3.611 -3.611 -3.511) 6.198 13.423 ( -2.416 -2.416 2.599) 4.293 13.443 ( -2.483 -2.483 1.102) 3.681 13.952 ( -7.205 -7.205 6.927) 12.320 14.363 ( -8.269 -8.269 1.794) 11.831 15.467 ( 2.835 2.835 -1.946) 4.457 15.744 ( 1.150 1.150 -6.511) 6.711 16.257 ( -1.855 -1.855 -0.344) 2.646 16.260 ( -2.005 -2.005 1.263) 3.105 17.532 ( 10.813 10.813 -0.004) 15.292 17.864 ( 12.284 12.284 -6.303) 18.480 19.687 ( -4.717 -4.717 11.971) 13.704 20.436 ( -7.728 -7.728 -4.094) 11.670 22.640 ( 1.298 1.298 -1.328) 2.266 22.711 ( 1.293 1.293 -4.166) 4.550 24.678 ( 1.958 1.958 -0.105) 2.770 24.818 ( -0.612 -0.612 -0.526) 1.013======================= Grid point 37 (26/126) =======================q-point: (-0.64 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.935 ( 22.276 -1.755 3.994) 22.699 3.206 ( 3.241 2.295 3.962) 5.610 3.617 ( -7.109 10.462 -4.175) 13.320 4.040 ( 8.809 2.135 1.488) 9.186 4.379 ( 3.884 -1.798 -4.812) 6.440 4.952 ( -3.213 -2.031 -7.631) 8.525 5.401 ( -14.839 -12.516 -9.634) 21.672 5.566 ( -9.995 -8.315 -2.272) 13.198 6.261 ( -1.267 -2.455 -4.623) 5.386 6.373 ( -0.833 -1.081 -10.530) 10.618 6.913 ( 3.892 2.758 7.501) 8.889 7.456 ( -1.108 -0.004 -0.109) 1.113 7.750 ( 11.942 3.332 7.476) 14.478 8.078 ( 7.296 -0.562 4.176) 8.425 8.257 ( -3.708 6.307 2.056) 7.599 8.548 ( -5.728 0.749 0.111) 5.778 9.353 ( 9.746 9.742 -7.820) 15.844 10.018 ( -3.714 -5.814 -7.840) 10.443 10.647 ( 1.106 -7.117 6.555) 9.738 10.767 ( -6.411 2.073 4.973) 8.374 13.436 ( 0.374 -3.775 6.445) 7.479 13.501 ( -4.778 0.383 6.380) 7.979 13.995 ( 0.328 -8.363 12.763) 15.263 14.387 ( -13.963 -1.468 9.168) 16.769 15.440 ( 3.004 1.851 -5.477) 6.515 15.651 ( 0.975 1.327 -7.391) 7.572 16.218 ( -0.890 -1.631 -0.770) 2.012 16.266 ( -3.457 -0.326 0.553) 3.516 17.574 ( 20.003 0.901 -2.582) 20.189 17.974 ( 0.306 16.020 -7.919) 17.873 19.795 ( 1.228 -8.392 12.611) 15.198 20.356 ( -11.174 -1.459 3.747) 11.876 22.599 ( 2.495 0.189 -5.628) 6.159 22.655 ( 0.280 2.472 -5.876) 6.381 24.699 ( 1.661 1.541 -0.475) 2.315 24.797 ( -0.583 -0.539 -1.046) 1.314======================= Grid point 38 (27/126) =======================q-point: (-0.55 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.838 ( 27.327 -12.045 -2.208) 29.945 3.269 ( 2.950 -2.575 3.457) 5.224 3.711 ( -5.310 6.536 -2.938) 8.919 3.910 ( 6.798 -2.270 -11.665) 13.691 4.404 ( 6.197 2.659 3.611) 7.649 4.734 ( -1.362 -6.524 -12.959) 14.572 5.098 ( -13.065 -7.589 -11.269) 18.849 5.332 ( -9.394 -12.166 -9.267) 17.948 6.007 ( 2.604 -12.526 -10.664) 16.656 6.336 ( -3.036 12.073 -6.490) 14.039 7.020 ( 4.973 -0.039 3.910) 6.326 7.469 ( -4.693 0.895 1.020) 4.886 7.911 ( 11.808 -0.594 10.595) 15.875 8.144 ( 4.879 0.192 3.808) 6.192 8.361 ( -4.237 1.789 2.736) 5.351 8.597 ( -6.784 3.528 3.797) 8.537 9.323 ( 8.154 5.339 -10.236) 14.134 9.801 ( -3.995 -2.113 -11.265) 12.137 10.660 ( 2.037 -6.428 7.402) 10.013 10.899 ( -4.366 3.321 6.343) 8.386 13.524 ( 0.536 -1.074 8.952) 9.032 13.626 ( -4.395 0.359 8.720) 9.772 14.110 ( 2.838 -6.361 14.828) 16.383 14.565 ( -14.335 1.800 12.530) 19.125 15.362 ( 3.319 -0.171 -5.704) 6.602 15.572 ( -0.869 2.886 -6.208) 6.901 16.188 ( -0.987 -0.227 -1.552) 1.853 16.260 ( -3.793 -0.353 -0.832) 3.900 17.519 ( 18.186 -0.546 -4.379) 18.714 18.010 ( -2.248 10.914 -11.098) 15.727 19.826 ( 6.715 -14.699 13.007) 20.745 20.527 ( -12.310 7.680 11.228) 18.346 22.482 ( 2.519 -0.890 -8.521) 8.930 22.602 ( -0.448 4.212 -6.977) 8.162 24.699 ( 1.641 0.141 -1.132) 1.999 24.778 ( -1.026 0.159 -0.990) 1.434======================= Grid point 39 (28/126) =======================q-point: (-0.45 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.577 ( 23.531 -19.441 -3.536) 30.727 3.187 ( 21.911 -7.684 -5.405) 23.841 3.649 ( 2.540 0.079 -3.753) 4.533 3.837 ( -8.189 4.369 -3.848) 10.048 4.344 ( 2.510 -14.510 -10.199) 17.913 4.489 ( 7.128 -2.409 -5.244) 9.172 4.838 ( -7.982 -8.039 -8.968) 14.449 5.002 ( -7.201 -12.190 -8.741) 16.639 5.685 ( 5.161 -12.393 -6.924) 15.105 6.466 ( -6.304 17.108 -4.017) 18.670 7.061 ( 6.463 2.915 0.066) 7.090 7.488 ( -7.051 -1.173 0.978) 7.214 8.048 ( 9.062 -1.903 9.374) 13.176 8.187 ( -0.359 0.081 1.730) 1.768 8.389 ( -3.225 -2.110 2.419) 4.550 8.737 ( -2.248 2.085 7.471) 8.075 9.169 ( 7.392 -1.526 -12.603) 14.690 9.681 ( -6.551 7.396 -8.401) 12.969 10.690 ( 3.249 -5.498 6.850) 9.365 11.032 ( -2.992 3.300 4.799) 6.548 13.659 ( 0.805 1.296 7.731) 7.880 13.759 ( -4.341 -0.047 7.869) 8.987 14.249 ( 2.854 -4.347 11.920) 13.005 14.782 ( -11.211 3.469 9.984) 15.408 15.282 ( 2.780 -1.655 -2.437) 4.051 15.548 ( -1.833 4.140 -3.134) 5.506 16.165 ( -1.073 1.220 -2.343) 2.851 16.233 ( -4.674 -0.534 -1.626) 4.978 17.434 ( 14.059 -1.433 -4.755) 14.911 17.952 ( -3.348 7.378 -11.880) 14.380 19.826 ( 9.617 -15.979 14.555) 23.657 20.836 ( -9.991 9.761 11.756) 18.256 22.331 ( 1.657 -1.196 -8.806) 9.040 22.562 ( -1.645 5.794 -6.810) 9.091 24.674 ( 1.916 -0.631 -1.342) 2.423 24.769 ( -1.756 0.297 -0.722) 1.922======================= Grid point 40 (29/126) =======================q-point: (-0.36 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.217 ( 20.369 -23.661 -4.173) 31.498 2.981 ( 39.930 -8.125 -5.023) 41.056 3.587 ( 4.752 -15.248 -4.850) 16.692 3.807 ( -6.297 -6.925 2.779) 9.764 3.943 ( 0.405 -11.049 -6.714) 12.936 4.275 ( 2.123 -5.353 -11.540) 12.897 4.675 ( 2.854 -4.062 -4.173) 6.486 4.795 ( -5.466 -4.882 -3.163) 7.982 5.518 ( 4.973 -4.821 0.974) 6.994 6.614 ( -8.241 10.761 -2.565) 13.794 7.112 ( 6.532 5.460 -1.907) 8.724 7.469 ( -5.928 -1.976 0.121) 6.250 8.136 ( 5.533 -0.681 4.552) 7.197 8.206 ( -3.734 -0.924 1.521) 4.136 8.400 ( 0.542 -3.350 3.717) 5.033 8.840 ( 1.577 -1.109 4.568) 4.959 8.954 ( 4.745 -2.814 -9.608) 11.080 9.726 ( -9.042 11.758 -3.804) 15.313 10.711 ( 3.730 -4.461 4.552) 7.385 11.128 ( -2.225 2.573 2.412) 4.170 13.771 ( 0.814 2.161 3.108) 3.872 13.854 ( -4.105 -0.157 4.679) 6.226 14.337 ( 2.559 -3.041 5.871) 7.089 14.935 ( -6.018 3.336 3.513) 7.726 15.253 ( 0.880 -1.220 1.081) 1.852 15.581 ( -1.587 3.450 -0.020) 3.797 16.152 ( -0.724 2.473 -2.565) 3.636 16.211 ( -5.948 0.441 -0.569) 5.992 17.344 ( 9.897 -2.992 -2.947) 10.751 17.878 ( -4.330 5.782 -8.551) 11.194 19.820 ( 11.612 -15.072 11.164) 22.059 21.110 ( -7.498 8.299 7.233) 13.320 22.200 ( 0.575 -0.849 -5.833) 5.922 22.565 ( -3.889 7.118 -3.969) 9.030 24.647 ( 2.242 -0.938 -0.727) 2.537 24.762 ( -2.187 0.242 -0.562) 2.271======================= Grid point 41 (30/126) =======================q-point: (-0.27 0.27 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( 22.667 -22.667 -0.000) 32.056 2.784 ( 27.122 -27.122 -0.000) 38.357 3.029 ( 32.700 -32.700 -0.000) 46.245 3.853 ( -2.754 2.754 0.000) 3.894 3.865 ( -0.529 0.529 0.000) 0.748 4.134 ( 0.349 -0.349 -0.000) 0.493 4.538 ( 9.050 -9.050 -0.000) 12.799 4.771 ( -3.749 3.749 0.000) 5.302 5.526 ( -0.505 0.505 0.000) 0.714 6.696 ( -5.688 5.688 0.000) 8.044 7.111 ( 2.806 -2.806 -0.000) 3.968 7.466 ( -1.483 1.483 0.000) 2.097 8.155 ( 5.190 -5.190 -0.000) 7.340 8.226 ( -4.689 4.689 0.000) 6.631 8.392 ( 1.711 -1.711 -0.000) 2.419 8.842 ( 2.018 -2.018 -0.000) 2.854 8.853 ( 2.261 -2.261 -0.000) 3.197 9.854 ( -10.214 10.214 0.000) 14.444 10.696 ( 3.470 -3.470 -0.000) 4.907 11.176 ( -1.803 1.803 0.000) 2.550 13.808 ( -0.663 0.663 0.000) 0.938 13.904 ( -2.262 2.262 0.000) 3.199 14.343 ( 2.575 -2.575 -0.000) 3.642 14.986 ( -1.061 1.061 0.000) 1.500 15.268 ( -1.542 1.542 0.000) 2.180 15.616 ( -1.432 1.432 0.000) 2.026 16.159 ( -1.680 1.680 0.000) 2.376 16.240 ( -4.366 4.366 0.000) 6.174 17.262 ( 6.124 -6.124 -0.000) 8.661 17.882 ( -5.611 5.611 0.000) 7.935 19.721 ( 13.212 -13.212 -0.000) 18.684 21.264 ( -6.043 6.043 0.000) 8.546 22.147 ( 0.066 -0.066 -0.000) 0.094 22.634 ( -6.761 6.761 0.000) 9.561 24.622 ( 2.068 -2.068 -0.000) 2.924 24.767 ( -1.440 1.440 0.000) 2.036======================= Grid point 48 (31/126) =======================q-point: (-0.64 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.245 ( 6.904 6.904 6.180) 11.555 3.300 ( 3.184 3.184 0.961) 4.604 3.461 ( 0.277 0.277 -5.519) 5.533 4.033 ( 2.344 2.344 -12.870) 13.290 4.416 ( 1.695 1.695 4.708) 5.283 4.768 ( -0.691 -0.691 -11.926) 11.966 5.050 ( -9.529 -9.529 -12.025) 18.061 5.353 ( -10.297 -10.297 -7.142) 16.219 6.151 ( -0.700 -0.700 -7.794) 7.857 6.193 ( -1.557 -1.557 -9.906) 10.148 7.069 ( 1.964 1.964 6.527) 7.093 7.415 ( -2.490 -2.490 -1.334) 3.766 8.008 ( 6.400 6.400 7.066) 11.482 8.256 ( 1.332 1.332 -0.036) 1.884 8.256 ( 2.857 2.857 9.636) 10.449 8.500 ( -3.625 -3.625 3.926) 6.456 9.337 ( 7.572 7.572 -9.587) 14.373 9.792 ( -4.502 -4.502 -13.384) 14.821 10.767 ( -1.214 -1.214 6.735) 6.951 10.799 ( -1.459 -1.459 7.668) 7.940 13.552 ( -1.292 -1.292 8.560) 8.753 13.577 ( -1.563 -1.563 9.420) 9.676 14.212 ( -2.262 -2.262 15.816) 16.137 14.416 ( -6.185 -6.185 12.489) 15.247 15.389 ( 2.283 2.283 -5.455) 6.339 15.542 ( -0.102 -0.102 -6.745) 6.746 16.186 ( -0.920 -0.920 -1.608) 2.069 16.233 ( -1.416 -1.416 -1.032) 2.253 17.700 ( 7.852 7.852 -6.454) 12.844 17.868 ( 5.287 5.287 -9.912) 12.416 20.038 ( -0.511 -0.511 15.999) 16.015 20.325 ( -5.537 -5.537 9.074) 11.986 22.526 ( 1.509 1.509 -8.066) 8.344 22.549 ( 1.094 1.094 -8.187) 8.332 24.710 ( 1.187 1.187 -0.705) 1.820 24.768 ( -0.573 -0.573 -1.529) 1.730======================= Grid point 50 (32/126) =======================q-point: (-0.55 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.121 ( 19.236 -16.696 -3.620) 25.727 3.381 ( 3.884 0.669 4.259) 5.803 3.543 ( -9.380 13.222 -4.570) 16.844 3.799 ( 1.330 -4.043 -11.854) 12.595 4.483 ( 6.269 -1.706 -4.040) 7.651 4.592 ( 4.831 0.398 -5.392) 7.250 4.824 ( -6.794 -3.251 -6.630) 10.034 5.078 ( -8.355 -12.434 -8.287) 17.119 5.914 ( 5.605 -11.037 -8.060) 14.772 6.162 ( -8.246 12.084 -6.414) 15.974 7.141 ( 4.966 -1.852 2.891) 6.037 7.380 ( -7.913 0.204 -0.552) 7.935 8.127 ( 3.959 2.625 1.593) 5.010 8.223 ( 1.191 -1.487 -1.392) 2.359 8.441 ( 4.823 -4.321 12.103) 13.727 8.631 ( -5.089 5.358 10.637) 12.952 9.257 ( 6.684 2.994 -11.462) 13.602 9.536 ( -6.116 0.164 -13.911) 15.197 10.813 ( 4.026 -5.007 6.424) 9.085 10.935 ( -4.204 3.769 5.566) 7.929 13.667 ( 0.503 -0.866 8.390) 8.449 13.710 ( -2.913 -0.124 8.344) 8.839 14.373 ( 3.795 -6.398 12.759) 14.769 14.585 ( -10.305 2.701 10.988) 15.304 15.344 ( 3.463 -0.444 -2.047) 4.048 15.472 ( -2.486 1.942 -3.157) 4.463 16.147 ( -0.593 -0.219 -2.394) 2.476 16.190 ( -2.619 -0.677 -2.607) 3.757 17.624 ( 10.954 -0.914 -7.132) 13.104 17.810 ( -2.323 7.683 -10.497) 13.214 20.172 ( 11.154 -13.038 14.878) 22.710 20.542 ( -12.584 9.710 12.528) 20.239 22.383 ( 3.134 -1.674 -8.970) 9.648 22.465 ( -2.053 4.523 -8.403) 9.761 24.704 ( 1.479 -0.232 -1.018) 1.811 24.744 ( -1.269 0.287 -1.261) 1.812======================= Grid point 51 (33/126) =======================q-point: (-0.45 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.791 ( 19.068 -20.992 -4.636) 28.736 3.407 ( 10.630 -2.912 0.385) 11.028 3.615 ( -2.187 7.211 -2.640) 7.985 3.683 ( -7.962 3.648 -2.452) 9.094 4.261 ( 17.022 -7.773 -9.471) 20.973 4.501 ( 3.445 -18.736 -3.501) 19.369 4.707 ( 0.880 0.172 -2.580) 2.731 4.835 ( -5.729 -7.669 -3.019) 10.037 5.683 ( 5.679 -8.455 -3.295) 10.705 6.289 ( -11.355 15.814 -3.115) 19.716 7.148 ( 5.784 0.911 0.122) 5.856 7.384 ( -8.514 -0.162 0.261) 8.520 8.144 ( 0.905 0.751 -1.287) 1.744 8.205 ( -1.054 0.470 -0.214) 1.174 8.545 ( 7.600 -8.082 12.696) 16.860 8.848 ( -0.814 1.511 8.772) 8.938 9.056 ( 4.943 -2.659 -12.886) 14.055 9.437 ( -9.989 10.529 -8.362) 16.750 10.828 ( 4.330 -4.535 3.891) 7.380 11.050 ( -3.261 3.468 2.848) 5.547 13.767 ( 0.955 0.381 4.521) 4.636 13.811 ( -2.727 -0.261 4.930) 5.640 14.436 ( 3.858 -5.325 6.173) 9.020 14.770 ( -8.262 5.339 5.210) 11.131 15.315 ( 3.323 -2.733 0.910) 4.398 15.501 ( -2.737 3.720 0.969) 4.719 16.115 ( -0.612 1.289 -2.478) 2.859 16.144 ( -3.672 -0.141 -2.163) 4.265 17.505 ( 7.806 -2.959 -4.340) 9.409 17.755 ( -3.106 5.250 -7.408) 9.597 20.184 ( 12.635 -14.063 10.521) 21.635 20.857 ( -10.407 10.838 8.445) 17.236 22.236 ( 2.100 -1.887 -6.301) 6.905 22.423 ( -3.853 5.721 -5.681) 8.936 24.683 ( 1.662 -0.489 -0.721) 1.876 24.733 ( -1.624 0.228 -0.710) 1.787======================= Grid point 52 (34/126) =======================q-point: (-0.36 0.36 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.459 ( 21.360 -21.360 -0.000) 30.208 3.329 ( 11.402 -11.402 -0.000) 16.125 3.648 ( 3.273 -3.273 -0.000) 4.629 3.750 ( -6.128 6.128 0.000) 8.667 3.989 ( 19.305 -19.305 -0.000) 27.301 4.203 ( 7.281 -7.281 -0.000) 10.297 4.720 ( 3.747 -3.747 -0.000) 5.299 4.723 ( 0.012 -0.012 -0.000) 0.017 5.583 ( 4.200 -4.200 -0.000) 5.940 6.457 ( -11.879 11.879 0.000) 16.799 7.158 ( 1.198 -1.198 -0.000) 1.695 7.398 ( -3.291 3.291 0.000) 4.654 8.144 ( -1.301 1.301 0.000) 1.840 8.213 ( -0.530 0.530 0.000) 0.750 8.545 ( 9.215 -9.215 -0.000) 13.031 8.900 ( 2.013 -2.013 -0.000) 2.847 8.908 ( 1.721 -1.721 -0.000) 2.434 9.542 ( -12.513 12.513 0.000) 17.696 10.801 ( 4.164 -4.164 -0.000) 5.888 11.114 ( -2.775 2.775 0.000) 3.924 13.803 ( 0.213 -0.213 -0.000) 0.301 13.854 ( -1.365 1.365 0.000) 1.931 14.423 ( 3.533 -3.533 -0.000) 4.997 14.884 ( -5.791 5.791 0.000) 8.190 15.288 ( 2.517 -2.517 -0.000) 3.559 15.560 ( -2.677 2.677 0.000) 3.785 16.115 ( -1.507 1.507 0.000) 2.132 16.142 ( -2.780 2.780 0.000) 3.931 17.417 ( 5.259 -5.259 -0.000) 7.438 17.754 ( -3.995 3.995 0.000) 5.649 20.084 ( 13.442 -13.442 -0.000) 19.010 21.060 ( -8.984 8.984 0.000) 12.706 22.163 ( 1.219 -1.219 -0.000) 1.724 22.459 ( -5.965 5.965 0.000) 8.435 24.668 ( 1.282 -1.282 -0.000) 1.814 24.734 ( -1.016 1.016 0.000) 1.437======================= Grid point 61 (35/126) =======================q-point: (-0.55 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.282 ( -0.223 -0.223 -3.095) 3.111 3.288 ( -0.461 -0.461 -4.083) 4.135 3.499 ( 3.036 3.036 1.123) 4.437 3.609 ( -4.198 -4.198 -6.666) 8.926 4.560 ( 5.186 5.186 -2.975) 7.915 4.597 ( 8.239 8.239 -3.316) 12.114 4.704 ( -5.161 -5.161 0.914) 7.356 4.845 ( -9.284 -9.284 -6.357) 14.588 5.931 ( -0.310 -0.310 -4.256) 4.278 5.933 ( -0.502 -0.502 -4.407) 4.464 7.228 ( 0.473 0.473 2.190) 2.290 7.278 ( -2.862 -2.862 -1.068) 4.186 8.158 ( 1.220 1.220 -0.729) 1.873 8.180 ( -0.452 -0.452 -2.290) 2.378 8.750 ( 0.567 0.567 15.584) 15.604 8.753 ( 0.415 0.415 12.814) 12.827 9.153 ( 3.486 3.486 -12.336) 13.285 9.237 ( -2.722 -2.722 -15.028) 15.513 10.943 ( 0.276 0.276 3.547) 3.569 10.950 ( -0.212 -0.212 3.104) 3.119 13.778 ( -0.104 -0.104 5.237) 5.239 13.788 ( -0.754 -0.754 4.777) 4.895 14.573 ( -0.168 -0.168 6.752) 6.757 14.601 ( -2.232 -2.232 4.912) 5.840 15.392 ( 1.460 1.460 2.064) 2.919 15.422 ( -0.708 -0.708 0.336) 1.056 16.104 ( -0.266 -0.266 -2.243) 2.274 16.118 ( -1.229 -1.229 -2.924) 3.401 17.627 ( 2.480 2.480 -5.166) 6.244 17.650 ( 0.820 0.820 -6.632) 6.733 20.520 ( 1.287 1.287 10.782) 10.935 20.559 ( -1.490 -1.490 8.404) 8.664 22.306 ( 0.708 0.708 -6.180) 6.261 22.314 ( 0.171 0.171 -6.486) 6.490 24.706 ( 0.236 0.236 -0.540) 0.635 24.712 ( -0.280 -0.280 -0.960) 1.038======================= Grid point 63 (36/126) =======================q-point: (-0.45 0.45 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.008 ( 18.802 -18.802 -0.000) 26.590 3.463 ( -13.491 13.491 0.000) 19.079 3.486 ( 2.241 -2.241 -0.000) 3.170 3.576 ( -3.885 3.885 0.000) 5.494 4.508 ( 11.549 -11.549 -0.000) 16.333 4.517 ( 13.956 -13.956 -0.000) 19.737 4.719 ( -1.711 1.711 0.000) 2.420 4.727 ( -3.407 3.407 0.000) 4.818 5.750 ( 8.796 -8.796 -0.000) 12.440 6.082 ( -14.576 14.576 0.000) 20.614 7.206 ( 2.657 -2.657 -0.000) 3.757 7.299 ( -3.825 3.825 0.000) 5.409 8.143 ( 0.875 -0.875 -0.000) 1.237 8.178 ( -1.531 1.531 0.000) 2.166 8.841 ( 12.026 -12.026 -0.000) 17.008 8.940 ( 0.903 -0.903 -0.000) 1.277 8.941 ( 0.615 -0.615 -0.000) 0.869 9.189 ( -13.139 13.139 0.000) 18.581 10.917 ( 4.236 -4.236 -0.000) 5.990 11.025 ( -3.684 3.684 0.000) 5.209 13.813 ( 0.442 -0.442 -0.000) 0.625 13.827 ( -0.684 0.684 0.000) 0.968 14.543 ( 5.362 -5.362 -0.000) 7.583 14.709 ( -6.612 6.612 0.000) 9.351 15.376 ( 3.626 -3.626 -0.000) 5.128 15.474 ( -3.509 3.509 0.000) 4.962 16.085 ( -0.548 0.548 0.000) 0.776 16.090 ( -1.015 1.015 0.000) 1.435 17.547 ( 4.287 -4.287 -0.000) 6.063 17.653 ( -3.659 3.659 0.000) 5.175 20.445 ( 12.991 -12.991 -0.000) 18.371 20.780 ( -11.492 11.492 0.000) 16.252 22.217 ( 2.796 -2.796 -0.000) 3.954 22.316 ( -4.490 4.490 0.000) 6.350 24.694 ( 0.724 -0.724 -0.000) 1.024 24.711 ( -0.658 0.658 0.000) 0.931======================= Grid point 137 (37/126) =======================q-point: ( 0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.460 ( 17.806 17.806 14.306) 28.962 2.099 ( 28.404 28.404 9.828) 41.354 2.893 ( 23.628 23.628 42.959) 54.425 3.713 ( 1.399 1.399 -6.457) 6.753 3.955 ( 4.360 4.360 3.559) 7.119 4.358 ( -0.477 -0.477 8.290) 8.317 4.435 ( 10.258 10.258 10.135) 17.696 5.129 ( -5.691 -5.691 14.165) 16.292 5.305 ( 1.669 1.669 -3.201) 3.977 6.899 ( -1.917 -1.917 5.934) 6.524 7.182 ( -0.438 -0.438 2.908) 2.974 7.512 ( -1.394 -1.394 1.257) 2.338 7.838 ( 1.912 1.912 -7.625) 8.090 8.332 ( -4.131 -4.131 -3.288) 6.704 8.380 ( -0.033 -0.033 -1.423) 1.423 8.697 ( 2.002 2.002 -5.191) 5.913 8.869 ( 7.244 7.244 3.706) 10.894 10.121 ( -6.062 -6.062 2.283) 8.871 10.446 ( 3.827 3.827 -5.963) 8.053 11.162 ( -1.431 -1.431 -3.254) 3.831 13.827 ( -2.620 -2.620 -8.395) 9.176 13.847 ( -3.158 -3.158 -6.067) 7.534 14.306 ( -8.873 -8.873 0.440) 12.556 14.989 ( -1.110 -1.110 -0.264) 1.591 15.249 ( -1.884 -1.884 -4.468) 5.202 15.726 ( -1.486 -1.486 5.406) 5.801 16.242 ( -1.399 -1.399 1.557) 2.518 16.346 ( -4.795 -4.795 -1.187) 6.885 17.129 ( 7.756 7.756 2.458) 11.241 18.181 ( 1.596 1.596 -3.880) 4.489 19.155 ( 5.102 5.102 -0.823) 7.262 21.226 ( -4.298 -4.298 -9.773) 11.509 22.296 ( 0.002 0.002 7.949) 7.949 22.722 ( 1.911 1.911 -2.269) 3.529 24.595 ( 1.341 1.341 1.438) 2.380 24.820 ( -1.242 -1.242 0.642) 1.870======================= Grid point 138 (38/126) =======================q-point: ( 0.18 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 16.423 14.947 14.365) 26.447 2.582 ( 23.796 20.623 10.577) 33.218 3.635 ( 4.233 0.248 -2.115) 4.738 3.857 ( 6.370 22.535 32.881) 40.368 4.018 ( 1.161 7.460 -3.053) 8.144 4.456 ( 4.644 -2.486 6.341) 8.244 4.802 ( 1.688 10.763 17.632) 20.726 5.272 ( -2.900 -5.446 15.852) 17.011 5.455 ( -2.829 8.084 12.169) 14.880 6.905 ( -0.892 -7.657 2.771) 8.192 7.146 ( -1.222 -3.667 -4.460) 5.902 7.495 ( -2.419 -0.363 -1.005) 2.644 7.721 ( 4.013 -0.355 -8.060) 9.011 8.205 ( 3.252 -5.150 -5.628) 8.293 8.382 ( -6.744 4.657 -2.509) 8.571 8.652 ( -0.370 3.119 -4.620) 5.587 9.073 ( 11.295 9.377 7.185) 16.344 10.070 ( -4.547 -8.282 4.069) 10.287 10.425 ( 0.738 3.531 -3.529) 5.047 11.072 ( -2.082 -2.523 -4.925) 5.913 13.636 ( -0.530 -5.000 -8.647) 10.002 13.711 ( -4.004 -0.832 -8.339) 9.288 14.120 ( -4.144 -9.662 -6.720) 12.478 14.858 ( -11.007 -3.155 -10.832) 15.762 15.262 ( 2.560 1.838 4.631) 5.602 15.768 ( -1.007 -4.256 5.101) 6.719 16.247 ( -0.077 -1.016 0.992) 1.422 16.302 ( -6.496 -0.631 -0.183) 6.529 17.233 ( 16.763 1.822 2.576) 17.057 18.168 ( 1.071 9.379 -6.581) 11.507 19.243 ( 0.886 2.711 4.796) 5.580 20.984 ( -6.457 -6.228 -12.075) 15.043 22.428 ( 0.537 0.485 8.332) 8.364 22.732 ( 1.581 0.043 1.135) 1.946 24.635 ( 1.493 1.712 1.034) 2.496 24.816 ( -1.109 -0.922 0.697) 1.602======================= Grid point 139 (39/126) =======================q-point: ( 0.27 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 16.976 10.520 12.193) 23.400 2.956 ( 13.959 13.785 6.039) 20.527 3.624 ( 6.908 2.088 -0.208) 7.220 3.989 ( -4.333 4.911 -4.230) 7.797 4.427 ( 8.638 -6.009 5.420) 11.836 4.636 ( -0.577 14.752 19.844) 24.733 5.211 ( -4.736 8.441 17.129) 19.674 5.483 ( -7.599 -0.479 14.825) 16.666 5.806 ( 0.677 10.839 15.376) 18.824 6.774 ( -1.228 -10.580 -2.663) 10.979 6.992 ( -0.522 -5.107 -5.724) 7.689 7.470 ( 1.498 -0.455 -2.092) 2.613 7.609 ( 4.230 0.342 -6.090) 7.423 8.032 ( 8.344 -4.390 -7.498) 12.046 8.401 ( -7.325 3.780 -3.073) 8.797 8.652 ( -3.969 3.746 -1.749) 5.731 9.306 ( 12.027 8.843 5.737) 15.993 10.029 ( -3.120 -7.492 4.962) 9.512 10.431 ( -1.340 2.245 -0.920) 2.772 10.950 ( -3.361 -2.987 -5.585) 7.170 13.448 ( -0.096 -4.491 -6.813) 8.161 13.584 ( -4.184 -0.511 -6.574) 7.809 13.884 ( -0.164 -7.102 -7.751) 10.514 14.651 ( -15.922 -1.835 -10.328) 19.067 15.379 ( 3.423 2.041 6.129) 7.311 15.770 ( 0.445 -4.449 3.048) 5.412 16.239 ( -1.216 -1.042 0.022) 1.602 16.308 ( -5.789 0.725 0.195) 5.838 17.263 ( 23.203 -0.591 0.810) 23.225 18.241 ( -1.344 11.009 -2.853) 11.452 19.358 ( -0.254 1.992 5.593) 5.942 20.710 ( -8.696 -6.912 -11.097) 15.702 22.550 ( 1.370 0.606 6.263) 6.440 22.746 ( 1.144 -0.927 1.344) 1.993 24.673 ( 1.394 1.761 0.793) 2.382 24.814 ( -0.648 -0.861 0.467) 1.175======================= Grid point 140 (40/126) =======================q-point: ( 0.36 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.531 ( 19.968 4.044 5.497) 21.102 3.112 ( 2.942 3.499 0.194) 4.575 3.674 ( 9.970 2.331 0.840) 10.273 4.040 ( -4.262 6.313 0.088) 7.618 4.343 ( 8.971 -7.340 -0.461) 11.600 4.995 ( -5.299 4.505 7.846) 10.485 5.507 ( -9.339 4.070 8.713) 13.405 5.632 ( -11.238 -0.399 4.130) 11.980 6.150 ( 4.556 7.292 9.508) 12.819 6.605 ( -2.808 -6.164 -2.216) 7.126 6.858 ( 1.146 -2.092 -4.465) 5.062 7.439 ( 8.069 -0.802 0.200) 8.111 7.540 ( 2.392 0.049 -3.362) 4.127 7.894 ( 10.953 -1.674 -3.877) 11.738 8.397 ( -6.592 1.347 -1.576) 6.911 8.679 ( -6.307 1.623 -0.199) 6.516 9.453 ( 10.917 3.694 1.703) 11.651 10.020 ( -1.163 -2.915 2.739) 4.165 10.451 ( -1.663 0.802 0.469) 1.905 10.845 ( -5.395 -1.572 -3.052) 6.395 13.327 ( 0.149 -1.965 -2.674) 3.321 13.508 ( -4.482 -0.225 -2.494) 5.134 13.728 ( 1.636 -2.478 -3.294) 4.434 14.520 ( -17.734 -0.569 -4.060) 18.202 15.477 ( 3.200 1.108 2.966) 4.502 15.751 ( 2.270 -2.070 0.753) 3.163 16.226 ( -1.071 -0.402 -0.203) 1.162 16.317 ( -6.322 0.268 -0.025) 6.328 17.260 ( 25.414 -0.329 0.049) 25.416 18.336 ( -2.081 4.779 -0.248) 5.218 19.450 ( -0.079 1.232 2.706) 2.974 20.501 ( -10.500 -3.565 -5.025) 12.174 22.625 ( 2.166 0.345 2.434) 3.276 22.748 ( 0.667 -0.583 0.387) 0.967 24.701 ( 1.278 0.873 0.325) 1.582 24.808 ( -0.317 -0.484 0.149) 0.598======================= Grid point 146 (41/126) =======================q-point: (-0.09 0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 22.090 0.000 -0.000) 22.090 0.876 ( 32.605 0.000 -0.000) 32.605 1.927 ( 68.125 0.000 -0.000) 68.125 3.593 ( 6.213 0.000 -0.000) 6.213 4.047 ( 18.578 0.000 -0.000) 18.578 4.116 ( 1.287 0.000 -0.000) 1.287 4.237 ( -5.375 -0.000 0.000) 5.375 5.073 ( 1.644 0.000 -0.000) 1.644 5.561 ( -18.844 -0.000 0.000) 18.844 6.742 ( 0.205 0.000 -0.000) 0.205 6.992 ( 7.747 0.000 -0.000) 7.747 7.526 ( 5.454 0.000 -0.000) 5.454 7.865 ( 0.831 0.000 -0.000) 0.831 8.372 ( 1.641 0.000 -0.000) 1.641 8.553 ( -2.527 -0.000 0.000) 2.527 8.714 ( -5.950 -0.000 0.000) 5.950 8.768 ( 3.836 0.000 -0.000) 3.836 10.168 ( -7.671 -0.000 0.000) 7.671 10.583 ( 2.387 0.000 -0.000) 2.387 11.225 ( -0.787 -0.000 0.000) 0.787 13.869 ( -4.904 -0.000 0.000) 4.904 14.065 ( -0.331 -0.000 0.000) 0.331 14.193 ( 2.864 0.000 -0.000) 2.864 14.931 ( 3.060 0.000 -0.000) 3.060 15.433 ( -1.573 -0.000 0.000) 1.573 15.617 ( -1.543 -0.000 0.000) 1.543 16.217 ( -1.587 -0.000 0.000) 1.587 16.679 ( -0.342 -0.000 0.000) 0.342 16.729 ( -0.840 -0.000 0.000) 0.840 18.220 ( -11.600 -0.000 0.000) 11.600 19.180 ( 17.499 0.000 -0.000) 17.499 21.442 ( -2.773 -0.000 0.000) 2.773 22.171 ( 0.071 0.000 -0.000) 0.071 22.877 ( -9.152 -0.000 0.000) 9.152 24.514 ( 2.641 0.000 -0.000) 2.641 24.851 ( -0.280 -0.000 0.000) 0.280======================= Grid point 149 (42/126) =======================q-point: ( 0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.325 ( 14.391 14.391 13.117) 24.213 2.979 ( 16.175 16.175 5.481) 23.522 3.681 ( 4.185 4.185 2.103) 6.281 3.896 ( 0.417 0.417 -7.872) 7.894 4.493 ( 9.233 9.233 26.572) 29.607 4.575 ( 2.199 2.199 1.772) 3.579 5.105 ( 1.416 1.416 18.989) 19.094 5.429 ( -9.442 -9.442 15.178) 20.215 5.734 ( 8.599 8.599 17.403) 21.230 6.841 ( -7.639 -7.639 -2.825) 11.166 7.033 ( 0.121 0.121 -9.249) 9.251 7.452 ( -1.279 -1.279 -0.215) 1.821 7.662 ( 2.970 2.970 -5.283) 6.750 8.206 ( 0.147 0.147 -1.815) 1.827 8.240 ( 0.843 0.843 -7.038) 7.139 8.587 ( 0.219 0.219 -3.163) 3.178 9.330 ( 11.927 11.927 4.904) 17.566 10.063 ( -6.311 -6.311 4.857) 10.161 10.404 ( -0.037 -0.037 0.393) 0.397 10.947 ( -3.499 -3.499 -6.324) 8.030 13.495 ( -2.598 -2.598 -6.811) 7.739 13.543 ( -2.661 -2.661 -6.823) 7.792 13.949 ( -5.879 -5.879 -5.893) 10.191 14.535 ( -8.377 -8.377 -11.767) 16.697 15.389 ( 2.857 2.857 6.034) 7.262 15.805 ( -2.583 -2.583 2.913) 4.672 16.240 ( -2.281 -2.281 0.091) 3.227 16.260 ( -0.404 -0.404 0.253) 0.625 17.471 ( 9.753 9.753 3.737) 14.290 18.109 ( 9.082 9.082 -8.454) 15.376 19.349 ( -1.057 -1.057 8.476) 8.607 20.694 ( -8.501 -8.501 -11.790) 16.839 22.555 ( 1.061 1.061 6.458) 6.630 22.761 ( 0.445 0.445 0.660) 0.912 24.670 ( 1.826 1.826 0.667) 2.667 24.815 ( -0.816 -0.816 0.671) 1.335======================= Grid point 150 (43/126) =======================q-point: ( 0.27 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.681 ( 15.580 10.632 10.387) 21.533 3.166 ( 10.688 4.000 0.574) 11.426 3.760 ( 5.079 1.596 -1.680) 5.583 3.872 ( -0.815 9.261 1.612) 9.435 4.550 ( 6.736 -4.213 -2.583) 8.355 4.884 ( -1.645 3.861 12.142) 12.846 5.372 ( -5.411 -0.547 12.330) 13.476 5.488 ( -14.436 -6.192 6.672) 17.066 6.115 ( 6.629 8.179 14.396) 17.835 6.662 ( -3.815 -6.741 -6.286) 9.976 6.902 ( 3.387 0.871 -7.103) 7.917 7.447 ( -2.327 -0.333 0.359) 2.378 7.650 ( 9.109 1.991 -0.793) 9.358 8.078 ( 9.597 -4.069 -3.998) 11.164 8.261 ( -6.099 5.569 -2.508) 8.631 8.565 ( -5.309 0.917 -1.139) 5.507 9.518 ( 12.732 10.281 -0.717) 16.380 10.053 ( -3.491 -5.252 3.979) 7.457 10.434 ( -1.947 -1.698 4.661) 5.329 10.798 ( -5.796 -3.514 -5.836) 8.944 13.371 ( -0.216 -4.023 -2.690) 4.845 13.446 ( -4.851 -0.493 -3.004) 5.727 13.807 ( -0.502 -5.891 -1.391) 6.074 14.317 ( -13.831 -3.579 -5.439) 15.287 15.499 ( 3.467 2.529 2.863) 5.159 15.792 ( -0.415 -2.037 -0.227) 2.091 16.220 ( -1.306 -1.184 0.318) 1.792 16.254 ( -2.716 -0.196 -0.429) 2.757 17.587 ( 20.474 1.775 1.641) 20.617 18.172 ( 1.138 14.171 -5.252) 15.156 19.461 ( -0.593 -2.043 8.598) 8.857 20.423 ( -11.332 -7.750 -7.866) 15.823 22.643 ( 1.729 1.046 2.876) 3.515 22.761 ( 0.597 -0.031 -0.917) 1.094 24.703 ( 1.716 1.738 0.312) 2.462 24.811 ( -0.543 -0.719 0.181) 0.919======================= Grid point 151 (44/126) =======================q-point: (-0.64 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.875 ( 22.442 -0.075 1.921) 22.524 3.162 ( 3.865 -1.107 1.089) 4.165 3.766 ( -0.380 3.283 -1.237) 3.528 4.034 ( 3.040 3.103 2.167) 4.854 4.433 ( 8.634 -1.572 -3.514) 9.453 4.971 ( -4.354 -2.498 -1.511) 5.242 5.387 ( -14.265 -4.333 -3.470) 15.307 5.497 ( -10.980 -3.295 0.089) 11.464 6.287 ( 4.470 -1.680 -2.425) 5.356 6.514 ( -1.510 1.527 -4.599) 5.076 6.884 ( 5.813 2.490 1.763) 6.565 7.447 ( -3.208 -0.412 0.423) 3.262 7.681 ( 13.652 -0.250 3.023) 13.985 8.028 ( 9.506 -0.246 1.698) 9.660 8.301 ( -5.680 2.738 0.470) 6.323 8.566 ( -9.375 0.827 -0.233) 9.414 9.584 ( 11.507 6.414 -5.313) 14.205 10.020 ( -0.957 -3.468 -1.500) 3.898 10.467 ( -0.994 -4.521 4.132) 6.205 10.735 ( -7.869 0.852 1.800) 8.117 13.327 ( 0.234 -1.580 2.457) 2.931 13.438 ( -5.056 0.165 2.243) 5.534 13.769 ( 2.364 -3.474 5.013) 6.541 14.278 ( -16.272 -0.153 3.522) 16.650 15.527 ( 3.784 0.912 -2.600) 4.681 15.751 ( 0.208 0.396 -3.370) 3.399 16.211 ( -0.914 -0.438 -0.152) 1.025 16.253 ( -3.642 -0.078 0.612) 3.694 17.600 ( 23.570 -0.189 -0.715) 23.582 18.266 ( -2.477 8.977 -4.730) 10.445 19.528 ( 2.429 -6.190 6.250) 9.126 20.304 ( -13.943 -0.317 1.477) 14.025 22.660 ( 2.342 0.019 -2.047) 3.111 22.742 ( 0.303 1.059 -2.049) 2.326 24.722 ( 1.589 0.730 -0.249) 1.767 24.802 ( -0.447 -0.297 -0.378) 0.656======================= Grid point 152 (45/126) =======================q-point: (-0.55 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.724 ( 22.227 -13.232 -5.917) 26.536 3.204 ( 7.500 -0.851 2.094) 7.833 3.772 ( 5.614 -1.603 -1.866) 6.129 3.962 ( -4.004 -5.326 -2.423) 7.090 4.473 ( 9.903 7.397 -1.045) 12.405 4.789 ( -0.892 -9.059 -11.321) 14.527 5.212 ( -9.680 -3.255 -12.371) 16.042 5.349 ( -11.666 -6.260 -10.099) 16.652 6.029 ( 5.908 -11.542 -13.916) 19.021 6.578 ( -3.736 11.276 -1.734) 12.004 6.979 ( 4.971 2.762 4.961) 7.547 7.454 ( -4.087 -0.382 0.978) 4.220 7.738 ( 11.601 -2.616 7.136) 13.869 8.099 ( 7.687 2.290 4.452) 9.173 8.339 ( -5.698 -0.565 2.111) 6.103 8.589 ( -8.026 1.020 1.896) 8.310 9.524 ( 10.491 0.078 -8.956) 13.794 9.926 ( -2.814 1.091 -6.631) 7.286 10.467 ( -0.044 -4.992 5.432) 7.378 10.846 ( -5.384 3.578 6.615) 9.249 13.404 ( 0.206 1.874 6.922) 7.174 13.513 ( -4.852 0.536 6.539) 8.160 13.861 ( 2.334 -0.671 10.205) 10.490 14.408 ( -15.207 2.287 10.926) 18.864 15.450 ( 3.693 -1.272 -6.382) 7.482 15.710 ( -1.160 3.370 -5.272) 6.364 16.206 ( -1.401 0.435 -0.477) 1.543 16.261 ( -2.883 -0.112 0.267) 2.897 17.566 ( 20.861 -0.753 -2.969) 21.085 18.260 ( -3.178 2.620 -5.783) 7.100 19.485 ( 4.689 -11.129 4.967) 13.058 20.461 ( -12.833 7.654 10.590) 18.314 22.585 ( 2.117 -0.993 -6.380) 6.795 22.728 ( -0.016 2.462 -3.151) 3.999 24.712 ( 1.586 -0.805 -0.887) 1.988 24.795 ( -0.669 0.497 -0.749) 1.120======================= Grid point 153 (46/126) =======================q-point: (-0.45 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.399 ( 21.112 -18.742 -7.553) 29.224 3.116 ( 18.685 -11.905 -2.767) 22.328 3.690 ( 4.658 -1.305 -1.808) 5.165 3.928 ( -7.127 1.114 -2.890) 7.771 4.320 ( 8.486 -16.870 -18.598) 26.505 4.547 ( 8.915 -0.999 -4.187) 9.900 4.935 ( -0.925 -7.409 -13.043) 15.029 5.093 ( -11.961 1.470 -15.837) 19.901 5.653 ( 7.344 -12.102 -11.632) 18.322 6.714 ( -7.043 11.498 -2.276) 13.675 7.104 ( 3.755 5.209 3.832) 7.478 7.456 ( -4.935 -1.081 0.695) 5.099 7.827 ( 7.925 -4.190 10.356) 13.697 8.190 ( 2.898 3.140 1.771) 4.625 8.348 ( -4.788 -2.009 1.857) 5.514 8.654 ( -2.853 0.139 5.303) 6.023 9.316 ( 9.054 -5.696 -11.848) 15.962 9.889 ( -5.793 7.303 -5.903) 11.033 10.500 ( 2.286 -4.746 7.277) 8.984 10.994 ( -3.369 3.416 5.962) 7.653 13.569 ( 0.004 3.957 8.727) 9.583 13.637 ( -4.768 0.643 8.069) 9.394 14.035 ( 0.704 0.761 11.414) 11.461 14.650 ( -11.313 4.708 13.491) 18.225 15.326 ( 2.884 -2.100 -6.031) 7.007 15.680 ( -2.628 4.516 -5.652) 7.697 16.209 ( -1.787 1.614 -0.786) 2.533 16.251 ( -2.218 -0.298 -1.235) 2.556 17.481 ( 14.461 -3.160 -4.902) 15.593 18.189 ( -3.217 1.896 -6.811) 7.768 19.421 ( 7.908 -12.580 8.630) 17.183 20.768 ( -9.963 8.990 13.118) 18.766 22.452 ( 1.435 -1.134 -8.696) 8.886 22.710 ( -0.950 3.035 -3.998) 5.109 24.680 ( 1.729 -1.439 -1.107) 2.507 24.790 ( -1.103 0.720 -1.049) 1.684======================= Grid point 154 (47/126) =======================q-point: (-0.36 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 21.399 -21.399 -7.966) 31.294 2.829 ( 24.137 -24.137 -3.278) 34.292 3.529 ( 21.275 -21.275 -28.410) 41.381 3.715 ( -0.855 0.855 3.839) 4.025 3.999 ( 0.051 -0.051 -5.590) 5.590 4.406 ( 3.761 -3.761 -9.631) 11.002 4.670 ( 7.183 -7.183 -8.201) 13.056 4.944 ( -7.439 7.439 -12.426) 16.282 5.419 ( 6.733 -6.733 -0.239) 9.525 6.787 ( -6.686 6.686 -4.480) 10.463 7.182 ( -0.312 0.312 -0.547) 0.703 7.466 ( -2.007 2.007 0.235) 2.848 7.931 ( 5.211 -5.211 11.064) 13.294 8.234 ( -2.858 2.858 -0.154) 4.044 8.365 ( -0.930 0.930 1.304) 1.852 8.739 ( 0.940 -0.940 5.972) 6.118 9.055 ( 6.356 -6.356 -10.451) 13.785 9.924 ( -8.264 8.264 -3.944) 12.335 10.553 ( 4.156 -4.156 7.411) 9.459 11.111 ( -2.334 2.334 4.048) 5.223 13.756 ( -2.982 2.982 4.927) 6.485 13.758 ( -2.342 2.342 8.470) 9.094 14.200 ( -0.388 0.388 8.325) 8.343 14.900 ( -5.311 5.311 8.205) 11.124 15.238 ( 1.069 -1.069 -1.390) 2.053 15.658 ( -3.190 3.190 -4.201) 6.164 16.220 ( -0.741 0.741 -2.416) 2.634 16.237 ( -3.251 3.251 -0.056) 4.598 17.336 ( 7.415 -7.415 -4.272) 11.323 18.109 ( -4.717 4.717 -9.498) 11.607 19.418 ( 12.442 -12.442 13.160) 21.972 21.070 ( -7.237 7.237 11.124) 15.116 22.304 ( 0.639 -0.639 -8.519) 8.567 22.695 ( -2.997 2.997 -3.015) 5.201 24.641 ( 1.802 -1.802 -1.038) 2.751 24.786 ( -1.222 1.222 -1.023) 2.008======================= Grid point 156 (48/126) =======================q-point: (-0.18 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.311 ( 16.415 -43.915 -0.000) 46.883 1.403 ( 28.607 -17.439 -0.000) 33.504 2.826 ( 61.120 -1.591 -0.000) 61.141 3.740 ( 7.252 -4.441 -0.000) 8.503 4.098 ( 4.190 3.591 -0.000) 5.518 4.110 ( -4.291 4.653 0.000) 6.330 4.372 ( 17.456 -3.959 -0.000) 17.899 4.980 ( -0.602 11.452 0.000) 11.468 5.436 ( -11.786 -9.595 0.000) 15.198 6.765 ( -0.269 -1.969 -0.000) 1.987 7.011 ( -3.209 0.373 0.000) 3.231 7.558 ( 5.891 5.827 0.000) 8.286 7.951 ( 2.445 -7.980 -0.000) 8.346 8.388 ( 0.513 1.160 0.000) 1.268 8.441 ( -1.184 8.078 0.000) 8.164 8.710 ( -3.085 -6.543 -0.000) 7.234 8.826 ( 3.377 -0.855 -0.000) 3.483 10.026 ( -10.795 2.523 0.000) 11.086 10.630 ( 3.292 -1.195 -0.000) 3.502 11.207 ( -1.388 0.548 0.000) 1.492 13.808 ( -3.630 -0.112 0.000) 3.632 14.020 ( -0.127 4.773 0.000) 4.775 14.262 ( 2.672 -3.352 -0.000) 4.287 14.980 ( 3.004 -0.620 -0.000) 3.067 15.370 ( -2.222 4.470 0.000) 4.992 15.607 ( -2.232 -1.688 0.000) 2.799 16.186 ( -2.398 0.547 0.000) 2.460 16.478 ( -0.141 13.652 0.000) 13.652 16.946 ( -0.114 -17.017 -0.000) 17.017 18.036 ( -9.521 4.417 0.000) 10.496 19.458 ( 17.167 -5.176 -0.000) 17.930 21.376 ( -4.788 2.210 0.000) 5.273 22.164 ( 0.153 0.998 0.000) 1.010 22.737 ( -10.548 0.737 0.000) 10.574 24.560 ( 2.051 -1.628 -0.000) 2.619 24.831 ( -0.085 2.253 0.000) 2.255======================= Grid point 157 (49/126) =======================q-point: (-0.09 0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.014 ( 18.165 -0.000 13.373) 22.557 1.521 ( 28.525 -0.000 22.813) 36.526 2.912 ( 57.864 -0.000 13.085) 59.325 3.699 ( 8.355 -0.000 -1.398) 8.471 4.119 ( -4.548 0.000 1.872) 4.919 4.203 ( -1.227 0.000 3.057) 3.294 4.358 ( 23.307 -0.000 4.092) 23.663 5.178 ( 3.337 0.000 9.424) 9.998 5.240 ( -8.320 0.000 -8.440) 11.851 6.745 ( -2.384 0.000 1.222) 2.679 7.105 ( -6.002 0.000 8.490) 10.398 7.597 ( 5.689 -0.000 -2.471) 6.202 7.838 ( 0.971 -0.000 -5.045) 5.137 8.389 ( -0.076 -0.000 -2.000) 2.002 8.530 ( 1.058 -0.000 1.590) 1.910 8.651 ( -2.885 0.000 1.191) 3.122 8.805 ( 4.081 -0.000 -1.736) 4.435 10.050 ( -10.296 0.000 1.069) 10.351 10.572 ( 5.071 -0.000 -5.673) 7.609 11.198 ( -1.509 0.000 -1.728) 2.294 13.816 ( -6.463 0.000 -0.534) 6.485 14.017 ( -0.480 -0.000 -5.355) 5.377 14.249 ( -1.434 0.000 1.596) 2.146 14.994 ( 3.174 -0.000 2.562) 4.079 15.382 ( -2.172 0.000 -3.454) 4.080 15.609 ( -3.106 0.000 2.600) 4.050 16.204 ( -2.195 0.000 1.643) 2.742 16.653 ( -0.404 -0.000 -2.550) 2.582 16.734 ( -0.034 0.000 1.104) 1.105 18.142 ( -9.740 0.000 8.213) 12.741 19.329 ( 18.163 -0.000 -10.479) 20.969 21.353 ( -4.643 0.000 -5.003) 6.825 22.208 ( 0.103 0.000 4.590) 4.591 22.714 ( -6.529 0.000 -2.559) 7.013 24.563 ( 1.666 -0.000 1.666) 2.356 24.843 ( -0.267 -0.000 -0.506) 0.572======================= Grid point 161 (50/126) =======================q-point: ( 0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.011 ( 10.954 10.954 8.425) 17.634 3.282 ( 4.154 4.154 0.139) 5.877 3.656 ( 0.663 0.663 -6.826) 6.890 4.044 ( 4.752 4.752 7.220) 9.863 4.531 ( 2.148 2.148 -7.191) 7.806 4.951 ( -2.959 -2.959 1.262) 4.371 5.318 ( -11.056 -11.056 -3.195) 15.958 5.431 ( -6.675 -6.675 4.072) 10.281 6.317 ( 3.683 3.683 1.277) 5.363 6.507 ( -2.095 -2.095 -8.571) 9.068 6.913 ( 5.924 5.924 0.540) 8.395 7.422 ( -2.838 -2.838 0.631) 4.063 7.801 ( 7.662 7.662 4.344) 11.674 8.129 ( 2.744 2.744 -0.960) 3.997 8.204 ( 0.597 0.597 1.379) 1.617 8.477 ( -5.191 -5.191 -0.709) 7.375 9.615 ( 10.539 10.539 -7.300) 16.596 10.043 ( -2.790 -2.790 -1.068) 4.088 10.517 ( -2.598 -2.598 9.320) 10.018 10.649 ( -5.054 -5.054 -1.658) 7.337 13.365 ( -1.786 -1.786 2.918) 3.859 13.378 ( -2.166 -2.166 1.583) 3.448 13.832 ( -1.718 -1.718 6.425) 6.869 14.144 ( -7.615 -7.615 2.624) 11.084 15.548 ( 3.115 3.115 -2.467) 5.049 15.749 ( -0.772 -0.772 -4.363) 4.497 16.217 ( -1.097 -1.097 -0.735) 1.716 16.219 ( -1.062 -1.062 1.292) 1.981 17.818 ( 10.036 10.036 -0.449) 14.200 18.128 ( 6.552 6.552 -6.820) 11.505 19.607 ( -0.497 -0.497 11.196) 11.218 20.193 ( -9.961 -9.961 -1.695) 14.188 22.678 ( 1.463 1.463 -1.218) 2.400 22.734 ( 0.448 0.448 -3.428) 3.486 24.727 ( 1.573 1.573 -0.195) 2.234 24.802 ( -0.588 -0.588 -0.482) 0.961======================= Grid point 162 (51/126) =======================q-point: (-0.64 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.185 ( 18.780 -7.181 0.202) 20.107 3.254 ( 5.413 1.502 2.876) 6.311 3.668 ( -5.459 10.537 -3.495) 12.371 4.080 ( -1.830 -8.509 -2.031) 8.937 4.486 ( 8.375 7.331 -3.386) 11.634 4.858 ( -3.212 -4.665 -6.108) 8.330 5.118 ( -7.680 -4.307 -9.039) 12.619 5.321 ( -9.336 -8.214 -5.138) 13.455 6.232 ( 5.471 -6.413 -10.668) 13.596 6.398 ( -3.712 7.348 -7.527) 11.155 7.025 ( 6.699 3.458 3.822) 8.452 7.390 ( -6.143 -2.132 0.118) 6.503 7.947 ( 13.036 0.143 7.026) 14.809 8.170 ( 5.482 0.674 2.995) 6.283 8.271 ( -2.708 2.039 3.004) 4.529 8.434 ( -10.517 0.180 1.637) 10.645 9.596 ( 8.757 7.136 -10.482) 15.411 9.912 ( -3.305 -3.706 -9.442) 10.668 10.569 ( 2.414 -7.237 8.193) 11.195 10.711 ( -7.029 3.613 7.919) 11.188 13.405 ( 0.311 -1.351 6.914) 7.052 13.447 ( -3.802 0.335 6.856) 7.847 13.940 ( 3.226 -3.748 12.084) 13.057 14.197 ( -11.771 0.018 10.675) 15.891 15.508 ( 3.885 0.930 -6.300) 7.460 15.656 ( -2.081 0.774 -6.843) 7.194 16.196 ( -0.331 -0.470 -0.615) 0.842 16.228 ( -1.905 -0.083 0.382) 1.945 17.833 ( 16.210 0.056 -5.049) 16.978 18.127 ( -2.915 8.642 -8.586) 12.526 19.733 ( 7.793 -9.517 11.825) 17.063 20.181 ( -15.032 3.123 8.458) 17.529 22.631 ( 2.614 -0.824 -5.822) 6.435 22.687 ( -0.785 2.546 -5.033) 5.694 24.735 ( 1.509 0.552 -0.800) 1.795 24.783 ( -0.726 -0.207 -1.048) 1.291======================= Grid point 163 (52/126) =======================q-point: (-0.55 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.943 ( 20.211 -18.149 -4.225) 27.491 3.348 ( 6.891 1.005 2.592) 7.430 3.745 ( -2.530 6.724 -3.441) 7.966 3.859 ( -1.933 -7.933 -6.772) 10.608 4.541 ( 7.796 1.886 -5.335) 9.633 4.670 ( 2.219 -4.671 -6.801) 8.544 4.917 ( -2.377 -1.421 -11.880) 12.198 5.067 ( -6.143 -10.015 -10.610) 15.831 5.917 ( 7.726 -11.013 -12.147) 18.125 6.440 ( -8.105 12.622 -5.613) 16.016 7.110 ( 5.052 2.264 2.726) 6.171 7.377 ( -7.710 -0.138 0.104) 7.712 8.033 ( 11.167 -5.448 9.749) 15.793 8.201 ( 2.491 0.400 -0.205) 2.531 8.313 ( -2.781 -0.763 2.284) 3.679 8.558 ( -6.514 4.711 7.783) 11.189 9.468 ( 7.239 -0.451 -13.271) 15.123 9.736 ( -6.036 2.702 -9.883) 11.892 10.616 ( 4.038 -5.785 9.056) 11.479 10.888 ( -4.663 4.171 7.351) 9.652 13.534 ( 0.326 1.517 9.150) 9.281 13.574 ( -3.547 0.153 8.798) 9.487 14.090 ( 3.672 -3.804 13.847) 14.822 14.434 ( -10.456 4.807 14.513) 18.522 15.397 ( 3.500 -1.891 -6.394) 7.530 15.583 ( -3.392 3.466 -6.136) 7.821 16.180 ( -0.435 0.377 -1.322) 1.442 16.222 ( -1.938 0.377 -1.575) 2.525 17.707 ( 11.986 -3.627 -7.417) 14.554 18.077 ( -4.357 6.031 -10.738) 13.064 19.747 ( 11.513 -14.684 13.871) 23.250 20.474 ( -13.152 10.770 14.023) 22.037 22.498 ( 2.412 -1.763 -8.710) 9.209 22.641 ( -2.054 3.666 -6.498) 7.738 24.717 ( 1.491 -0.737 -1.208) 2.055 24.768 ( -0.971 0.477 -1.291) 1.684======================= Grid point 164 (53/126) =======================q-point: (-0.45 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.590 ( 21.341 -21.341 -6.088) 30.789 3.321 ( 10.391 -10.391 0.881) 14.722 3.713 ( 0.973 -0.973 -1.087) 1.754 3.764 ( -3.047 3.047 -6.450) 7.757 4.237 ( 16.499 -16.499 -13.658) 27.037 4.515 ( 3.359 -3.359 -12.757) 13.613 4.783 ( -2.682 2.682 -6.180) 7.251 4.818 ( 3.550 -3.550 -6.917) 8.547 5.636 ( 8.499 -8.499 -5.711) 13.307 6.536 ( -11.418 11.418 -4.187) 16.682 7.166 ( -0.362 0.362 0.816) 0.963 7.395 ( -3.347 3.347 0.111) 4.734 8.105 ( 6.681 -6.681 10.171) 13.883 8.185 ( -0.703 0.703 -2.010) 2.243 8.345 ( 0.166 -0.166 3.164) 3.173 8.734 ( -1.656 1.656 8.477) 8.795 9.210 ( 5.066 -5.066 -13.676) 15.439 9.689 ( -8.585 8.585 -7.353) 14.194 10.674 ( 4.751 -4.751 7.610) 10.151 11.034 ( -3.301 3.301 4.979) 6.825 13.697 ( -1.392 1.392 6.630) 6.916 13.705 ( -1.471 1.471 8.691) 8.936 14.241 ( 3.081 -3.081 11.340) 12.148 14.725 ( -7.156 7.156 11.392) 15.238 15.291 ( 2.557 -2.557 -2.860) 4.611 15.563 ( -3.685 3.685 -2.986) 6.005 16.171 ( -1.603 1.603 -1.432) 2.681 16.193 ( -1.180 1.180 -3.173) 3.586 17.528 ( 6.680 -6.680 -6.342) 11.378 17.976 ( -4.873 4.873 -11.605) 13.496 19.781 ( 13.861 -13.861 15.565) 25.031 20.832 ( -10.233 10.233 12.722) 19.269 22.334 ( 1.637 -1.637 -9.038) 9.330 22.593 ( -4.170 4.170 -6.542) 8.807 24.685 ( 1.348 -1.348 -1.012) 2.159 24.756 ( -0.924 0.924 -1.279) 1.829======================= Grid point 166 (54/126) =======================q-point: (-0.27 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.947 ( 27.128 -15.485 -0.000) 31.236 2.233 ( 10.281 -53.737 -0.000) 54.712 3.541 ( 34.268 1.369 -0.000) 34.295 3.863 ( 12.080 -0.164 -0.000) 12.081 3.991 ( -1.343 7.891 0.000) 8.005 4.144 ( 5.767 -2.409 -0.000) 6.250 4.621 ( 12.829 1.076 -0.000) 12.874 4.852 ( 4.303 7.321 0.000) 8.492 5.461 ( -0.795 -6.840 -0.000) 6.886 6.697 ( -8.707 6.290 0.000) 10.741 6.973 ( -7.884 -9.266 -0.000) 12.166 7.549 ( 4.797 6.175 0.000) 7.820 8.096 ( 1.316 -7.045 -0.000) 7.167 8.299 ( -0.055 6.815 0.000) 6.815 8.421 ( 3.837 0.443 -0.000) 3.862 8.777 ( -0.535 -6.329 -0.000) 6.352 8.881 ( 2.815 -0.889 -0.000) 2.952 9.805 ( -13.081 6.183 0.000) 14.468 10.705 ( 3.921 -2.556 -0.000) 4.680 11.170 ( -2.152 1.390 0.000) 2.561 13.779 ( -1.665 -0.940 0.000) 1.912 13.952 ( 0.305 5.015 0.000) 5.024 14.344 ( 3.328 -2.864 -0.000) 4.391 15.005 ( 0.572 1.954 0.000) 2.036 15.284 ( -1.097 3.168 0.000) 3.352 15.589 ( -3.090 -0.617 0.000) 3.151 16.141 ( -2.501 0.893 0.000) 2.656 16.319 ( 0.179 10.045 0.000) 10.047 17.163 ( 0.923 -13.967 -0.000) 13.998 17.863 ( -7.285 3.938 0.000) 8.281 19.775 ( 15.800 -8.320 -0.000) 17.857 21.247 ( -7.424 4.734 0.000) 8.805 22.155 ( 0.472 0.628 0.000) 0.786 22.578 ( -9.621 2.148 0.000) 9.858 24.608 ( 0.983 -2.350 -0.000) 2.547 24.795 ( 0.114 2.886 0.000) 2.888======================= Grid point 167 (55/126) =======================q-point: (-0.18 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.525 ( 16.440 -33.162 3.273) 37.157 2.002 ( 26.043 -14.250 20.701) 36.192 3.602 ( 36.941 2.728 4.617) 37.328 3.846 ( 14.407 -1.109 -2.302) 14.632 4.044 ( -2.952 0.249 2.697) 4.007 4.189 ( 1.509 0.137 4.658) 4.898 4.684 ( 21.973 1.203 4.223) 22.408 5.030 ( 1.381 11.357 5.765) 12.811 5.343 ( 2.204 -8.769 1.913) 9.242 6.718 ( -7.056 -1.555 -1.579) 7.396 6.955 ( -13.104 -1.646 7.556) 15.216 7.623 ( 5.872 6.365 -3.150) 9.216 7.930 ( 2.487 -7.786 -6.515) 10.452 8.349 ( -1.926 3.893 -4.034) 5.928 8.480 ( 2.672 6.123 2.881) 7.276 8.717 ( 0.031 -8.067 3.641) 8.851 8.862 ( 3.137 -0.988 -0.300) 3.303 9.881 ( -12.145 2.420 2.209) 12.580 10.645 ( 4.722 -1.082 -4.217) 6.423 11.168 ( -2.098 0.733 -2.074) 3.040 13.752 ( -3.209 -0.395 -2.598) 4.147 13.980 ( -0.304 3.875 -4.862) 6.224 14.274 ( 2.413 -1.986 -4.190) 5.227 15.031 ( 2.401 0.905 1.765) 3.114 15.314 ( -2.225 4.196 -3.325) 5.798 15.576 ( -3.814 -1.487 1.050) 4.227 16.171 ( -2.204 0.468 2.248) 3.183 16.472 ( 0.679 13.706 -1.306) 13.785 16.950 ( 0.311 -17.855 0.320) 17.861 17.985 ( -9.409 2.743 9.183) 13.430 19.603 ( 17.481 -4.006 -10.348) 20.705 21.255 ( -6.973 2.909 -5.299) 9.229 22.205 ( 0.265 0.620 4.806) 4.853 22.609 ( -8.738 -0.160 2.066) 8.980 24.592 ( 1.220 -1.273 1.251) 2.162 24.826 ( -0.193 1.790 -0.403) 1.845======================= Grid point 168 (56/126) =======================q-point: (-0.09 0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.461 ( 13.148 -0.000 16.277) 20.924 2.245 ( 26.204 -0.000 21.722) 34.037 3.746 ( 8.522 -0.000 -7.221) 11.170 3.779 ( 29.171 -0.000 14.700) 32.666 4.092 ( 0.058 0.000 2.670) 2.671 4.276 ( 2.293 0.000 6.815) 7.190 4.793 ( 23.169 -0.000 10.291) 25.352 5.169 ( 4.040 -0.000 3.724) 5.495 5.442 ( 6.556 0.000 15.647) 16.965 6.696 ( -8.972 0.000 1.634) 9.119 7.059 ( -14.304 0.000 5.216) 15.226 7.569 ( 2.402 -0.000 -8.453) 8.788 7.777 ( 3.322 -0.000 -5.983) 6.843 8.268 ( -3.035 -0.000 -9.440) 9.916 8.631 ( 3.627 -0.000 2.069) 4.176 8.665 ( -0.586 0.000 2.855) 2.915 8.870 ( 5.991 -0.000 4.105) 7.262 9.939 ( -10.313 0.000 3.373) 10.850 10.561 ( 5.759 -0.000 -5.395) 7.891 11.130 ( -2.420 0.000 -3.597) 4.335 13.681 ( -4.770 0.000 -6.297) 7.900 13.901 ( -0.554 -0.000 -8.464) 8.482 14.171 ( -2.021 -0.000 -7.918) 8.171 15.094 ( 2.769 0.000 5.096) 5.800 15.265 ( -2.442 -0.000 -7.590) 7.973 15.605 ( -5.348 0.000 4.441) 6.951 16.211 ( -1.488 0.000 2.402) 2.826 16.604 ( -0.320 -0.000 -2.724) 2.743 16.752 ( 1.136 -0.000 0.150) 1.146 18.169 ( -8.433 0.000 10.642) 13.578 19.403 ( 17.481 -0.000 -10.536) 20.410 21.166 ( -6.657 0.000 -9.094) 11.270 22.304 ( 0.118 0.000 7.400) 7.401 22.642 ( -4.946 0.000 2.799) 5.683 24.609 ( 1.273 -0.000 1.835) 2.234 24.829 ( -0.508 0.000 -0.577) 0.769======================= Grid point 173 (57/126) =======================q-point: (-0.64 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.338 ( 0.650 0.650 1.363) 1.644 3.338 ( 0.397 0.397 -0.327) 0.650 3.602 ( 9.472 9.472 -5.802) 14.598 3.894 ( -10.434 -10.434 -8.424) 16.991 4.573 ( 7.308 7.308 -0.461) 10.345 4.713 ( -3.247 -3.247 -5.874) 7.456 4.938 ( 1.341 1.341 -10.067) 10.244 5.092 ( -8.640 -8.640 -8.612) 14.948 6.163 ( 0.832 0.832 -9.971) 10.041 6.175 ( -0.170 -0.170 -10.571) 10.574 7.153 ( 4.468 4.468 2.463) 6.781 7.299 ( -5.568 -5.568 -0.348) 7.882 8.163 ( 4.864 4.864 2.062) 7.181 8.256 ( -1.631 -1.631 -1.610) 2.813 8.327 ( 2.350 2.350 10.243) 10.769 8.399 ( -3.297 -3.297 9.330) 10.430 9.524 ( 6.118 6.118 -11.998) 14.793 9.670 ( -4.749 -4.749 -13.210) 14.819 10.749 ( -0.041 -0.041 8.551) 8.551 10.763 ( -1.017 -1.017 8.779) 8.896 13.532 ( -0.151 -0.151 9.124) 9.127 13.543 ( -0.885 -0.885 9.436) 9.519 14.198 ( 1.214 1.214 15.285) 15.381 14.273 ( -4.157 -4.157 14.027) 15.209 15.455 ( 2.444 2.444 -6.181) 7.081 15.515 ( -1.777 -1.777 -6.632) 7.093 16.180 ( 0.354 0.354 -1.710) 1.782 16.200 ( -1.023 -1.023 -1.488) 2.076 17.877 ( 4.780 4.780 -9.033) 11.283 17.943 ( 0.108 0.108 -10.597) 10.598 20.064 ( 2.600 2.600 16.047) 16.463 20.174 ( -5.188 -5.188 13.318) 15.205 22.559 ( 0.851 0.851 -8.040) 8.130 22.568 ( 0.220 0.220 -8.069) 8.075 24.736 ( 0.756 0.756 -1.188) 1.599 24.753 ( -0.557 -0.557 -1.447) 1.648======================= Grid point 175 (58/126) =======================q-point: (-0.55 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.127 ( 17.279 -17.279 -4.797) 24.902 3.420 ( -2.318 2.318 1.671) 3.680 3.655 ( -3.240 3.240 -5.179) 6.915 3.667 ( -4.442 4.442 -8.764) 10.782 4.583 ( 6.842 -6.842 -3.116) 10.165 4.605 ( 3.297 -3.297 -3.720) 5.965 4.808 ( 2.704 -2.704 -7.484) 8.404 4.860 ( -0.453 0.453 -8.967) 8.990 5.879 ( 10.000 -10.000 -8.478) 16.488 6.196 ( -12.894 12.894 -6.815) 19.466 7.191 ( 2.458 -2.458 1.041) 3.629 7.288 ( -4.200 4.200 0.448) 5.957 8.189 ( 0.762 -0.762 -2.287) 2.528 8.205 ( 0.322 -0.322 -0.330) 0.562 8.443 ( 7.014 -7.014 12.714) 16.125 8.633 ( -5.816 5.816 12.080) 14.615 9.338 ( 4.585 -4.585 -14.043) 15.468 9.481 ( -6.389 6.389 -11.683) 14.770 10.807 ( 4.857 -4.857 6.954) 9.774 10.932 ( -4.248 4.248 5.966) 8.467 13.675 ( -0.313 0.313 8.111) 8.123 13.678 ( -0.536 0.536 8.717) 8.750 14.358 ( 5.456 -5.456 12.140) 14.384 14.530 ( -6.967 6.967 12.196) 15.679 15.370 ( 3.212 -3.212 -2.677) 5.273 15.463 ( -3.614 3.614 -2.533) 5.704 16.148 ( -0.083 0.083 -2.561) 2.564 16.162 ( -0.962 0.962 -3.193) 3.470 17.697 ( 5.771 -5.771 -8.528) 11.804 17.843 ( -5.034 5.034 -10.531) 12.711 20.159 ( 13.805 -13.805 15.341) 24.829 20.520 ( -12.574 12.574 14.230) 22.776 22.394 ( 2.759 -2.759 -9.127) 9.926 22.483 ( -3.752 3.752 -8.418) 9.950 24.714 ( 0.849 -0.849 -1.184) 1.687 24.735 ( -0.708 0.708 -1.320) 1.657======================= Grid point 177 (59/126) =======================q-point: (-0.36 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.513 ( 23.968 -16.366 -0.000) 29.022 3.019 ( 5.752 -42.489 -0.000) 42.876 3.634 ( -1.404 3.523 0.000) 3.792 3.815 ( -5.161 10.651 0.000) 11.836 4.063 ( 8.673 0.987 -0.000) 8.729 4.416 ( 21.119 -5.452 -0.000) 21.812 4.696 ( 8.313 3.550 -0.000) 9.040 4.896 ( 10.267 6.181 -0.000) 11.984 5.594 ( 7.485 -4.925 -0.000) 8.960 6.399 ( -17.955 7.874 0.000) 19.606 7.040 ( -1.584 -9.312 -0.000) 9.446 7.504 ( 2.026 8.155 0.000) 8.403 8.129 ( -1.843 -0.660 0.000) 1.958 8.238 ( -0.083 3.699 0.000) 3.700 8.558 ( 9.252 -7.380 -0.000) 11.835 8.854 ( 0.063 -5.105 -0.000) 5.105 8.924 ( 1.730 -0.844 -0.000) 1.925 9.510 ( -14.020 9.575 0.000) 16.978 10.804 ( 4.242 -3.712 -0.000) 5.636 11.110 ( -3.016 2.445 0.000) 3.883 13.785 ( 0.106 -1.331 -0.000) 1.336 13.895 ( 0.405 4.101 0.000) 4.121 14.439 ( 5.274 -2.838 -0.000) 5.989 14.915 ( -3.434 7.629 0.000) 8.366 15.287 ( 1.992 -2.109 -0.000) 2.901 15.538 ( -3.973 0.959 0.000) 4.087 16.102 ( -1.065 0.890 0.000) 1.387 16.205 ( 0.322 7.282 0.000) 7.289 17.348 ( 1.427 -10.925 -0.000) 11.018 17.730 ( -6.236 2.402 0.000) 6.683 20.110 ( 14.317 -10.718 -0.000) 17.884 21.044 ( -10.094 7.623 0.000) 12.649 22.166 ( 1.213 -0.757 -0.000) 1.429 22.425 ( -7.516 2.928 0.000) 8.066 24.649 ( 0.526 -2.277 -0.000) 2.337 24.758 ( -0.089 2.589 0.000) 2.591======================= Grid point 178 (60/126) =======================q-point: (-0.27 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.214 ( 17.597 -31.084 -3.124) 35.856 2.592 ( 17.351 -28.316 18.182) 37.860 3.686 ( 0.859 6.199 -1.861) 6.529 3.923 ( -4.472 7.460 -0.893) 8.744 4.194 ( 14.017 1.279 7.922) 16.152 4.336 ( 12.827 -7.306 2.369) 14.951 4.844 ( 15.700 10.497 6.097) 19.846 5.007 ( 12.747 7.234 3.871) 15.159 5.537 ( 10.750 -6.553 3.260) 13.005 6.486 ( -21.456 2.833 1.355) 21.685 6.934 ( -2.247 -8.230 2.911) 9.014 7.597 ( 2.979 6.837 -1.564) 7.620 8.057 ( -0.086 -6.793 -5.554) 8.775 8.270 ( -0.071 4.375 -3.775) 5.779 8.465 ( 4.024 2.222 -1.949) 4.993 8.813 ( 0.177 -4.519 0.096) 4.523 8.922 ( 1.756 -3.425 4.853) 6.194 9.660 ( -12.073 5.526 5.030) 14.199 10.732 ( 4.716 -2.390 -3.607) 6.400 11.119 ( -2.737 1.765 -2.409) 4.051 13.738 ( -0.434 -0.983 -4.022) 4.163 13.919 ( 0.064 4.597 -4.752) 6.612 14.355 ( 5.024 -2.474 -6.239) 8.384 14.996 ( -1.083 6.688 -1.380) 6.914 15.260 ( 0.306 0.299 -1.802) 1.852 15.536 ( -4.124 -0.355 -0.045) 4.139 16.137 ( -1.260 0.788 2.530) 2.934 16.323 ( 0.840 9.935 -0.340) 9.976 17.186 ( 0.678 -15.563 1.528) 15.652 17.829 ( -8.321 2.345 8.426) 12.072 19.904 ( 15.560 -7.241 -9.749) 19.738 21.083 ( -9.425 5.943 -6.100) 12.703 22.206 ( 0.701 -0.093 5.341) 5.388 22.490 ( -7.885 0.834 4.452) 9.094 24.628 ( 0.757 -1.945 1.052) 2.337 24.794 ( -0.350 2.373 -0.059) 2.399======================= Grid point 179 (61/126) =======================q-point: (-0.18 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.821 ( 12.382 -25.080 8.612) 29.265 2.662 ( 23.543 -9.780 19.793) 32.275 3.752 ( 2.670 8.575 -3.094) 9.499 3.980 ( -1.206 -1.602 0.377) 2.040 4.148 ( 1.084 -7.332 0.963) 7.474 4.443 ( 18.850 1.190 11.589) 22.159 5.065 ( 20.053 5.971 7.582) 22.255 5.245 ( 13.700 7.611 9.900) 18.537 5.567 ( 12.042 -2.753 11.871) 17.132 6.517 ( -20.824 -2.056 2.841) 21.117 6.918 ( -5.442 -2.381 3.876) 7.093 7.601 ( 2.997 1.662 -8.063) 8.761 7.837 ( 0.499 -4.701 -7.945) 9.245 8.220 ( -2.402 1.110 -8.711) 9.104 8.547 ( 0.890 7.871 1.508) 8.064 8.743 ( -0.675 -3.629 -1.454) 3.967 8.971 ( 3.092 -4.957 9.047) 10.770 9.796 ( -8.279 1.893 6.054) 10.430 10.642 ( 5.645 -0.537 -5.261) 7.735 11.088 ( -2.744 1.031 -4.016) 4.972 13.641 ( -1.523 -0.407 -7.202) 7.372 13.871 ( -0.550 2.908 -8.151) 8.671 14.191 ( 3.434 -1.343 -11.285) 11.872 15.074 ( 0.236 7.795 -1.041) 7.868 15.232 ( -0.618 -0.642 -2.294) 2.461 15.546 ( -5.036 -1.434 3.325) 6.202 16.188 ( -1.351 0.446 2.782) 3.125 16.460 ( 0.909 12.248 -1.508) 12.374 16.963 ( 0.954 -18.553 0.097) 18.578 18.024 ( -10.348 1.612 12.458) 16.275 19.661 ( 17.216 -2.749 -11.832) 21.070 21.034 ( -8.663 4.069 -9.128) 13.225 22.307 ( 0.309 -0.201 7.655) 7.664 22.570 ( -6.155 -0.539 5.598) 8.337 24.630 ( 0.835 -0.968 1.805) 2.212 24.814 ( -0.613 1.099 -0.466) 1.342======================= Grid point 180 (62/126) =======================q-point: (-0.09 0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 8.076 0.000 14.683) 16.758 2.857 ( 22.871 -0.000 13.069) 26.342 3.725 ( 7.931 -0.000 -9.854) 12.649 3.969 ( -5.141 0.000 6.143) 8.011 4.158 ( -5.731 0.000 3.357) 6.642 4.654 ( 18.809 -0.000 14.713) 23.880 5.261 ( 18.971 -0.000 12.221) 22.567 5.430 ( 14.149 -0.000 10.709) 17.745 5.802 ( 9.705 -0.000 15.725) 18.478 6.554 ( -15.905 0.000 4.609) 16.559 6.951 ( -7.795 0.000 1.184) 7.885 7.421 ( -0.580 -0.000 -11.694) 11.709 7.723 ( 1.018 -0.000 -5.876) 5.963 8.051 ( -2.864 -0.000 -12.806) 13.122 8.625 ( -0.780 -0.000 -3.807) 3.886 8.703 ( -1.069 0.000 3.093) 3.272 9.079 ( 4.556 0.000 9.829) 10.833 9.898 ( -4.941 0.000 5.755) 7.585 10.561 ( 5.680 -0.000 -4.914) 7.511 11.029 ( -2.844 0.000 -4.435) 5.269 13.516 ( -2.226 -0.000 -8.345) 8.637 13.759 ( -0.511 -0.000 -8.545) 8.561 13.992 ( 0.866 -0.000 -12.953) 12.982 15.094 ( -2.241 -0.000 -10.096) 10.342 15.220 ( 2.103 0.000 6.967) 7.277 15.601 ( -5.864 0.000 4.943) 7.670 16.228 ( -1.160 0.000 1.888) 2.216 16.569 ( -0.181 -0.000 -1.327) 1.339 16.765 ( 2.231 -0.000 -1.543) 2.712 18.217 ( -8.941 0.000 10.361) 13.685 19.495 ( 15.942 -0.000 -7.109) 17.455 20.913 ( -7.606 0.000 -10.365) 12.856 22.424 ( 0.119 0.000 7.649) 7.650 22.646 ( -3.701 0.000 4.854) 6.104 24.652 ( 0.852 0.000 1.687) 1.890 24.813 ( -0.694 0.000 -0.309) 0.760======================= Grid point 188 (63/126) =======================q-point: (-0.45 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.031 ( 19.314 -16.031 -0.000) 25.101 3.430 ( -6.638 -2.025 0.000) 6.940 3.478 ( -1.812 1.373 0.000) 2.274 3.615 ( -3.199 7.328 0.000) 7.996 4.281 ( 7.279 -17.991 -0.000) 19.408 4.556 ( -9.177 -0.837 0.000) 9.215 4.812 ( 14.559 4.949 -0.000) 15.377 4.901 ( 6.216 9.673 0.000) 11.499 5.786 ( 11.275 -5.512 -0.000) 12.550 6.059 ( -12.636 10.346 0.000) 16.331 7.183 ( 5.840 -7.363 -0.000) 9.398 7.371 ( -3.071 9.915 0.000) 10.380 8.132 ( 0.388 -1.775 -0.000) 1.817 8.180 ( -1.946 2.446 0.000) 3.126 8.824 ( 8.636 -11.201 -0.000) 14.143 8.907 ( -0.978 -3.158 -0.000) 3.306 8.953 ( 2.140 -0.994 -0.000) 2.360 9.180 ( -12.761 11.521 0.000) 17.192 10.916 ( 4.114 -4.164 -0.000) 5.853 11.023 ( -3.815 3.459 0.000) 5.149 13.813 ( 1.546 -0.937 -0.000) 1.807 13.850 ( -0.143 2.859 0.000) 2.862 14.571 ( 7.706 -3.669 -0.000) 8.534 14.742 ( -4.328 9.009 0.000) 9.994 15.366 ( 2.666 -4.071 -0.000) 4.866 15.458 ( -4.422 2.170 0.000) 4.925 16.095 ( 1.590 0.623 -0.000) 1.708 16.130 ( 0.391 4.532 0.000) 4.549 17.498 ( 1.410 -8.355 -0.000) 8.473 17.618 ( -6.668 1.512 0.000) 6.838 20.449 ( 12.612 -12.064 -0.000) 17.453 20.771 ( -11.856 10.389 0.000) 15.763 22.212 ( 2.139 -2.753 -0.000) 3.486 22.300 ( -5.083 2.841 0.000) 5.823 24.686 ( 0.966 -1.674 -0.000) 1.933 24.722 ( -0.813 1.824 0.000) 1.997======================= Grid point 189 (64/126) =======================q-point: (-0.36 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.813 ( 18.281 -21.155 -0.740) 27.969 3.176 ( 7.536 -28.371 8.844) 30.658 3.596 ( -4.082 6.077 1.548) 7.482 3.715 ( -7.531 7.572 -1.046) 10.731 4.275 ( 6.738 1.627 12.415) 14.219 4.520 ( 0.056 -4.613 -1.332) 4.801 4.897 ( 9.816 10.184 1.171) 14.193 5.085 ( 14.104 9.411 5.492) 17.823 5.767 ( 12.827 -2.823 4.401) 13.851 6.183 ( -13.821 4.359 2.685) 14.739 7.065 ( 3.976 -9.145 0.203) 9.974 7.499 ( -2.476 8.595 -0.645) 8.967 8.102 ( -1.362 -2.880 -1.200) 3.405 8.224 ( -0.622 2.792 -0.697) 2.945 8.557 ( 6.339 -5.077 -11.081) 13.739 8.825 ( -2.988 0.060 -8.353) 8.871 9.000 ( -0.073 -5.585 9.940) 11.402 9.427 ( -7.857 7.314 11.252) 15.551 10.836 ( 4.586 -3.501 -3.285) 6.639 11.045 ( -3.393 2.977 -2.658) 5.238 13.760 ( 1.541 -1.028 -4.823) 5.167 13.860 ( -0.049 4.032 -4.824) 6.287 14.478 ( 7.639 -2.909 -6.640) 10.531 14.842 ( -3.038 10.266 -3.813) 11.365 15.300 ( 1.546 -3.039 -1.357) 3.670 15.475 ( -3.869 1.023 -0.036) 4.002 16.123 ( 0.976 0.811 2.116) 2.467 16.220 ( 0.612 6.742 1.029) 6.848 17.386 ( 0.605 -12.538 3.016) 12.910 17.693 ( -8.294 1.260 7.207) 11.060 20.219 ( 13.385 -9.947 -9.395) 19.140 20.842 ( -10.977 8.886 -6.875) 15.708 22.231 ( 1.271 -1.686 5.814) 6.186 22.378 ( -5.862 1.611 5.636) 8.290 24.666 ( 0.870 -2.019 0.746) 2.322 24.754 ( -0.834 2.173 0.420) 2.365======================= Grid point 190 (65/126) =======================q-point: (-0.27 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.397 ( 11.335 -33.347 1.459) 35.251 3.103 ( 16.667 -12.751 14.395) 25.448 3.676 ( 1.046 4.261 1.090) 4.521 3.827 ( -11.709 6.865 2.172) 13.746 4.338 ( 3.098 -11.610 -3.191) 12.433 4.572 ( 6.398 5.193 12.630) 15.080 5.147 ( 11.708 14.827 7.366) 20.277 5.323 ( 16.773 10.289 8.741) 21.531 5.828 ( 16.423 -2.970 8.259) 18.621 6.264 ( -15.524 -0.923 5.663) 16.550 6.962 ( 1.081 -7.034 0.921) 7.175 7.568 ( -1.631 5.155 -3.397) 6.385 7.933 ( -0.415 -9.079 -10.047) 13.548 8.186 ( -0.854 0.134 -6.234) 6.294 8.467 ( 0.332 5.031 -2.477) 5.618 8.725 ( -3.961 1.379 -5.215) 6.692 9.063 ( -2.119 -7.039 9.796) 12.247 9.680 ( -2.533 3.835 11.435) 12.324 10.732 ( 5.523 -1.679 -5.265) 7.813 11.026 ( -2.991 2.364 -4.438) 5.851 13.648 ( 1.284 -0.708 -7.956) 8.090 13.816 ( -0.389 4.095 -8.065) 9.054 14.291 ( 7.371 -2.286 -12.638) 14.808 14.912 ( -1.922 12.525 -7.065) 14.508 15.262 ( 0.732 -2.527 1.569) 3.063 15.500 ( -3.952 -0.688 3.068) 5.050 16.170 ( 0.199 0.727 2.445) 2.558 16.332 ( 0.740 8.482 -0.057) 8.515 17.224 ( 0.581 -17.766 2.132) 17.903 17.858 ( -11.052 1.292 11.451) 15.967 19.938 ( 15.025 -5.611 -12.160) 20.127 20.827 ( -9.694 7.728 -9.388) 15.551 22.323 ( 0.635 -1.249 8.196) 8.315 22.493 ( -5.541 0.024 7.375) 9.224 24.657 ( 0.470 -1.609 1.362) 2.160 24.786 ( -0.740 1.529 0.220) 1.713======================= Grid point 191 (66/126) =======================q-point: (-0.18 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 7.539 -20.394 9.018) 23.539 3.168 ( 16.588 -3.440 6.721) 18.226 3.755 ( 5.025 5.596 -1.978) 7.777 3.929 ( -10.504 0.337 3.761) 11.163 4.125 ( -1.285 -10.131 -0.473) 10.223 4.823 ( 8.303 2.656 13.049) 15.693 5.442 ( 16.020 9.301 8.692) 20.463 5.601 ( 13.287 6.953 8.011) 17.002 5.953 ( 14.636 -0.792 12.891) 19.520 6.360 ( -12.158 -1.062 9.479) 15.453 6.901 ( -1.928 -2.734 -0.388) 3.368 7.462 ( 0.298 -4.584 -12.297) 13.127 7.707 ( -3.304 -1.316 -6.275) 7.213 8.037 ( -1.649 -2.515 -10.776) 11.188 8.523 ( -3.964 6.706 -2.375) 8.144 8.697 ( -3.168 -0.451 0.099) 3.202 9.121 ( -3.951 -5.018 8.944) 10.990 9.873 ( 2.471 1.273 9.194) 9.605 10.639 ( 5.998 0.025 -5.436) 8.095 10.981 ( -2.740 1.539 -4.607) 5.576 13.511 ( 1.093 -0.300 -8.643) 8.717 13.733 ( -0.555 2.623 -8.380) 8.798 14.054 ( 6.762 -1.225 -14.479) 16.027 14.964 ( -1.858 12.291 -9.135) 15.426 15.277 ( 0.932 -3.194 5.479) 6.410 15.544 ( -4.767 -2.167 5.100) 7.309 16.212 ( -0.321 0.511 1.845) 1.941 16.453 ( 0.690 10.593 -0.922) 10.655 16.974 ( 1.421 -19.186 -0.792) 19.255 18.054 ( -13.337 0.882 11.564) 17.674 19.724 ( 15.724 -1.409 -9.343) 18.344 20.772 ( -7.900 4.972 -9.075) 13.019 22.433 ( 0.251 -0.970 7.830) 7.894 22.596 ( -4.086 -0.464 6.501) 7.693 24.662 ( -0.131 -0.804 1.401) 1.620 24.801 ( -0.411 0.555 0.076) 0.695======================= Grid point 192 (67/126) =======================q-point: (-0.09 0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.115 ( 3.752 0.000 9.803) 10.496 3.190 ( 9.949 -0.000 -1.072) 10.006 3.665 ( 5.869 -0.000 -10.282) 11.839 4.016 ( -8.301 0.000 7.348) 11.085 4.112 ( -1.137 0.000 4.225) 4.375 5.033 ( 6.697 -0.000 11.056) 12.926 5.646 ( 13.114 -0.000 8.411) 15.580 5.723 ( 7.417 -0.000 4.955) 8.920 6.131 ( 10.275 -0.000 6.886) 12.369 6.530 ( -3.741 0.000 11.873) 12.448 6.865 ( -3.955 0.000 -2.528) 4.694 7.230 ( -2.690 -0.000 -8.508) 8.923 7.628 ( -1.914 -0.000 -4.877) 5.239 7.834 ( -0.322 -0.000 -11.471) 11.475 8.530 ( -4.732 0.000 -2.861) 5.529 8.715 ( -3.655 0.000 2.292) 4.314 9.205 ( -5.463 0.000 6.488) 8.481 9.995 ( 5.602 -0.000 5.687) 7.982 10.563 ( 5.218 -0.000 -4.740) 7.050 10.934 ( -2.229 0.000 -2.953) 3.699 13.390 ( 1.192 -0.000 -6.521) 6.629 13.639 ( -0.375 -0.000 -6.056) 6.067 13.841 ( 5.827 -0.000 -11.468) 12.864 14.921 ( -1.564 -0.000 -8.212) 8.360 15.353 ( 0.981 0.000 6.977) 7.046 15.600 ( -4.382 0.000 4.387) 6.200 16.235 ( -0.443 0.000 0.621) 0.763 16.557 ( -0.047 -0.000 -0.221) 0.225 16.765 ( 2.354 -0.000 -2.608) 3.514 18.218 ( -13.358 0.000 8.791) 15.991 19.602 ( 13.613 -0.000 -6.043) 14.894 20.686 ( -5.048 0.000 -6.357) 8.117 22.529 ( 0.105 0.000 5.569) 5.570 22.678 ( -2.469 0.000 4.472) 5.108 24.675 ( -0.636 0.000 0.869) 1.077 24.807 ( 0.015 0.000 0.254) 0.254======================= Grid point 199 (68/126) =======================q-point: ( 0.55 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.269 ( -2.997 -2.997 2.248) 4.798 3.300 ( 0.875 0.875 2.105) 2.441 3.463 ( 0.431 0.431 -4.514) 4.555 3.623 ( -5.526 -5.526 8.922) 11.861 4.416 ( -4.764 -4.764 6.916) 9.656 4.448 ( -0.656 -0.656 5.745) 5.820 4.873 ( 7.220 7.220 -4.594) 11.196 5.111 ( 10.257 10.257 8.473) 16.799 5.967 ( 2.926 2.926 3.200) 5.230 5.978 ( 3.328 3.328 3.810) 6.055 7.236 ( 0.258 0.258 -4.253) 4.269 7.344 ( 1.154 1.154 3.045) 3.455 8.120 ( -1.296 -1.296 -1.770) 2.548 8.189 ( 0.262 0.262 2.934) 2.957 8.723 ( -1.451 -1.451 -18.200) 18.315 8.728 ( -1.311 -1.311 -9.578) 9.756 9.046 ( -4.353 -4.353 9.319) 11.169 9.307 ( 2.605 2.605 17.732) 18.111 10.938 ( -0.018 -0.018 -3.502) 3.502 10.956 ( 0.228 0.228 -2.404) 2.426 13.794 ( 1.039 1.039 -5.543) 5.734 13.817 ( 1.358 1.358 -4.406) 4.806 14.610 ( 2.482 2.482 -8.074) 8.804 14.690 ( 4.131 4.131 -2.980) 6.558 15.349 ( -1.614 -1.614 -2.954) 3.733 15.425 ( -0.527 -0.527 1.456) 1.636 16.135 ( 2.070 2.070 0.925) 3.070 16.167 ( 2.350 2.350 2.551) 4.190 17.521 ( -5.145 -5.145 3.241) 7.965 17.583 ( -4.054 -4.054 7.078) 9.108 20.491 ( -0.859 -0.859 -11.372) 11.436 20.593 ( 0.882 0.882 -5.098) 5.248 22.280 ( -1.122 -1.122 5.601) 5.822 22.299 ( -0.860 -0.860 6.398) 6.513 24.698 ( -0.371 -0.371 -0.107) 0.535 24.721 ( 0.348 0.348 1.338) 1.426======================= Grid point 201 (69/126) =======================q-point: (-0.36 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.978 ( 9.362 -29.421 -1.289) 30.902 3.353 ( -0.341 -0.440 -1.938) 2.016 3.527 ( -10.280 9.284 2.319) 14.045 3.704 ( -2.288 -7.841 13.922) 16.141 4.482 ( 1.320 -4.259 -2.806) 5.268 4.543 ( -0.456 2.518 13.482) 13.722 5.045 ( 7.604 14.776 8.999) 18.898 5.384 ( 12.713 10.855 7.861) 18.473 6.031 ( 11.109 0.473 7.018) 13.149 6.143 ( -1.284 4.511 4.927) 6.802 7.108 ( 3.976 -7.007 -3.675) 8.855 7.437 ( -4.987 5.050 0.908) 7.155 8.028 ( -1.832 -5.459 -6.484) 8.671 8.208 ( 0.455 -3.060 -1.442) 3.414 8.422 ( -2.169 -0.440 -12.089) 12.290 8.629 ( -3.169 3.169 -6.372) 7.790 9.102 ( -5.713 -6.892 8.356) 12.246 9.627 ( 2.961 4.661 16.281) 17.192 10.834 ( 4.812 -2.632 -5.202) 7.559 10.943 ( -2.949 3.704 -4.731) 6.694 13.687 ( 2.873 -0.399 -8.241) 8.737 13.755 ( -0.230 3.774 -8.210) 9.038 14.438 ( 8.743 -1.649 -13.046) 15.791 14.717 ( -0.537 11.772 -8.835) 14.728 15.302 ( -0.480 -2.475 1.345) 2.857 15.462 ( -2.071 -0.185 3.644) 4.195 16.177 ( 2.385 1.119 1.665) 3.116 16.249 ( 0.672 4.784 1.400) 5.030 17.447 ( -0.824 -14.389 4.669) 15.150 17.693 ( -11.464 -0.216 9.434) 14.848 20.208 ( 10.301 -7.062 -13.259) 18.215 20.582 ( -7.070 9.483 -8.698) 14.683 22.358 ( 0.597 -2.569 8.506) 8.905 22.423 ( -3.965 0.523 8.314) 9.226 24.683 ( -0.157 -1.626 0.385) 1.678 24.757 ( -0.309 1.265 1.352) 1.877======================= Grid point 202 (70/126) =======================q-point: (-0.27 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.555 ( 6.647 -30.643 2.656) 31.468 3.308 ( -0.126 1.943 -5.566) 5.896 3.680 ( -12.842 6.708 2.950) 14.786 3.827 ( 4.569 -4.820 11.639) 13.401 4.301 ( 2.980 -9.782 -4.830) 11.309 4.817 ( -1.672 3.807 14.501) 15.085 5.443 ( 12.358 16.238 11.098) 23.228 5.637 ( 12.102 10.538 6.189) 17.200 6.173 ( 12.900 -0.020 9.648) 16.109 6.266 ( -0.655 2.637 6.774) 7.298 6.959 ( 0.790 -5.733 -4.246) 7.178 7.473 ( -3.328 0.817 -3.125) 4.638 7.745 ( -2.384 -10.461 -11.683) 15.862 8.073 ( -0.104 -4.846 -6.779) 8.333 8.364 ( -7.545 5.191 -3.939) 9.970 8.623 ( -3.319 3.323 -1.249) 4.860 9.120 ( -8.179 -7.660 7.196) 13.317 9.908 ( 6.253 3.422 12.773) 14.627 10.726 ( 5.888 -0.897 -5.631) 8.197 10.912 ( -2.516 3.286 -5.124) 6.586 13.548 ( 3.405 -0.439 -8.626) 9.284 13.679 ( -0.505 4.086 -8.446) 9.396 14.197 ( 10.925 -1.444 -14.832) 18.478 14.749 ( -1.253 14.975 -10.331) 18.236 15.319 ( -0.375 -2.535 4.902) 5.531 15.522 ( -3.173 -2.218 5.943) 7.093 16.213 ( 1.791 0.674 1.428) 2.388 16.339 ( 0.361 7.178 -0.097) 7.188 17.261 ( 0.529 -20.112 1.632) 20.185 17.844 ( -15.924 0.438 9.641) 18.620 19.948 ( 12.261 -2.883 -11.253) 16.890 20.582 ( -5.552 8.448 -7.161) 12.388 22.457 ( 0.272 -2.026 8.105) 8.359 22.548 ( -3.683 -0.255 7.597) 8.447 24.669 ( -1.043 -1.427 0.580) 1.860 24.790 ( 0.092 0.783 1.013) 1.283======================= Grid point 203 (71/126) =======================q-point: (-0.18 0.55 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.287 ( 3.483 -17.450 5.721) 18.691 3.230 ( -3.142 2.256 -8.657) 9.482 3.742 ( 0.142 0.923 -7.346) 7.405 3.860 ( -7.953 -2.296 3.294) 8.909 4.209 ( 6.042 -5.767 8.695) 12.057 5.050 ( -0.889 2.754 9.059) 9.510 5.729 ( 10.477 8.484 3.829) 14.014 5.821 ( 9.648 4.452 2.242) 10.860 6.279 ( 10.716 -0.187 2.663) 11.044 6.481 ( 2.548 6.843 12.413) 14.401 6.836 ( -2.099 -1.596 -4.227) 4.982 7.286 ( -1.044 -10.981 -6.708) 12.910 7.579 ( -4.264 0.023 -2.954) 5.187 7.883 ( 1.704 -5.244 -8.327) 9.987 8.397 ( -8.499 4.963 -1.462) 9.950 8.647 ( -5.667 0.945 0.355) 5.756 9.124 ( -10.957 -5.546 5.310) 13.379 10.098 ( 9.777 1.793 7.220) 12.285 10.635 ( 5.598 -0.057 -5.647) 7.952 10.889 ( -2.023 2.338 -2.604) 4.043 13.427 ( 3.829 -0.194 -6.228) 7.314 13.615 ( -0.400 2.688 -5.906) 6.502 13.972 ( 12.244 -0.733 -11.925) 17.107 14.805 ( -1.334 12.611 -7.635) 14.803 15.372 ( -0.673 -1.790 5.513) 5.835 15.576 ( -3.114 -3.629 6.497) 8.067 16.236 ( 1.151 0.351 0.557) 1.326 16.449 ( 0.402 10.022 -0.654) 10.052 16.976 ( 1.561 -20.186 -1.582) 20.308 17.988 ( -19.351 0.515 8.154) 21.005 19.782 ( 12.201 0.095 -8.734) 15.005 20.595 ( -2.679 5.039 -3.052) 6.472 22.541 ( 0.102 -1.387 5.634) 5.803 22.645 ( -2.703 -0.304 5.520) 6.154 24.662 ( -1.822 -0.793 0.444) 2.036 24.810 ( 0.561 0.267 0.711) 0.945======================= Grid point 204 (72/126) =======================q-point: (-0.09 -0.45 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.237 ( 0.854 0.000 1.619) 1.830 3.094 ( -8.001 0.000 -10.993) 13.596 3.572 ( 2.407 -0.000 -8.888) 9.209 3.918 ( -13.057 0.000 3.834) 13.609 4.306 ( 9.827 -0.000 6.448) 11.753 5.127 ( -4.081 0.000 -2.728) 4.909 5.798 ( 2.895 -0.000 -3.405) 4.469 5.818 ( 6.175 -0.000 -5.787) 8.463 6.202 ( 3.351 -0.000 -10.006) 10.552 6.689 ( 0.853 0.000 3.992) 4.082 6.852 ( 3.941 0.000 7.454) 8.432 7.181 ( 1.206 0.000 5.229) 5.367 7.552 ( -1.789 0.000 -1.292) 2.206 7.728 ( 4.005 -0.000 -4.702) 6.177 8.432 ( -7.120 0.000 1.244) 7.228 8.669 ( -7.432 0.000 1.673) 7.618 9.141 ( -12.878 0.000 2.220) 13.068 10.171 ( 11.092 -0.000 0.750) 11.117 10.550 ( 3.961 -0.000 -5.317) 6.630 10.896 ( -0.848 0.000 1.135) 1.417 13.363 ( 4.257 -0.000 -1.833) 4.635 13.573 ( -0.203 -0.000 -1.942) 1.952 13.831 ( 12.604 -0.000 -5.476) 13.742 14.824 ( -0.603 -0.000 -2.022) 2.110 15.419 ( -1.908 0.000 1.408) 2.371 15.644 ( -0.530 0.000 6.373) 6.395 16.242 ( 0.814 -0.000 0.137) 0.825 16.557 ( 0.065 -0.000 0.093) 0.113 16.751 ( 1.838 -0.000 -2.682) 3.252 18.103 ( -20.875 0.000 6.461) 21.852 19.656 ( 10.542 -0.000 -8.704) 13.671 20.624 ( 0.854 0.000 2.337) 2.488 22.589 ( 0.077 0.000 1.960) 1.961 22.707 ( -1.825 0.000 2.893) 3.421 24.661 ( -2.144 0.000 0.140) 2.148 24.820 ( 0.850 -0.000 0.436) 0.955======================= Grid point 212 (73/126) =======================q-point: ( 0.64 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.999 ( -11.037 -11.037 -3.465) 15.988 3.106 ( -11.624 -11.624 -1.814) 16.538 3.534 ( 5.160 5.160 -0.764) 7.338 3.916 ( -2.833 -2.833 13.741) 14.314 4.407 ( -0.849 -0.849 -6.941) 7.044 4.749 ( -1.894 -1.894 17.259) 17.465 5.411 ( 15.684 15.684 14.597) 26.553 5.648 ( 11.261 11.261 4.730) 16.613 6.231 ( 5.234 5.234 5.119) 8.999 6.278 ( 4.934 4.934 7.582) 10.305 7.020 ( -2.058 -2.058 -8.823) 9.291 7.426 ( -1.597 -1.597 2.633) 3.469 7.824 ( -6.932 -6.932 -12.698) 16.042 8.180 ( -2.471 -2.471 -8.946) 9.604 8.191 ( -3.393 -3.393 -0.612) 4.837 8.569 ( 1.207 1.207 -2.111) 2.715 9.116 ( -8.630 -8.630 6.551) 13.852 9.929 ( 5.696 5.696 14.061) 16.205 10.809 ( 1.708 1.708 -4.704) 5.288 10.837 ( 1.263 1.263 -6.335) 6.582 13.599 ( 2.073 2.073 -7.995) 8.516 13.624 ( 1.807 1.807 -9.087) 9.440 14.322 ( 5.813 5.813 -14.909) 17.025 14.597 ( 6.933 6.933 -10.887) 14.651 15.334 ( -1.747 -1.747 4.544) 5.172 15.516 ( -2.088 -2.088 6.514) 7.152 16.233 ( 2.546 2.546 1.058) 3.753 16.280 ( 2.096 2.096 0.432) 2.995 17.465 ( -9.229 -9.229 4.020) 13.657 17.670 ( -8.987 -8.987 7.356) 14.684 20.078 ( 2.176 2.176 -13.693) 14.034 20.458 ( 4.035 4.035 -4.680) 7.380 22.484 ( -1.405 -1.405 7.986) 8.229 22.513 ( -1.450 -1.450 8.228) 8.480 24.672 ( -1.559 -1.559 0.073) 2.206 24.785 ( 0.605 0.605 1.562) 1.781======================= Grid point 214 (74/126) =======================q-point: (-0.27 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.640 ( 2.789 -25.402 -0.789) 25.567 3.042 ( -20.445 0.937 -5.512) 21.196 3.605 ( -2.177 5.750 -0.271) 6.155 3.936 ( 1.137 -4.723 -6.092) 7.792 4.354 ( 2.647 -4.539 7.581) 9.224 4.975 ( -3.678 1.294 10.281) 10.995 5.773 ( 14.304 9.416 2.651) 17.329 5.835 ( 9.927 12.694 1.839) 16.219 6.348 ( 4.305 5.373 -2.248) 7.242 6.474 ( 8.046 4.567 11.753) 14.957 6.834 ( -2.631 -2.497 -9.133) 9.827 7.418 ( -0.849 -6.347 -0.053) 6.403 7.547 ( -6.508 -7.115 -4.451) 10.620 8.004 ( 3.215 -6.847 -4.561) 8.833 8.202 ( -9.468 4.163 -0.629) 10.362 8.556 ( -4.135 0.792 -1.741) 4.556 9.075 ( -11.455 -9.745 4.663) 15.746 10.179 ( 8.564 5.291 8.142) 12.947 10.718 ( 5.215 -1.025 -6.088) 8.081 10.817 ( -1.535 4.289 -2.526) 5.209 13.491 ( 4.826 -0.310 -5.983) 7.693 13.560 ( -0.373 4.390 -5.889) 7.355 14.163 ( 14.441 2.078 -11.778) 18.750 14.599 ( 0.981 14.138 -7.804) 16.179 15.380 ( -1.853 -2.088 4.466) 5.266 15.591 ( -2.814 -3.702 8.137) 9.372 16.263 ( 3.710 0.433 0.275) 3.746 16.337 ( 0.209 6.690 -0.545) 6.716 17.283 ( -0.244 -21.172 0.748) 21.186 17.703 ( -21.329 -1.406 5.341) 22.033 19.909 ( 7.241 1.667 -10.963) 13.244 20.504 ( 2.171 6.575 0.075) 6.925 22.564 ( -0.306 -1.892 5.522) 5.845 22.615 ( -2.419 -0.656 6.306) 6.786 24.651 ( -2.053 -1.578 0.117) 2.592 24.813 ( 0.653 0.502 1.058) 1.340======================= Grid point 215 (75/126) =======================q-point: (-0.18 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.349 ( 0.756 -14.024 -2.051) 14.194 2.924 ( -16.683 -0.292 -10.837) 19.896 3.619 ( -0.863 -1.578 -7.079) 7.304 3.761 ( -7.393 -1.386 -1.663) 7.703 4.446 ( 7.037 -2.063 7.630) 10.583 5.033 ( -7.110 0.865 -6.120) 9.421 5.795 ( 6.567 7.245 -11.008) 14.724 5.923 ( 8.377 1.092 -7.346) 11.194 6.223 ( 0.390 1.760 -17.259) 17.353 6.695 ( 3.684 1.315 6.167) 7.303 6.850 ( 3.640 7.683 10.112) 13.211 7.308 ( 2.660 -10.742 6.678) 12.925 7.514 ( -2.802 0.471 0.911) 2.984 7.852 ( 6.349 -6.671 -2.405) 9.518 8.283 ( -9.250 4.592 2.865) 10.717 8.547 ( -8.911 0.676 -0.122) 8.937 9.003 ( -14.479 -7.863 2.021) 16.600 10.306 ( 10.928 3.449 0.378) 11.465 10.606 ( 3.961 -0.360 -7.014) 8.063 10.866 ( -0.910 2.215 2.764) 3.657 13.429 ( 5.076 -0.067 -1.655) 5.340 13.551 ( -0.200 2.680 -1.726) 3.195 14.047 ( 18.714 0.867 -5.405) 19.498 14.720 ( -0.392 12.675 -1.464) 12.765 15.401 ( -2.437 -1.675 1.011) 3.125 15.662 ( -1.792 -3.965 8.359) 9.424 16.265 ( 3.063 0.167 -0.308) 3.083 16.442 ( 0.246 10.307 -0.803) 10.341 16.974 ( 1.657 -21.599 -1.304) 21.702 17.776 ( -26.047 0.180 5.149) 26.552 19.781 ( 9.117 1.986 -9.886) 13.594 20.618 ( 2.930 4.157 4.887) 7.054 22.600 ( -0.046 -1.229 1.849) 2.221 22.681 ( -2.414 -0.599 3.467) 4.267 24.636 ( -2.370 -0.909 0.100) 2.541 24.830 ( 0.824 0.255 0.552) 1.024======================= Grid point 216 (76/126) =======================q-point: (-0.09 -0.36 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.173 ( -1.251 -0.000 -10.159) 10.236 2.707 ( -17.121 0.000 -15.686) 23.220 3.480 ( -0.492 -0.000 -3.979) 4.009 3.808 ( -13.496 0.000 5.182) 14.457 4.494 ( 9.260 -0.000 -0.019) 9.260 4.806 ( -14.035 0.000 -22.940) 26.893 5.572 ( -3.002 -0.000 -27.388) 27.552 5.709 ( 4.674 -0.000 -13.064) 13.875 6.033 ( -1.737 -0.000 -11.543) 11.673 6.794 ( 5.854 -0.000 6.143) 8.485 7.072 ( 4.924 0.000 8.363) 9.705 7.354 ( 6.806 -0.000 6.960) 9.734 7.544 ( -0.104 0.000 2.261) 2.263 7.814 ( 7.008 -0.000 5.840) 9.122 8.387 ( -7.269 0.000 5.706) 9.241 8.576 ( -10.442 0.000 2.681) 10.780 8.946 ( -15.903 0.000 -1.251) 15.952 10.289 ( 10.700 -0.000 -4.987) 11.805 10.504 ( 1.996 -0.000 -5.881) 6.210 10.946 ( 0.568 0.000 5.170) 5.201 13.440 ( 5.171 -0.000 3.143) 6.051 13.577 ( -0.027 0.000 2.723) 2.723 14.025 ( 20.172 -0.000 1.447) 20.224 14.850 ( 0.275 0.000 5.609) 5.616 15.360 ( -2.622 0.000 -4.156) 4.914 15.745 ( 0.033 0.000 5.695) 5.695 16.262 ( 2.076 -0.000 -0.262) 2.092 16.559 ( 0.132 -0.000 0.067) 0.148 16.746 ( 2.239 -0.000 -1.016) 2.458 17.868 ( -27.488 0.000 7.012) 28.368 19.637 ( 9.964 -0.000 -11.379) 15.125 20.754 ( 3.985 0.000 8.789) 9.650 22.589 ( 0.040 -0.000 -2.162) 2.162 22.707 ( -2.663 0.000 0.663) 2.744 24.630 ( -2.295 0.000 -0.086) 2.297 24.837 ( 0.937 -0.000 0.153) 0.949======================= Grid point 225 (77/126) =======================q-point: (-0.27 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( -7.272 -7.272 -10.835) 14.938 2.727 ( -13.864 -13.864 -1.805) 19.690 3.590 ( -0.642 -0.642 0.359) 0.976 3.756 ( -3.304 -3.304 -12.007) 12.884 4.514 ( 1.109 1.109 7.861) 8.016 4.967 ( -3.791 -3.791 -7.078) 8.879 5.791 ( 7.936 7.936 -14.788) 18.564 5.986 ( 8.706 8.706 -4.816) 13.221 6.194 ( -0.256 -0.256 -21.687) 21.690 6.748 ( -1.009 -1.009 4.814) 5.021 6.787 ( 9.026 9.026 13.222) 18.379 7.436 ( -1.494 -1.494 1.865) 2.819 7.471 ( -4.302 -4.302 5.912) 8.483 8.012 ( 0.091 0.091 0.562) 0.576 8.119 ( -2.438 -2.438 2.284) 4.135 8.465 ( -4.353 -4.353 -1.435) 6.321 8.960 ( -12.823 -12.823 2.246) 18.272 10.357 ( 7.749 7.749 0.084) 10.959 10.646 ( 1.530 1.530 -8.528) 8.798 10.836 ( 1.094 1.094 4.442) 4.704 13.490 ( 2.345 2.345 -2.084) 3.916 13.506 ( 2.000 2.000 -1.182) 3.065 14.220 ( 12.213 12.213 -5.515) 18.131 14.578 ( 7.270 7.270 -1.085) 10.339 15.396 ( -2.345 -2.345 1.168) 3.516 15.680 ( -3.727 -3.727 8.815) 10.271 16.323 ( 3.173 3.173 -0.707) 4.543 16.334 ( 3.532 3.532 -0.861) 5.068 17.239 ( -10.592 -10.592 -0.193) 14.981 17.491 ( -14.662 -14.662 3.839) 21.088 19.832 ( 5.489 5.489 -10.092) 12.732 20.607 ( 4.810 4.810 5.824) 8.955 22.611 ( -0.784 -0.784 1.579) 1.929 22.666 ( -1.894 -1.894 3.870) 4.707 24.625 ( -1.822 -1.822 0.098) 2.578 24.834 ( 0.565 0.565 0.585) 0.990======================= Grid point 226 (78/126) =======================q-point: (-0.18 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.220 ( -1.487 -7.718 -14.667) 16.640 2.501 ( -18.088 -6.467 -12.812) 23.090 3.519 ( -0.147 -5.928 -4.394) 7.381 3.633 ( -10.866 0.064 1.766) 11.009 4.596 ( 4.253 -0.170 -1.089) 4.393 4.639 ( -10.940 -3.047 -25.607) 28.012 5.521 ( -0.237 2.313 -31.424) 31.510 5.825 ( 7.920 -1.906 -15.534) 17.541 5.968 ( -0.989 6.374 -13.641) 15.089 6.875 ( 4.233 -0.912 11.038) 11.857 7.065 ( 3.941 7.190 5.922) 10.114 7.463 ( 4.225 -1.145 5.848) 7.305 7.550 ( 1.091 -0.097 5.640) 5.745 7.983 ( 9.076 -7.417 5.204) 12.825 8.232 ( -8.760 6.742 5.791) 12.479 8.431 ( -9.165 -1.518 2.693) 9.672 8.810 ( -15.320 -10.928 -0.109) 18.818 10.393 ( 8.181 4.196 -5.632) 10.782 10.529 ( 1.740 0.426 -7.911) 8.111 10.943 ( 0.408 0.908 6.742) 6.815 13.506 ( 4.453 0.175 3.035) 5.392 13.559 ( -0.005 2.451 2.970) 3.851 14.307 ( 22.832 5.235 1.541) 23.475 14.758 ( 0.868 11.500 5.957) 12.980 15.347 ( -2.358 -2.401 -3.434) 4.808 15.746 ( -4.007 -4.032 6.589) 8.702 16.314 ( 6.054 0.179 -1.097) 6.155 16.434 ( 0.431 10.839 -0.568) 10.862 16.987 ( 1.304 -21.413 0.045) 21.452 17.480 ( -28.723 -2.055 6.869) 29.605 19.742 ( 8.504 4.012 -10.791) 14.313 20.782 ( 3.950 3.228 9.306) 10.613 22.594 ( -0.112 -0.619 -2.365) 2.447 22.674 ( -3.450 -1.805 0.460) 3.921 24.608 ( -1.793 -0.938 0.104) 2.026 24.846 ( 0.706 0.366 0.183) 0.816======================= Grid point 227 (79/126) =======================q-point: (-0.09 -0.27 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.894 ( -3.136 -0.000 -21.767) 21.991 2.180 ( -19.613 0.000 -20.250) 28.191 3.456 ( -1.105 0.000 2.311) 2.561 3.701 ( -15.588 0.000 6.423) 16.859 4.061 ( -17.867 -0.000 -41.197) 44.905 4.580 ( 5.769 -0.000 -4.428) 7.272 5.016 ( -8.082 -0.000 -32.739) 33.722 5.577 ( 9.440 -0.000 -16.305) 18.841 5.795 ( -2.562 -0.000 -15.444) 15.655 6.982 ( 8.972 -0.000 2.349) 9.274 7.191 ( -1.739 0.000 6.069) 6.313 7.526 ( 7.354 -0.000 2.223) 7.683 7.625 ( 3.259 -0.000 4.233) 5.343 8.055 ( 7.603 -0.000 10.880) 13.273 8.402 ( -5.922 0.000 7.429) 9.501 8.488 ( -10.531 0.000 5.258) 11.771 8.701 ( -15.025 0.000 -2.019) 15.160 10.320 ( 7.548 -0.000 -6.526) 9.978 10.430 ( -0.151 -0.000 -5.295) 5.297 11.047 ( 1.172 0.000 5.874) 5.989 13.586 ( 4.411 -0.000 7.004) 8.277 13.652 ( 0.099 0.000 6.750) 6.750 14.404 ( 26.713 -0.000 5.653) 27.305 14.989 ( 0.714 0.000 10.968) 10.992 15.239 ( -2.079 -0.000 -7.061) 7.361 15.779 ( -4.483 0.000 1.795) 4.829 16.300 ( 5.959 -0.000 -0.979) 6.039 16.564 ( 0.139 0.000 0.384) 0.408 16.786 ( 3.081 -0.000 0.810) 3.186 17.611 ( -30.836 0.000 12.308) 33.202 19.590 ( 11.123 -0.000 -13.339) 17.368 20.963 ( 3.513 0.000 11.121) 11.663 22.527 ( 0.008 -0.000 -5.740) 5.740 22.644 ( -5.566 0.000 -1.915) 5.886 24.602 ( -1.419 0.000 -0.119) 1.424 24.850 ( 0.828 -0.000 -0.077) 0.831======================= Grid point 237 (80/126) =======================q-point: (-0.18 -0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( -2.732 -2.732 -24.010) 24.318 2.037 ( -13.010 -13.010 -20.529) 27.567 3.485 ( -2.760 -2.760 1.786) 4.293 3.551 ( -7.260 -7.260 5.075) 11.453 3.923 ( -9.021 -9.021 -44.193) 45.998 4.625 ( 2.419 2.419 -4.428) 5.596 4.957 ( -3.869 -3.869 -35.179) 35.603 5.686 ( 4.722 4.722 -16.029) 17.365 5.737 ( 1.973 1.973 -16.543) 16.776 7.094 ( 1.213 1.213 -3.859) 4.223 7.125 ( 3.510 3.510 12.963) 13.881 7.596 ( 3.677 3.677 2.322) 5.695 7.647 ( 0.533 0.533 3.721) 3.796 8.217 ( 1.414 1.414 8.480) 8.713 8.220 ( 1.470 1.470 6.999) 7.301 8.419 ( -4.723 -4.723 7.473) 10.023 8.611 ( -12.590 -12.590 -0.055) 17.805 10.376 ( 3.777 3.777 -6.613) 8.501 10.426 ( 0.257 0.257 -6.723) 6.733 11.054 ( 0.653 0.653 6.260) 6.328 13.629 ( 1.682 1.682 6.822) 7.225 13.640 ( 0.933 0.933 6.958) 7.082 14.664 ( 17.848 17.848 6.230) 25.999 14.922 ( 4.979 4.979 10.376) 12.540 15.242 ( -2.404 -2.404 -5.754) 6.684 15.734 ( -7.099 -7.099 2.175) 10.272 16.399 ( 6.811 6.811 -1.268) 9.715 16.455 ( 5.414 5.414 0.514) 7.674 16.953 ( -8.523 -8.523 -0.669) 12.072 17.300 ( -17.300 -17.300 13.890) 28.134 19.675 ( 6.920 6.920 -12.156) 15.606 20.985 ( 2.422 2.422 10.992) 11.513 22.528 ( -0.087 -0.087 -5.878) 5.880 22.599 ( -4.389 -4.389 -3.069) 6.924 24.593 ( -0.707 -0.707 0.139) 1.009 24.855 ( 0.502 0.502 -0.041) 0.711======================= Grid point 238 (81/126) =======================q-point: (-0.09 -0.18 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.454 ( -3.445 -0.000 -28.735) 28.941 1.565 ( -18.021 0.000 -26.163) 31.768 3.082 ( -13.756 -0.000 -54.637) 56.342 3.514 ( -0.078 0.000 6.008) 6.009 3.621 ( -14.238 0.000 8.226) 16.443 4.411 ( -7.645 -0.000 -30.794) 31.728 4.543 ( 3.007 -0.000 -7.793) 8.354 5.455 ( 7.194 -0.000 -15.438) 17.032 5.518 ( -1.555 -0.000 -16.216) 16.290 7.012 ( 1.377 -0.000 -6.221) 6.372 7.338 ( 8.638 -0.000 7.230) 11.264 7.599 ( 3.303 -0.000 -2.721) 4.280 7.684 ( -3.952 0.000 2.328) 4.587 8.302 ( 5.912 -0.000 7.009) 9.169 8.431 ( -3.321 0.000 4.619) 5.689 8.472 ( -5.968 0.000 7.350) 9.467 8.538 ( -9.184 0.000 4.606) 10.274 10.310 ( 3.780 -0.000 -4.478) 5.861 10.348 ( -1.625 -0.000 -3.566) 3.919 11.141 ( 0.728 0.000 4.374) 4.434 13.760 ( 2.516 0.000 9.051) 9.394 13.776 ( 0.106 0.000 9.007) 9.007 14.893 ( 29.986 -0.000 6.208) 30.622 15.103 ( -0.779 -0.000 -7.201) 7.243 15.178 ( 0.587 0.000 11.716) 11.731 15.678 ( -11.000 0.000 -0.443) 11.009 16.420 ( 13.919 -0.000 -0.490) 13.928 16.579 ( 0.094 0.000 1.541) 1.544 16.819 ( 0.434 -0.000 -0.725) 0.846 17.428 ( -29.943 0.000 18.054) 34.965 19.533 ( 10.982 -0.000 -13.893) 17.710 21.171 ( 1.862 0.000 10.826) 10.985 22.422 ( -0.008 -0.000 -7.773) 7.773 22.492 ( -8.975 0.000 -4.748) 10.154 24.590 ( -0.136 0.000 -0.054) 0.146 24.858 ( 0.609 -0.000 -0.159) 0.629======================= Grid point 249 (82/126) =======================q-point: (-0.09 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.961 ( 0.000 -0.000 -31.383) 31.383 0.961 ( 0.000 -0.000 -31.383) 31.383 2.062 ( 0.000 -0.000 -63.864) 63.864 3.622 ( -0.000 0.000 7.169) 7.169 3.622 ( -0.000 0.000 7.169) 7.169 3.921 ( 0.000 -0.000 -24.208) 24.208 4.443 ( 0.000 -0.000 -7.350) 7.350 5.278 ( 0.000 -0.000 -13.391) 13.391 5.278 ( 0.000 -0.000 -13.391) 13.391 6.914 ( 0.000 -0.000 -6.510) 6.510 7.549 ( 0.000 -0.000 -5.155) 5.155 7.549 ( 0.000 -0.000 -5.155) 5.155 7.625 ( -0.000 0.000 10.042) 10.042 8.353 ( 0.000 -0.000 -0.294) 0.294 8.531 ( -0.000 0.000 5.337) 5.337 8.531 ( -0.000 0.000 5.337) 5.337 8.572 ( -0.000 0.000 7.450) 7.450 10.290 ( 0.000 -0.000 -1.714) 1.714 10.290 ( 0.000 -0.000 -1.714) 1.714 11.198 ( -0.000 0.000 2.572) 2.572 13.916 ( -0.000 0.000 8.657) 8.657 13.916 ( -0.000 0.000 8.657) 8.657 14.978 ( 0.000 -0.000 -6.009) 6.009 15.339 ( -0.000 0.000 8.232) 8.232 15.339 ( -0.000 0.000 8.232) 8.232 15.513 ( 0.000 -0.000 -2.007) 2.007 16.615 ( -0.000 0.000 2.979) 2.979 16.615 ( -0.000 0.000 2.979) 2.979 16.778 ( 0.000 -0.000 -1.383) 1.383 17.406 ( -0.000 0.000 14.649) 14.649 19.433 ( 0.000 -0.000 -11.820) 11.820 21.334 ( -0.000 0.000 8.653) 8.653 22.302 ( 0.000 -0.000 -7.472) 7.472 22.302 ( 0.000 -0.000 -7.472) 7.472 24.593 ( -0.000 0.000 0.115) 0.115 24.860 ( 0.000 -0.000 -0.176) 0.176======================= Grid point 274 (83/126) =======================q-point: ( 0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.775 ( 17.827 17.827 6.619) 26.066 3.291 ( 6.353 6.353 -0.724) 9.014 3.833 ( 6.343 6.343 5.917) 10.746 3.833 ( -3.706 -3.706 -3.223) 6.153 4.652 ( 2.358 2.358 -0.804) 3.430 4.689 ( 4.755 4.755 14.119) 15.639 5.149 ( 1.147 1.147 12.498) 12.603 5.171 ( -7.868 -7.868 12.438) 16.688 5.991 ( 9.476 9.476 15.487) 20.480 6.629 ( -7.700 -7.700 0.512) 10.902 7.056 ( 1.785 1.785 -6.148) 6.646 7.400 ( -2.996 -2.996 0.507) 4.267 7.809 ( 7.782 7.782 -5.826) 12.452 8.211 ( 0.296 0.296 -0.720) 0.833 8.254 ( 0.108 0.108 -4.666) 4.669 8.530 ( -4.625 -4.625 -3.773) 7.551 9.603 ( 7.805 7.805 9.515) 14.573 9.914 ( -4.426 -4.426 6.921) 9.332 10.430 ( 2.263 2.263 -5.452) 6.322 10.832 ( -4.889 -4.889 -7.680) 10.334 13.435 ( -1.749 -1.749 -7.003) 7.427 13.468 ( -2.566 -2.566 -6.669) 7.593 13.882 ( 0.441 0.441 -8.935) 8.957 14.308 ( -8.146 -8.146 -12.244) 16.811 15.468 ( 2.963 2.963 6.570) 7.792 15.724 ( -3.182 -3.182 5.154) 6.842 16.198 ( -0.822 -0.822 0.303) 1.202 16.242 ( -0.972 -0.972 -0.173) 1.386 17.729 ( 9.187 9.187 5.659) 14.171 18.232 ( 0.110 0.110 2.152) 2.158 19.442 ( 7.790 7.790 -2.775) 11.360 20.422 ( -11.401 -11.401 -12.129) 20.175 22.592 ( 1.670 1.670 6.482) 6.898 22.746 ( -1.326 -1.326 2.638) 3.237 24.717 ( 1.521 1.521 0.829) 2.305 24.794 ( -0.721 -0.721 0.922) 1.375======================= Grid point 275 (84/126) =======================q-point: ( 0.27 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.072 ( 16.121 12.542 4.569) 20.930 3.275 ( 8.626 -5.197 -2.074) 10.282 3.761 ( -3.225 0.120 -2.167) 3.887 4.010 ( -0.493 5.208 3.991) 6.580 4.596 ( 8.827 -3.944 -1.526) 9.787 4.885 ( -3.965 1.982 4.880) 6.592 5.212 ( -8.146 -3.214 4.128) 9.681 5.318 ( -8.981 1.504 4.623) 10.213 6.301 ( 5.808 5.775 8.643) 11.908 6.540 ( -2.850 -4.718 -0.783) 5.568 7.003 ( 8.428 1.356 -2.966) 9.037 7.379 ( -5.930 -1.233 0.309) 6.065 7.847 ( 12.710 4.123 -1.080) 13.405 8.148 ( 6.313 -1.711 -2.193) 6.899 8.240 ( -4.080 1.637 -1.618) 4.685 8.434 ( -10.803 -2.892 -1.146) 11.242 9.773 ( 10.877 2.272 3.044) 11.521 9.984 ( -1.656 0.015 4.587) 4.877 10.412 ( -0.390 1.767 -0.459) 1.867 10.653 ( -7.790 -3.854 -5.949) 10.532 13.330 ( 0.060 -1.553 -2.616) 3.043 13.377 ( -4.124 -0.327 -2.714) 4.948 13.790 ( 2.999 0.177 -3.281) 4.449 14.095 ( -11.752 -2.891 -4.905) 13.058 15.580 ( 4.049 1.612 2.952) 5.264 15.748 ( -2.253 -1.664 2.193) 3.558 16.197 ( -0.702 -0.096 0.363) 0.796 16.220 ( -1.634 -0.511 -0.935) 1.951 17.875 ( 16.999 2.514 2.531) 17.369 18.265 ( -3.031 1.388 0.447) 3.363 19.525 ( 6.761 5.026 0.515) 8.440 20.139 ( -14.915 -6.960 -5.996) 17.517 22.683 ( 1.978 1.039 2.610) 3.435 22.755 ( -0.427 -0.931 0.655) 1.216 24.743 ( 1.572 0.788 0.351) 1.793 24.795 ( -0.663 -0.430 0.323) 0.854======================= Grid point 281 (85/126) =======================q-point: (-0.18 0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.179 ( 19.158 0.000 -0.000) 19.158 1.754 ( 31.380 0.000 -0.000) 31.380 3.586 ( 49.129 0.000 -0.000) 49.129 3.866 ( 12.979 0.000 -0.000) 12.979 3.997 ( -6.291 -0.000 0.000) 6.291 4.180 ( -1.233 -0.000 0.000) 1.233 4.675 ( 26.516 0.000 -0.000) 26.516 5.144 ( 3.691 0.000 -0.000) 3.691 5.175 ( -5.592 -0.000 0.000) 5.592 6.746 ( -0.157 -0.000 0.000) 0.157 6.850 ( -19.504 -0.000 0.000) 19.504 7.734 ( 9.295 0.000 -0.000) 9.295 7.898 ( 0.703 0.000 -0.000) 0.703 8.406 ( -0.039 -0.000 0.000) 0.039 8.518 ( 0.774 0.000 -0.000) 0.774 8.603 ( -1.025 -0.000 0.000) 1.025 8.867 ( 3.129 0.000 -0.000) 3.129 9.881 ( -12.886 -0.000 0.000) 12.886 10.671 ( 3.888 0.000 -0.000) 3.888 11.189 ( -1.858 -0.000 0.000) 1.858 13.766 ( -2.077 -0.000 0.000) 2.077 14.052 ( -0.654 -0.000 0.000) 0.654 14.283 ( 4.305 0.000 -0.000) 4.305 15.017 ( 2.871 0.000 -0.000) 2.871 15.373 ( -2.693 -0.000 0.000) 2.693 15.557 ( -2.792 -0.000 0.000) 2.792 16.155 ( -2.482 -0.000 0.000) 2.482 16.667 ( -0.516 -0.000 0.000) 0.516 16.739 ( 1.797 0.000 -0.000) 1.797 17.928 ( -9.975 -0.000 0.000) 9.975 19.661 ( 16.972 0.000 -0.000) 16.972 21.313 ( -6.930 -0.000 0.000) 6.930 22.174 ( 0.154 0.000 -0.000) 0.154 22.592 ( -10.545 -0.000 0.000) 10.545 24.572 ( 1.404 0.000 -0.000) 1.404 24.845 ( -0.323 -0.000 0.000) 0.323======================= Grid point 286 (86/126) =======================q-point: (-0.73 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.277 ( 6.502 6.502 2.191) 9.452 3.340 ( 0.487 0.487 -0.313) 0.756 3.731 ( 6.651 6.651 -2.837) 9.825 3.986 ( -8.784 -8.784 1.185) 12.479 4.668 ( 7.303 7.303 -3.314) 10.847 4.845 ( -5.112 -5.112 -1.065) 7.307 5.155 ( -0.592 -0.592 -3.008) 3.123 5.247 ( -6.178 -6.178 -0.596) 8.757 6.407 ( 2.684 2.684 -2.554) 4.575 6.462 ( -1.556 -1.556 -5.483) 5.908 7.104 ( 7.670 7.670 0.159) 10.848 7.299 ( -6.147 -6.147 0.340) 8.699 8.024 ( 8.523 8.523 3.357) 12.513 8.193 ( 1.954 1.954 0.422) 2.796 8.197 ( -1.787 -1.787 1.988) 3.216 8.290 ( -7.260 -7.260 0.156) 10.269 9.858 ( 6.969 6.969 -7.554) 12.418 9.982 ( -2.553 -2.553 -3.956) 5.356 10.470 ( -0.323 -0.323 7.769) 7.783 10.520 ( -3.846 -3.846 2.668) 6.058 13.331 ( -0.607 -0.607 2.856) 2.982 13.335 ( -0.898 -0.898 2.356) 2.677 13.847 ( 2.577 2.577 5.036) 6.217 13.961 ( -5.650 -5.650 3.691) 8.802 15.633 ( 3.023 3.023 -2.795) 5.107 15.706 ( -2.251 -2.251 -3.233) 4.537 16.198 ( -0.302 -0.302 -0.125) 0.445 16.199 ( -0.411 -0.411 0.776) 0.969 18.062 ( 7.491 7.491 -1.719) 10.733 18.195 ( -1.667 -1.667 -4.429) 5.018 19.685 ( 6.171 6.171 6.809) 11.069 19.915 ( -10.018 -10.018 1.803) 14.281 22.714 ( 1.104 1.104 -1.513) 2.174 22.735 ( -0.389 -0.389 -2.334) 2.397 24.762 ( 1.037 1.037 -0.315) 1.500 24.785 ( -0.682 -0.682 -0.419) 1.051======================= Grid point 288 (87/126) =======================q-point: (-0.64 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.217 ( 12.476 -12.476 -1.816) 17.737 3.369 ( -0.104 0.104 1.484) 1.492 3.774 ( 1.041 -1.041 -0.852) 1.701 3.891 ( -3.700 3.700 -5.045) 7.269 4.687 ( 1.585 -1.585 -1.726) 2.829 4.740 ( -0.883 0.883 -6.533) 6.652 5.086 ( 1.141 -1.141 -7.376) 7.550 5.142 ( -1.696 1.696 -7.196) 7.585 6.227 ( 7.856 -7.856 -12.058) 16.396 6.428 ( -7.202 7.202 -6.556) 12.113 7.143 ( 4.608 -4.608 1.957) 6.804 7.285 ( -5.218 5.218 -0.304) 7.385 8.063 ( 10.280 -10.280 6.022) 15.736 8.224 ( 0.494 -0.494 0.915) 1.152 8.247 ( -0.511 0.511 2.750) 2.843 8.340 ( -8.856 8.856 5.621) 13.728 9.751 ( 3.454 -3.454 -12.089) 13.039 9.823 ( -2.505 2.505 -10.323) 10.914 10.533 ( 5.104 -5.104 9.399) 11.851 10.686 ( -5.748 5.748 9.286) 12.341 13.405 ( -0.393 0.393 7.153) 7.175 13.415 ( -1.196 1.196 7.010) 7.211 13.951 ( 4.295 -4.295 10.921) 12.497 14.103 ( -6.758 6.758 11.980) 15.325 15.551 ( 3.100 -3.100 -6.836) 8.121 15.636 ( -3.211 3.211 -6.448) 7.886 16.193 ( 0.341 -0.341 -0.205) 0.524 16.213 ( -1.041 1.041 0.059) 1.473 17.964 ( 7.936 -7.936 -7.307) 13.392 18.150 ( -5.436 5.436 -7.272) 10.582 19.731 ( 12.530 -12.530 9.669) 20.187 20.086 ( -13.095 13.095 11.828) 21.975 22.643 ( 2.030 -2.030 -5.923) 6.582 22.699 ( -2.000 2.000 -4.605) 5.404 24.751 ( 1.036 -1.036 -0.966) 1.754 24.775 ( -0.742 0.742 -1.018) 1.462======================= Grid point 292 (88/126) =======================q-point: (-0.27 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 13.766 -38.499 -0.000) 40.886 2.210 ( 28.165 -6.612 -0.000) 28.931 3.796 ( -1.151 6.883 0.000) 6.979 4.029 ( 1.564 3.903 0.000) 4.205 4.151 ( 7.174 1.148 -0.000) 7.265 4.214 ( 21.678 -6.680 -0.000) 22.684 4.961 ( 23.017 12.221 -0.000) 26.060 5.065 ( 11.394 6.873 -0.000) 13.307 5.389 ( 10.720 -11.115 -0.000) 15.443 6.501 ( -27.761 0.101 0.000) 27.761 6.797 ( 0.032 -5.932 -0.000) 5.933 7.730 ( 3.970 9.903 0.000) 10.669 8.005 ( 0.920 -8.563 -0.000) 8.612 8.370 ( -0.669 3.872 0.000) 3.929 8.501 ( 4.084 2.743 -0.000) 4.919 8.678 ( 0.445 -7.094 -0.000) 7.108 8.906 ( 2.129 -0.366 -0.000) 2.161 9.679 ( -13.969 2.832 0.000) 14.253 10.735 ( 4.233 -1.223 -0.000) 4.407 11.155 ( -2.363 0.864 0.000) 2.516 13.757 ( 0.114 -0.605 -0.000) 0.616 14.015 ( -0.362 3.559 0.000) 3.577 14.370 ( 5.878 -2.064 -0.000) 6.230 15.044 ( 1.538 1.400 0.000) 2.079 15.309 ( -2.134 3.011 0.000) 3.691 15.528 ( -3.521 -1.277 0.000) 3.745 16.124 ( -1.287 0.520 0.000) 1.388 16.494 ( 0.862 13.869 0.000) 13.896 16.956 ( 0.909 -16.747 -0.000) 16.772 17.785 ( -9.228 1.329 0.000) 9.323 19.906 ( 15.087 -3.855 -0.000) 15.571 21.185 ( -9.301 2.658 0.000) 9.674 22.171 ( 0.352 0.645 0.000) 0.735 22.460 ( -8.930 -0.015 0.000) 8.930 24.597 ( 0.996 -1.185 -0.000) 1.548 24.825 ( -0.704 1.697 0.000) 1.837======================= Grid point 293 (89/126) =======================q-point: (-0.18 0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 15.333 -0.000 7.199) 16.938 2.301 ( 27.503 -0.000 16.316) 31.978 3.862 ( -3.416 0.000 0.918) 3.537 4.002 ( 12.958 -0.000 -6.311) 14.413 4.093 ( -0.425 -0.000 -1.225) 1.296 4.288 ( 19.257 -0.000 9.536) 21.489 5.041 ( 24.692 -0.000 1.455) 24.735 5.238 ( 15.275 -0.000 2.132) 15.423 5.321 ( 8.767 -0.000 12.633) 15.377 6.483 ( -25.574 0.000 -0.748) 25.585 6.813 ( -3.793 0.000 6.103) 7.186 7.784 ( 7.393 -0.000 -9.203) 11.805 7.862 ( -2.164 0.000 -2.691) 3.453 8.350 ( -1.972 -0.000 -5.697) 6.028 8.604 ( 2.948 0.000 6.220) 6.883 8.620 ( 0.706 0.000 1.634) 1.780 8.893 ( 1.964 -0.000 -0.394) 2.003 9.731 ( -12.033 0.000 4.044) 12.694 10.702 ( 4.724 -0.000 -3.088) 5.644 11.143 ( -2.380 0.000 -2.280) 3.295 13.723 ( -0.509 -0.000 -3.828) 3.862 14.000 ( -0.766 -0.000 -5.272) 5.327 14.311 ( 5.398 -0.000 -5.654) 7.817 15.072 ( 2.396 -0.000 2.580) 3.521 15.311 ( -2.911 0.000 -3.261) 4.372 15.510 ( -3.868 0.000 -0.107) 3.870 16.149 ( -1.379 0.000 2.409) 2.776 16.640 ( -0.449 -0.000 -2.347) 2.390 16.774 ( 2.501 -0.000 0.479) 2.547 17.865 ( -10.333 0.000 8.759) 13.546 19.807 ( 16.018 -0.000 -8.881) 18.316 21.167 ( -9.075 0.000 -4.733) 10.236 22.212 ( 0.184 0.000 4.557) 4.561 22.490 ( -8.102 0.000 3.887) 8.986 24.598 ( 0.995 -0.000 1.254) 1.601 24.832 ( -0.813 0.000 -0.599) 1.010======================= Grid point 303 (90/126) =======================q-point: (-0.36 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.463 ( 9.363 -45.127 -0.000) 46.088 2.682 ( 22.357 -12.018 -0.000) 25.383 3.671 ( -4.373 5.968 0.000) 7.399 3.868 ( -7.992 8.889 0.000) 11.953 4.222 ( 7.179 4.749 -0.000) 8.608 4.475 ( 5.718 -4.130 -0.000) 7.054 5.027 ( 12.695 11.328 0.000) 17.014 5.186 ( 17.554 10.974 -0.000) 20.702 5.694 ( 16.460 -3.056 -0.000) 16.742 6.178 ( -17.637 -2.342 0.000) 17.792 6.921 ( 2.735 -10.021 -0.000) 10.387 7.618 ( -2.777 8.066 0.000) 8.531 8.079 ( -1.083 -3.138 -0.000) 3.319 8.298 ( -0.936 5.433 0.000) 5.513 8.589 ( 7.059 -4.638 -0.000) 8.447 8.774 ( -0.074 -6.214 -0.000) 6.215 8.935 ( 1.354 -0.539 -0.000) 1.458 9.429 ( -13.351 6.266 0.000) 14.749 10.819 ( 4.397 -2.548 -0.000) 5.082 11.099 ( -2.939 2.083 0.000) 3.603 13.783 ( 1.982 -1.018 -0.000) 2.228 13.957 ( -0.225 4.330 0.000) 4.336 14.494 ( 8.066 -2.288 -0.000) 8.385 14.986 ( -1.578 7.398 0.000) 7.564 15.283 ( 0.576 -1.296 -0.000) 1.418 15.485 ( -4.309 -0.192 0.000) 4.313 16.114 ( 1.233 0.661 -0.000) 1.400 16.337 ( 0.730 10.827 0.000) 10.852 17.182 ( 0.472 -14.740 -0.000) 14.748 17.647 ( -8.967 0.771 0.000) 9.000 20.173 ( 12.928 -7.446 -0.000) 14.919 20.989 ( -11.184 5.519 0.000) 12.471 22.174 ( 0.830 -0.187 -0.000) 0.851 22.350 ( -6.621 0.683 0.000) 6.656 24.632 ( 1.161 -1.872 -0.000) 2.203 24.784 ( -1.247 2.281 0.000) 2.600======================= Grid point 304 (91/126) =======================q-point: (-0.27 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.905 ( 11.512 -31.542 2.569) 33.675 2.697 ( 23.406 -6.510 15.287) 28.704 3.754 ( -4.567 4.851 1.039) 6.743 3.936 ( -8.628 6.915 -3.089) 11.481 4.246 ( 8.071 -6.842 -3.173) 11.046 4.474 ( 8.241 1.648 6.873) 10.857 5.233 ( 11.584 10.355 5.505) 16.484 5.369 ( 23.844 12.101 4.586) 27.129 5.669 ( 22.469 -6.320 4.279) 23.730 6.142 ( -23.523 -5.146 3.522) 24.335 6.832 ( 0.344 -5.777 3.051) 6.542 7.710 ( -3.327 7.851 -2.691) 8.942 7.957 ( 0.912 -7.354 -7.635) 10.640 8.308 ( -1.237 2.251 -6.072) 6.593 8.557 ( 2.475 4.409 -0.310) 5.066 8.729 ( -0.238 -6.804 2.531) 7.264 8.909 ( -0.358 -0.751 -0.061) 0.834 9.566 ( -9.052 2.569 8.578) 12.732 10.773 ( 4.740 -1.077 -2.595) 5.510 11.102 ( -2.617 1.115 -2.446) 3.751 13.737 ( 1.827 -0.532 -4.510) 4.895 13.968 ( -0.645 2.873 -5.103) 5.892 14.416 ( 8.136 -1.512 -6.710) 10.654 15.071 ( 0.483 4.615 1.259) 4.808 15.262 ( -1.475 0.621 -2.573) 3.030 15.468 ( -3.956 -1.127 -0.516) 4.146 16.140 ( 0.642 0.343 2.130) 2.251 16.494 ( 0.624 12.992 -1.278) 13.070 16.973 ( 0.983 -16.418 0.384) 16.452 17.718 ( -10.577 0.523 7.722) 13.106 20.032 ( 13.632 -3.510 -7.850) 16.118 21.009 ( -10.734 3.209 -4.713) 12.154 22.214 ( 0.372 0.073 4.763) 4.778 22.393 ( -6.416 -0.182 4.966) 8.115 24.619 ( 1.028 -1.040 0.987) 1.764 24.807 ( -1.379 1.268 -0.267) 1.892======================= Grid point 305 (92/126) =======================q-point: (-0.18 0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.785 ( 10.207 -0.000 9.487) 13.935 2.925 ( 22.734 -0.000 18.364) 29.225 3.818 ( -7.824 0.000 2.210) 8.130 4.003 ( -9.173 0.000 2.413) 9.485 4.022 ( 10.915 -0.000 -11.691) 15.994 4.646 ( 7.917 -0.000 12.008) 14.383 5.397 ( 18.910 -0.000 6.826) 20.105 5.582 ( 22.877 -0.000 2.505) 23.014 5.717 ( 15.433 -0.000 15.101) 21.592 6.193 ( -20.144 0.000 8.412) 21.830 6.850 ( -1.961 0.000 3.484) 3.998 7.670 ( 4.693 -0.000 -15.688) 16.375 7.761 ( -6.442 0.000 -2.929) 7.076 8.194 ( -2.369 -0.000 -10.290) 10.559 8.641 ( -3.892 0.000 -2.729) 4.754 8.651 ( -0.132 0.000 1.397) 1.403 8.956 ( -1.419 0.000 7.318) 7.454 9.732 ( -2.561 0.000 10.296) 10.610 10.714 ( 5.409 -0.000 -4.308) 6.915 11.058 ( -2.623 0.000 -4.111) 4.877 13.637 ( 1.373 -0.000 -7.743) 7.864 13.882 ( -0.761 -0.000 -8.238) 8.273 14.256 ( 7.577 -0.000 -12.414) 14.544 15.158 ( 1.883 0.000 4.695) 5.058 15.193 ( -2.753 -0.000 -7.028) 7.547 15.467 ( -4.543 0.000 2.394) 5.135 16.180 ( -0.036 0.000 2.625) 2.625 16.596 ( -0.254 -0.000 -2.467) 2.480 16.812 ( 2.414 -0.000 -0.098) 2.416 17.877 ( -12.483 0.000 11.806) 17.181 19.865 ( 15.194 -0.000 -10.346) 18.382 20.936 ( -9.801 0.000 -7.797) 12.524 22.309 ( 0.190 0.000 7.342) 7.345 22.487 ( -5.370 0.000 7.057) 8.868 24.633 ( 0.506 0.000 1.578) 1.657 24.810 ( -1.019 0.000 -0.418) 1.102======================= Grid point 314 (93/126) =======================q-point: (-0.45 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.079 ( 15.287 -16.951 -0.000) 22.826 3.160 ( 4.951 -29.617 -0.000) 30.028 3.480 ( -8.571 8.911 0.000) 12.364 3.608 ( -15.446 6.236 0.000) 16.657 4.282 ( 9.387 -0.132 -0.000) 9.387 4.463 ( -6.023 5.781 0.000) 8.349 5.052 ( 10.354 5.618 -0.000) 11.780 5.154 ( 5.470 13.877 0.000) 14.916 5.919 ( 14.474 -0.380 -0.000) 14.478 6.070 ( -0.180 6.455 0.000) 6.458 7.150 ( 7.753 -12.401 -0.000) 14.625 7.422 ( -9.414 8.666 0.000) 12.795 8.113 ( 1.572 -2.714 -0.000) 3.137 8.198 ( -2.800 4.822 0.000) 5.576 8.771 ( 3.341 -8.338 -0.000) 8.983 8.831 ( -2.566 -4.118 -0.000) 4.852 8.976 ( 4.375 -2.057 -0.000) 4.834 9.162 ( -9.942 8.813 0.000) 13.286 10.920 ( 4.181 -3.407 -0.000) 5.393 11.019 ( -3.439 3.348 0.000) 4.800 13.833 ( 3.277 -0.945 -0.000) 3.411 13.894 ( -0.547 4.075 0.000) 4.111 14.651 ( 10.071 -2.553 -0.000) 10.389 14.829 ( -2.701 10.388 0.000) 10.733 15.339 ( 1.517 -4.014 -0.000) 4.292 15.417 ( -4.635 1.023 0.000) 4.747 16.144 ( 4.428 0.543 -0.000) 4.461 16.220 ( 0.510 7.687 0.000) 7.704 17.367 ( 0.042 -12.057 -0.000) 12.057 17.515 ( -9.926 0.086 0.000) 9.927 20.456 ( 10.738 -10.347 -0.000) 14.912 20.738 ( -11.694 8.295 0.000) 14.338 22.203 ( 1.275 -1.979 -0.000) 2.354 22.262 ( -4.205 1.273 0.000) 4.393 24.679 ( 1.697 -2.075 -0.000) 2.681 24.732 ( -1.807 2.178 0.000) 2.830======================= Grid point 315 (94/126) =======================q-point: (-0.36 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.543 ( 8.084 -39.707 -2.380) 40.591 3.093 ( 16.745 -10.745 14.703) 24.739 3.577 ( -15.184 5.057 -1.156) 16.046 3.698 ( -8.955 8.010 0.491) 12.025 4.359 ( 2.922 1.038 3.977) 5.043 4.535 ( 4.873 1.855 0.989) 5.307 5.163 ( 5.711 14.145 3.433) 15.635 5.418 ( 9.074 12.607 7.083) 17.071 5.952 ( 15.723 0.318 4.009) 16.229 6.120 ( 6.251 -1.492 1.944) 6.714 6.983 ( 4.302 -11.857 1.020) 12.654 7.522 ( -9.852 6.457 -0.439) 11.787 8.044 ( 0.717 -4.483 -4.374) 6.304 8.250 ( -2.392 3.332 -3.112) 5.148 8.577 ( 3.325 -1.949 -8.895) 9.694 8.762 ( -4.329 -1.942 -6.404) 7.970 8.915 ( -2.688 -3.621 3.025) 5.430 9.434 ( -2.670 4.499 16.215) 17.038 10.860 ( 4.610 -2.221 -2.512) 5.700 11.040 ( -2.867 2.567 -2.465) 4.570 13.782 ( 3.343 -0.745 -4.890) 5.970 13.912 ( -0.572 3.968 -4.929) 6.353 14.566 ( 10.249 -1.954 -6.961) 12.543 14.953 ( -1.620 10.180 -1.822) 10.468 15.275 ( 0.409 -2.592 -1.567) 3.056 15.426 ( -3.846 -0.497 0.469) 3.906 16.162 ( 3.581 0.438 1.381) 3.863 16.343 ( 0.456 10.127 -0.281) 10.141 17.197 ( -0.031 -15.290 1.586) 15.372 17.566 ( -11.317 -0.082 6.390) 12.996 20.271 ( 11.012 -6.926 -7.606) 15.070 20.796 ( -10.900 6.132 -4.683) 13.355 22.226 ( 0.652 -0.950 5.129) 5.256 22.319 ( -4.455 0.292 5.489) 7.075 24.654 ( 1.166 -1.752 0.331) 2.130 24.765 ( -1.629 1.778 0.474) 2.458======================= Grid point 316 (95/126) =======================q-point: (-0.27 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.096 ( 7.790 -25.589 4.856) 27.186 3.237 ( 17.418 -4.113 15.069) 23.395 3.607 ( -20.849 1.833 0.899) 20.948 3.840 ( -1.139 8.941 2.292) 9.300 4.250 ( 6.814 -9.504 -8.310) 14.347 4.664 ( -1.440 2.871 10.978) 11.438 5.506 ( 9.968 14.798 10.368) 20.636 5.675 ( 9.869 9.698 5.890) 15.038 6.021 ( 15.998 -3.547 6.661) 17.689 6.141 ( 9.317 -3.388 8.667) 13.168 6.879 ( 0.402 -6.498 1.791) 6.753 7.581 ( -8.394 5.360 -2.840) 10.356 7.810 ( 1.528 -8.260 -13.792) 16.149 8.165 ( -1.852 -0.294 -9.188) 9.377 8.507 ( -6.196 4.875 -5.231) 9.461 8.668 ( -3.143 -1.180 -2.404) 4.129 8.932 ( -5.528 -4.183 6.036) 9.192 9.726 ( 3.217 2.067 15.664) 16.124 10.789 ( 5.114 -0.696 -4.009) 6.535 11.015 ( -2.436 1.405 -4.199) 5.054 13.673 ( 3.362 -0.352 -7.981) 8.667 13.854 ( -0.713 2.488 -8.097) 8.500 14.393 ( 11.035 -1.132 -12.508) 16.718 15.050 ( -1.560 10.618 -4.614) 11.681 15.232 ( 0.286 -3.181 1.224) 3.421 15.426 ( -3.916 -2.036 2.273) 4.965 16.193 ( 2.357 0.229 1.903) 3.038 16.478 ( 0.323 11.373 -1.429) 11.467 16.992 ( 0.792 -16.698 0.525) 16.725 17.695 ( -14.052 0.080 9.855) 17.163 20.069 ( 12.237 -2.585 -9.671) 15.810 20.776 ( -9.452 3.887 -6.625) 12.179 22.316 ( 0.280 -0.660 7.552) 7.586 22.424 ( -4.200 -0.235 7.828) 8.887 24.643 ( 0.078 -0.923 0.679) 1.149 24.790 ( -0.955 0.783 0.453) 1.315======================= Grid point 317 (96/126) =======================q-point: (-0.18 0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.034 ( 5.544 -0.000 8.756) 10.363 3.334 ( 6.097 -0.000 -1.013) 6.181 3.713 ( -13.753 0.000 10.879) 17.535 3.954 ( 8.204 -0.000 -14.103) 16.315 4.015 ( 0.823 0.000 7.731) 7.775 4.882 ( -2.274 0.000 13.852) 14.037 5.748 ( 16.334 -0.000 6.619) 17.624 5.792 ( 7.629 -0.000 1.543) 7.784 6.147 ( 15.536 -0.000 12.442) 19.904 6.308 ( 5.775 0.000 14.632) 15.730 6.851 ( -1.912 0.000 -0.438) 1.961 7.441 ( 1.553 -0.000 -19.648) 19.709 7.614 ( -8.643 0.000 -1.825) 8.833 8.002 ( -0.699 -0.000 -10.678) 10.701 8.479 ( -10.082 0.000 -3.870) 10.800 8.645 ( -2.821 0.000 0.003) 2.821 8.997 ( -8.762 0.000 6.320) 10.804 9.957 ( 7.749 -0.000 12.496) 14.704 10.717 ( 5.420 -0.000 -5.007) 7.379 10.958 ( -2.300 -0.000 -4.272) 4.852 13.541 ( 3.495 -0.000 -8.512) 9.202 13.744 ( -0.631 -0.000 -8.197) 8.221 14.174 ( 12.006 -0.000 -14.467) 18.800 15.032 ( -2.175 -0.000 -9.052) 9.309 15.261 ( 0.797 0.000 6.099) 6.151 15.461 ( -4.499 0.000 4.812) 6.588 16.222 ( 1.460 -0.000 1.532) 2.116 16.566 ( -0.068 -0.000 -1.149) 1.151 16.831 ( 1.996 -0.000 -1.465) 2.476 17.851 ( -17.025 0.000 10.002) 19.746 19.912 ( 13.037 -0.000 -8.853) 15.758 20.703 ( -6.890 0.000 -6.185) 9.259 22.428 ( 0.173 0.000 7.573) 7.575 22.542 ( -3.510 0.000 7.511) 8.291 24.648 ( -1.102 0.000 0.681) 1.296 24.802 ( -0.060 0.000 0.569) 0.572======================= Grid point 325 (97/126) =======================q-point: ( 0.55 -0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.074 ( -11.722 -11.722 -4.023) 17.059 3.225 ( -13.465 -13.465 -4.844) 19.649 3.396 ( -2.378 -2.378 13.674) 14.081 3.499 ( 1.753 1.753 6.278) 6.750 4.363 ( 1.565 1.565 1.696) 2.788 4.543 ( 5.354 5.354 5.076) 9.116 5.098 ( 9.477 9.477 -1.584) 13.496 5.383 ( 9.194 9.194 11.685) 17.481 6.114 ( 8.124 8.124 1.314) 11.564 6.135 ( 8.310 8.310 2.406) 11.996 7.201 ( -3.287 -3.287 -3.791) 5.999 7.313 ( -3.486 -3.486 4.020) 6.361 8.100 ( -0.120 -0.120 -4.364) 4.367 8.182 ( -1.257 -1.257 1.450) 2.294 8.670 ( -2.398 -2.398 -19.814) 20.102 8.689 ( -1.350 -1.350 -5.623) 5.938 8.925 ( -4.378 -4.378 4.406) 7.599 9.384 ( 3.115 3.115 20.702) 21.165 10.945 ( 0.575 0.575 -3.078) 3.183 10.965 ( 0.460 0.460 -1.892) 2.000 13.833 ( 1.754 1.754 -5.555) 6.083 13.858 ( 1.606 1.606 -4.327) 4.887 14.703 ( 4.257 4.257 -8.408) 10.341 14.817 ( 5.082 5.082 -1.294) 7.303 15.307 ( -1.474 -1.474 -2.880) 3.555 15.394 ( -1.768 -1.768 2.267) 3.375 16.215 ( 3.792 3.792 -0.221) 5.367 16.245 ( 3.413 3.413 1.404) 5.027 17.355 ( -6.927 -6.927 1.506) 9.912 17.436 ( -6.581 -6.581 6.482) 11.342 20.471 ( -0.701 -0.701 -10.261) 10.309 20.602 ( -0.260 -0.260 -2.012) 2.045 22.251 ( -0.880 -0.880 5.003) 5.155 22.272 ( -1.011 -1.011 5.934) 6.104 24.685 ( -0.590 -0.590 -0.992) 1.296 24.730 ( 0.304 0.304 1.827) 1.877======================= Grid point 327 (98/126) =======================q-point: (-0.36 0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.619 ( 5.464 -35.344 -0.064) 35.764 3.166 ( -31.276 3.501 -3.499) 31.666 3.537 ( 10.630 -5.074 14.748) 18.874 3.713 ( -0.835 9.222 6.486) 11.306 4.428 ( 3.316 -5.959 1.361) 6.954 4.569 ( -3.984 3.652 1.281) 5.554 5.404 ( 11.705 16.782 14.239) 24.928 5.687 ( 10.142 9.634 10.067) 17.235 6.219 ( 13.451 3.368 4.045) 14.444 6.287 ( 10.348 6.598 2.434) 12.512 7.031 ( 2.099 -10.616 -2.153) 11.034 7.381 ( -10.802 2.633 2.350) 11.364 7.946 ( 1.892 -6.372 -12.645) 14.285 8.151 ( -3.224 -2.435 -3.960) 5.657 8.360 ( -7.451 0.983 -13.269) 15.250 8.628 ( -1.330 1.023 -3.124) 3.546 8.924 ( -6.770 -6.590 4.861) 10.625 9.744 ( 5.151 4.205 18.869) 20.006 10.870 ( 4.339 -1.425 -4.137) 6.162 10.954 ( -2.099 2.890 -4.129) 5.459 13.731 ( 4.072 -0.281 -8.011) 8.991 13.802 ( -0.517 3.627 -8.056) 8.850 14.565 ( 11.413 0.078 -11.881) 16.475 14.875 ( -0.032 11.448 -6.805) 13.318 15.267 ( -0.423 -1.866 1.072) 2.193 15.409 ( -3.140 -2.434 3.223) 5.116 16.241 ( 5.396 0.551 0.782) 5.480 16.344 ( 0.218 8.382 -0.129) 8.386 17.224 ( -1.111 -16.130 2.562) 16.370 17.501 ( -14.788 -1.407 7.365) 16.580 20.254 ( 7.045 -3.685 -10.889) 13.482 20.599 ( -5.327 5.309 -4.612) 8.822 22.335 ( 0.118 -1.539 7.890) 8.040 22.378 ( -2.817 -0.180 8.078) 8.557 24.656 ( -0.714 -1.386 -0.564) 1.658 24.769 ( -0.113 0.881 1.693) 1.912======================= Grid point 328 (99/126) =======================q-point: (-0.27 0.55 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.255 ( 4.211 -21.669 5.051) 22.644 3.148 ( -27.638 1.929 -4.203) 28.022 3.687 ( 7.656 1.980 5.868) 9.847 3.920 ( 4.436 6.876 4.609) 9.391 4.210 ( 4.592 -11.461 -5.201) 13.397 4.782 ( -8.740 2.066 15.152) 17.613 5.816 ( 13.062 10.997 9.383) 19.483 5.920 ( 11.997 6.385 5.617) 14.705 6.341 ( 13.447 2.533 7.752) 15.727 6.418 ( 10.766 4.046 6.581) 13.250 6.878 ( -0.218 -6.294 -2.491) 6.773 7.423 ( -6.367 1.864 -4.542) 8.040 7.568 ( -3.280 -9.289 -15.189) 18.104 8.018 ( 0.002 -3.029 -6.789) 7.434 8.293 ( -11.517 3.730 -3.570) 12.621 8.601 ( -3.283 0.553 -2.471) 4.146 8.904 ( -10.012 -5.538 3.963) 12.109 10.054 ( 8.351 2.743 15.042) 17.422 10.788 ( 4.635 -0.531 -4.907) 6.771 10.917 ( -1.931 1.753 -4.454) 5.162 13.599 ( 4.481 -0.233 -8.271) 9.410 13.718 ( -0.574 2.487 -8.113) 8.505 14.367 ( 15.443 -0.154 -13.257) 20.353 14.915 ( -1.511 11.336 -8.707) 14.374 15.285 ( -0.307 -1.878 4.441) 4.832 15.430 ( -4.175 -3.622 5.353) 7.695 16.259 ( 4.258 0.151 0.825) 4.339 16.463 ( 0.144 10.200 -0.840) 10.235 17.007 ( 0.633 -17.638 -0.055) 17.649 17.602 ( -19.367 -0.239 6.947) 20.577 20.069 ( 8.724 -0.714 -9.445) 12.877 20.600 ( -3.704 3.631 -3.096) 6.041 22.438 ( 0.134 -1.080 7.683) 7.759 22.500 ( -2.876 -0.215 7.926) 8.435 24.635 ( -1.634 -0.869 -0.187) 1.860 24.801 ( 0.330 0.399 1.306) 1.405======================= Grid point 329 (100/126) =======================q-point: (-0.18 -0.45 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.198 ( 2.254 0.000 5.584) 6.022 3.076 ( -21.873 0.000 -7.403) 23.092 3.749 ( -1.115 0.000 -0.105) 1.120 3.817 ( 4.839 -0.000 -15.339) 16.084 4.256 ( 5.890 0.000 14.208) 15.380 5.003 ( -7.659 0.000 9.919) 12.532 5.932 ( 10.846 -0.000 -1.412) 10.938 6.000 ( 12.598 -0.000 -0.867) 12.627 6.443 ( 11.903 -0.000 -3.960) 12.545 6.601 ( 4.279 0.000 10.120) 10.988 6.821 ( 1.649 -0.000 1.703) 2.370 7.172 ( -2.084 -0.000 -8.966) 9.205 7.501 ( -6.943 0.000 1.346) 7.072 7.888 ( 4.253 -0.000 -6.723) 7.955 8.295 ( -11.197 0.000 -0.254) 11.199 8.568 ( -6.282 0.000 -1.943) 6.575 8.914 ( -13.472 0.000 2.830) 13.766 10.260 ( 11.109 -0.000 8.792) 14.167 10.701 ( 4.359 -0.000 -6.015) 7.429 10.877 ( -2.090 0.000 -1.969) 2.871 13.487 ( 4.836 -0.000 -5.848) 7.589 13.628 ( -0.422 -0.000 -5.673) 5.689 14.178 ( 18.113 -0.000 -10.838) 21.108 14.881 ( -1.298 -0.000 -6.805) 6.928 15.346 ( -1.314 0.000 4.526) 4.713 15.498 ( -3.849 0.000 7.843) 8.737 16.268 ( 3.492 -0.000 0.197) 3.498 16.557 ( 0.049 -0.000 -0.111) 0.121 16.822 ( 1.612 -0.000 -2.735) 3.175 17.698 ( -23.344 0.000 5.611) 24.009 19.931 ( 9.231 -0.000 -8.647) 12.649 20.605 ( -0.579 0.000 0.553) 0.801 22.533 ( 0.132 0.000 5.483) 5.484 22.606 ( -2.649 0.000 5.994) 6.553 24.628 ( -2.263 0.000 0.058) 2.264 24.820 ( 0.700 -0.000 0.947) 1.178======================= Grid point 338 (101/126) =======================q-point: (-0.36 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.658 ( -13.440 -13.440 0.344) 19.010 2.715 ( -15.617 -15.617 0.537) 22.092 3.730 ( 8.966 8.966 -5.138) 13.681 3.911 ( 1.735 1.735 13.903) 14.118 4.352 ( -2.990 -2.990 -8.980) 9.925 4.673 ( -3.785 -3.785 18.470) 19.230 5.837 ( 14.701 14.701 14.741) 25.486 5.948 ( 10.447 10.447 4.090) 15.330 6.416 ( 7.702 7.702 2.846) 11.258 6.462 ( 8.457 8.457 4.638) 12.827 6.947 ( -3.222 -3.222 -6.764) 8.155 7.339 ( -4.496 -4.496 4.941) 8.052 7.640 ( -6.444 -6.444 -21.372) 23.234 8.072 ( -5.306 -5.306 0.153) 7.505 8.137 ( -0.434 -0.434 -6.592) 6.621 8.567 ( -1.032 -1.032 -3.696) 3.974 8.875 ( -8.963 -8.963 2.998) 13.026 10.094 ( 6.080 6.080 15.958) 18.128 10.851 ( 1.299 1.299 -3.977) 4.381 10.864 ( 0.756 0.756 -5.549) 5.651 13.657 ( 2.052 2.052 -7.725) 8.252 13.671 ( 1.609 1.609 -8.538) 8.836 14.522 ( 8.666 8.666 -12.091) 17.216 14.778 ( 6.083 6.083 -9.412) 12.751 15.295 ( -1.173 -1.173 3.606) 3.969 15.429 ( -4.260 -4.260 5.914) 8.442 16.325 ( 4.230 4.230 0.085) 5.982 16.353 ( 3.422 3.422 -0.182) 4.843 17.209 ( -9.453 -9.453 2.143) 13.539 17.397 ( -10.760 -10.760 4.116) 15.764 20.141 ( 2.254 2.254 -10.666) 11.132 20.540 ( 2.081 2.081 -0.974) 3.100 22.454 ( -0.831 -0.831 7.774) 7.862 22.475 ( -1.310 -1.310 8.030) 8.241 24.629 ( -1.516 -1.516 -0.564) 2.217 24.800 ( 0.518 0.518 1.636) 1.793======================= Grid point 339 (102/126) =======================q-point: (-0.27 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.357 ( 1.714 -18.582 2.692) 18.854 2.711 ( -27.761 1.006 -1.565) 27.823 3.723 ( 5.492 6.942 -9.219) 12.780 3.913 ( 2.336 -3.157 -13.231) 13.802 4.336 ( 1.996 -2.450 13.560) 13.923 4.890 ( -7.881 -1.498 11.460) 13.989 6.048 ( 11.949 6.276 -4.578) 14.252 6.122 ( 10.708 6.211 -0.306) 12.383 6.515 ( 6.317 7.298 -7.067) 11.963 6.672 ( 9.341 0.969 5.922) 11.102 6.796 ( -0.461 5.201 -3.604) 6.345 7.258 ( -1.756 -12.748 -2.076) 13.035 7.399 ( -8.650 -0.629 3.553) 9.372 7.981 ( 3.641 -4.768 -1.516) 6.188 8.129 ( -7.428 4.008 -0.668) 8.467 8.487 ( -5.034 -0.551 -4.767) 6.955 8.786 ( -12.828 -8.086 1.282) 15.218 10.371 ( 8.951 4.470 10.055) 14.185 10.760 ( 3.146 -1.051 -6.181) 7.014 10.834 ( -2.082 1.730 -2.235) 3.511 13.552 ( 4.362 -0.182 -5.642) 7.134 13.604 ( -0.335 2.623 -5.570) 6.166 14.430 ( 19.048 2.751 -9.101) 21.289 14.779 ( -0.271 10.757 -6.611) 12.629 15.335 ( -1.576 -1.149 3.385) 3.907 15.475 ( -5.225 -4.994 8.732) 11.335 16.337 ( 6.894 0.077 -0.287) 6.900 16.455 ( 0.096 9.992 -0.568) 10.008 17.006 ( 0.172 -18.672 -0.693) 18.685 17.376 ( -23.496 -1.218 2.186) 23.629 20.021 ( 5.309 1.745 -8.558) 10.221 20.592 ( 1.787 2.594 2.842) 4.243 22.542 ( -0.011 -1.028 5.469) 5.565 22.575 ( -2.248 -0.434 6.059) 6.477 24.606 ( -1.887 -1.001 -0.170) 2.143 24.827 ( 0.576 0.310 1.104) 1.283======================= Grid point 340 (103/126) =======================q-point: (-0.18 -0.36 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( 0.358 -0.000 -1.259) 1.309 2.649 ( -22.186 0.000 -8.047) 23.600 3.631 ( 1.725 -0.000 -13.838) 13.945 3.667 ( -3.177 -0.000 -5.843) 6.651 4.517 ( 4.649 0.000 9.539) 10.612 4.908 ( -10.076 0.000 -8.922) 13.458 5.992 ( 10.652 -0.000 -9.477) 14.258 6.000 ( 6.859 -0.000 -21.135) 22.221 6.249 ( -0.333 -0.000 -21.391) 21.394 6.716 ( -0.068 0.000 7.779) 7.779 7.020 ( 7.779 -0.000 8.999) 11.895 7.265 ( 4.301 0.000 13.837) 14.490 7.469 ( -4.414 0.000 5.097) 6.743 7.916 ( 9.262 -0.000 -1.860) 9.447 8.189 ( -8.619 0.000 4.457) 9.703 8.428 ( -8.666 0.000 -2.322) 8.971 8.730 ( -16.173 0.000 0.087) 16.174 10.484 ( 10.574 -0.000 -0.337) 10.580 10.646 ( 2.610 -0.000 -7.411) 7.857 10.857 ( -2.417 0.000 4.165) 4.815 13.495 ( 4.512 -0.000 -1.506) 4.756 13.567 ( -0.195 -0.000 -1.594) 1.606 14.348 ( 23.145 -0.000 -3.599) 23.423 14.809 ( -0.423 0.000 -0.597) 0.732 15.356 ( -2.192 0.000 0.231) 2.204 15.581 ( -5.435 0.000 9.779) 11.188 16.329 ( 6.510 -0.000 -0.756) 6.554 16.559 ( 0.092 0.000 0.163) 0.187 16.802 ( 1.586 -0.000 -2.328) 2.817 17.405 ( -27.723 0.000 2.808) 27.865 19.910 ( 7.248 -0.000 -8.324) 11.037 20.683 ( 2.758 0.000 6.446) 7.011 22.592 ( 0.076 0.000 1.878) 1.880 22.640 ( -2.784 0.000 2.920) 4.035 24.599 ( -1.999 0.000 0.143) 2.004 24.842 ( 0.659 -0.000 0.625) 0.908======================= Grid point 350 (104/126) =======================q-point: (-0.27 -0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.350 ( -6.090 -6.090 -4.898) 9.908 2.394 ( -9.511 -9.511 -2.186) 13.628 3.615 ( 2.135 2.135 -10.474) 10.901 3.684 ( -1.966 -1.966 -14.504) 14.768 4.552 ( 1.371 1.371 10.183) 10.366 4.826 ( -5.529 -5.529 -9.765) 12.510 6.015 ( 7.676 7.676 -20.717) 23.389 6.149 ( 3.644 3.644 -9.265) 10.601 6.201 ( 0.363 0.363 -27.734) 27.739 6.715 ( -1.600 -1.600 8.740) 9.028 7.049 ( 9.134 9.134 9.689) 16.148 7.380 ( -2.404 -2.404 14.193) 14.595 7.387 ( -1.949 -1.949 7.190) 7.700 8.043 ( -3.014 -3.014 5.958) 7.325 8.084 ( 5.433 5.433 -1.610) 7.851 8.345 ( -3.717 -3.717 -4.355) 6.826 8.615 ( -12.409 -12.409 -0.201) 17.550 10.559 ( 6.706 6.706 -1.412) 9.588 10.674 ( 0.609 0.609 -8.051) 8.097 10.828 ( -1.622 -1.622 5.950) 6.377 13.543 ( 1.469 1.469 -1.626) 2.638 13.549 ( 1.113 1.113 -1.372) 2.088 14.579 ( 13.049 13.049 -2.322) 18.599 14.741 ( 4.408 4.408 -0.418) 6.248 15.343 ( -1.488 -1.488 0.289) 2.124 15.539 ( -6.354 -6.354 9.624) 13.167 16.438 ( 5.392 5.392 -1.050) 7.698 16.453 ( 5.142 5.142 -0.328) 7.279 16.967 ( -9.089 -9.089 -0.403) 12.861 17.099 ( -13.395 -13.395 0.505) 18.950 19.962 ( 3.678 3.678 -7.432) 9.071 20.701 ( 2.173 2.173 6.934) 7.584 22.597 ( -0.302 -0.302 1.776) 1.827 22.616 ( -1.565 -1.565 2.625) 3.433 24.585 ( -1.084 -1.084 0.181) 1.544 24.847 ( 0.349 0.349 0.653) 0.818======================= Grid point 351 (105/126) =======================q-point: (-0.18 -0.27 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.146 ( -0.555 -0.000 -13.078) 13.090 2.239 ( -13.230 0.000 -14.349) 19.517 3.478 ( 0.129 -0.000 -6.663) 6.665 3.518 ( -5.708 0.000 -4.254) 7.118 4.458 ( -8.233 -0.000 -31.538) 32.594 4.661 ( 2.790 -0.000 2.383) 3.669 5.514 ( -1.148 -0.000 -39.368) 39.384 5.942 ( 7.992 -0.000 -14.271) 16.357 6.004 ( -0.512 -0.000 -14.262) 14.272 6.906 ( 1.162 0.000 15.792) 15.834 7.154 ( 2.381 -0.000 -1.302) 2.714 7.534 ( 4.986 0.000 10.075) 11.241 7.565 ( 0.807 0.000 9.049) 9.085 8.070 ( 10.354 -0.000 4.030) 11.110 8.199 ( -3.698 0.000 7.628) 8.477 8.296 ( -7.501 0.000 1.031) 7.571 8.504 ( -15.657 0.000 -0.239) 15.658 10.519 ( 5.079 -0.000 -7.798) 9.307 10.548 ( 0.900 -0.000 -8.324) 8.372 10.944 ( -0.429 0.000 8.465) 8.476 13.557 ( 2.675 -0.000 3.048) 4.055 13.576 ( -0.029 0.000 2.981) 2.981 14.676 ( 22.323 -0.000 4.604) 22.793 14.855 ( 0.079 0.000 6.634) 6.635 15.301 ( -1.493 -0.000 -3.979) 4.250 15.609 ( -9.130 0.000 6.212) 11.043 16.435 ( 11.267 -0.000 -0.683) 11.288 16.562 ( 0.069 -0.000 0.106) 0.127 16.807 ( 1.293 -0.000 0.270) 1.321 17.080 ( -25.972 0.000 4.425) 26.346 19.873 ( 5.577 -0.000 -8.398) 10.081 20.844 ( 2.145 0.000 9.525) 9.763 22.590 ( 0.026 -0.000 -2.222) 2.222 22.612 ( -3.014 0.000 -1.483) 3.359 24.582 ( -0.965 0.000 0.403) 1.046 24.857 ( 0.412 -0.000 0.299) 0.510======================= Grid point 362 (106/126) =======================q-point: (-0.18 -0.18 0.18)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.849 ( 0.000 -0.000 -24.231) 24.231 1.849 ( 0.000 -0.000 -24.231) 24.231 3.445 ( -0.000 0.000 1.916) 1.916 3.445 ( -0.000 0.000 1.916) 1.916 3.787 ( 0.000 -0.000 -46.967) 46.967 4.663 ( 0.000 -0.000 -4.405) 4.405 4.899 ( 0.000 -0.000 -37.962) 37.962 5.761 ( 0.000 -0.000 -16.491) 16.491 5.761 ( 0.000 -0.000 -16.491) 16.491 7.107 ( 0.000 -0.000 -5.263) 5.263 7.188 ( -0.000 0.000 17.740) 17.740 7.654 ( -0.000 0.000 0.790) 0.790 7.654 ( -0.000 0.000 0.790) 0.790 8.283 ( -0.000 0.000 10.466) 10.466 8.306 ( -0.000 0.000 7.300) 7.300 8.306 ( -0.000 0.000 7.300) 7.300 8.354 ( -0.000 0.000 0.486) 0.486 10.429 ( 0.000 -0.000 -7.435) 7.435 10.429 ( 0.000 -0.000 -7.435) 7.435 11.062 ( -0.000 0.000 6.632) 6.632 13.653 ( -0.000 0.000 6.869) 6.869 13.653 ( -0.000 0.000 6.869) 6.869 14.999 ( -0.000 0.000 11.421) 11.421 14.999 ( -0.000 0.000 11.421) 11.421 15.201 ( 0.000 -0.000 -7.100) 7.100 15.562 ( -0.000 0.000 0.167) 0.167 16.566 ( -0.000 0.000 0.403) 0.403 16.566 ( -0.000 0.000 0.403) 0.403 16.799 ( -0.000 0.000 0.029) 0.029 16.976 ( -0.000 0.000 10.720) 10.720 19.781 ( 0.000 -0.000 -9.737) 9.737 21.017 ( -0.000 0.000 10.874) 10.874 22.527 ( 0.000 -0.000 -5.769) 5.769 22.527 ( 0.000 -0.000 -5.769) 5.769 24.583 ( -0.000 0.000 0.487) 0.487 24.863 ( -0.000 0.000 0.075) 0.075======================= Grid point 419 (107/126) =======================q-point: (-0.27 0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.629 ( 13.600 0.000 -0.000) 13.600 2.533 ( 25.025 0.000 -0.000) 25.025 3.773 ( -6.334 -0.000 0.000) 6.334 4.016 ( -12.275 -0.000 0.000) 12.275 4.249 ( 14.337 0.000 -0.000) 14.337 4.419 ( 9.707 0.000 -0.000) 9.707 5.257 ( 7.199 0.000 -0.000) 7.199 5.461 ( 28.072 0.000 -0.000) 28.072 5.554 ( 30.973 0.000 -0.000) 30.973 6.071 ( -31.170 -0.000 0.000) 31.170 6.761 ( 0.357 0.000 -0.000) 0.357 7.800 ( -9.052 -0.000 0.000) 9.052 7.966 ( 5.998 0.000 -0.000) 5.998 8.384 ( -0.909 -0.000 0.000) 0.909 8.577 ( 2.679 0.000 -0.000) 2.679 8.634 ( 2.190 0.000 -0.000) 2.190 8.927 ( 1.443 0.000 -0.000) 1.443 9.512 ( -13.050 -0.000 0.000) 13.050 10.785 ( 4.414 0.000 -0.000) 4.414 11.129 ( -2.426 -0.000 0.000) 2.426 13.768 ( 2.114 0.000 -0.000) 2.114 14.030 ( -0.898 -0.000 0.000) 0.898 14.456 ( 8.726 0.000 -0.000) 8.726 15.079 ( 1.695 0.000 -0.000) 1.695 15.294 ( -2.994 -0.000 0.000) 2.994 15.470 ( -3.597 -0.000 0.000) 3.597 16.124 ( 0.935 0.000 -0.000) 0.935 16.653 ( -0.467 -0.000 0.000) 0.467 16.802 ( 2.152 0.000 -0.000) 2.152 17.659 ( -10.274 -0.000 0.000) 10.274 20.070 ( 12.800 0.000 -0.000) 12.800 21.065 ( -10.999 -0.000 0.000) 10.999 22.179 ( 0.222 0.000 -0.000) 0.222 22.352 ( -6.716 -0.000 0.000) 6.716 24.604 ( 1.259 0.000 -0.000) 1.259 24.819 ( -1.690 -0.000 0.000) 1.690======================= Grid point 430 (108/126) =======================q-point: (-0.36 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 9.172 -32.355 -0.000) 33.630 2.871 ( 19.579 -4.524 -0.000) 20.094 3.652 ( -8.691 3.310 0.000) 9.300 3.762 ( -20.817 3.505 0.000) 21.110 4.395 ( 10.208 4.637 -0.000) 11.212 4.535 ( 6.977 -1.157 -0.000) 7.072 5.284 ( 6.942 9.380 0.000) 11.670 5.554 ( -1.001 14.486 0.000) 14.521 5.913 ( 15.687 -2.363 -0.000) 15.864 6.036 ( 20.716 -7.238 -0.000) 21.945 6.825 ( 1.649 -8.315 -0.000) 8.477 7.604 ( -12.954 4.718 0.000) 13.786 8.037 ( 0.659 -2.598 -0.000) 2.680 8.337 ( -3.175 3.569 0.000) 4.777 8.618 ( 3.584 -1.803 -0.000) 4.012 8.699 ( 0.364 -4.554 -0.000) 4.569 8.951 ( 2.227 -0.346 -0.000) 2.254 9.331 ( -10.250 3.233 0.000) 10.748 10.855 ( 4.540 -1.220 -0.000) 4.701 11.087 ( -2.503 1.406 0.000) 2.871 13.811 ( 3.585 -0.502 -0.000) 3.620 13.999 ( -0.808 2.681 0.000) 2.801 14.598 ( 10.738 -1.192 -0.000) 10.804 15.063 ( -0.013 5.245 0.000) 5.245 15.262 ( -1.247 -1.281 -0.000) 1.788 15.422 ( -4.147 -0.401 0.000) 4.166 16.155 ( 3.957 0.211 -0.000) 3.963 16.510 ( 0.254 13.069 0.000) 13.071 16.978 ( 0.308 -15.342 -0.000) 15.345 17.513 ( -11.201 -0.108 0.000) 11.201 20.254 ( 10.327 -3.986 -0.000) 11.069 20.890 ( -11.667 2.831 0.000) 12.006 22.182 ( 0.396 0.002 -0.000) 0.396 22.277 ( -4.482 -0.016 0.000) 4.482 24.631 ( 1.629 -1.074 -0.000) 1.951 24.783 ( -2.253 1.193 0.000) 2.549======================= Grid point 431 (109/126) =======================q-point: (-0.27 0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 9.769 -0.000 3.952) 10.538 2.953 ( 19.631 -0.000 13.924) 24.067 3.650 ( -17.205 0.000 -2.516) 17.388 3.832 ( -11.177 0.000 5.084) 12.279 4.352 ( 11.864 -0.000 -9.898) 15.450 4.557 ( 3.240 -0.000 5.325) 6.233 5.445 ( 9.581 -0.000 10.284) 14.056 5.726 ( -15.057 0.000 2.822) 15.319 5.874 ( 26.697 -0.000 3.566) 26.935 6.008 ( 25.279 -0.000 3.678) 25.545 6.789 ( -0.064 0.000 2.714) 2.714 7.640 ( -13.865 0.000 -0.041) 13.865 7.944 ( 3.351 -0.000 -9.379) 9.960 8.301 ( -2.054 -0.000 -7.177) 7.465 8.619 ( -2.565 0.000 -1.380) 2.913 8.656 ( 1.098 -0.000 -0.474) 1.196 8.879 ( -3.253 0.000 -3.676) 4.909 9.499 ( -3.171 0.000 15.037) 15.368 10.830 ( 4.704 -0.000 -2.063) 5.137 11.077 ( -2.335 0.000 -2.482) 3.407 13.770 ( 3.530 -0.000 -4.724) 5.897 13.977 ( -0.901 -0.000 -5.153) 5.231 14.536 ( 10.860 -0.000 -6.942) 12.889 15.123 ( 1.420 0.000 2.896) 3.226 15.232 ( -2.739 0.000 -3.079) 4.121 15.407 ( -3.800 0.000 -1.009) 3.932 16.168 ( 3.323 -0.000 1.393) 3.603 16.630 ( -0.322 -0.000 -2.130) 2.154 16.831 ( 1.165 -0.000 0.708) 1.364 17.565 ( -12.222 0.000 6.528) 13.856 20.175 ( 10.900 -0.000 -6.344) 12.612 20.881 ( -11.191 0.000 -3.686) 11.782 22.218 ( 0.224 0.000 4.529) 4.534 22.318 ( -4.386 0.000 5.223) 6.820 24.627 ( 1.176 -0.000 0.482) 1.271 24.792 ( -1.963 0.000 0.086) 1.965======================= Grid point 441 (110/126) =======================q-point: (-0.45 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 5.091 -42.196 -0.000) 42.502 3.134 ( -2.083 -4.371 -0.000) 4.843 3.349 ( -20.140 0.087 0.000) 20.140 3.483 ( -8.401 8.204 0.000) 11.742 4.465 ( 11.223 4.745 -0.000) 12.185 4.561 ( 3.096 8.198 0.000) 8.764 5.267 ( 9.973 6.365 -0.000) 11.831 5.373 ( 1.119 11.509 0.000) 11.564 6.169 ( 18.902 3.725 -0.000) 19.265 6.260 ( 12.078 8.391 -0.000) 14.707 7.042 ( 4.987 -15.889 -0.000) 16.653 7.338 ( -16.256 4.978 0.000) 17.001 8.091 ( 1.531 -4.609 -0.000) 4.857 8.210 ( -6.040 4.503 0.000) 7.534 8.703 ( 0.569 -4.903 -0.000) 4.936 8.739 ( -2.901 -3.274 -0.000) 4.374 9.015 ( 5.437 -2.048 -0.000) 5.810 9.153 ( -6.142 6.067 0.000) 8.633 10.939 ( 4.211 -2.189 -0.000) 4.745 11.022 ( -2.551 3.047 0.000) 3.974 13.874 ( 4.254 -0.727 -0.000) 4.315 13.941 ( -0.755 4.009 0.000) 4.079 14.770 ( 11.454 -1.592 -0.000) 11.564 14.941 ( -1.507 10.056 0.000) 10.169 15.298 ( 0.449 -3.961 -0.000) 3.986 15.364 ( -4.510 0.299 0.000) 4.519 16.229 ( 7.343 0.162 -0.000) 7.344 16.350 ( 0.155 10.673 0.000) 10.674 17.181 ( -0.557 -14.497 -0.000) 14.508 17.357 ( -12.670 -0.597 0.000) 12.684 20.459 ( 7.995 -7.864 -0.000) 11.215 20.679 ( -10.655 5.549 0.000) 12.013 22.195 ( 0.592 -1.045 -0.000) 1.201 22.227 ( -2.610 0.407 0.000) 2.642 24.676 ( 1.888 -1.918 -0.000) 2.691 24.731 ( -2.338 1.791 0.000) 2.945======================= Grid point 442 (111/126) =======================q-point: (-0.36 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.148 ( 6.396 -28.929 1.497) 29.665 3.176 ( -3.374 -2.314 10.260) 11.046 3.313 ( -16.640 0.322 -1.829) 16.743 3.682 ( -6.860 4.631 11.241) 13.959 4.465 ( 7.187 3.982 -7.144) 10.887 4.612 ( 4.398 -0.910 -2.336) 5.062 5.440 ( 6.311 13.460 8.637) 17.193 5.602 ( 3.274 3.742 11.549) 12.573 6.217 ( 22.503 1.955 1.208) 22.620 6.333 ( 18.944 2.409 0.147) 19.097 6.865 ( 1.754 -10.551 1.654) 10.823 7.401 ( -16.740 3.027 1.149) 17.051 7.998 ( 0.620 -4.225 -5.083) 6.638 8.235 ( -5.991 2.387 -3.983) 7.580 8.580 ( -0.565 -0.848 -11.471) 11.516 8.681 ( -2.048 -1.842 -3.112) 4.156 8.834 ( -4.151 -1.509 -5.151) 6.786 9.476 ( 1.716 2.305 21.383) 21.576 10.900 ( 4.429 -1.014 -2.049) 4.985 11.036 ( -2.101 1.668 -2.397) 3.598 13.827 ( 4.276 -0.364 -4.863) 6.486 13.947 ( -0.789 2.447 -5.030) 5.649 14.700 ( 11.975 -0.799 -6.645) 13.718 15.065 ( -0.626 8.321 -0.028) 8.345 15.237 ( -0.433 -3.354 -1.201) 3.589 15.361 ( -4.040 -0.924 -0.142) 4.146 16.234 ( 6.576 0.060 0.485) 6.594 16.501 ( -0.006 12.293 -1.204) 12.352 16.983 ( -0.326 -15.193 0.789) 15.217 17.390 ( -13.747 -0.457 5.081) 14.663 20.329 ( 7.987 -3.628 -5.930) 10.589 20.715 ( -9.827 2.895 -2.697) 10.594 22.223 ( 0.281 -0.386 4.644) 4.669 22.271 ( -2.716 -0.038 5.213) 5.878 24.649 ( 0.910 -1.000 -0.590) 1.475 24.760 ( -1.673 0.877 1.080) 2.176======================= Grid point 443 (112/126) =======================q-point: (-0.27 0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.002 ( 5.734 -0.000 5.531) 7.967 3.217 ( -31.996 0.000 -3.113) 32.147 3.454 ( 12.952 -0.000 18.414) 22.512 3.897 ( -0.727 0.000 10.476) 10.501 4.293 ( 8.319 -0.000 -14.857) 17.028 4.627 ( -5.603 0.000 6.203) 8.358 5.762 ( 3.365 0.000 11.617) 12.094 5.791 ( 11.928 -0.000 14.002) 18.394 6.267 ( 21.884 -0.000 4.101) 22.265 6.358 ( 18.234 -0.000 2.313) 18.381 6.822 ( -0.704 0.000 1.681) 1.822 7.448 ( -15.117 0.000 1.826) 15.227 7.798 ( 4.170 -0.000 -17.269) 17.765 8.133 ( -2.711 -0.000 -9.869) 10.235 8.403 ( -11.977 0.000 -8.275) 14.558 8.640 ( -1.024 -0.000 -2.057) 2.298 8.813 ( -7.168 0.000 2.606) 7.627 9.807 ( 5.872 0.000 19.349) 20.220 10.850 ( 4.482 -0.000 -3.603) 5.751 10.996 ( -1.879 -0.000 -4.123) 4.531 13.725 ( 4.294 -0.000 -7.907) 8.998 13.861 ( -0.750 -0.000 -7.998) 8.033 14.556 ( 13.699 -0.000 -11.221) 17.708 15.124 ( -2.166 -0.000 -6.559) 6.907 15.194 ( 0.773 0.000 4.145) 4.216 15.353 ( -4.172 0.000 1.314) 4.374 16.245 ( 5.297 -0.000 0.912) 5.375 16.591 ( -0.122 -0.000 -2.225) 2.228 16.853 ( 0.451 -0.000 0.692) 0.826 17.487 ( -16.276 0.000 7.466) 17.907 20.195 ( 8.708 -0.000 -8.250) 11.995 20.682 ( -7.760 0.000 -3.995) 8.728 22.314 ( 0.193 0.000 7.297) 7.299 22.374 ( -2.878 0.000 7.918) 8.424 24.634 ( -0.524 0.000 -0.493) 0.720 24.784 ( -0.552 0.000 1.306) 1.418======================= Grid point 452 (113/126) =======================q-point: ( 0.55 -0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.669 ( -16.653 -16.653 -2.197) 23.653 2.731 ( -19.297 -19.297 -0.324) 27.293 3.416 ( 1.498 1.498 9.779) 10.006 3.548 ( 1.770 1.770 14.199) 14.418 4.478 ( 5.859 5.859 -7.270) 11.024 4.654 ( 2.439 2.439 -3.533) 4.937 5.391 ( 11.769 11.769 6.909) 18.021 5.599 ( 6.902 6.902 14.467) 17.453 6.393 ( 11.528 11.528 -0.827) 16.324 6.413 ( 11.557 11.557 0.467) 16.350 7.058 ( -6.709 -6.709 -2.396) 9.786 7.167 ( -6.832 -6.832 5.175) 10.960 8.094 ( -0.929 -0.929 -3.259) 3.514 8.101 ( -4.703 -4.703 -1.282) 6.773 8.605 ( -1.927 -1.927 -19.987) 20.172 8.662 ( -0.692 -0.692 -2.642) 2.818 8.817 ( -3.554 -3.554 -3.865) 6.341 9.474 ( 3.305 3.305 23.867) 24.320 10.968 ( 0.985 0.985 -2.609) 2.957 10.980 ( 0.652 0.652 -1.851) 2.067 13.884 ( 1.874 1.874 -5.335) 5.957 13.901 ( 1.440 1.440 -4.549) 4.984 14.834 ( 5.250 5.250 -7.436) 10.508 14.956 ( 4.921 4.921 -0.239) 6.963 15.268 ( -1.397 -1.397 -2.013) 2.821 15.331 ( -2.820 -2.820 1.693) 4.333 16.339 ( 5.290 5.290 -0.851) 7.529 16.354 ( 4.661 4.661 0.064) 6.593 17.153 ( -7.865 -7.865 0.294) 11.127 17.235 ( -8.093 -8.093 5.245) 12.590 20.452 ( -0.669 -0.669 -8.342) 8.395 20.583 ( -1.018 -1.018 0.144) 1.446 22.234 ( -0.413 -0.413 4.635) 4.672 22.247 ( -0.772 -0.772 5.279) 5.391 24.667 ( -0.647 -0.647 -1.923) 2.130 24.737 ( 0.184 0.184 2.385) 2.399======================= Grid point 454 (114/126) =======================q-point: (-0.36 0.55 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 666Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.249 ( 3.564 -25.201 2.825) 25.608 2.722 ( -36.300 1.640 -0.625) 36.342 3.625 ( 7.897 -1.738 18.176) 19.893 3.844 ( 2.059 7.266 12.694) 14.771 4.420 ( 4.765 -3.641 -8.540) 10.435 4.540 ( -4.825 1.633 -4.588) 6.855 5.771 ( 12.291 11.701 16.600) 23.739 5.910 ( 8.627 4.873 14.450) 17.521 6.490 ( 14.728 6.116 -0.461) 15.954 6.540 ( 12.784 5.636 -0.140) 13.972 6.896 ( 0.030 -9.937 -0.160) 9.939 7.228 ( -14.018 0.518 5.130) 14.936 7.897 ( 3.264 -6.728 -14.611) 16.413 8.059 ( -8.729 0.892 -7.039) 11.249 8.268 ( -5.307 -0.324 -13.069) 14.109 8.619 ( -1.237 0.288 -3.187) 3.431 8.751 ( -6.714 -4.737 0.621) 8.240 9.867 ( 5.231 2.805 21.357) 22.166 10.909 ( 3.420 -0.661 -3.797) 5.153 10.962 ( -1.378 1.697 -4.007) 4.565 13.784 ( 3.925 -0.195 -7.861) 8.788 13.836 ( -0.557 2.279 -7.917) 8.257 14.742 ( 13.013 1.111 -9.189) 15.969 15.014 ( -0.526 9.074 -5.642) 10.698 15.236 ( -0.002 -2.487 1.591) 2.952 15.315 ( -4.711 -3.095 1.707) 5.890 16.340 ( 8.750 0.026 -0.248) 8.753 16.480 ( -0.062 11.097 -1.295) 11.173 16.992 ( -1.087 -15.102 1.333) 15.200 17.264 ( -16.729 -1.376 4.950) 17.500 20.295 ( 3.794 -1.243 -8.803) 9.666 20.586 ( -3.341 1.741 -1.315) 3.990 22.321 ( 0.103 -0.665 7.429) 7.460 22.344 ( -1.784 -0.187 7.721) 7.927 24.629 ( -0.956 -0.785 -1.469) 1.921 24.778 ( 0.107 0.384 2.113) 2.150======================= Grid point 455 (115/126) =======================q-point: (-0.27 -0.45 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.144 ( 2.603 0.000 5.530) 6.113 2.728 ( -32.702 0.000 -0.091) 32.702 3.847 ( 11.700 -0.000 6.345) 13.310 4.080 ( 2.515 0.000 11.597) 11.867 4.137 ( 4.860 -0.000 -17.118) 17.794 4.654 ( -11.409 0.000 14.694) 18.603 6.062 ( 12.871 -0.000 8.522) 15.437 6.134 ( 11.529 -0.000 7.711) 13.870 6.568 ( 7.030 -0.000 2.726) 7.540 6.594 ( 15.860 -0.000 5.508) 16.790 6.823 ( 0.668 -0.000 0.538) 0.858 7.316 ( -11.995 0.000 5.430) 13.167 7.467 ( -0.588 -0.000 -29.589) 29.595 7.974 ( -4.685 0.000 -2.648) 5.382 8.188 ( -5.326 0.000 -2.751) 5.994 8.561 ( -2.881 0.000 -4.675) 5.491 8.718 ( -10.697 0.000 0.387) 10.704 10.185 ( 7.305 0.000 17.273) 18.754 10.838 ( 3.214 -0.000 -5.032) 5.971 10.906 ( -1.510 -0.000 -4.574) 4.816 13.657 ( 4.105 -0.000 -8.007) 8.998 13.728 ( -0.486 -0.000 -7.904) 7.919 14.597 ( 17.545 -0.000 -10.486) 20.439 14.983 ( -1.344 -0.000 -8.290) 8.399 15.263 ( -0.612 0.000 4.513) 4.555 15.331 ( -5.742 0.000 4.463) 7.273 16.339 ( 7.593 -0.000 -0.008) 7.593 16.565 ( 0.007 -0.000 -1.000) 1.000 16.861 ( 0.181 -0.000 -0.402) 0.441 17.325 ( -20.575 0.000 3.762) 20.916 20.158 ( 4.827 -0.000 -8.401) 9.689 20.588 ( -1.319 0.000 0.116) 1.324 22.433 ( 0.134 0.000 7.519) 7.520 22.465 ( -2.083 0.000 7.853) 8.125 24.606 ( -1.579 0.000 -0.804) 1.772 24.809 ( 0.416 0.000 1.609) 1.662======================= Grid point 465 (116/126) =======================q-point: (-0.36 -0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.323 ( -9.937 -9.937 3.359) 14.448 2.336 ( -10.957 -10.957 3.295) 15.842 3.977 ( 2.711 2.711 16.410) 16.852 3.998 ( 10.186 10.186 -7.475) 16.230 4.261 ( -3.312 -3.312 -12.360) 13.218 4.537 ( -6.241 -6.241 17.248) 19.375 6.172 ( 9.356 9.356 11.548) 17.562 6.195 ( 7.311 7.311 6.470) 12.197 6.595 ( 4.172 4.172 -0.475) 5.919 6.712 ( 9.089 9.089 4.133) 13.502 6.872 ( -1.374 -1.374 0.279) 1.963 7.197 ( -5.581 -5.581 7.309) 10.757 7.484 ( -4.751 -4.751 -32.281) 32.972 7.919 ( -5.376 -5.376 1.416) 7.734 8.164 ( 2.220 2.220 -1.905) 3.671 8.534 ( -1.118 -1.118 -5.748) 5.962 8.643 ( -7.611 -7.611 -1.714) 10.899 10.237 ( 3.991 3.991 18.257) 19.110 10.876 ( 0.530 0.530 -4.682) 4.742 10.879 ( 0.307 0.307 -5.345) 5.363 13.703 ( 1.238 1.238 -7.740) 7.935 13.707 ( 0.964 0.964 -8.009) 8.124 14.775 ( 9.464 9.464 -8.217) 15.705 14.913 ( 3.604 3.604 -8.367) 9.798 15.270 ( -0.639 -0.639 2.917) 3.053 15.285 ( -6.216 -6.216 4.905) 10.066 16.460 ( 5.469 5.469 -0.805) 7.776 16.467 ( 4.829 4.829 -0.649) 6.859 16.964 ( -8.266 -8.266 0.948) 11.728 17.109 ( -9.782 -9.782 1.123) 13.879 20.192 ( 1.363 1.363 -8.196) 8.420 20.577 ( 0.715 0.715 1.463) 1.778 22.439 ( -0.310 -0.310 7.574) 7.586 22.446 ( -0.783 -0.783 7.680) 7.759 24.595 ( -0.935 -0.935 -1.036) 1.680 24.812 ( 0.298 0.298 1.732) 1.782======================= Grid point 466 (117/126) =======================q-point: (-0.27 -0.36 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.238 ( 0.719 0.000 3.580) 3.652 2.382 ( -19.341 0.000 1.932) 19.437 3.876 ( 5.913 -0.000 -15.255) 16.361 3.910 ( 1.816 -0.000 -18.163) 18.254 4.340 ( 0.600 0.000 17.529) 17.539 4.760 ( -7.215 0.000 12.431) 14.373 6.252 ( 9.644 -0.000 -4.617) 10.692 6.280 ( 6.432 -0.000 -4.838) 8.048 6.620 ( -1.902 0.000 1.453) 2.393 6.729 ( 7.908 -0.000 -28.678) 29.749 6.979 ( 8.271 -0.000 12.068) 14.631 7.095 ( -3.390 0.000 5.923) 6.825 7.271 ( -9.320 0.000 6.732) 11.497 7.927 ( -4.590 0.000 4.438) 6.385 8.173 ( 7.432 -0.000 -1.871) 7.664 8.427 ( -3.152 -0.000 -7.047) 7.720 8.535 ( -13.400 0.000 -2.485) 13.628 10.514 ( 6.372 0.000 13.396) 14.834 10.782 ( 1.493 -0.000 -6.456) 6.626 10.812 ( -2.439 -0.000 -4.443) 5.069 13.599 ( 2.603 -0.000 -5.439) 6.030 13.619 ( -0.199 -0.000 -5.416) 5.420 14.712 ( 17.330 -0.000 -6.413) 18.479 14.856 ( -0.507 -0.000 -5.979) 6.000 15.308 ( -1.021 0.000 2.725) 2.910 15.338 ( -7.751 0.000 8.840) 11.756 16.455 ( 10.131 -0.000 -0.507) 10.144 16.558 ( 0.038 -0.000 -0.039) 0.054 16.844 ( -0.439 -0.000 -1.460) 1.525 17.060 ( -19.897 0.000 -0.910) 19.918 20.090 ( 2.699 -0.000 -6.820) 7.335 20.629 ( 1.218 0.000 4.310) 4.479 22.536 ( 0.061 0.000 5.431) 5.431 22.546 ( -1.415 0.000 5.602) 5.778 24.578 ( -1.097 0.000 -0.320) 1.143 24.836 ( 0.333 0.000 1.149) 1.196======================= Grid point 477 (118/126) =======================q-point: (-0.27 -0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.258 ( 0.000 -0.000 -2.295) 2.295 2.258 ( 0.000 -0.000 -2.295) 2.295 3.656 ( 0.000 -0.000 -15.462) 15.462 3.656 ( 0.000 -0.000 -15.462) 15.462 4.573 ( -0.000 0.000 11.289) 11.289 4.737 ( 0.000 -0.000 -10.492) 10.492 6.145 ( 0.000 -0.000 -42.313) 42.313 6.197 ( 0.000 -0.000 -11.031) 11.031 6.197 ( 0.000 -0.000 -11.031) 11.031 6.684 ( -0.000 0.000 10.821) 10.821 7.202 ( 0.000 -0.000 -0.310) 0.310 7.346 ( -0.000 0.000 17.821) 17.821 7.346 ( -0.000 0.000 17.821) 17.821 7.990 ( -0.000 0.000 7.931) 7.931 8.292 ( 0.000 -0.000 -6.153) 6.153 8.292 ( 0.000 -0.000 -6.153) 6.153 8.311 ( -0.000 0.000 2.396) 2.396 10.682 ( 0.000 -0.000 -7.879) 7.879 10.682 ( 0.000 -0.000 -7.879) 7.879 10.776 ( -0.000 0.000 12.357) 12.357 13.564 ( 0.000 -0.000 -1.445) 1.445 13.564 ( 0.000 -0.000 -1.445) 1.445 14.803 ( 0.000 -0.000 -0.067) 0.067 14.803 ( 0.000 -0.000 -0.067) 0.067 15.321 ( 0.000 -0.000 -0.166) 0.166 15.414 ( -0.000 0.000 9.187) 9.187 16.561 ( -0.000 0.000 0.190) 0.190 16.561 ( -0.000 0.000 0.190) 0.190 16.806 ( 0.000 -0.000 -0.782) 0.782 16.861 ( 0.000 -0.000 -2.362) 2.362 20.015 ( 0.000 -0.000 -6.137) 6.137 20.729 ( -0.000 0.000 7.322) 7.322 22.593 ( -0.000 0.000 1.847) 1.847 22.593 ( -0.000 0.000 1.847) 1.847 24.569 ( -0.000 0.000 0.240) 0.240 24.852 ( -0.000 0.000 0.684) 0.684======================= Grid point 558 (119/126) =======================q-point: (-0.36 0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.913 ( 7.414 0.000 -0.000) 7.414 3.057 ( 8.749 0.000 -0.000) 8.749 3.365 ( -30.291 -0.000 0.000) 30.291 3.599 ( -7.944 -0.000 0.000) 7.944 4.591 ( 9.930 0.000 -0.000) 9.930 4.613 ( 7.501 0.000 -0.000) 7.501 5.472 ( 9.103 0.000 -0.000) 9.103 5.516 ( -5.642 -0.000 0.000) 5.642 6.223 ( 26.491 0.000 -0.000) 26.491 6.347 ( 22.900 0.000 -0.000) 22.900 6.770 ( 0.436 0.000 -0.000) 0.436 7.414 ( -18.247 -0.000 0.000) 18.247 8.009 ( -2.019 -0.000 0.000) 2.019 8.285 ( -8.451 -0.000 0.000) 8.451 8.640 ( 1.591 0.000 -0.000) 1.591 8.673 ( 0.314 0.000 -0.000) 0.314 8.992 ( 4.300 0.000 -0.000) 4.300 9.241 ( -6.281 -0.000 0.000) 6.281 10.908 ( 4.480 0.000 -0.000) 4.480 11.066 ( -2.008 -0.000 0.000) 2.008 13.863 ( 4.367 0.000 -0.000) 4.367 14.005 ( -0.872 -0.000 0.000) 0.872 14.747 ( 11.938 0.000 -0.000) 11.938 15.116 ( 1.114 0.000 -0.000) 1.114 15.219 ( -2.323 -0.000 0.000) 2.323 15.364 ( -4.203 -0.000 0.000) 4.203 16.230 ( 7.065 0.000 -0.000) 7.065 16.643 ( -0.281 -0.000 0.000) 0.281 16.830 ( -0.159 -0.000 0.000) 0.159 17.346 ( -13.046 -0.000 0.000) 13.046 20.348 ( 7.641 0.000 -0.000) 7.641 20.755 ( -10.802 -0.000 0.000) 10.802 22.185 ( 0.213 0.000 -0.000) 0.213 22.230 ( -2.541 -0.000 0.000) 2.541 24.647 ( 1.785 0.000 -0.000) 1.785 24.758 ( -2.539 -0.000 0.000) 2.539======================= Grid point 570 (120/126) =======================q-point: (-0.45 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.211 ( 4.231 -29.572 -0.000) 29.873 2.745 ( -39.767 1.586 0.000) 39.798 3.315 ( 8.436 -3.389 -0.000) 9.091 3.474 ( -6.049 4.634 0.000) 7.620 4.666 ( 8.130 3.774 -0.000) 8.963 4.697 ( 4.502 3.278 -0.000) 5.569 5.487 ( 8.923 5.555 -0.000) 10.511 5.539 ( 6.181 7.607 0.000) 9.802 6.510 ( 19.523 6.243 -0.000) 20.496 6.555 ( 13.062 6.758 -0.000) 14.707 6.881 ( 2.169 -13.400 -0.000) 13.575 7.141 ( -18.618 2.324 0.000) 18.763 8.015 ( -1.628 -5.964 -0.000) 6.182 8.134 ( -10.745 1.148 0.000) 10.806 8.665 ( 0.247 -1.566 -0.000) 1.585 8.680 ( -1.299 -1.157 -0.000) 1.739 9.066 ( 5.120 -1.186 -0.000) 5.255 9.155 ( -3.244 3.282 0.000) 4.615 10.972 ( 3.687 -0.981 -0.000) 3.815 11.029 ( -1.586 1.973 0.000) 2.531 13.924 ( 4.034 -0.387 -0.000) 4.053 13.977 ( -0.671 2.493 0.000) 2.582 14.911 ( 11.097 -0.643 -0.000) 11.116 15.054 ( -0.488 8.286 0.000) 8.300 15.242 ( -0.336 -4.575 -0.000) 4.588 15.304 ( -4.587 0.016 0.000) 4.587 16.349 ( 10.324 -0.088 -0.000) 10.325 16.510 ( -0.200 12.600 0.000) 12.602 16.969 ( -0.775 -14.832 -0.000) 14.852 17.162 ( -14.591 -0.543 0.000) 14.601 20.464 ( 5.181 -4.364 -0.000) 6.775 20.605 ( -8.260 2.697 0.000) 8.690 22.190 ( 0.222 -0.420 -0.000) 0.475 22.204 ( -1.267 0.110 0.000) 1.272 24.678 ( 1.577 -1.169 -0.000) 1.963 24.719 ( -2.114 0.967 0.000) 2.325======================= Grid point 571 (121/126) =======================q-point: (-0.36 0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.013 ( 4.416 -0.000 2.366) 5.010 2.747 ( -38.879 0.000 -0.979) 38.891 3.374 ( 8.775 -0.000 11.066) 14.123 3.635 ( -4.416 0.000 15.219) 15.847 4.604 ( 6.291 -0.000 -11.526) 13.131 4.644 ( 3.119 -0.000 -7.063) 7.721 5.635 ( 7.990 -0.000 12.452) 14.795 5.708 ( 8.959 -0.000 13.055) 15.834 6.554 ( 21.699 -0.000 -0.612) 21.708 6.587 ( 13.233 -0.000 -1.178) 13.285 6.793 ( 0.681 0.000 1.594) 1.733 7.179 ( -17.890 0.000 2.591) 18.077 7.948 ( -2.559 0.000 -3.048) 3.980 8.139 ( -10.058 0.000 -0.907) 10.099 8.568 ( 1.121 -0.000 -17.616) 17.651 8.659 ( -0.693 -0.000 -1.561) 1.707 8.763 ( -4.561 -0.000 -10.837) 11.758 9.528 ( 3.148 0.000 25.016) 25.213 10.949 ( 3.676 -0.000 -2.037) 4.203 11.024 ( -1.425 0.000 -2.358) 2.755 13.883 ( 3.988 -0.000 -4.891) 6.310 13.954 ( -0.662 -0.000 -5.046) 5.089 14.860 ( 11.795 -0.000 -5.572) 13.045 15.152 ( 0.739 0.000 2.632) 2.734 15.170 ( -1.651 -0.000 -2.965) 3.393 15.297 ( -4.462 0.000 -0.752) 4.525 16.345 ( 9.814 -0.000 -0.355) 9.820 16.623 ( -0.145 -0.000 -1.970) 1.975 16.833 ( -0.752 0.000 1.206) 1.421 17.188 ( -15.350 0.000 3.645) 15.777 20.391 ( 4.707 -0.000 -5.351) 7.127 20.617 ( -6.951 0.000 -0.864) 7.005 22.223 ( 0.162 0.000 4.512) 4.515 22.243 ( -1.441 0.000 4.879) 5.087 24.650 ( 0.189 -0.000 -1.873) 1.882 24.747 ( -0.872 0.000 2.154) 2.324======================= Grid point 581 (122/126) =======================q-point: ( 0.55 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.253 ( -12.420 -12.420 0.703) 17.579 2.267 ( -13.463 -13.463 1.220) 19.079 3.452 ( 0.989 0.989 9.862) 9.961 3.589 ( 1.116 1.116 17.795) 17.865 4.627 ( 4.342 4.342 -11.150) 12.729 4.686 ( 0.333 0.333 -9.752) 9.764 5.698 ( 9.766 9.766 12.033) 18.318 5.766 ( 5.228 5.228 14.369) 16.160 6.665 ( 6.085 6.085 -2.461) 8.950 6.714 ( 9.307 9.307 -0.012) 13.162 6.892 ( -3.389 -3.389 -1.250) 4.952 6.974 ( -6.407 -6.407 5.384) 10.540 7.948 ( -5.727 -5.727 -2.736) 8.549 8.033 ( -3.156 -3.156 1.200) 4.622 8.591 ( 1.019 1.019 -19.801) 19.854 8.649 ( -0.306 -0.306 -1.871) 1.921 8.727 ( -3.125 -3.125 -12.072) 12.855 9.551 ( 2.174 2.174 26.292) 26.471 10.993 ( 0.762 0.762 -2.339) 2.575 10.997 ( 0.500 0.500 -2.112) 2.227 13.928 ( 1.213 1.213 -5.097) 5.378 13.933 ( 0.860 0.860 -4.861) 5.011 14.980 ( 5.308 5.308 -5.216) 9.140 15.076 ( 3.812 3.812 -0.320) 5.400 15.228 ( -1.640 -1.640 -0.496) 2.371 15.242 ( -3.750 -3.750 -0.120) 5.305 16.498 ( 5.787 5.787 -1.005) 8.246 16.498 ( 6.214 6.214 -1.136) 8.861 16.938 ( -7.699 -7.699 -0.290) 10.892 17.010 ( -8.019 -8.019 4.043) 12.040 20.436 ( -0.444 -0.444 -6.674) 6.703 20.555 ( -0.853 -0.853 1.286) 1.763 22.227 ( -0.115 -0.115 4.518) 4.521 22.231 ( -0.398 -0.398 4.722) 4.756 24.652 ( -0.423 -0.423 -2.627) 2.694 24.740 ( 0.076 0.076 2.835) 2.837======================= Grid point 583 (123/126) =======================q-point: (-0.36 -0.45 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 366Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.102 ( 1.771 0.000 3.828) 4.218 2.297 ( -25.215 0.000 2.214) 25.312 3.687 ( 2.489 0.000 19.220) 19.380 3.936 ( 3.584 0.000 23.169) 23.444 4.449 ( 2.933 -0.000 -16.154) 16.418 4.494 ( -3.391 -0.000 -11.421) 11.913 6.012 ( 10.272 -0.000 16.891) 19.769 6.051 ( 5.944 0.000 16.725) 17.750 6.660 ( 2.503 -0.000 -2.523) 3.554 6.771 ( 12.597 -0.000 -1.686) 12.710 6.832 ( 2.534 -0.000 0.048) 2.535 7.046 ( -11.474 0.000 7.212) 13.553 7.855 ( -1.708 -0.000 -5.266) 5.536 7.950 ( -6.477 -0.000 -16.407) 17.640 8.232 ( -0.310 -0.000 -12.594) 12.598 8.606 ( -0.950 -0.000 -3.904) 4.018 8.634 ( -4.730 0.000 -2.930) 5.564 9.946 ( 3.136 0.000 22.873) 23.087 10.942 ( 1.908 -0.000 -3.960) 4.395 10.960 ( -0.712 -0.000 -4.066) 4.128 13.826 ( 2.393 -0.000 -7.821) 8.179 13.845 ( -0.331 -0.000 -7.842) 7.849 14.931 ( 12.512 -0.000 -5.825) 13.802 15.082 ( -0.820 -0.000 -6.305) 6.359 15.180 ( -4.249 0.000 1.379) 4.467 15.235 ( -2.584 0.000 1.251) 2.871 16.478 ( 11.160 -0.000 -1.204) 11.224 16.589 ( -0.028 -0.000 -2.081) 2.081 16.840 ( -1.866 0.000 1.395) 2.330 17.030 ( -14.744 0.000 3.133) 15.073 20.320 ( 1.017 -0.000 -7.766) 7.832 20.566 ( -0.960 0.000 0.640) 1.154 22.318 ( 0.084 0.000 7.273) 7.273 22.325 ( -0.875 0.000 7.400) 7.451 24.612 ( -0.675 -0.000 -2.011) 2.121 24.782 ( 0.168 0.000 2.390) 2.395======================= Grid point 594 (124/126) =======================q-point: (-0.36 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.178 ( -0.000 0.000 4.554) 4.554 2.178 ( -0.000 0.000 4.554) 4.554 4.026 ( -0.000 0.000 21.983) 21.983 4.205 ( 0.000 -0.000 -18.126) 18.126 4.205 ( 0.000 -0.000 -18.126) 18.126 4.387 ( -0.000 0.000 26.278) 26.278 6.308 ( -0.000 0.000 8.628) 8.628 6.308 ( -0.000 0.000 8.628) 8.628 6.629 ( 0.000 -0.000 -2.858) 2.858 6.874 ( -0.000 0.000 5.964) 5.964 6.874 ( -0.000 0.000 5.964) 5.964 7.089 ( -0.000 0.000 7.610) 7.610 7.411 ( 0.000 -0.000 -39.034) 39.034 7.833 ( -0.000 0.000 2.112) 2.112 8.215 ( -0.000 0.000 3.138) 3.138 8.517 ( 0.000 -0.000 -6.549) 6.549 8.517 ( 0.000 -0.000 -6.549) 6.549 10.293 ( -0.000 0.000 19.414) 19.414 10.882 ( 0.000 -0.000 -5.350) 5.350 10.882 ( 0.000 -0.000 -5.350) 5.350 13.720 ( 0.000 -0.000 -7.787) 7.787 13.720 ( 0.000 -0.000 -7.787) 7.787 14.964 ( 0.000 -0.000 -8.016) 8.016 14.964 ( 0.000 -0.000 -8.016) 8.016 15.144 ( -0.000 0.000 6.083) 6.083 15.261 ( -0.000 0.000 2.692) 2.692 16.565 ( 0.000 -0.000 -0.943) 0.943 16.565 ( 0.000 -0.000 -0.943) 0.943 16.818 ( -0.000 0.000 0.651) 0.651 16.942 ( 0.000 -0.000 -0.398) 0.398 20.211 ( 0.000 -0.000 -7.240) 7.240 20.585 ( -0.000 0.000 2.305) 2.305 22.435 ( -0.000 0.000 7.498) 7.498 22.435 ( -0.000 0.000 7.498) 7.498 24.582 ( 0.000 -0.000 -1.211) 1.211 24.816 ( -0.000 0.000 1.776) 1.776======================= Grid point 699 (125/126) =======================q-point: (-0.45 0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 216Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.042 ( 2.260 0.000 -0.000) 2.260 2.267 ( -28.824 -0.000 0.000) 28.824 3.387 ( 4.904 0.000 -0.000) 4.904 3.442 ( -3.202 -0.000 0.000) 3.202 4.767 ( 3.089 0.000 -0.000) 3.089 4.769 ( 2.852 0.000 -0.000) 2.852 5.655 ( 9.792 0.000 -0.000) 9.792 5.696 ( 5.492 0.000 -0.000) 5.492 6.709 ( 3.739 0.000 -0.000) 3.739 6.779 ( -2.952 -0.000 0.000) 2.952 6.819 ( 14.679 0.000 -0.000) 14.679 6.958 ( -8.159 -0.000 0.000) 8.159 7.930 ( -2.414 -0.000 0.000) 2.414 7.987 ( -9.767 -0.000 0.000) 9.767 8.658 ( 0.062 0.000 -0.000) 0.062 8.662 ( -0.565 -0.000 0.000) 0.565 9.116 ( 3.170 0.000 -0.000) 3.170 9.147 ( -1.359 -0.000 0.000) 1.359 11.007 ( 2.189 0.000 -0.000) 2.189 11.027 ( -0.784 -0.000 0.000) 0.784 13.967 ( 2.485 0.000 -0.000) 2.485 13.987 ( -0.380 -0.000 0.000) 0.380 15.045 ( 9.098 0.000 -0.000) 9.098 15.138 ( 0.457 0.000 -0.000) 0.457 15.175 ( -0.871 -0.000 0.000) 0.871 15.238 ( -5.264 -0.000 0.000) 5.264 16.506 ( 12.523 0.000 -0.000) 12.523 16.638 ( -0.086 -0.000 0.000) 0.086 16.811 ( -0.707 -0.000 0.000) 0.707 16.954 ( -14.881 -0.000 0.000) 14.881 20.486 ( 2.566 0.000 -0.000) 2.566 20.535 ( -4.511 -0.000 0.000) 4.511 22.190 ( 0.090 0.000 -0.000) 0.090 22.193 ( -0.482 -0.000 0.000) 0.482 24.687 ( 0.902 0.000 -0.000) 0.902 24.702 ( -1.230 -0.000 0.000) 1.230======================= Grid point 711 (126/126) =======================q-point: ( 0.55 -0.45 0.45)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.67e-09 3.67e-09 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.072 ( -0.000 0.000 1.904) 1.904 2.072 ( -0.000 0.000 1.904) 1.904 3.466 ( -0.000 0.000 10.042) 10.042 3.605 ( -0.000 0.000 18.876) 18.876 4.689 ( 0.000 -0.000 -11.670) 11.670 4.689 ( 0.000 -0.000 -11.670) 11.670 5.848 ( -0.000 0.000 13.430) 13.430 5.848 ( -0.000 0.000 13.430) 13.430 6.687 ( 0.000 -0.000 -1.632) 1.632 6.822 ( -0.000 0.000 7.748) 7.748 6.906 ( 0.000 -0.000 -2.434) 2.434 6.906 ( 0.000 -0.000 -2.434) 2.434 7.854 ( 0.000 -0.000 -3.099) 3.099 7.977 ( -0.000 0.000 3.364) 3.364 8.644 ( 0.000 -0.000 -1.862) 1.862 8.644 ( 0.000 -0.000 -1.862) 1.862 8.648 ( 0.000 -0.000 -32.785) 32.785 9.582 ( -0.000 0.000 27.175) 27.175 11.004 ( 0.000 -0.000 -2.266) 2.266 11.004 ( 0.000 -0.000 -2.266) 2.266 13.945 ( 0.000 -0.000 -5.003) 5.003 13.945 ( 0.000 -0.000 -5.003) 5.003 15.096 ( 0.000 -0.000 -2.207) 2.207 15.147 ( 0.000 -0.000 -2.928) 2.928 15.147 ( 0.000 -0.000 -2.928) 2.928 15.187 ( -0.000 0.000 2.631) 2.631 16.622 ( 0.000 -0.000 -1.912) 1.912 16.622 ( 0.000 -0.000 -1.912) 1.912 16.787 ( -0.000 0.000 0.065) 0.065 16.861 ( -0.000 0.000 4.234) 4.234 20.430 ( 0.000 -0.000 -6.026) 6.026 20.543 ( -0.000 0.000 1.627) 1.627 22.226 ( -0.000 0.000 4.506) 4.506 22.226 ( -0.000 0.000 4.506) 4.506 24.646 ( 0.000 -0.000 -2.889) 2.889 24.741 ( -0.000 0.000 3.008) 3.008=================== 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 3/47916 10.0 8039.390 8039.390 15360.026 0.000 -0.000 0.000 3/47916 20.0 2177.725 2177.725 2175.039 0.000 -0.000 0.000 3/47916 30.0 756.863 756.863 638.584 0.000 -0.000 0.000 3/47916 40.0 382.685 382.685 311.265 0.000 -0.000 0.000 3/47916 50.0 234.618 234.618 191.305 0.000 -0.000 0.000 3/47916 60.0 161.909 161.909 133.621 0.000 -0.000 0.000 3/47916 70.0 120.854 120.854 101.118 0.000 -0.000 0.000 3/47916 80.0 95.188 95.188 80.688 0.000 -0.000 0.000 3/47916 90.0 77.861 77.861 66.774 0.000 -0.000 0.000 3/47916 100.0 65.461 65.461 56.714 0.000 -0.000 0.000 3/47916 110.0 56.184 56.184 49.109 0.000 -0.000 0.000 3/47916 120.0 49.006 49.006 43.164 0.000 -0.000 0.000 3/47916 130.0 43.304 43.304 38.397 0.000 -0.000 0.000 3/47916 140.0 38.680 38.680 34.498 0.000 -0.000 0.000 3/47916 150.0 34.868 34.868 31.258 0.000 -0.000 0.000 3/47916 160.0 31.680 31.680 28.529 0.000 -0.000 0.000 3/47916 170.0 28.984 28.984 26.206 0.000 -0.000 0.000 3/47916 180.0 26.679 26.679 24.209 0.000 -0.000 0.000 3/47916 190.0 24.691 24.691 22.478 0.000 -0.000 0.000 3/47916 200.0 22.963 22.963 20.965 0.000 -0.000 0.000 3/47916 210.0 21.449 21.449 19.634 0.000 -0.000 0.000 3/47916 220.0 20.114 20.114 18.456 0.000 -0.000 0.000 3/47916 230.0 18.929 18.929 17.408 0.000 -0.000 0.000 3/47916 240.0 17.873 17.873 16.469 0.000 -0.000 0.000 3/47916 250.0 16.925 16.925 15.624 0.000 -0.000 0.000 3/47916 260.0 16.071 16.071 14.861 0.000 -0.000 0.000 3/47916 270.0 15.299 15.299 14.168 0.000 -0.000 0.000 3/47916 280.0 14.596 14.596 13.536 0.000 -0.000 0.000 3/47916 290.0 13.955 13.955 12.959 0.000 -0.000 0.000 3/47916 300.0 13.368 13.368 12.429 0.000 -0.000 0.000 3/47916 310.0 12.829 12.829 11.941 0.000 -0.000 0.000 3/47916 320.0 12.331 12.331 11.490 0.000 -0.000 0.000 3/47916 330.0 11.872 11.872 11.072 0.000 -0.000 0.000 3/47916 340.0 11.445 11.445 10.685 0.000 -0.000 0.000 3/47916 350.0 11.049 11.049 10.323 0.000 -0.000 0.000 3/47916 360.0 10.680 10.680 9.986 0.000 -0.000 0.000 3/47916 370.0 10.335 10.335 9.671 0.000 -0.000 0.000 3/47916 380.0 10.012 10.012 9.375 0.000 -0.000 0.000 3/47916 390.0 9.709 9.709 9.097 0.000 -0.000 0.000 3/47916 400.0 9.424 9.424 8.836 0.000 -0.000 0.000 3/47916 410.0 9.156 9.156 8.590 0.000 -0.000 0.000 3/47916 420.0 8.903 8.903 8.357 0.000 -0.000 0.000 3/47916 430.0 8.665 8.665 8.137 0.000 -0.000 0.000 3/47916 440.0 8.438 8.438 7.928 0.000 -0.000 0.000 3/47916 450.0 8.224 8.224 7.730 0.000 -0.000 0.000 3/47916 460.0 8.021 8.021 7.542 0.000 -0.000 0.000 3/47916 470.0 7.827 7.827 7.363 0.000 -0.000 0.000 3/47916 480.0 7.643 7.643 7.193 0.000 -0.000 0.000 3/47916 490.0 7.468 7.468 7.031 0.000 -0.000 0.000 3/47916 500.0 7.301 7.301 6.876 0.000 -0.000 0.000 3/47916 510.0 7.141 7.141 6.727 0.000 -0.000 0.000 3/47916 520.0 6.989 6.989 6.586 0.000 -0.000 0.000 3/47916 530.0 6.842 6.842 6.450 0.000 -0.000 0.000 3/47916 540.0 6.703 6.703 6.320 0.000 -0.000 0.000 3/47916 550.0 6.568 6.568 6.195 0.000 -0.000 0.000 3/47916 560.0 6.440 6.440 6.075 0.000 -0.000 0.000 3/47916 570.0 6.316 6.316 5.960 0.000 -0.000 0.000 3/47916 580.0 6.197 6.197 5.849 0.000 -0.000 0.000 3/47916 590.0 6.082 6.082 5.742 0.000 -0.000 0.000 3/47916 600.0 5.972 5.972 5.639 0.000 -0.000 0.000 3/47916 610.0 5.866 5.866 5.540 0.000 -0.000 0.000 3/47916 620.0 5.764 5.764 5.444 0.000 -0.000 0.000 3/47916 630.0 5.665 5.665 5.352 0.000 -0.000 0.000 3/47916 640.0 5.570 5.570 5.263 0.000 -0.000 0.000 3/47916 650.0 5.478 5.478 5.177 0.000 -0.000 0.000 3/47916 660.0 5.389 5.389 5.093 0.000 -0.000 0.000 3/47916 670.0 5.303 5.303 5.013 0.000 -0.000 0.000 3/47916 680.0 5.219 5.219 4.935 0.000 -0.000 0.000 3/47916 690.0 5.138 5.138 4.859 0.000 -0.000 0.000 3/47916 700.0 5.060 5.060 4.786 0.000 -0.000 0.000 3/47916 710.0 4.984 4.984 4.715 0.000 -0.000 0.000 3/47916 720.0 4.911 4.911 4.646 0.000 -0.000 0.000 3/47916 730.0 4.840 4.840 4.579 0.000 -0.000 0.000 3/47916 740.0 4.770 4.770 4.514 0.000 -0.000 0.000 3/47916 750.0 4.703 4.703 4.451 0.000 -0.000 0.000 3/47916 760.0 4.638 4.638 4.389 0.000 -0.000 0.000 3/47916 770.0 4.574 4.574 4.330 0.000 -0.000 0.000 3/47916 780.0 4.512 4.512 4.272 0.000 -0.000 0.000 3/47916 790.0 4.452 4.452 4.215 0.000 -0.000 0.000 3/47916 800.0 4.394 4.394 4.160 0.000 -0.000 0.000 3/47916 810.0 4.337 4.337 4.107 0.000 -0.000 0.000 3/47916 820.0 4.282 4.282 4.055 0.000 -0.000 0.000 3/47916 830.0 4.227 4.227 4.004 0.000 -0.000 0.000 3/47916 840.0 4.175 4.175 3.954 0.000 -0.000 0.000 3/47916 850.0 4.123 4.123 3.906 0.000 -0.000 0.000 3/47916 860.0 4.073 4.073 3.859 0.000 -0.000 0.000 3/47916 870.0 4.025 4.025 3.813 0.000 -0.000 0.000 3/47916 880.0 3.977 3.977 3.768 0.000 -0.000 0.000 3/47916 890.0 3.930 3.930 3.724 0.000 -0.000 0.000 3/47916 900.0 3.885 3.885 3.681 0.000 -0.000 0.000 3/47916 910.0 3.841 3.841 3.639 0.000 -0.000 0.000 3/47916 920.0 3.797 3.797 3.598 0.000 -0.000 0.000 3/47916 930.0 3.755 3.755 3.559 0.000 -0.000 0.000 3/47916 940.0 3.713 3.713 3.519 0.000 -0.000 0.000 3/47916 950.0 3.673 3.673 3.481 0.000 -0.000 0.000 3/47916 960.0 3.633 3.633 3.444 0.000 -0.000 0.000 3/47916 970.0 3.594 3.594 3.407 0.000 -0.000 0.000 3/47916 980.0 3.556 3.556 3.372 0.000 -0.000 0.000 3/47916 990.0 3.519 3.519 3.336 0.000 -0.000 0.000 3/47916 1000.0 3.483 3.483 3.302 0.000 -0.000 0.000 3/47916Thermal conductivity related properties were written into "kappa-m111111.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-09 00:23:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|